| 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 | 30.8 | Very low | 30.7 | Very low | 233 Ų | 233 | 151.2 Ų | 151.2 | 100% | 1.148 | 79% | 0.792 | S | S | * | * | 0 | 120.8 | 0 | -68.2 | 165.5 | 86.3 | 0 | 0 | 106.5 | |||||
| 2 | T | 33.9 | Very low | 30.3 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 44.8 | 92.2 | 158.4 | 56.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 3 | D | 33 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | 73 | 112.5 | 118 | -46.2 | -35.5 | 0 | 0 | 0 | 123 | |||||
| 4 | S | 28.6 | Very low | 30.2 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | 37.1 | 140.5 | 95.5 | -54.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 5 | Q | 32.4 | Very low | 29.9 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | cis | -155.5 | 143 | 9.8 | -103.5 | 150.4 | 4.5 | 0 | 0 | 108 | ||||
| 6 | I | 32.9 | Very low | 29.9 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | 71 | 118.5 | 84.2 | -59.9 | -179.5 | 0 | 0 | 0 | 117 | |||||
| 7 | L | 27.7 | Very low | 29.7 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 20.6 | 130 | 156.5 | -83.7 | 61.6 | 0 | 0 | 0 | 124.3 | ||||
| 8 | F | 24.3 | Very low | 29.7 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 18.2 | 156.9 | 110.6 | -74.8 | -83.8 | 0 | 0 | 0 | 120.6 | |||||
| 9 | P | 41.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | cis | -146.2 | -159.5 | -46.4 | 39.2 | -17.3 | 0 | 0 | 0 | 114 | ||||
| 10 | I | 25.9 | Very low | 29.9 | Very low | 155 Ų | 155 | 145 Ų | 145 | 80% | 0.795 | 76% | 0.762 | S | S | * | * | trans | 83.7 | 157.3 | 162.6 | -64.2 | 157.3 | 0 | 0 | 0 | 116.4 | ||||
| 11 | M | 26 | Very low | 29.9 | Very low | 168 Ų | 168 | 143 Ų | 143 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | 82.9 | 141.7 | -172.3 | -60.5 | -162.1 | 166.6 | 0 | 0 | 114.7 | ||||
| 12 | T | 26.8 | Very low | 30 | Very low | 105 Ų | 105 | 140 Ų | 140 | 64% | 0.644 | 74% | 0.744 | S | S | * | * | cis | -164.5 | 170.6 | -8.8 | 15.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 13 | I | 32.5 | Very low | 29.8 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | 46 | 106.9 | 141 | -63.9 | 162.9 | 0 | 0 | 0 | 116.8 | ||||
| 14 | K | 26.2 | Very low | 29.6 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | 73.2 | 111.8 | 67.6 | -171 | -175.8 | -174.4 | 179.3 | 0 | 114.2 | |||||
| 15 | G | 25.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | trans | 111.3 | 112.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 16 | H | 30.6 | Very low | 29.4 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | -144.5 | 165.5 | 71.2 | -139 | -86.5 | 0 | 0 | 0 | 115 | |||||
| 17 | E | 27.1 | Very low | 29.2 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | trans | -109.9 | 157.2 | 178.4 | -141.5 | 174.5 | -178.5 | 0 | 0 | 109.9 | ||||
| 18 | M | 29.5 | Very low | 29.4 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | trans | 63.4 | 160.1 | 163.1 | -58.1 | 176.5 | -176.2 | 0 | 0 | 117.7 | ||||
| 19 | D | 30.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | cis | -162.5 | 155.2 | -36.1 | -103.2 | -27 | 0 | 0 | 0 | 108.3 | ||||
| 20 | N | 32.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | trans | 175.9 | 113.6 | 135.5 | -90.7 | -49.9 | 0 | 0 | 0 | 108.2 | ||||
| 21 | T | 30.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 63% | 0.632 | 73% | 0.727 | S | S | * | * | 68.3 | 103 | 71.6 | -55 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 22 | L | 32.5 | Very low | 30.1 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 71% | 0.713 | S | S | * | * | -157.7 | 160.4 | 117.8 | -106.5 | 169.2 | 0 | 0 | 0 | 111.3 | |||||
| 23 | H | 30.1 | Very low | 30.5 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 68% | 0.681 | 72% | 0.716 | S | S | * | * | trans | -102.9 | 158.4 | -167.5 | -103.6 | -79.4 | 0 | 0 | 0 | 112.1 | ||||
| 24 | M | 27.6 | Very low | 30.6 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 67% | 0.665 | 71% | 0.712 | S | S | * | * | trans | 52.8 | 157 | 140.4 | -64.3 | -4 | -153.5 | 0 | 0 | 119.5 | ||||
| 25 | D | 25.7 | Very low | 30.7 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | cis | -162.6 | 129.7 | -25.1 | -102.9 | -27.5 | 0 | 0 | 0 | 103.8 | ||||
| 26 | E | 31.7 | Very low | 31.1 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | trans | -161.1 | 113.3 | 150.3 | -119.5 | 167.3 | -170 | 0 | 0 | 111.8 | ||||
| 27 | S | 29.5 | Very low | 31.5 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | -16.6 | 153.8 | 131.6 | 67.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 28 | V | 31.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 70% | 0.703 | 70% | 0.7 | S | S | * | * | cis | -173.7 | 176.3 | 12.6 | 103.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 29 | D | 32.1 | Very low | 31.5 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 65% | 0.647 | 70% | 0.704 | S | S | * | * | trans | 64 | 115.3 | 162.5 | -76.9 | -1.6 | 0 | 0 | 0 | 118.4 | ||||
| 30 | N | 28.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | 89.4 | 150.3 | 96.6 | -65 | -23.7 | 0 | 0 | 0 | 111.6 | |||||
| 31 | E | 35 | Very low | 31.7 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | cis | -145.2 | 140.9 | 36 | -92.6 | -164.8 | 174.8 | 0 | 0 | 115.1 | ||||
| 32 | N | 37 | Very low | 31.7 | Very low | 100 Ų | 100 | 135 Ų | 135 | 54% | 0.535 | 73% | 0.728 | S | S | . | * | 71.6 | 146.1 | 128.6 | -57.1 | -14.8 | 0 | 0 | 0 | 121.2 | |||||
| 33 | Y | 35.6 | Very low | 31.9 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | cis | -148.4 | 146.3 | -4.3 | -121.9 | -157.3 | 0 | 0 | 0 | 108.5 | ||||
| 34 | I | 33 | Very low | 32.1 | Very low | 135 Ų | 135 | 133 Ų | 133 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | 53.5 | 136.2 | 88.3 | -54.4 | -170.7 | 0 | 0 | 0 | 113.3 | |||||
| 35 | G | 28.2 | Very low | 32.1 | Very low | 59 Ų | 59 | 132.8 Ų | 132.8 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | cis | 128.1 | 147.6 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 36 | D | 35.4 | Very low | 32.7 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | -160.9 | 145 | 178.5 | -96.3 | -47.4 | 0 | 0 | 0 | 107.6 | ||||
| 37 | S | 37.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | cis | -153.9 | 154.3 | -5.1 | -171.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 38 | C | 28 | Very low | 32.3 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | -128.6 | 163.8 | -174.9 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 39 | D | 30.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | 58.9 | 131.6 | 156 | -46.1 | -37.6 | 0 | 0 | 0 | 118 | ||||
| 40 | N | 32.2 | Very low | 32.1 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | -162 | 172.1 | 69.7 | -89.3 | -87.3 | 0 | 0 | 0 | 112.3 | |||||
| 41 | L | 34.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -92 | 159.5 | 169.2 | -63.9 | 166.7 | 0 | 0 | 0 | 110.6 | ||||
| 42 | D | 30 | Very low | 31.9 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | 177 | 166.1 | 117.3 | -89.2 | -19.1 | 0 | 0 | 0 | 112.6 | |||||
| 43 | D | 36.2 | Very low | 31.4 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | 68.8 | 128.1 | 159.8 | -66.4 | -21.6 | 0 | 0 | 0 | 123.8 | ||||
| 44 | D | 35.7 | Very low | 31.1 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | trans | 69.7 | 97.4 | 139.3 | -82.9 | -20.2 | 0 | 0 | 0 | 123.9 | ||||
| 45 | N | 28.1 | Very low | 31 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | 65.6 | 155.9 | 99.8 | -92.9 | -53.6 | 0 | 0 | 0 | 123.2 | |||||
| 46 | I | 37 | Very low | 31.2 | Very low | 141 Ų | 141 | 133 Ų | 133 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | 64.4 | 98 | 153.3 | -66.7 | 159.2 | 0 | 0 | 0 | 116.3 | ||||
| 47 | S | 27.2 | Very low | 31.1 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | 55.6 | 153.7 | 117.4 | 105.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 48 | F | 25.9 | Very low | 30.8 | Very low | 169 Ų | 169 | 131.3 Ų | 131.3 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | cis | -168.6 | 168.9 | -4.9 | -137.7 | -53.6 | 0 | 0 | 0 | 104.1 | ||||
| 49 | T | 28.9 | Very low | 31 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | trans | 61.6 | 151.5 | 153.8 | 56 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 50 | S | 31.1 | Very low | 30.9 | Very low | 59 Ų | 59 | 136 Ų | 136 | 41% | 0.413 | 72% | 0.718 | S | S | . | * | cis | -159 | 144.6 | -18.8 | -105 | 0 | 0 | 0 | 0 | 111.1 | D52 | S50-D52 WeakPolarHBondContact CB-OD1 3.49Å; S50-D52 PolarHBondContact OG-OD1 2.93Å | ||
| 51 | N | 28.8 | Very low | 30.8 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | S | Bend | -149.7 | 118.7 | 95.9 | -83.1 | -24.6 | 0 | 0 | 0 | 109 | |||
| 52 | D | 29 | Very low | 30.6 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 57% | 0.567 | 71% | 0.707 | S | S | * | * | cis | -159.1 | 130.9 | -19 | -157.4 | 17.3 | 0 | 0 | 0 | 109.4 | S50 | S50-D52 WeakPolarHBondContact CB-OD1 3.49Å; S50-D52 PolarHBondContact OG-OD1 2.93Å | ||
| 53 | L | 27.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 70% | 0.702 | S | S | * | * | trans | 58.5 | 167.9 | 173.8 | -84.2 | 71 | 0 | 0 | 0 | 116.8 | ||||
| 54 | S | 28.6 | Very low | 30.4 | Very low | 82 Ų | 82 | 135 Ų | 135 | 57% | 0.573 | 70% | 0.695 | S | S | * | * | cis | -168.3 | 169.6 | -34.4 | -106.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 55 | Q | 32.7 | Very low | 30.3 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | trans | 88.4 | 136.7 | 160.9 | -51.7 | -155.2 | 41.8 | 0 | 0 | 118.9 | ||||
| 56 | K | 31.3 | Very low | 30.5 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | cis | -174 | 159.9 | -23.9 | -125.4 | 177.5 | 180 | -178.6 | 0 | 112 | ||||
| 57 | V | 33.1 | Very low | 30.2 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | 74 | 137.9 | 148.1 | 158.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 58 | N | 31.3 | Very low | 30.5 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | cis | -174 | 163.5 | -33.7 | -119.2 | 35.3 | 0 | 0 | 0 | 113.1 | ||||
| 59 | H | 33 | Very low | 30.7 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 69% | 0.69 | S | S | * | * | trans | 83.8 | 139.2 | 151.3 | -69.4 | -54.3 | 0 | 0 | 0 | 124.3 | ||||
| 60 | H | 27.6 | Very low | 30.8 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | trans | -77.5 | -172.9 | 161.5 | -74.9 | -20.6 | 0 | 0 | 0 | 111 | ||||
| 61 | E | 29.2 | Very low | 30.7 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | cis | -173.6 | 170.9 | 37.3 | -150.7 | 165.9 | -130 | 0 | 0 | 113.5 | ||||
| 62 | H | 30.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 68% | 0.676 | 70% | 0.703 | S | S | * | * | trans | 64.2 | 137.4 | 171.2 | -75.7 | -94.3 | 0 | 0 | 0 | 116.5 | ||||
| 63 | E | 29.5 | Very low | 30.5 | Very low | 143 Ų | 143 | 147 Ų | 147 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | cis | -176.5 | 169.9 | 21.2 | -136.2 | 160.7 | -145.6 | 0 | 0 | 113.6 | ||||
| 64 | H | 33.6 | Very low | 30.6 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | 69.9 | 111.1 | 157.6 | -74.3 | -70.5 | 0 | 0 | 0 | 124.5 | ||||
| 65 | E | 31.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 153.3 Ų | 153.3 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | 75.1 | 126.6 | 131.1 | -70.2 | 168.3 | -157.4 | 0 | 0 | 120.4 | ||||
| 66 | H | 32.5 | Very low | 30.1 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | 67.7 | 136.4 | 59.7 | -67.4 | -51.6 | 0 | 0 | 0 | 112.4 | |||||
| 67 | Q | 32.4 | Very low | 29.8 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | cis | -158.8 | 170.7 | -3.7 | -149 | 37.3 | 44.7 | 0 | 0 | 106.1 | ||||
| 68 | D | 33.1 | Very low | 29.4 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | cis | -150.9 | 175 | 13.6 | -163.1 | 18.4 | 0 | 0 | 0 | 111.8 | ||||
| 69 | T | 30.1 | Very low | 29.1 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 69% | 0.693 | 70% | 0.703 | S | S | * | * | trans | -95.9 | 139.2 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 70 | R | 31.6 | Very low | 29 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -170.5 | 128.4 | 143.7 | -109.9 | -170 | 177.1 | 97.8 | 2.7 | 116.1 | ||||
| 71 | D | 28.3 | Very low | 28.8 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 67% | 0.674 | 70% | 0.702 | S | S | * | * | trans | 47.1 | 136 | 130.8 | -55.1 | -15.7 | 0 | 0 | 0 | 124.5 | ||||
| 72 | Q | 26.8 | Very low | 28.8 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | 79.1 | 126.9 | 147.4 | -74.7 | -178.6 | 20.8 | 0 | 0 | 123.3 | ||||
| 73 | H | 26.4 | Very low | 28.8 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | trans | 64.7 | 167.2 | 142.6 | -81.7 | -70 | 0 | 0 | 0 | 121.6 | ||||
| 74 | Q | 29.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 144.5 Ų | 144.5 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | trans | 66.9 | 145.5 | 175.7 | -68.1 | 179.1 | -4.7 | 0 | 0 | 115.7 | ||||
| 75 | F | 23.6 | Very low | 28.6 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | cis | 75.6 | 50.2 | 14.2 | -135.4 | -51.9 | 0 | 0 | 0 | 115.5 | ||||
| 76 | N | 26.9 | Very low | 28.5 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | -153.3 | 138.3 | 142.7 | -88.4 | -45.2 | 0 | 0 | 0 | 107.1 | ||||
| 77 | V | 25.4 | Very low | 28.3 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 57% | 0.57 | 72% | 0.721 | S | S | * | * | cis | 75.2 | 115.3 | 34.6 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 78 | Q | 24.5 | Very low | 28 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 59% | 0.593 | 72% | 0.72 | S | S | * | * | trans | 66.1 | 156.4 | 169.1 | -66.4 | 171.2 | -6.4 | 0 | 0 | 114.6 | ||||
| 79 | Q | 26.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 53% | 0.533 | 72% | 0.724 | S | S | . | * | cis | -155 | 151.5 | -9.5 | -126 | 164.3 | 39.6 | 0 | 0 | 109 | ||||
| 80 | Q | 29.5 | Very low | 27.9 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 94% | 0.935 | 73% | 0.725 | S | S | * | * | trans | -148.8 | 94.6 | 134.7 | -119.8 | 164.4 | 61.3 | 0 | 0 | 109.9 | ||||
| 81 | Q | 25 | Very low | 28 | Very low | 133 Ų | 133 | 146 Ų | 146 | 62% | 0.621 | 72% | 0.723 | S | S | * | * | trans | -68.9 | 131.9 | 157.2 | -66.6 | 174.7 | -17.1 | 0 | 0 | 107.5 | ||||
| 82 | Q | 27.9 | Very low | 28.3 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | -172.7 | 153.7 | 120.5 | -107.1 | 175.2 | 47.1 | 0 | 0 | 113.6 | |||||
| 83 | N | 31.5 | Very low | 28.4 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | trans | 67.3 | 83.8 | 154.9 | -54.2 | -19.9 | 0 | 0 | 0 | 118.4 | ||||
| 84 | S | 26.5 | Very low | 29.1 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | 52.3 | 134.2 | 117 | -160.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 85 | P | 31.1 | Very low | 29.2 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -64.1 | 154.2 | 159 | 32 | -34.9 | 0 | 0 | 0 | 110.6 | ||||
| 86 | Y | 31.4 | Very low | 29.5 | Very low | 228 Ų | 228 | 135 Ų | 135 | 89% | 0.894 | 71% | 0.709 | S | S | * | * | trans | -97.6 | 158 | 171.9 | -89 | -93.4 | 0 | 0 | 0 | 111.4 | ||||
| 87 | N | 26.5 | Very low | 29.7 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | trans | -134.8 | 155.5 | -176.5 | -151.6 | -6.7 | 0 | 0 | 0 | 109.8 | ||||
| 88 | L | 27.7 | Very low | 29.7 | Very low | 125 Ų | 125 | 138 Ų | 138 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | trans | 74.8 | 138.2 | 179.1 | -83.7 | 66.5 | 0 | 0 | 0 | 119.1 | ||||
| 89 | E | 26.8 | Very low | 29.8 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | trans | 60.4 | 105.8 | 146 | -64.6 | 170.9 | -167 | 0 | 0 | 117.4 | ||||
| 90 | N | 33 | Very low | 29.8 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | -173.4 | 172.2 | 63.6 | -84.6 | -67.4 | 0 | 0 | 0 | 114 | |||||
| 91 | E | 35 | Very low | 29.7 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | 57.9 | 108.5 | 165.1 | -51.7 | -69 | 86 | 0 | 0 | 119.3 | ||||
| 92 | D | 33.5 | Very low | 30 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 56 | 121.5 | 131.3 | -63.4 | 2.9 | 0 | 0 | 0 | 123.4 | ||||
| 93 | G | 28.6 | Very low | 29.8 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -95.8 | -129.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 94 | P | 42.1 | Very low | 29.7 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | cis | -141.8 | -163 | -1.2 | 43.1 | -23.3 | 0 | 0 | 0 | 114 | ||||
| 95 | E | 30.4 | Very low | 29.7 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | 71.4 | 151.4 | 151.3 | -71.4 | 178.8 | -150.1 | 0 | 0 | 120 | ||||
| 96 | T | 29.5 | Very low | 29.5 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | cis | -165.3 | 169.3 | -18.7 | 25.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 97 | H | 31.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 73% | 0.731 | 72% | 0.721 | S | S | * | * | trans | 65.3 | 170.8 | 142.2 | -73.3 | -37.1 | 0 | 0 | 0 | 120.3 | ||||
| 98 | N | 25.6 | Very low | 29.2 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | -167.1 | 155.4 | -53.5 | -114.9 | 13.2 | 0 | 0 | 0 | 109.8 | |||||
| 99 | S | 27.1 | Very low | 29.4 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 58% | 0.58 | 72% | 0.724 | S | S | * | * | trans | 53.5 | 170.6 | 149 | 62.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 100 | D | 26.8 | Very low | 29.5 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | 72.4 | 143.1 | 153.8 | -50.9 | -35.6 | 0 | 0 | 0 | 118.9 | ||||
| 101 | E | 27.1 | Very low | 29.3 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | cis | -156.2 | -155.2 | -18.5 | -141.4 | -161.3 | 165.3 | 0 | 0 | 111.8 | ||||
| 102 | I | 30.5 | Very low | 28.9 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | -64.5 | 159.3 | -179.4 | -72 | 166 | 0 | 0 | 0 | 113.8 | ||||
| 103 | S | 24.6 | Very low | 28.7 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | trans | -42.2 | 142.6 | -179 | -52.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 104 | S | 28.4 | Very low | 28.7 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | 84.1 | 105 | 141.7 | 65.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 105 | N | 26.4 | Very low | 28.3 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | 86.9 | 115.6 | 127.9 | -77.1 | -0.5 | 0 | 0 | 0 | 122.3 | |||||
| 106 | I | 27.5 | Very low | 28.2 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | trans | 98.6 | 99.6 | 143.3 | -58.8 | 156.1 | 0 | 0 | 0 | 118 | ||||
| 107 | N | 26 | Very low | 28.4 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 28.3 | 131.3 | 143.1 | -65.7 | 0.6 | 0 | 0 | 0 | 122.9 | ||||
| 108 | M | 26.1 | Very low | 28.5 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 84% | 0.837 | 73% | 0.727 | S | S | * | * | trans | 70.4 | 149.7 | 137.9 | -88.3 | 145.6 | 166 | 0 | 0 | 118.6 | ||||
| 109 | T | 30.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | cis | -168.8 | 156.6 | -18.1 | 11.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 110 | D | 28.8 | Very low | 29 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -107.3 | 110.1 | 151.3 | -87.4 | -50.3 | 0 | 0 | 0 | 108.3 | ||||
| 111 | I | 30.1 | Very low | 29.3 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | 88.3 | 95.9 | 60.9 | -68.2 | 170.2 | 0 | 0 | 0 | 113.4 | |||||
| 112 | K | 26.9 | Very low | 29.5 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | -173.7 | 142.3 | 118.5 | -94.8 | 169.5 | -173.7 | 171.4 | 0 | 108.1 | |||||
| 113 | M | 28 | Very low | 29.4 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | cis | -150.8 | 173.1 | 9.1 | -121.4 | -35 | -154.1 | 0 | 0 | 111.1 | ||||
| 114 | D | 30 | Very low | 29.5 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | 73 | 104.9 | 153.7 | -56.8 | -24.2 | 0 | 0 | 0 | 122.8 | ||||
| 115 | T | 33.4 | Very low | 29.4 | Very low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 63.2 | 145.5 | 131.2 | 58.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 116 | M | 28.6 | Very low | 29.2 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | cis | -171.2 | 164 | -22.6 | -125.9 | 167.3 | 68.6 | 0 | 0 | 108.3 | ||||
| 117 | E | 32.2 | Very low | 29 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 66.4 | 145 | 160.9 | -68.2 | 167.3 | -180 | 0 | 0 | 117.2 | ||||
| 118 | D | 33.1 | Very low | 29.1 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | cis | -164.4 | 162.9 | -10.5 | -128.3 | -9 | 0 | 0 | 0 | 114.1 | ||||
| 119 | I | 32.9 | Very low | 29 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 65% | 0.651 | 73% | 0.732 | S | S | * | * | trans | 72.1 | 119.5 | 142.6 | -73.7 | 165.3 | 0 | 0 | 0 | 123.5 | ||||
| 120 | E | 31.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | 66 | 151.2 | 144.4 | -73.5 | -170.2 | 150.6 | 0 | 0 | 123 | ||||
| 121 | K | 32.9 | Very low | 28.6 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | cis | -171.8 | 166.7 | -24.6 | -124.3 | -179.2 | -161.4 | 154.1 | 0 | 113.3 | ||||
| 122 | D | 31.1 | Very low | 28.4 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 68 | 157.4 | 150.7 | -60.8 | -14.1 | 0 | 0 | 0 | 122.3 | ||||
| 123 | D | 27.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | trans | -114.1 | 174.3 | -161.1 | -69.8 | -63.6 | 0 | 0 | 0 | 116.1 | ||||
| 124 | N | 26.7 | Very low | 28.5 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | 89.9 | 119.4 | 145.6 | -75.8 | -59.5 | 0 | 0 | 0 | 122.6 | ||||
| 125 | S | 25.6 | Very low | 28.4 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | 91.5 | 129.8 | 134.4 | 80.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 126 | M | 22.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | trans | 54.4 | 134.9 | 141.7 | -87.9 | -66.5 | 177.2 | 0 | 0 | 123.9 | ||||
| 127 | N | 22.9 | Very low | 28.2 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 64.5 | 130 | 158.2 | -61.2 | -47.5 | 0 | 0 | 0 | 119 | ||||
| 128 | T | 29.8 | Very low | 28.2 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | 174.1 | 155.9 | 100.6 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 129 | Y | 22.8 | Very low | 28.2 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -63.3 | 164.1 | 175.8 | -74 | -99 | 0 | 0 | 0 | 116.5 | ||||
| 130 | Q | 25.7 | Very low | 28.1 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | 69.6 | 162.3 | 141.5 | -81.8 | 176.9 | 14.3 | 0 | 0 | 119.2 | ||||
| 131 | V | 26 | Very low | 28.1 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | cis | -162.3 | 160.1 | -38 | 102.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | N | 24.7 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | 2.6 | 130.4 | 163.7 | -50 | -37.5 | 0 | 0 | 0 | 120.9 | ||||
| 133 | S | 29 | Very low | 28.1 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | -174.8 | 127.8 | 111.7 | -82 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 134 | K | 28.9 | Very low | 28.1 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | 63.7 | 136.1 | 76 | -80.1 | -170 | 173.1 | -175.7 | 0 | 113.6 | |||||
| 135 | Q | 27.1 | Very low | 28.1 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | cis | -171.2 | -178.2 | -5.7 | -172.6 | 164.2 | -10.2 | 0 | 0 | 108.1 | ||||
| 136 | Q | 29.7 | Very low | 28.4 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | 78.2 | 153.5 | 170.1 | -58 | -177.9 | -3.8 | 0 | 0 | 115.2 | ||||
| 137 | F | 29.7 | Very low | 28.9 | Very low | 153 Ų | 153 | 137 Ų | 137 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | cis | -157.1 | 148.9 | -16.2 | -109.6 | -49.1 | 0 | 0 | 0 | 104.3 | ||||
| 138 | N | 31.6 | Very low | 29.3 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | cis | -157.6 | 151.1 | 45.8 | -101.2 | -9.4 | 0 | 0 | 0 | 108.3 | ||||
| 139 | D | 32.6 | Very low | 29 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | 61.1 | 132.2 | 74.8 | -75.5 | 9.8 | 0 | 0 | 0 | 113.3 | |||||
| 140 | N | 31.3 | Very low | 29.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | cis | -149.6 | 135.9 | 19.2 | -100.1 | -31 | 0 | 0 | 0 | 112.8 | ||||
| 141 | Q | 32.2 | Very low | 29.4 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | 71.7 | 127.1 | 101.1 | -67.3 | -175.3 | 43.2 | 0 | 0 | 116.3 | |||||
| 142 | S | 27.9 | Very low | 29.5 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | 78.9 | 148.2 | 61 | 109.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 143 | S | 34.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | cis | -144.2 | 166.9 | 44.5 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 144 | N | 29.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | cis | 65.7 | 148.4 | 42.6 | -120.3 | -16 | 0 | 0 | 0 | 111.8 | ||||
| 145 | C | 26.8 | Very low | 29.2 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | cis | -162.3 | -168.5 | 7.6 | -160.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 146 | H | 31.8 | Very low | 29.1 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 65% | 0.648 | 70% | 0.7 | S | S | * | * | 156.3 | 161.2 | 76.3 | -116.6 | 9.3 | 0 | 0 | 0 | 108.3 | |||||
| 147 | R | 32.9 | Very low | 29 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 62% | 0.619 | 71% | 0.706 | S | S | * | * | cis | -172.4 | 148.9 | -13.5 | -143 | -175.1 | -165.9 | -173.6 | 9.3 | 107.2 | L149 | R147-L149 HydrophobicContact CG-CD1 3.83Š| ||
| 148 | Q | 30.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | 168.8 | 154.6 | 82.6 | -80.3 | -136.7 | 38.6 | 0 | 0 | 108.9 | |||||
| 149 | L | 23.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 51% | 0.508 | 72% | 0.717 | S | S | . | * | cis | -168.4 | 148.4 | -25.4 | -152.4 | 77.7 | 0 | 0 | 0 | 109.3 | R147 | R147-L149 HydrophobicContact CG-CD1 3.83Š| ||
| 150 | T | 26.3 | Very low | 28.1 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | 63.9 | 147.8 | 165.7 | 60.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 151 | K | 30.5 | Very low | 27.7 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | cis | -159.6 | 136.5 | -4.3 | -118.3 | 168.1 | -177.5 | 179 | 0 | 110.9 | ||||
| 152 | I | 27.5 | Very low | 27.7 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 43.1 | 133.1 | 132.3 | -58.9 | 177 | 0 | 0 | 0 | 119.4 | ||||
| 153 | N | 26.2 | Very low | 27.5 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | cis | -168.2 | 151.6 | -15.5 | -104.5 | -2.5 | 0 | 0 | 0 | 108.8 | ||||
| 154 | K | 24.5 | Very low | 27.3 | Very low | 202 Ų | 202 | 135.8 Ų | 135.8 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | trans | -167.5 | 127.1 | 156.7 | -122.7 | -174 | -177.6 | -174.5 | 0 | 110.4 | ||||
| 155 | L | 25.4 | Very low | 27.1 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | trans | -169.5 | 173.5 | 155.2 | -134.5 | 72.9 | 0 | 0 | 0 | 110.5 | ||||
| 156 | S | 26 | Very low | 27.1 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 67.8 | 143.9 | -171 | 77.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 157 | N | 27.5 | Very low | 26.9 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | cis | -139.7 | 160.1 | 4.2 | -120.5 | -9.3 | 0 | 0 | 0 | 112.8 | ||||
| 158 | S | 23.5 | Very low | 26.5 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -102.5 | 139.3 | 173 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 159 | S | 26.2 | Very low | 26.3 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -166.9 | 142 | 151.6 | -82.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 160 | T | 25.2 | Very low | 26.3 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -117.7 | 129.6 | -169.5 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 161 | S | 22.5 | Very low | 26.3 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -152.3 | 138.6 | 152.2 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 162 | I | 32.6 | Very low | 26.2 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | trans | -137.2 | 122.9 | 171.7 | -69.9 | -177.1 | 0 | 0 | 0 | 107.6 | ||||
| 163 | S | 23.8 | Very low | 26.3 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -87.7 | 154.7 | 165 | 48.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 164 | T | 30.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 65% | 0.65 | 82% | 0.822 | S | S | * | * | trans | -129.7 | 123.9 | 172.7 | 43 | 0 | 0 | 0 | 0 | 110.3 | K394 | T164-K394 PolarHBondContact OG1-NZ 3.31Š| ||
| 165 | S | 25.7 | Very low | 26.4 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -116.7 | 154.9 | 167.9 | 51.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 166 | T | 26.8 | Very low | 26.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 147.8 | -172.1 | 42.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 167 | N | 27.2 | Very low | 27.2 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -157.2 | 153 | 145.7 | -118.9 | -34.8 | 0 | 0 | 0 | 111.5 | ||||
| 168 | T | 24.7 | Very low | 28.8 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -101.8 | 138.5 | -167.8 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 169 | T | 25.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | trans | -161.6 | 146.7 | 148.2 | -1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 170 | T | 24 | Very low | 34.4 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | trans | -100.6 | 127.5 | -172.1 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 171 | T | 26.7 | Very low | 37.5 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 83% | 0.828 | 71% | 0.706 | S | S | * | * | trans | -134.3 | 93.9 | 162.2 | 57.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 172 | T | 27.8 | Very low | 40.8 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | trans | -78 | 139.3 | 171.9 | 50.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 173 | K | 29.5 | Very low | 43.5 | Very low | 199 Ų | 199 | 116.1 Ų | 116.1 | 87% | 0.865 | 67% | 0.669 | S | S | * | * | trans | -112.5 | 120.5 | 177.5 | -86.1 | -179.6 | 177.1 | 170.7 | 0 | 112.5 | ||||
| 174 | A | 26.4 | Very low | 46.8 | Very low | 106 Ų | 106 | 112.4 Ų | 112.4 | 88% | 0.876 | 64% | 0.638 | S | S | * | * | trans | 58.6 | 68.3 | 152 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 175 | C | 26.5 | Very low | 49.9 | Very low | 101 Ų | 101 | 107.6 Ų | 107.6 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | trans | -96.3 | 166.1 | 150.1 | -171.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 176 | A | 30.5 | Very low | 53 | Low | 83 Ų | 83 | 105.3 Ų | 105.3 | 69% | 0.686 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -52.2 | 146.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K178 | A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.18Å |
| 177 | K | 39.6 | Very low | 56 | Low | 221 Ų | 221 | 100.9 Ų | 100.9 | 96% | 0.961 | 55% | 0.554 | S | S | * | * | trans | -39.5 | 72.6 | -167.4 | -62.6 | 168.4 | -176.5 | 160.4 | 0 | 116.9 | ||||
| 178 | K | 60.5 | Low | 58.6 | Low | 160 Ų | 160 | 93.7 Ų | 93.7 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | trans | -60.9 | 143.8 | 166.5 | -69.5 | -177.6 | -178.4 | 179.1 | 0 | 109.7 | A176 | A176-K178 VanDerWaalsContact C-N 3.33Å; A176-K178 PolarHBondContact O-N 3.18Å | ||
| 179 | S | 78.6 | Confident | 61.2 | Low | 36 Ų | 36 | 94.9 Ų | 94.9 | 25% | 0.252 | 51% | 0.513 | S | S | . | . | trans | -62.1 | 145.1 | 175.9 | -170.3 | 0 | 0 | 0 | 0 | 110.6 | V181 W182 | S179-V181 PolarHBondContact O-N 2.94Å; S179-W182 PolarHBondContact O-N 3Å | ||
| 180 | F | 89 | Confident | 63.1 | Low | 24 Ų | 24 | 92.5 Ų | 92.5 | 11% | 0.105 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -54.4 | -26 | 178.5 | 80.9 | -77.7 | 0 | 0 | 0 | 113.2 | W182 K183 Y184 L221 L224 E235 | F180-W182 PolarHBondContact O-N 3.36Å; F180-K183 WeakPolarHBondContact O-CB 3.08Å; F180-K183 PolarHBondContact O-N 2.82Å; F180-Y184 HydrophobicContact CD2-CE2 4.19Å; F180-L221 HydrophobicContact CE1-CD1 3.87Å; F180-L221 HydrophobicContact CZ-CD1 3.57Å; F180-L224 HydrophobicContact CE2-CD1 4.18Å; F180-E235 HydrophobicContact CB-CG 4.19Å; F180-E235 HydrophobicContact CD2-CB 3.78Å; F180-E235 HydrophobicContact CD2-CG 3.52Å; F180-E235 HydrophobicContact CE2-CB 3.83Å; F180-E235 HydrophobicContact CE2-CG 4.11Å; F180-E235 HydrophobicContact CG-CG 4.04Å |
| 181 | V | 89.5 | Confident | 64.2 | Low | 0 Ų | 0 | 95.2 Ų | 95.2 | 0% | 0 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -49.8 | -41.1 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | S179 K183 Y184 F185 M220 L221 L224 | S179-V181 PolarHBondContact O-N 2.94Å; V181-K183 PolarHBondContact O-N 3.26Å; V181-Y184 PolarHBondContact O-N 2.92Å; V181-F185 HydrophobicContact CG1-CD2 3.71Å; V181-F185 HydrophobicContact CG1-CE2 3.76Å; V181-F185 WeakPolarHBondContact O-CD2 3.47Å; V181-M220 HydrophobicContact CG1-CB 3.27Å; V181-M220 HydrophobicContact CG1-CE 4.33Å; V181-M220 HydrophobicContact CG1-CG 4.37Å; V181-M220 HydrophobicContact CG1-SD 4.32Å; V181-L221 HydrophobicContact CG2-CB 4Å; V181-L221 HydrophobicContact CG2-CD1 4.02Å; V181-L224 HydrophobicContact CB-CD1 4.36Å; V181-L224 HydrophobicContact CG1-CD1 4.11Å; V181-L224 HydrophobicContact CG2-CD1 4.27Å |
| 182 | W | 91.4 | Very high | 65.4 | Low | 72 Ų | 72 | 97.5 Ų | 97.5 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -64.2 | -7.9 | 177.7 | -68.4 | 113.5 | 0 | 0 | 0 | 115.4 | S179 F180 Y184 F185 H187 T200 F211 M220 | S179-W182 PolarHBondContact O-N 3Å; F180-W182 PolarHBondContact O-N 3.36Å; W182-Y184 PolarHBondContact O-N 3.49Å; W182-F185 HydrophobicContact CE3-CB 4.33Å; W182-H187 AromaticContact CH2-CE1 3.99Å; W182-T200 HydrophobicContact CH2-CG2 3.79Å; W182-T200 HydrophobicContact CZ3-CG2 3.77Å; W182-F211 HydrophobicContact CH2-CD2 4.19Å; W182-F211 AromaticContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CZ 4.22Å; W182-F211 AromaticContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CZ 4.15Å; W182-M220 HydrophobicContact CD2-CE 4.35Å; W182-M220 HydrophobicContact CE3-SD 4.26Å; W182-M220 HydrophobicContact CH2-CE 3.9Å; W182-M220 HydrophobicContact CH2-SD 4.07Å; W182-M220 HydrophobicContact CZ2-CE 3.67Å; W182-M220 HydrophobicContact CZ2-SD 4.4Å; W182-M220 HydrophobicContact CZ3-CE 4.32Å; W182-M220 HydrophobicContact CZ3-SD 3.99Å |
| 183 | K | 90.6 | Very high | 67 | Low | 125 Ų | 125 | 93.1 Ų | 93.1 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -70.5 | -14.1 | 168 | -162.6 | -173.7 | -177.2 | -164 | 0 | 112.1 | F180 V181 E235 | F180-K183 WeakPolarHBondContact O-CB 3.08Å; F180-K183 PolarHBondContact O-N 2.82Å; V181-K183 PolarHBondContact O-N 3.26Å; K183-E235 WeakPolarHBondContact CD-OE1 3.48Å; K183-E235 VanDerWaalsContact NZ-CD 3.27Å; K183-E235 IonicContact NZ-OE1 2.72Å; K183-E235 PolarHBondContact NZ-OE1 3.37Å; K183-E235 IonicContact NZ-OE2 3.89Å; K183-E235 PolarHBondContact NZ-OE2 3.1Å |
| 184 | Y | 93.3 | Very high | 68.1 | Low | 33 Ų | 33 | 87.2 Ų | 87.2 | 13% | 0.129 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -129.3 | 9.3 | -174.8 | -51.9 | -71 | 0 | 0 | 0 | 113.5 | F180 V181 W182 C202 V203 L204 L224 I231 | F180-Y184 HydrophobicContact CD2-CE2 4.19Å; V181-Y184 PolarHBondContact O-N 2.92Å; W182-Y184 PolarHBondContact O-N 3.49Å; Y184-C202 WeakPolarHBondContact O-CA 3.21Å; Y184-C202 PolarHBondContact O-SG 2.92Å; Y184-V203 PolarHBondContact O-N 3.23Å; Y184-V203 VanDerWaalsContact O-N 3.09Å; Y184-L204 HydrophobicContact CD1-CD1 3.73Å; Y184-L204 HydrophobicContact CD1-CD2 4.19Å; Y184-L204 HydrophobicContact CD1-CG 4.15Å; Y184-L204 HydrophobicContact CG-CD1 4.04Å; Y184-L224 HydrophobicContact CD2-CD1 3.92Å; Y184-L224 HydrophobicContact CD2-CD2 3.97Å; Y184-L224 HydrophobicContact CG-CD2 4.13Å; Y184-I231 HydrophobicContact CD1-CG2 4.15Å; Y184-I231 HydrophobicContact CD2-CG2 4.42Å; Y184-I231 HydrophobicContact CE1-CG2 3.59Å; Y184-I231 HydrophobicContact CE2-CG2 3.87Å; Y184-I231 VanDerWaalsContact CZ-CG2 3.42Å |
| 185 | F | 93.8 | Very high | 70.4 | Confident | 6 Ų | 6 | 84.7 Ų | 84.7 | 3% | 0.026 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.5 | 174.9 | -63.8 | -96.8 | 0 | 0 | 0 | 111.8 | V181 W182 Q201 C202 L209 M220 H223 L224 | V181-F185 HydrophobicContact CG1-CD2 3.71Å; V181-F185 HydrophobicContact CG1-CE2 3.76Å; V181-F185 WeakPolarHBondContact O-CD2 3.47Å; W182-F185 HydrophobicContact CE3-CB 4.33Å; F185-Q201 CarbonylContact C-O 3.56Å; F185-Q201 WeakPolarHBondContact CA-O 3.33Å; F185-C202 HydrophobicContact CD1-CB 3.75Å; F185-C202 HydrophobicContact CE1-CB 3.41Å; F185-C202 VanDerWaalsContact CE1-CB 3.41Å; F185-C202 HydrophobicContact CZ-CB 4.03Å; F185-L209 HydrophobicContact CD1-CD1 4.24Å; F185-L209 HydrophobicContact CE1-CD1 3.53Å; F185-L209 HydrophobicContact CZ-CD1 4.46Å; F185-M220 HydrophobicContact CB-SD 3.8Å; F185-M220 HydrophobicContact CD1-CB 4.26Å; F185-M220 HydrophobicContact CD1-CG 3.83Å; F185-M220 HydrophobicContact CD1-SD 4.14Å; F185-M220 HydrophobicContact CD2-CB 3.82Å; F185-M220 HydrophobicContact CD2-CG 4.11Å; F185-M220 HydrophobicContact CD2-SD 4.11Å; F185-M220 HydrophobicContact CE1-CB 4.06Å; F185-M220 HydrophobicContact CE1-CG 3.97Å; F185-M220 HydrophobicContact CE2-CB 3.62Å; F185-M220 HydrophobicContact CE2-CG 4.25Å; F185-M220 WeakPolarHBondContact CE2-O 3.21Å; F185-M220 HydrophobicContact CG-CB 4.16Å; F185-M220 HydrophobicContact CG-CG 3.92Å; F185-M220 HydrophobicContact CG-SD 3.75Å; F185-M220 HydrophobicContact CZ-CB 3.74Å; F185-M220 HydrophobicContact CZ-CG 4.18Å; F185-M220 VanDerWaalsContact CZ-O 3.29Å; F185-M220 WeakPolarHBondContact CZ-O 3.17Å; F185-H223 HydrophobicContact CE1-CB 4.44Å; F185-H223 AromaticContact CE1-CD2 3.87Å; F185-H223 HydrophobicContact CZ-CB 4.03Å; F185-H223 AromaticContact CZ-CD2 3.6Å; F185-L224 HydrophobicContact CE2-CD1 3.9Å; F185-L224 HydrophobicContact CE2-CG 3.9Å; F185-L224 HydrophobicContact CZ-CG 4.44Å |
| 186 | H | 90.7 | Very high | 72.9 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 34% | 0.338 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 177.9 | 167.7 | 64.7 | 99.7 | 0 | 0 | 0 | 110.4 | T200 Q201 | H186-T200 CarbonylContact O-C 3.52Å; H186-T200 VanDerWaalsContact O-CA 3.3Å; H186-T200 WeakPolarHBondContact O-CA 3.42Å; H186-Q201 PolarHBondContact N-O 3.19Å; H186-Q201 PolarHBondContact O-N 2.79Å |
| 187 | H | 90.4 | Very high | 75.3 | Confident | 41 Ų | 41 | 83.8 Ų | 83.8 | 19% | 0.19 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 136.9 | 162.1 | -66.9 | -45.2 | 0 | 0 | 0 | 108 | W182 P195 R199 | W182-H187 AromaticContact CH2-CE1 3.99Å; H187-P195 HydrophobicContact CB-CB 3.62Å; H187-R199 PolarHBondContact ND1-O 3.27Å |
| 188 | P | 81.3 | Confident | 77.2 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 10% | 0.104 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 144.3 | 171.9 | 29.1 | -31.1 | 0 | 0 | 0 | 110 | D196 R199 | P188-D196 HydrophobicContact CG-CB 4.23Å; P188-D196 WeakPolarHBondContact O-CB 3.17Å; P188-D196 PolarHBondContact O-N 2.93Å; P188-R199 HydrophobicContact CG-CB 4.12Å |
| 189 | E | 80.4 | Confident | 78.3 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 70% | 0.696 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 137.8 | 179.3 | -72.1 | 171.1 | -155.4 | 0 | 0 | 111.7 | ||
| 190 | I | 65.1 | Low | 78.8 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 154.9 | 165 | -53.2 | 178.2 | 0 | 0 | 0 | 107.2 | H192 G193 I194 D196 | I190-H192 PolarHBondContact O-N 2.79Å; I190-G193 PolarHBondContact O-N 2.82Å; I190-I194 PolarHBondContact N-O 2.91Å; I190-I194 PolarHBondContact O-N 3.18Å; I190-D196 HydrophobicContact CD1-CB 3.98Å; I190-D196 HydrophobicContact CG1-CB 3.99Å |
| 191 | K | 46.6 | Very low | 79 | Confident | 186 Ų | 186 | 73.2 Ų | 73.2 | 81% | 0.809 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44 | 134.5 | 176.2 | -70.4 | -172.8 | 174.6 | -173.3 | 0 | 111 | ||
| 192 | H | 51.9 | Low | 79.3 | Confident | 183 Ų | 183 | 73.2 Ų | 73.2 | 85% | 0.847 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 20.4 | -168.7 | -40.9 | 98.1 | 0 | 0 | 0 | 116.2 | I190 I194 | I190-H192 PolarHBondContact O-N 2.79Å; H192-I194 VanDerWaalsContact C-N 3.33Å; H192-I194 PolarHBondContact O-N 3.48Å |
| 193 | G | 61.1 | Low | 79.4 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 12.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I190 P195 | I190-G193 PolarHBondContact O-N 2.82Å; G193-P195 WeakPolarHBondContact O-CD 3.16Å |
| 194 | I | 53.9 | Low | 79.5 | Confident | 74 Ų | 74 | 71 Ų | 71 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118 | -178.6 | -57.2 | 175.9 | 0 | 0 | 0 | 109.1 | I190 H192 D196 | I190-I194 PolarHBondContact N-O 2.91Å; I190-I194 PolarHBondContact O-N 3.18Å; H192-I194 VanDerWaalsContact C-N 3.33Å; H192-I194 PolarHBondContact O-N 3.48Å; I194-D196 PolarHBondContact O-N 2.84Å |
| 195 | P | 74.2 | Confident | 79.5 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 34% | 0.344 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.2 | -178.1 | 24.2 | -31.9 | 0 | 0 | 0 | 113.4 | H187 G193 R197 | H187-P195 HydrophobicContact CB-CB 3.62Å; G193-P195 WeakPolarHBondContact O-CD 3.16Å; P195-R197 PolarHBondContact O-N 3.46Å |
| 196 | D | 78.1 | Confident | 79.4 | Confident | 31 Ų | 31 | 76.2 Ų | 76.2 | 17% | 0.166 | 39% | 0.386 | C | S | . | . | trans | -65.2 | 98.3 | 175.1 | 178.6 | 11.2 | 0 | 0 | 0 | 111.4 | P188 I190 I194 S198 R199 | P188-D196 HydrophobicContact CG-CB 4.23Å; P188-D196 WeakPolarHBondContact O-CB 3.17Å; P188-D196 PolarHBondContact O-N 2.93Å; I190-D196 HydrophobicContact CD1-CB 3.98Å; I190-D196 HydrophobicContact CG1-CB 3.99Å; I194-D196 PolarHBondContact O-N 2.84Å; D196-S198 VanDerWaalsContact CG-OG 3.24Å; D196-S198 PolarHBondContact O-N 2.92Å; D196-S198 WeakPolarHBondContact OD1-CA 3.19Å; D196-S198 WeakPolarHBondContact OD1-CB 3.2Å; D196-S198 PolarHBondContact OD1-N 2.76Å; D196-S198 PolarHBondContact OD1-OG 3.42Å; D196-S198 PolarHBondContact OD2-OG 2.79Å; D196-S198 VanDerWaalsContact OD2-OG 3.08Å; D196-R199 PolarHBondContact O-N 3.28Å; D196-R199 WeakPolarHBondContact OD2-CD 3.12Å; D196-R199 VanDerWaalsContact OD2-CG 3.27Å; D196-R199 WeakPolarHBondContact OD2-CG 3.31Å; D196-R199 IonicContact OD2-NE 2.68Å; D196-R199 PolarHBondContact OD2-NE 2.71Å | ||
| 197 | R | 80.9 | Confident | 79.3 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -2.8 | 176.6 | -65.3 | -173.1 | 177.9 | -165.3 | 0.3 | 114.2 | P195 R199 F211 | P195-R197 PolarHBondContact O-N 3.46Å; R197-R199 VanDerWaalsContact C-N 3.35Å; R197-F211 VanDerWaalsContact O-CD1 3.3Å; R197-F211 WeakPolarHBondContact O-CD1 3.34Å |
| 198 | S | 80.1 | Confident | 79.3 | Confident | 64 Ų | 64 | 76.8 Ų | 76.8 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.1 | 170 | 81 | 0 | 0 | 0 | 0 | 112.9 | D196 F211 | D196-S198 VanDerWaalsContact CG-OG 3.24Å; D196-S198 PolarHBondContact O-N 2.92Å; D196-S198 WeakPolarHBondContact OD1-CA 3.19Å; D196-S198 WeakPolarHBondContact OD1-CB 3.2Å; D196-S198 PolarHBondContact OD1-N 2.76Å; D196-S198 PolarHBondContact OD1-OG 3.42Å; D196-S198 PolarHBondContact OD2-OG 2.79Å; D196-S198 VanDerWaalsContact OD2-OG 3.08Å; S198-F211 PolarHBondContact O-N 3.27Å |
| 199 | R | 83.6 | Confident | 79.6 | Confident | 122 Ų | 122 | 77.8 Ų | 77.8 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.2 | -175 | -62.5 | 177.7 | -161.4 | -127.1 | -4.7 | 112.6 | H187 P188 D196 R197 L209 | H187-R199 PolarHBondContact ND1-O 3.27Å; P188-R199 HydrophobicContact CG-CB 4.12Å; D196-R199 PolarHBondContact O-N 3.28Å; D196-R199 WeakPolarHBondContact OD2-CD 3.12Å; D196-R199 VanDerWaalsContact OD2-CG 3.27Å; D196-R199 WeakPolarHBondContact OD2-CG 3.31Å; D196-R199 IonicContact OD2-NE 2.68Å; D196-R199 PolarHBondContact OD2-NE 2.71Å; R197-R199 VanDerWaalsContact C-N 3.35Å; R199-L209 CarbonylContact C-O 3.36Å; R199-L209 WeakPolarHBondContact CA-O 3.27Å |
| 200 | T | 90.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 120 | 174.4 | 34.7 | 0 | 0 | 0 | 0 | 109 | W182 H186 Q208 L209 F211 M220 | W182-T200 HydrophobicContact CH2-CG2 3.79Å; W182-T200 HydrophobicContact CZ3-CG2 3.77Å; H186-T200 CarbonylContact O-C 3.52Å; H186-T200 VanDerWaalsContact O-CA 3.3Å; H186-T200 WeakPolarHBondContact O-CA 3.42Å; T200-Q208 CarbonylContact O-C 3.46Å; T200-Q208 WeakPolarHBondContact O-CA 3.46Å; T200-L209 PolarHBondContact N-O 2.86Å; T200-L209 PolarHBondContact O-N 3.06Å; T200-L209 PolarHBondContact OG1-O 3.1Å; T200-F211 HydrophobicContact CG2-CB 4.17Å; T200-F211 HydrophobicContact CG2-CD2 3.58Å; T200-F211 HydrophobicContact CG2-CE2 4.35Å; T200-F211 HydrophobicContact CG2-CG 4.15Å; T200-M220 HydrophobicContact CG2-SD 3.8Å |
| 201 | Q | 91.6 | Very high | 80.5 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 15% | 0.154 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.4 | -179.1 | -177.9 | 159.7 | -30.1 | 0 | 0 | 109.5 | F185 H186 D206 Q208 | F185-Q201 CarbonylContact C-O 3.56Å; F185-Q201 WeakPolarHBondContact CA-O 3.33Å; H186-Q201 PolarHBondContact N-O 3.19Å; H186-Q201 PolarHBondContact O-N 2.79Å; Q201-D206 PolarHBondContact NE2-OD1 3.15Å; Q201-Q208 HydrophobicContact CB-CG 4.24Å; Q201-Q208 HydrophobicContact CG-CG 4.41Å |
| 202 | C | 95.6 | Very high | 81.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.2 | 173.9 | -165.3 | 0 | 0 | 0 | 0 | 110.4 | Y184 F185 L204 C205 D206 S207 | Y184-C202 WeakPolarHBondContact O-CA 3.21Å; Y184-C202 PolarHBondContact O-SG 2.92Å; F185-C202 HydrophobicContact CD1-CB 3.75Å; F185-C202 HydrophobicContact CE1-CB 3.41Å; F185-C202 VanDerWaalsContact CE1-CB 3.41Å; F185-C202 HydrophobicContact CZ-CB 4.03Å; C202-L204 PolarHBondContact O-N 3.07Å; C202-C205 PolarHBondContact O-N 3Å; C202-D206 VanDerWaalsContact O-CA 3.26Å; C202-D206 WeakPolarHBondContact O-CA 3.35Å; C202-D206 PolarHBondContact O-N 3.17Å; C202-S207 PolarHBondContact N-O 3.43Å; C202-S207 VanDerWaalsContact N-O 3.17Å |
| 203 | V | 93.2 | Very high | 81.8 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -2.8 | -179.8 | -129.4 | 0 | 0 | 0 | 0 | 113.6 | Y184 | Y184-V203 PolarHBondContact O-N 3.23Å; Y184-V203 VanDerWaalsContact O-N 3.09Å |
| 204 | L | 92.9 | Very high | 81.9 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -12.2 | -176.9 | -59.2 | 171.7 | 0 | 0 | 0 | 113.5 | Y184 C202 L224 H228 I231 | Y184-L204 HydrophobicContact CD1-CD1 3.73Å; Y184-L204 HydrophobicContact CD1-CD2 4.19Å; Y184-L204 HydrophobicContact CD1-CG 4.15Å; Y184-L204 HydrophobicContact CG-CD1 4.04Å; C202-L204 PolarHBondContact O-N 3.07Å; L204-L224 HydrophobicContact CD1-CD2 4.11Å; L204-H228 WeakPolarHBondContact CB-CE1 3.31Å; L204-H228 WeakPolarHBondContact CB-NE2 3.31Å; L204-H228 HydrophobicContact CD1-CB 4.04Å; L204-H228 PolarHBondContact O-CE1 2.87Å; L204-H228 VanDerWaalsContact O-CE1 3.3Å; L204-I231 HydrophobicContact CD1-CD1 3.73Å; L204-I231 HydrophobicContact CD1-CG2 4.33Å; L204-I231 HydrophobicContact CD2-CD1 3.97Å; L204-I231 HydrophobicContact CG-CD1 4.46Å |
| 205 | C | 93.9 | Very high | 82.2 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 31% | 0.311 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -163.2 | 20.5 | 176.9 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | C202 S207 H223 H228 | C202-C205 PolarHBondContact O-N 3Å; C205-S207 PolarHBondContact O-N 3.41Å; C205-S207 PolarHBondContact O-OG 2.86Å; C205-S207 PolarHBondContact SG-OG 3.39Å; C205-H223 PolarHBondContact SG-NE2 3.39Å; C205-H228 PolarHBondContact SG-NE2 3.12Å |
| 206 | D | 91.7 | Very high | 82.1 | Confident | 101 Ų | 101 | 63 Ų | 63 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | trans | 49.1 | 13.9 | -179.7 | -63.6 | -61.4 | 0 | 0 | 0 | 117.1 | Q201 C202 Q208 | Q201-D206 PolarHBondContact NE2-OD1 3.15Å; C202-D206 VanDerWaalsContact O-CA 3.26Å; C202-D206 WeakPolarHBondContact O-CA 3.35Å; C202-D206 PolarHBondContact O-N 3.17Å; D206-Q208 PolarHBondContact O-N 3.33Å; D206-Q208 VanDerWaalsContact O-N 3.13Å | ||
| 207 | S | 89.3 | Confident | 82.6 | Confident | 30 Ų | 30 | 63 Ų | 63 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | trans | -70.9 | 111.9 | -177.9 | -69.8 | 0 | 0 | 0 | 0 | 110.3 | C202 C205 H223 R227 | C202-S207 PolarHBondContact N-O 3.43Å; C202-S207 VanDerWaalsContact N-O 3.17Å; C205-S207 PolarHBondContact O-N 3.41Å; C205-S207 PolarHBondContact O-OG 2.86Å; C205-S207 PolarHBondContact SG-OG 3.39Å; S207-H223 WeakPolarHBondContact CB-CE1 3.29Å; S207-R227 PolarHBondContact OG-NH1 3.46Å | ||
| 208 | Q | 90.4 | Very high | 82.9 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.3 | 172.9 | -65.6 | -173.4 | -2 | 0 | 0 | 111.4 | T200 Q201 D206 | T200-Q208 CarbonylContact O-C 3.46Å; T200-Q208 WeakPolarHBondContact O-CA 3.46Å; Q201-Q208 HydrophobicContact CB-CG 4.24Å; Q201-Q208 HydrophobicContact CG-CG 4.41Å; D206-Q208 PolarHBondContact O-N 3.33Å; D206-Q208 VanDerWaalsContact O-N 3.13Å |
| 209 | L | 88 | Confident | 83.3 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.199 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139 | 171.5 | -60.6 | 109.2 | 0 | 0 | 0 | 110.4 | F185 R199 T200 F211 H223 | F185-L209 HydrophobicContact CD1-CD1 4.24Å; F185-L209 HydrophobicContact CE1-CD1 3.53Å; F185-L209 HydrophobicContact CZ-CD1 4.46Å; R199-L209 CarbonylContact C-O 3.36Å; R199-L209 WeakPolarHBondContact CA-O 3.27Å; T200-L209 PolarHBondContact N-O 2.86Å; T200-L209 PolarHBondContact O-N 3.06Å; T200-L209 PolarHBondContact OG1-O 3.1Å; L209-F211 PolarHBondContact O-N 3.5Å; L209-H223 HydrophobicContact CD1-CB 4.08Å; L209-H223 HydrophobicContact CD2-CB 3.92Å |
| 210 | A | 82.8 | Confident | 83.7 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 60% | 0.595 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 127.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 211 | F | 80.4 | Confident | 83.7 | Confident | 47 Ų | 47 | 55 Ų | 55 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 116.7 | 178.4 | -172.9 | -102.4 | 0 | 0 | 0 | 110.2 | W182 R197 S198 T200 L209 M220 | W182-F211 HydrophobicContact CH2-CD2 4.19Å; W182-F211 AromaticContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CE2 3.61Å; W182-F211 HydrophobicContact CH2-CZ 4.22Å; W182-F211 AromaticContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CE2 3.7Å; W182-F211 HydrophobicContact CZ2-CZ 4.15Å; R197-F211 VanDerWaalsContact O-CD1 3.3Å; R197-F211 WeakPolarHBondContact O-CD1 3.34Å; S198-F211 PolarHBondContact O-N 3.27Å; T200-F211 HydrophobicContact CG2-CB 4.17Å; T200-F211 HydrophobicContact CG2-CD2 3.58Å; T200-F211 HydrophobicContact CG2-CE2 4.35Å; T200-F211 HydrophobicContact CG2-CG 4.15Å; L209-F211 PolarHBondContact O-N 3.5Å; F211-M220 HydrophobicContact CE2-CE 4.28Å |
| 212 | N | 65.6 | Low | 83.8 | Confident | 66 Ų | 66 | 58 Ų | 58 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 125.7 | 174.1 | -53.3 | -23 | 0 | 0 | 0 | 108.6 | S214 G215 | N212-S214 PolarHBondContact O-N 2.94Å; N212-G215 PolarHBondContact O-N 3.26Å |
| 213 | A | 61 | Low | 83.7 | Confident | 104 Ų | 104 | 58.7 Ų | 58.7 | 86% | 0.86 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -15 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G215 | A213-G215 PolarHBondContact O-N 3.34Š|
| 214 | S | 61.7 | Low | 83.7 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 0.9 | 172.6 | -46.4 | 0 | 0 | 0 | 0 | 116.1 | N212 T216 | N212-S214 PolarHBondContact O-N 2.94Å; S214-T216 PolarHBondContact O-N 3.38Å |
| 215 | G | 60.9 | Low | 83.8 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | trans | 67 | -2.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | N212 A213 T217 | N212-G215 PolarHBondContact O-N 3.26Å; A213-G215 PolarHBondContact O-N 3.34Å; G215-T217 PolarHBondContact O-N 3.22Å | ||
| 216 | T | 72.1 | Confident | 83.7 | Confident | 68 Ų | 68 | 59.6 Ų | 59.6 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | trans | -74.3 | 108.2 | -175.1 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | S214 T218 | S214-T216 PolarHBondContact O-N 3.38Å; T216-T218 PolarHBondContact O-N 3.32Å | ||
| 217 | T | 89 | Confident | 83.7 | Confident | 31 Ų | 31 | 62 Ų | 62 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 8.3 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 115.3 | G215 T219 M220 L221 | G215-T217 PolarHBondContact O-N 3.22Å; T217-T219 PolarHBondContact O-N 3.27Å; T217-M220 HydrophobicContact CG2-CE 3.75Å; T217-M220 PolarHBondContact O-N 3.26Å; T217-L221 WeakPolarHBondContact O-CB 3.12Å; T217-L221 PolarHBondContact O-N 2.7Å |
| 218 | T | 86.8 | Confident | 84 | Confident | 77 Ų | 77 | 62 Ų | 62 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.5 | -35.9 | -175 | -41.1 | 0 | 0 | 0 | 0 | 113.8 | T216 N222 | T216-T218 PolarHBondContact O-N 3.32Å; T218-N222 WeakPolarHBondContact O-CB 3.46Å; T218-N222 PolarHBondContact O-N 3.07Å; T218-N222 PolarHBondContact O-OD1 2.76Å |
| 219 | T | 88 | Confident | 83.9 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 17% | 0.172 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 177.2 | 37.9 | 0 | 0 | 0 | 0 | 111.4 | T217 N222 H223 | T217-T219 PolarHBondContact O-N 3.27Å; T219-N222 PolarHBondContact O-N 2.89Å; T219-H223 PolarHBondContact O-N 3.38Å |
| 220 | M | 91.8 | Very high | 84 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 175.7 | -67.5 | 178.8 | -68.6 | 0 | 0 | 112.3 | V181 W182 F185 T200 F211 T217 H223 L224 | V181-M220 HydrophobicContact CG1-CB 3.27Å; V181-M220 HydrophobicContact CG1-CE 4.33Å; V181-M220 HydrophobicContact CG1-CG 4.37Å; V181-M220 HydrophobicContact CG1-SD 4.32Å; W182-M220 HydrophobicContact CD2-CE 4.35Å; W182-M220 HydrophobicContact CE3-SD 4.26Å; W182-M220 HydrophobicContact CH2-CE 3.9Å; W182-M220 HydrophobicContact CH2-SD 4.07Å; W182-M220 HydrophobicContact CZ2-CE 3.67Å; W182-M220 HydrophobicContact CZ2-SD 4.4Å; W182-M220 HydrophobicContact CZ3-CE 4.32Å; W182-M220 HydrophobicContact CZ3-SD 3.99Å; F185-M220 HydrophobicContact CB-SD 3.8Å; F185-M220 HydrophobicContact CD1-CB 4.26Å; F185-M220 HydrophobicContact CD1-CG 3.83Å; F185-M220 HydrophobicContact CD1-SD 4.14Å; F185-M220 HydrophobicContact CD2-CB 3.82Å; F185-M220 HydrophobicContact CD2-CG 4.11Å; F185-M220 HydrophobicContact CD2-SD 4.11Å; F185-M220 HydrophobicContact CE1-CB 4.06Å; F185-M220 HydrophobicContact CE1-CG 3.97Å; F185-M220 HydrophobicContact CE2-CB 3.62Å; F185-M220 HydrophobicContact CE2-CG 4.25Å; F185-M220 WeakPolarHBondContact CE2-O 3.21Å; F185-M220 HydrophobicContact CG-CB 4.16Å; F185-M220 HydrophobicContact CG-CG 3.92Å; F185-M220 HydrophobicContact CG-SD 3.75Å; F185-M220 HydrophobicContact CZ-CB 3.74Å; F185-M220 HydrophobicContact CZ-CG 4.18Å; F185-M220 VanDerWaalsContact CZ-O 3.29Å; F185-M220 WeakPolarHBondContact CZ-O 3.17Å; T200-M220 HydrophobicContact CG2-SD 3.8Å; F211-M220 HydrophobicContact CE2-CE 4.28Å; T217-M220 HydrophobicContact CG2-CE 3.75Å; T217-M220 PolarHBondContact O-N 3.26Å; M220-H223 PolarHBondContact O-N 3.08Å; M220-L224 PolarHBondContact O-N 2.85Å |
| 221 | L | 92 | Very high | 84.3 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 173.7 | -178.1 | 59.9 | 0 | 0 | 0 | 112.3 | F180 V181 T217 H223 L224 K225 | F180-L221 HydrophobicContact CE1-CD1 3.87Å; F180-L221 HydrophobicContact CZ-CD1 3.57Å; V181-L221 HydrophobicContact CG2-CB 4Å; V181-L221 HydrophobicContact CG2-CD1 4.02Å; T217-L221 WeakPolarHBondContact O-CB 3.12Å; T217-L221 PolarHBondContact O-N 2.7Å; L221-H223 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 2.93Å; L221-K225 WeakPolarHBondContact O-CG 3.18Å; L221-K225 PolarHBondContact O-N 2.83Å |
| 222 | N | 91.9 | Very high | 84.8 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 175.7 | -74.6 | 1.9 | 0 | 0 | 0 | 111.5 | T218 T219 K225 S226 | T218-N222 WeakPolarHBondContact O-CB 3.46Å; T218-N222 PolarHBondContact O-N 3.07Å; T218-N222 PolarHBondContact O-OD1 2.76Å; T219-N222 PolarHBondContact O-N 2.89Å; N222-K225 PolarHBondContact O-N 2.69Å; N222-S226 WeakPolarHBondContact O-CB 2.99Å; N222-S226 PolarHBondContact O-N 2.94Å; N222-S226 PolarHBondContact O-OG 2.96Å; N222-S226 VanDerWaalsContact O-OG 3.08Å |
| 223 | H | 94 | Very high | 85.9 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 172.2 | 179.7 | 93.5 | 0 | 0 | 0 | 112 | F185 C205 S207 L209 T219 M220 L221 K225 S226 R227 H228 | F185-H223 HydrophobicContact CE1-CB 4.44Å; F185-H223 AromaticContact CE1-CD2 3.87Å; F185-H223 HydrophobicContact CZ-CB 4.03Å; F185-H223 AromaticContact CZ-CD2 3.6Å; C205-H223 PolarHBondContact SG-NE2 3.39Å; S207-H223 WeakPolarHBondContact CB-CE1 3.29Å; L209-H223 HydrophobicContact CD1-CB 4.08Å; L209-H223 HydrophobicContact CD2-CB 3.92Å; T219-H223 PolarHBondContact O-N 3.38Å; M220-H223 PolarHBondContact O-N 3.08Å; L221-H223 VanDerWaalsContact C-N 3.33Å; H223-K225 VanDerWaalsContact C-N 3.26Å; H223-K225 PolarHBondContact O-N 2.96Å; H223-S226 PolarHBondContact O-N 3.3Å; H223-S226 VanDerWaalsContact O-N 3.1Å; H223-S226 PolarHBondContact O-OG 3.41Å; H223-R227 PolarHBondContact O-N 3.39Å; H223-H228 AromaticContact NE2-CD2 3.93Å; H223-H228 AromaticContact NE2-NE2 3.78Å |
| 224 | L | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -50.3 | -48.8 | 171.1 | -98.3 | 163.6 | 0 | 0 | 0 | 110.7 | F180 V181 Y184 F185 L204 M220 L221 S226 H228 G229 I231 A232 | F180-L224 HydrophobicContact CE2-CD1 4.18Å; V181-L224 HydrophobicContact CB-CD1 4.36Å; V181-L224 HydrophobicContact CG1-CD1 4.11Å; V181-L224 HydrophobicContact CG2-CD1 4.27Å; Y184-L224 HydrophobicContact CD2-CD1 3.92Å; Y184-L224 HydrophobicContact CD2-CD2 3.97Å; Y184-L224 HydrophobicContact CG-CD2 4.13Å; F185-L224 HydrophobicContact CE2-CD1 3.9Å; F185-L224 HydrophobicContact CE2-CG 3.9Å; F185-L224 HydrophobicContact CZ-CG 4.44Å; L204-L224 HydrophobicContact CD1-CD2 4.11Å; M220-L224 PolarHBondContact O-N 2.85Å; L221-L224 PolarHBondContact O-N 2.93Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 3.5Å; L224-H228 HydrophobicContact CD2-CB 4.12Å; L224-H228 CarbonylContact O-C 3.53Å; L224-H228 WeakPolarHBondContact O-CA 3.37Å; L224-H228 WeakPolarHBondContact O-CB 3.46Å; L224-H228 PolarHBondContact O-N 3.4Å; L224-H228 VanDerWaalsContact O-O 3.1Å; L224-G229 PolarHBondContact O-N 3.23Å; L224-I231 HydrophobicContact CD2-CG2 4.05Å; L224-A232 HydrophobicContact CB-CB 4.2Å |
| 225 | K | 93.5 | Very high | 88.5 | Confident | 124 Ų | 124 | 63.6 Ų | 63.6 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.9 | -22.9 | -179.4 | -72.9 | -175.3 | 175.2 | -162.7 | 0 | 115.3 | L221 N222 H223 A232 | L221-K225 WeakPolarHBondContact O-CG 3.18Å; L221-K225 PolarHBondContact O-N 2.83Å; N222-K225 PolarHBondContact O-N 2.69Å; H223-K225 VanDerWaalsContact C-N 3.26Å; H223-K225 PolarHBondContact O-N 2.96Å; K225-A232 HydrophobicContact CG-CB 3.88Å |
| 226 | S | 93 | Very high | 89.7 | Confident | 92 Ų | 92 | 64.4 Ų | 64.4 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -104.1 | -20.1 | -177 | 66.9 | 0 | 0 | 0 | 0 | 115 | N222 H223 L224 | N222-S226 WeakPolarHBondContact O-CB 2.99Å; N222-S226 PolarHBondContact O-N 2.94Å; N222-S226 PolarHBondContact O-OG 2.96Å; N222-S226 VanDerWaalsContact O-OG 3.08Å; H223-S226 PolarHBondContact O-N 3.3Å; H223-S226 VanDerWaalsContact O-N 3.1Å; H223-S226 PolarHBondContact O-OG 3.41Å; L224-S226 VanDerWaalsContact C-N 3.34Å; L224-S226 PolarHBondContact O-N 3.5Å |
| 227 | R | 90.8 | Very high | 90.2 | Very high | 153 Ų | 153 | 63.9 Ų | 63.9 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -114.6 | -22.8 | 177.4 | -70.8 | -67 | -167.8 | 76.8 | -5.8 | 113.9 | S207 H223 | S207-R227 PolarHBondContact OG-NH1 3.46Å; H223-R227 PolarHBondContact O-N 3.39Å |
| 228 | H | 95.8 | Very high | 89.9 | Confident | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | trans | -138.8 | 45.6 | -172.7 | -55.7 | -64.1 | 0 | 0 | 0 | 110.8 | L204 C205 H223 L224 E230 I231 A232 | L204-H228 WeakPolarHBondContact CB-CE1 3.31Å; L204-H228 WeakPolarHBondContact CB-NE2 3.31Å; L204-H228 HydrophobicContact CD1-CB 4.04Å; L204-H228 PolarHBondContact O-CE1 2.87Å; L204-H228 VanDerWaalsContact O-CE1 3.3Å; C205-H228 PolarHBondContact SG-NE2 3.12Å; H223-H228 AromaticContact NE2-CD2 3.93Å; H223-H228 AromaticContact NE2-NE2 3.78Å; L224-H228 HydrophobicContact CD2-CB 4.12Å; L224-H228 CarbonylContact O-C 3.53Å; L224-H228 WeakPolarHBondContact O-CA 3.37Å; L224-H228 WeakPolarHBondContact O-CB 3.46Å; L224-H228 PolarHBondContact O-N 3.4Å; L224-H228 VanDerWaalsContact O-O 3.1Å; H228-E230 VanDerWaalsContact C-N 3.27Å; H228-E230 PolarHBondContact O-N 2.84Å; H228-I231 HydrophobicContact CB-CB 4.33Å; H228-I231 HydrophobicContact CB-CD1 4.37Å; H228-I231 PolarHBondContact O-N 3.39Å; H228-A232 PolarHBondContact O-N 3.39Å | ||
| 229 | G | 88.1 | Confident | 89.7 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 38% | 0.381 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.3 | -41.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L224 I231 A232 E233 | L224-G229 PolarHBondContact O-N 3.23Å; G229-I231 PolarHBondContact O-N 3.02Å; G229-A232 WeakPolarHBondContact O-CB 3.14Å; G229-A232 PolarHBondContact O-N 2.71Å; G229-E233 PolarHBondContact O-N 3.01Å |
| 230 | E | 90.3 | Very high | 89.1 | Confident | 156 Ų | 156 | 73.4 Ų | 73.4 | 73% | 0.729 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.6 | -45.7 | 176.5 | -60.8 | 177 | 179.5 | 0 | 0 | 112.5 | H228 A232 E233 Q234 | H228-E230 VanDerWaalsContact C-N 3.27Å; H228-E230 PolarHBondContact O-N 2.84Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 2.81Å; E230-E233 PolarHBondContact O-N 3.2Å; E230-Q234 WeakPolarHBondContact O-CB 3.32Å; E230-Q234 WeakPolarHBondContact O-CG 2.96Å; E230-Q234 PolarHBondContact O-N 3.09Å |
| 231 | I | 90.3 | Very high | 88.3 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 23% | 0.226 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.4 | -36.2 | 178 | -64.9 | 171 | 0 | 0 | 0 | 110.4 | Y184 L204 L224 H228 G229 E233 E235 | Y184-I231 HydrophobicContact CD1-CG2 4.15Å; Y184-I231 HydrophobicContact CD2-CG2 4.42Å; Y184-I231 HydrophobicContact CE1-CG2 3.59Å; Y184-I231 HydrophobicContact CE2-CG2 3.87Å; Y184-I231 VanDerWaalsContact CZ-CG2 3.42Å; L204-I231 HydrophobicContact CD1-CD1 3.73Å; L204-I231 HydrophobicContact CD1-CG2 4.33Å; L204-I231 HydrophobicContact CD2-CD1 3.97Å; L204-I231 HydrophobicContact CG-CD1 4.46Å; L224-I231 HydrophobicContact CD2-CG2 4.05Å; H228-I231 HydrophobicContact CB-CB 4.33Å; H228-I231 HydrophobicContact CB-CD1 4.37Å; H228-I231 PolarHBondContact O-N 3.39Å; G229-I231 PolarHBondContact O-N 3.02Å; I231-E233 VanDerWaalsContact C-N 3.34Å; I231-E235 PolarHBondContact O-N 2.88Å; I231-E235 VanDerWaalsContact O-N 3.15Å |
| 232 | A | 90.2 | Very high | 87.4 | Confident | 7 Ų | 7 | 81 Ų | 81 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67 | -33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L224 K225 H228 G229 E230 E236 | L224-A232 HydrophobicContact CB-CB 4.2Å; K225-A232 HydrophobicContact CG-CB 3.88Å; H228-A232 PolarHBondContact O-N 3.39Å; G229-A232 WeakPolarHBondContact O-CB 3.14Å; G229-A232 PolarHBondContact O-N 2.71Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 2.81Å; A232-E236 VanDerWaalsContact O-CB 3.23Å; A232-E236 WeakPolarHBondContact O-CB 3.46Å; A232-E236 PolarHBondContact O-N 3.02Å |
| 233 | E | 87.7 | Confident | 86.2 | Confident | 132 Ų | 132 | 85.3 Ų | 85.3 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -80.1 | -38.9 | 176.1 | -178.2 | 155.1 | -136.8 | 0 | 0 | 112.8 | G229 E230 I231 E236 T237 | G229-E233 PolarHBondContact O-N 3.01Å; E230-E233 PolarHBondContact O-N 3.2Å; I231-E233 VanDerWaalsContact C-N 3.34Å; E233-E236 PolarHBondContact O-N 3.29Å; E233-T237 HydrophobicContact CG-CG2 4.45Å; E233-T237 WeakPolarHBondContact O-CB 2.87Å; E233-T237 WeakPolarHBondContact O-CG2 3.18Å; E233-T237 PolarHBondContact O-N 2.84Å; E233-T237 PolarHBondContact O-OG1 2.77Å |
| 234 | Q | 88.7 | Confident | 85.1 | Confident | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -58.3 | -50.1 | 173 | -77.8 | -176.2 | 3.4 | 0 | 0 | 111.4 | E230 E236 T237 L238 | E230-Q234 WeakPolarHBondContact O-CB 3.32Å; E230-Q234 WeakPolarHBondContact O-CG 2.96Å; E230-Q234 PolarHBondContact O-N 3.09Å; Q234-E236 PolarHBondContact O-N 3.28Å; Q234-T237 WeakPolarHBondContact CA-OG1 3.44Å; Q234-T237 PolarHBondContact O-N 2.99Å; Q234-T237 PolarHBondContact O-OG1 2.92Å; Q234-L238 WeakPolarHBondContact O-CB 3.49Å; Q234-L238 PolarHBondContact O-N 2.89Å |
| 235 | E | 90.5 | Very high | 83.7 | Confident | 25 Ų | 25 | 91 Ų | 91 | 12% | 0.117 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -73.3 | -28.7 | -179.8 | -157.5 | 93.7 | 138.2 | 0 | 0 | 112.1 | F180 K183 I231 R239 | F180-E235 HydrophobicContact CB-CG 4.19Å; F180-E235 HydrophobicContact CD2-CB 3.78Å; F180-E235 HydrophobicContact CD2-CG 3.52Å; F180-E235 HydrophobicContact CE2-CB 3.83Å; F180-E235 HydrophobicContact CE2-CG 4.11Å; F180-E235 HydrophobicContact CG-CG 4.04Å; K183-E235 WeakPolarHBondContact CD-OE1 3.48Å; K183-E235 VanDerWaalsContact NZ-CD 3.27Å; K183-E235 IonicContact NZ-OE1 2.72Å; K183-E235 PolarHBondContact NZ-OE1 3.37Å; K183-E235 IonicContact NZ-OE2 3.89Å; K183-E235 PolarHBondContact NZ-OE2 3.1Å; I231-E235 PolarHBondContact O-N 2.88Å; I231-E235 VanDerWaalsContact O-N 3.15Å; E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CD 3.24Å; E235-R239 WeakPolarHBondContact O-CD 3.38Å; E235-R239 WeakPolarHBondContact O-CG 3.22Å; E235-R239 PolarHBondContact O-N 2.93Å |
| 236 | E | 85.4 | Confident | 82.1 | Confident | 68 Ų | 68 | 93 Ų | 93 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 171.4 | 172.2 | 64.8 | -159.6 | 0 | 0 | 111.7 | A232 E233 Q234 R239 R240 | A232-E236 VanDerWaalsContact O-CB 3.23Å; A232-E236 WeakPolarHBondContact O-CB 3.46Å; A232-E236 PolarHBondContact O-N 3.02Å; E233-E236 PolarHBondContact O-N 3.29Å; Q234-E236 PolarHBondContact O-N 3.28Å; E236-R239 WeakPolarHBondContact O-CB 3.46Å; E236-R239 PolarHBondContact O-N 3.3Å; E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.38Å; E236-R240 IonicContact OE1-CZ 3.71Å; E236-R240 VanDerWaalsContact OE1-CZ 3.24Å; E236-R240 IonicContact OE1-NE 2.77Å; E236-R240 PolarHBondContact OE1-NE 3.32Å; E236-R240 IonicContact OE1-NH2 3.58Å; E236-R240 PolarHBondContact OE1-NH2 3.3Å |
| 237 | T | 82.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 94.1 Ų | 94.1 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.3 | -41.8 | 174.9 | 48.6 | 0 | 0 | 0 | 0 | 112 | E233 Q234 R239 R240 L241 | E233-T237 HydrophobicContact CG-CG2 4.45Å; E233-T237 WeakPolarHBondContact O-CB 2.87Å; E233-T237 WeakPolarHBondContact O-CG2 3.18Å; E233-T237 PolarHBondContact O-N 2.84Å; E233-T237 PolarHBondContact O-OG1 2.77Å; Q234-T237 WeakPolarHBondContact CA-OG1 3.44Å; Q234-T237 PolarHBondContact O-N 2.99Å; Q234-T237 PolarHBondContact O-OG1 2.92Å; T237-R239 PolarHBondContact O-N 3.25Å; T237-R240 PolarHBondContact O-N 3.25Å; T237-R240 VanDerWaalsContact O-N 3.09Å; T237-L241 WeakPolarHBondContact O-CG 3.13Å; T237-L241 PolarHBondContact O-N 2.98Å |
| 238 | L | 82.6 | Confident | 79.1 | Confident | 87 Ų | 87 | 91.1 Ų | 91.1 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -55.2 | -39.2 | 169.8 | -124.7 | 84.6 | 0 | 0 | 0 | 111.7 | Q234 N242 | Q234-L238 WeakPolarHBondContact O-CB 3.49Å; Q234-L238 PolarHBondContact O-N 2.89Å; L238-N242 WeakPolarHBondContact O-CB 3.37Å; L238-N242 PolarHBondContact O-N 3.47Å; L238-N242 PolarHBondContact O-ND2 3.29Å |
| 239 | R | 82.8 | Confident | 77.3 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 43% | 0.426 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 176.6 | -79.7 | 165.7 | 153.1 | -120.2 | -15.5 | 113.1 | E235 E236 T237 R243 | E235-R239 WeakPolarHBondContact O-CB 3.32Å; E235-R239 VanDerWaalsContact O-CD 3.24Å; E235-R239 WeakPolarHBondContact O-CD 3.38Å; E235-R239 WeakPolarHBondContact O-CG 3.22Å; E235-R239 PolarHBondContact O-N 2.93Å; E236-R239 WeakPolarHBondContact O-CB 3.46Å; E236-R239 PolarHBondContact O-N 3.3Å; T237-R239 PolarHBondContact O-N 3.25Å; R239-R243 WeakPolarHBondContact O-CB 3.49Å; R239-R243 PolarHBondContact O-N 2.91Å |
| 240 | R | 74.6 | Confident | 75.5 | Confident | 137 Ų | 137 | 98.4 Ų | 98.4 | 52% | 0.517 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.4 | -52.3 | 172.6 | -70.7 | 167.6 | -169.7 | -175.2 | 5.9 | 110.5 | E236 T237 N242 R243 D244 | E236-R240 WeakPolarHBondContact O-CG 3.46Å; E236-R240 PolarHBondContact O-N 3.38Å; E236-R240 IonicContact OE1-CZ 3.71Å; E236-R240 VanDerWaalsContact OE1-CZ 3.24Å; E236-R240 IonicContact OE1-NE 2.77Å; E236-R240 PolarHBondContact OE1-NE 3.32Å; E236-R240 IonicContact OE1-NH2 3.58Å; E236-R240 PolarHBondContact OE1-NH2 3.3Å; T237-R240 PolarHBondContact O-N 3.25Å; T237-R240 VanDerWaalsContact O-N 3.09Å; R240-N242 PolarHBondContact O-N 3.46Å; R240-R243 PolarHBondContact O-N 2.79Å; R240-D244 PolarHBondContact O-N 3.34Å |
| 241 | L | 75.1 | Confident | 73.6 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 65% | 0.649 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -54.9 | -47.6 | 176.7 | -67.7 | 169.3 | 0 | 0 | 0 | 112.2 | T237 R243 D244 S245 | T237-L241 WeakPolarHBondContact O-CG 3.13Å; T237-L241 PolarHBondContact O-N 2.98Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 2.94Å; L241-D244 PolarHBondContact O-N 2.73Å; L241-S245 VanDerWaalsContact O-CB 3.25Å; L241-S245 WeakPolarHBondContact O-CB 3.45Å; L241-S245 PolarHBondContact O-N 2.85Å |
| 242 | N | 72.4 | Confident | 71.6 | Confident | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 175.7 | -89 | -85.7 | 0 | 0 | 0 | 113.4 | L238 R240 R246 | L238-N242 WeakPolarHBondContact O-CB 3.37Å; L238-N242 PolarHBondContact O-N 3.47Å; L238-N242 PolarHBondContact O-ND2 3.29Å; R240-N242 PolarHBondContact O-N 3.46Å; N242-R246 WeakPolarHBondContact O-CB 3.12Å; N242-R246 WeakPolarHBondContact O-CG 3.39Å; N242-R246 PolarHBondContact O-N 3.45Å |
| 243 | R | 68.7 | Low | 69.5 | Low | 186 Ų | 186 | 106.9 Ų | 106.9 | 70% | 0.702 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.4 | -36.7 | -179.7 | -172 | 177.3 | -172.2 | -175 | 1.9 | 112.1 | R239 R240 L241 K247 | R239-R243 WeakPolarHBondContact O-CB 3.49Å; R239-R243 PolarHBondContact O-N 2.91Å; R240-R243 PolarHBondContact O-N 2.79Å; L241-R243 VanDerWaalsContact C-N 3.34Å; L241-R243 PolarHBondContact O-N 2.94Å; R243-K247 PolarHBondContact O-N 2.92Å |
| 244 | D | 70.2 | Confident | 67.6 | Low | 73 Ų | 73 | 105.9 Ų | 105.9 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -80.4 | -32.5 | 176.8 | -66.1 | -43.8 | 0 | 0 | 0 | 111.9 | R240 L241 K247 N248 | R240-D244 PolarHBondContact O-N 3.34Å; L241-D244 PolarHBondContact O-N 2.73Å; D244-K247 WeakPolarHBondContact O-CB 3.37Å; D244-K247 PolarHBondContact O-N 3.33Å; D244-K247 WeakPolarHBondContact OD1-CD 3.25Å; D244-K247 IonicContact OD1-NZ 3.24Å; D244-K247 PolarHBondContact OD1-NZ 2.81Å; D244-N248 PolarHBondContact O-N 2.85Å |
| 245 | S | 65.3 | Low | 65.3 | Low | 62 Ų | 62 | 106.7 Ų | 106.7 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.4 | -50.6 | 164.1 | 176 | 0 | 0 | 0 | 0 | 111.8 | L241 K247 N248 Q249 | L241-S245 VanDerWaalsContact O-CB 3.25Å; L241-S245 WeakPolarHBondContact O-CB 3.45Å; L241-S245 PolarHBondContact O-N 2.85Å; S245-K247 PolarHBondContact O-N 3.23Å; S245-N248 PolarHBondContact O-N 3.16Å; S245-N248 VanDerWaalsContact O-N 3.1Å; S245-Q249 PolarHBondContact O-N 2.79Å |
| 246 | R | 59 | Low | 62.7 | Low | 166 Ų | 166 | 110.2 Ų | 110.2 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -33.7 | 175.2 | -73.9 | -177.9 | -167.6 | 170 | 6.7 | 114 | N242 N248 L250 | N242-R246 WeakPolarHBondContact O-CB 3.12Å; N242-R246 WeakPolarHBondContact O-CG 3.39Å; N242-R246 PolarHBondContact O-N 3.45Å; R246-N248 VanDerWaalsContact C-N 3.31Å; R246-L250 WeakPolarHBondContact O-CB 3.46Å; R246-L250 PolarHBondContact O-N 2.75Å |
| 247 | K | 62.2 | Low | 60.1 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 170.5 | -90.8 | 179.1 | -173.1 | 157.4 | 0 | 112 | R243 D244 S245 L250 R251 | R243-K247 PolarHBondContact O-N 2.92Å; D244-K247 WeakPolarHBondContact O-CB 3.37Å; D244-K247 PolarHBondContact O-N 3.33Å; D244-K247 WeakPolarHBondContact OD1-CD 3.25Å; D244-K247 IonicContact OD1-NZ 3.24Å; D244-K247 PolarHBondContact OD1-NZ 2.81Å; S245-K247 PolarHBondContact O-N 3.23Å; K247-L250 PolarHBondContact O-N 2.67Å; K247-R251 WeakPolarHBondContact O-CB 3.47Å; K247-R251 PolarHBondContact O-N 3.28Å |
| 248 | N | 58.6 | Low | 57.5 | Low | 90 Ų | 90 | 115.4 Ų | 115.4 | 48% | 0.481 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.7 | -40.5 | 178.8 | -69.8 | -13.1 | 0 | 0 | 0 | 110.8 | D244 S245 R246 R251 N252 | D244-N248 PolarHBondContact O-N 2.85Å; S245-N248 PolarHBondContact O-N 3.16Å; S245-N248 VanDerWaalsContact O-N 3.1Å; R246-N248 VanDerWaalsContact C-N 3.31Å; N248-R251 PolarHBondContact O-N 3.4Å; N248-N252 WeakPolarHBondContact O-CB 3.48Å; N248-N252 PolarHBondContact O-N 3.01Å; N248-N252 PolarHBondContact O-OD1 3.22Å |
| 249 | Q | 57 | Low | 54.9 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.5 | -44.8 | 168.4 | -81.4 | -174.9 | -36.5 | 0 | 0 | 112.5 | S245 N252 M253 | S245-Q249 PolarHBondContact O-N 2.79Å; Q249-N252 PolarHBondContact O-N 3.28Å; Q249-M253 HydrophobicContact CB-CE 4.44Å; Q249-M253 PolarHBondContact O-N 2.68Å |
| 250 | L | 52 | Low | 52.3 | Low | 100 Ų | 100 | 119.5 Ų | 119.5 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.8 | -36.4 | 176.5 | -101.9 | 152.8 | 0 | 0 | 0 | 112.7 | R246 K247 M253 I254 | R246-L250 WeakPolarHBondContact O-CB 3.46Å; R246-L250 PolarHBondContact O-N 2.75Å; K247-L250 PolarHBondContact O-N 2.67Å; L250-M253 PolarHBondContact O-N 2.7Å; L250-I254 HydrophobicContact CD2-CD1 4.13Å; L250-I254 WeakPolarHBondContact O-CB 3.45Å; L250-I254 WeakPolarHBondContact O-CD1 3.35Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.17Å |
| 251 | R | 50.4 | Low | 50 | Low | 172 Ų | 172 | 122.2 Ų | 122.2 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.4 | -46 | 170.8 | -91.8 | -177.7 | 159.8 | 178.9 | -8.2 | 111.2 | K247 N248 M253 I254 L255 | K247-R251 WeakPolarHBondContact O-CB 3.47Å; K247-R251 PolarHBondContact O-N 3.28Å; N248-R251 PolarHBondContact O-N 3.4Å; R251-M253 VanDerWaalsContact C-N 3.33Å; R251-M253 PolarHBondContact O-N 2.93Å; R251-I254 PolarHBondContact O-N 2.82Å; R251-L255 VanDerWaalsContact O-CB 3.26Å; R251-L255 WeakPolarHBondContact O-CB 3.32Å; R251-L255 WeakPolarHBondContact O-CD1 3.29Å; R251-L255 VanDerWaalsContact O-CG 3.23Å; R251-L255 WeakPolarHBondContact O-CG 3.31Å; R251-L255 PolarHBondContact O-N 3Å |
| 252 | N | 48.5 | Very low | 47.8 | Very low | 104 Ų | 104 | 123 Ų | 123 | 56% | 0.556 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.7 | -34.1 | 179.9 | -66.8 | 8.5 | 0 | 0 | 0 | 111.5 | N248 Q249 S256 | N248-N252 WeakPolarHBondContact O-CB 3.48Å; N248-N252 PolarHBondContact O-N 3.01Å; N248-N252 PolarHBondContact O-OD1 3.22Å; Q249-N252 PolarHBondContact O-N 3.28Å; N252-S256 VanDerWaalsContact O-CB 3.26Å; N252-S256 WeakPolarHBondContact O-CB 3.37Å; N252-S256 PolarHBondContact O-N 3.11Å; N252-S256 VanDerWaalsContact O-N 3.16Å; N252-S256 PolarHBondContact O-OG 3.41Å |
| 253 | M | 45.4 | Very low | 45.5 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 54% | 0.542 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.9 | -50.6 | 168.8 | -106.6 | 172.2 | -84.2 | 0 | 0 | 112 | Q249 L250 R251 L255 S256 S257 | Q249-M253 HydrophobicContact CB-CE 4.44Å; Q249-M253 PolarHBondContact O-N 2.68Å; L250-M253 PolarHBondContact O-N 2.7Å; R251-M253 VanDerWaalsContact C-N 3.33Å; R251-M253 PolarHBondContact O-N 2.93Å; M253-L255 VanDerWaalsContact C-N 3.27Å; M253-L255 PolarHBondContact O-N 3.49Å; M253-S256 CarbonylContact O-C 2.91Å; M253-S256 VanDerWaalsContact O-C 3.29Å; M253-S256 WeakPolarHBondContact O-CA 3.18Å; M253-S256 PolarHBondContact O-N 3.38Å; M253-S257 WeakPolarHBondContact O-CB 3.24Å; M253-S257 PolarHBondContact O-N 2.86Å; M253-S257 PolarHBondContact O-OG 3.17Å; M253-S257 VanDerWaalsContact O-OG 3.13Å |
| 254 | I | 48.7 | Very low | 44 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 56% | 0.564 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.9 | -29.7 | -178.3 | -68.8 | 165.2 | 0 | 0 | 0 | 112 | L250 R251 S256 | L250-I254 HydrophobicContact CD2-CD1 4.13Å; L250-I254 WeakPolarHBondContact O-CB 3.45Å; L250-I254 WeakPolarHBondContact O-CD1 3.35Å; L250-I254 WeakPolarHBondContact O-CG1 3.47Å; L250-I254 PolarHBondContact O-N 3.17Å; R251-I254 PolarHBondContact O-N 2.82Å; I254-S256 VanDerWaalsContact C-N 3.31Å |
| 255 | L | 39.4 | Very low | 42 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -79.2 | -11.3 | 172.4 | -70.9 | 165.9 | 0 | 0 | 0 | 113.5 | R251 M253 | R251-L255 VanDerWaalsContact O-CB 3.26Å; R251-L255 WeakPolarHBondContact O-CB 3.32Å; R251-L255 WeakPolarHBondContact O-CD1 3.29Å; R251-L255 VanDerWaalsContact O-CG 3.23Å; R251-L255 WeakPolarHBondContact O-CG 3.31Å; R251-L255 PolarHBondContact O-N 3Å; M253-L255 VanDerWaalsContact C-N 3.27Å; M253-L255 PolarHBondContact O-N 3.49Å |
| 256 | S | 36.5 | Very low | 40.1 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 28.4 | 177.5 | -59 | 0 | 0 | 0 | 0 | 112.1 | N252 M253 I254 | N252-S256 VanDerWaalsContact O-CB 3.26Å; N252-S256 WeakPolarHBondContact O-CB 3.37Å; N252-S256 PolarHBondContact O-N 3.11Å; N252-S256 VanDerWaalsContact O-N 3.16Å; N252-S256 PolarHBondContact O-OG 3.41Å; M253-S256 CarbonylContact O-C 2.91Å; M253-S256 VanDerWaalsContact O-C 3.29Å; M253-S256 WeakPolarHBondContact O-CA 3.18Å; M253-S256 PolarHBondContact O-N 3.38Å; I254-S256 VanDerWaalsContact C-N 3.31Å |
| 257 | S | 29.4 | Very low | 38.7 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -146.9 | 39 | -177.8 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | M253 | M253-S257 WeakPolarHBondContact O-CB 3.24Å; M253-S257 PolarHBondContact O-N 2.86Å; M253-S257 PolarHBondContact O-OG 3.17Å; M253-S257 VanDerWaalsContact O-OG 3.13Å |
| 258 | N | 27.8 | Very low | 36.9 | Very low | 146 Ų | 146 | 120.7 Ų | 120.7 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | trans | -133.1 | 48.3 | 173.2 | -96 | -19.7 | 0 | 0 | 0 | 110.6 | ||||
| 259 | D | 28.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | trans | -146.7 | 147.1 | 167.8 | -108.1 | -42.4 | 0 | 0 | 0 | 113 | ||||
| 260 | C | 28 | Very low | 34.1 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 86% | 0.858 | 65% | 0.654 | S | S | * | * | trans | 58.9 | 139.4 | 174 | -71.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 261 | K | 27.5 | Very low | 33 | Very low | 195 Ų | 195 | 118.3 Ų | 118.3 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | trans | -98.6 | 173.5 | 165.8 | -59.5 | 173.5 | 179.1 | 174 | 0 | 109.4 | ||||
| 262 | L | 27.4 | Very low | 31.9 | Very low | 140 Ų | 140 | 116 Ų | 116 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | trans | 78.6 | 146.6 | 162.8 | -60.6 | 166.6 | 0 | 0 | 0 | 117.2 | F454 | L262-F454 HydrophobicContact CD2-CE2 3.76Å; L262-F454 HydrophobicContact CD2-CZ 4.36Å | ||
| 263 | S | 24.9 | Very low | 31.1 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | -120.7 | -177.8 | 172.2 | 63.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 264 | P | 38 | Very low | 30.4 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | cis | -135.7 | -157.5 | 0.1 | 33.2 | -9.3 | 0 | 0 | 0 | 113.3 | ||||
| 265 | T | 28.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | 103.1 | 142.6 | 149.9 | -39.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 266 | S | 24.9 | Very low | 29.3 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 68% | 0.678 | 68% | 0.681 | S | S | * | * | trans | -105 | 143.6 | -167.4 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 267 | I | 28.5 | Very low | 29 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 65% | 0.651 | 68% | 0.68 | S | S | * | * | trans | -179.9 | 94.1 | 134.8 | -90.4 | 149.1 | 0 | 0 | 0 | 104.2 | N444 | I267-N444 VanDerWaalsContact CG2-ND2 3.3Å; I267-N444 WeakPolarHBondContact CG2-ND2 3.45Å | ||
| 268 | N | 26.1 | Very low | 28.8 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 52% | 0.524 | 69% | 0.686 | S | S | . | * | 66.8 | 112 | 81.4 | -171.2 | 15.7 | 0 | 0 | 0 | 112.7 | L442 L443 | N268-L442 WeakPolarHBondContact OD1-CD2 3.35Å; N268-L443 HydrophobicContact CB-CD2 4.23Å | |||
| 269 | S | 29.2 | Very low | 28.8 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 46% | 0.455 | 68% | 0.682 | S | S | . | * | trans | -163.9 | 133.2 | 163.7 | -152.3 | 0 | 0 | 0 | 0 | 111.7 | L443 N444 | S269-L443 VanDerWaalsContact OG-C 3.26Å; S269-L443 PolarHBondContact OG-O 2.88Å; S269-N444 WeakPolarHBondContact OG-CB 3.31Å; S269-N444 PolarHBondContact OG-N 2.68Å | ||
| 270 | N | 26.2 | Very low | 28.8 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 46% | 0.455 | 68% | 0.676 | S | S | . | * | trans | -74.3 | 163 | 147.9 | -72.8 | 3.1 | 0 | 0 | 0 | 106.8 | L442 | N270-L442 HydrophobicContact CB-CB 3.78Š| ||
| 271 | S | 28.4 | Very low | 28.8 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | cis | -150.5 | 160.5 | 35.3 | 35.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 272 | T | 28.8 | Very low | 28.7 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 66% | 0.664 | S | S | * | * | trans | -63.2 | 168.2 | 167.2 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 273 | I | 30.7 | Very low | 28.6 | Very low | 143 Ų | 143 | 119 Ų | 119 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | -172.9 | 149.4 | 78 | -151.6 | 161.3 | 0 | 0 | 0 | 111.9 | |||||
| 274 | I | 31.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | trans | 57.7 | 139 | 175.3 | 36.1 | 174.9 | 0 | 0 | 0 | 118.1 | ||||
| 275 | K | 31.3 | Very low | 28.1 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | S | Bend | cis | -137.7 | 154.7 | 9.7 | -63.5 | -175.4 | 179.4 | 172.7 | 0 | 109.9 | ||
| 276 | N | 33.6 | Very low | 28.2 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 58% | 0.578 | 65% | 0.646 | S | S | * | * | cis | -158.7 | 149.1 | -12.2 | -107.3 | 11.3 | 0 | 0 | 0 | 107.8 | ||||
| 277 | N | 29.5 | Very low | 28.2 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 66% | 0.658 | 63% | 0.633 | S | S | * | * | trans | 27.2 | 122.8 | 135.4 | -48.6 | 23 | 0 | 0 | 0 | 116.8 | ||||
| 278 | E | 25.9 | Very low | 28.2 | Very low | 158 Ų | 158 | 121.4 Ų | 121.4 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | cis | 54.8 | 160 | 46 | -36.3 | -177.5 | 119 | 0 | 0 | 112.4 | ||||
| 279 | M | 27.8 | Very low | 28.1 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | cis | -153.8 | -124.8 | 1.2 | -155.8 | -175.7 | -73 | 0 | 0 | 106.5 | ||||
| 280 | I | 28.2 | Very low | 28.1 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | trans | 73.4 | 134 | 153.9 | -19.8 | 163.5 | 0 | 0 | 0 | 111.1 | ||||
| 281 | N | 28.7 | Very low | 28.2 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | cis | -119.3 | 144 | 35.8 | -63.7 | -14.6 | 0 | 0 | 0 | 116.4 | ||||
| 282 | S | 24.6 | Very low | 28.2 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | trans | -113.6 | 150.2 | 142.8 | 56.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 283 | F | 25.4 | Very low | 28.1 | Very low | 143 Ų | 143 | 136 Ų | 136 | 63% | 0.627 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 72.5 | 110.7 | 174.9 | -60.1 | -74.4 | 0 | 0 | 0 | 119.1 | ||
| 284 | N | 26.3 | Very low | 28 | Very low | 101 Ų | 101 | 134 Ų | 134 | 54% | 0.54 | 68% | 0.684 | S | S | . | * | trans | 85.9 | 90.1 | 140.2 | -68.1 | 30.7 | 0 | 0 | 0 | 120.5 | E997 | N284-E997 PolarHBondContact ND2-O 3.48Š| ||
| 285 | E | 26.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | -47 | 152.7 | 115 | -53.4 | 175.5 | 148.6 | 0 | 0 | 110 | I998 | E285-I998 CarbonylContact C-O 3.57Å; E285-I998 CarbonylContact O-C 3.29Å | |||
| 286 | N | 29 | Very low | 28.1 | Very low | 98 Ų | 98 | 135 Ų | 135 | 52% | 0.524 | 70% | 0.704 | S | S | . | * | cis | -146.3 | -168.3 | -4.3 | -133.1 | -2.5 | 0 | 0 | 0 | 108.9 | I998 T999 D1000 | N286-I998 PolarHBondContact N-O 3.44Å; N286-T999 WeakPolarHBondContact CB-O 3.41Å; N286-D1000 HydrophobicContact CB-CB 4.46Å; N286-D1000 PolarHBondContact ND2-O 3.16Å | ||
| 287 | T | 26.5 | Very low | 27.8 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 39% | 0.393 | 71% | 0.707 | S | S | . | * | cis | -133.5 | 154.6 | -3.4 | 19.2 | 0 | 0 | 0 | 0 | 110.3 | D1000 | T287-D1000 HydrophobicContact CG2-CB 3.65Å; T287-D1000 WeakPolarHBondContact CG2-O 3.13Å | ||
| 288 | Q | 26.9 | Very low | 28 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | -178.6 | 144 | 108.4 | -98.6 | -176.5 | 11.9 | 0 | 0 | 113.6 | |||||
| 289 | T | 24 | Very low | 28 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.724 | 69% | 0.694 | S | S | * | * | trans | -19.7 | 130.5 | 165.8 | 53.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 290 | I | 31 | Very low | 27.9 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | -163.5 | 156.9 | 119.3 | -104.8 | 160.2 | 0 | 0 | 0 | 112.7 | |||||
| 291 | R | 28.3 | Very low | 28 | Very low | 225 Ų | 225 | 124.6 Ų | 124.6 | 85% | 0.849 | 66% | 0.66 | S | S | * | * | trans | -52.8 | 139.3 | -178.8 | -68.7 | 168.1 | -170.8 | 134.7 | 1.5 | 113.1 | ||||
| 292 | N | 26.5 | Very low | 28.1 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | 91.6 | 144.6 | 56.5 | -156.2 | 12.1 | 0 | 0 | 0 | 112.9 | |||||
| 293 | L | 27.8 | Very low | 28.6 | Very low | 141 Ų | 141 | 124 Ų | 124 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | trans | 65.1 | 130.9 | -172.1 | -75.7 | 69.3 | 0 | 0 | 0 | 115.1 | ||||
| 294 | S | 29.4 | Very low | 28.9 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | cis | 80.3 | 118.4 | 21.4 | -43.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 295 | T | 26.2 | Very low | 29.1 | Very low | 145 Ų | 145 | 125 Ų | 125 | 89% | 0.89 | 65% | 0.648 | S | S | * | * | trans | -169.8 | 146.5 | 139.6 | 11.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 296 | N | 37.6 | Very low | 29.3 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | trans | -100.7 | 164.9 | 171.4 | -76.4 | -62.5 | 0 | 0 | 0 | 110.8 | ||||
| 297 | L | 27.6 | Very low | 29.4 | Very low | 126 Ų | 126 | 128 Ų | 128 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | trans | -157 | 148.1 | 163.3 | -110 | 145.8 | 0 | 0 | 0 | 113.1 | L332 | L297-L332 HydrophobicContact CD2-CD2 4.34Š| ||
| 298 | I | 33.1 | Very low | 30 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 57% | 0.574 | 69% | 0.688 | S | S | * | * | trans | -131 | 167.2 | -154.2 | -38.9 | 176.1 | 0 | 0 | 0 | 113.4 | K331 L332 | I298-K331 VanDerWaalsContact O-CG 3.29Å; I298-K331 WeakPolarHBondContact O-CG 3.46Å; I298-L332 PolarHBondContact O-N 2.79Å | ||
| 299 | N | 26.4 | Very low | 30.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 54% | 0.535 | 69% | 0.69 | S | S | . | * | trans | 111.6 | 171.6 | 135.9 | -155.5 | 8.8 | 0 | 0 | 0 | 120.8 | S330 K331 L332 | N299-S330 CarbonylContact O-C 3.59Å; N299-S330 WeakPolarHBondContact O-CA 3.38Å; N299-S330 PolarHBondContact O-OG 2.87Å; N299-K331 PolarHBondContact O-N 2.75Å; N299-L332 PolarHBondContact ND2-O 2.95Å | ||
| 300 | G | 27.1 | Very low | 30.5 | Very low | 18 Ų | 18 | 130.4 Ų | 130.4 | 19% | 0.186 | 69% | 0.691 | C | S | . | * | trans | 101.2 | -174.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 126.6 | C329 S330 | G300-C329 VanDerWaalsContact C-C 3.47Å; G300-C329 VanDerWaalsContact C-CA 3.49Å; G300-C329 WeakPolarHBondContact O-CA 3.48Å; G300-C329 PolarHBondContact O-N 2.82Å; G300-S330 VanDerWaalsContact C-CA 3.45Å | ||
| 301 | N | 30 | Very low | 30.6 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 51% | 0.513 | 69% | 0.689 | S | S | . | * | trans | -144.8 | 143.2 | -157.8 | -47.3 | -81.6 | 0 | 0 | 0 | 117.1 | N328 C329 S330 | N301-N328 HydrophobicContact CB-CB 4.36Å; N301-N328 PolarHBondContact OD1-ND2 3.19Å; N301-C329 VanDerWaalsContact C-C 3.4Å; N301-C329 CarbonylContact C-O 3.52Å; N301-C329 VanDerWaalsContact CA-C 3.5Å; N301-C329 VanDerWaalsContact O-O 3.05Å; N301-S330 VanDerWaalsContact N-N 3.15Å | ||
| 302 | N | 31.1 | Very low | 30.7 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 54% | 0.535 | 68% | 0.681 | S | S | . | * | 179.5 | 143.3 | 63.9 | -95.7 | -81.9 | 0 | 0 | 0 | 118.8 | M327 C329 | N302-M327 CarbonylContact C-O 2.88Å; N302-M327 WeakPolarHBondContact CA-O 3.5Å; N302-C329 PolarHBondContact N-O 2.85Å; N302-C329 VanDerWaalsContact N-O 3.07Å | |||
| 303 | K | 33.6 | Very low | 30.8 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 57% | 0.57 | 69% | 0.686 | S | S | * | * | trans | 60.5 | 129 | 133.6 | -67.9 | 175.3 | -176.9 | 127.2 | 0 | 133.6 | S326 M327 | K303-S326 WeakPolarHBondContact CE-O 3.3Å; K303-S326 WeakPolarHBondContact CG-O 3.47Å; K303-M327 PolarHBondContact N-O 2.99Å | ||
| 304 | Y | 33.2 | Very low | 30.8 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 45% | 0.451 | 69% | 0.693 | S | S | . | * | 58.5 | 132.9 | 128.7 | -75.5 | -49.4 | 0 | 0 | 0 | 131.4 | K325 S326 | Y304-K325 HydrophobicContact CE2-CB 4.18Å; Y304-K325 HydrophobicContact CE2-CD 4.44Å; Y304-K325 VanDerWaalsContact OH-CA 3.32Å; Y304-K325 WeakPolarHBondContact OH-CA 3.3Å; Y304-K325 WeakPolarHBondContact OH-CB 3.29Å; Y304-K325 VanDerWaalsContact OH-CG 3.31Å; Y304-K325 WeakPolarHBondContact OH-CG 3.46Å; Y304-S326 VanDerWaalsContact CE2-O 3.31Å; Y304-S326 WeakPolarHBondContact CE2-O 3.16Å; Y304-S326 PolarHBondContact OH-N 3.41Å; Y304-S326 PolarHBondContact OH-OG 3.18Å | |||
| 305 | N | 29.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | -176.9 | -177.6 | 106.4 | -116.3 | -45.5 | 0 | 0 | 0 | 119.3 | |||||
| 306 | R | 30.2 | Very low | 31.1 | Very low | 241 Ų | 241 | 131.2 Ų | 131.2 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | trans | -50.1 | 166.7 | -174.4 | -58.4 | 169.4 | 172.2 | 163.9 | -5.3 | 119 | ||||
| 307 | G | 32.5 | Very low | 31.8 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | cis | 134.9 | 113.1 | -17.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 308 | T | 37.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | trans | -157.5 | 148.4 | 169.7 | 42.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 309 | L | 31 | Very low | 31.9 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | trans | 53.3 | 114.7 | 161 | -63.3 | 166.8 | 0 | 0 | 0 | 119.3 | ||||
| 310 | S | 30.1 | Very low | 32.2 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | 78 | 114 | 80.9 | -150.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 311 | V | 34.4 | Very low | 32.2 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | cis | -148.5 | 146.5 | 22.7 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 312 | G | 28.9 | Very low | 32.2 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | 105.9 | 105.3 | -14.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 313 | Q | 29.9 | Very low | 32.1 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | cis | -148 | -145.3 | 7 | -70 | 176.7 | -5.4 | 0 | 0 | 107.6 | ||||
| 314 | R | 27.3 | Very low | 31.8 | Very low | 234 Ų | 234 | 142.3 Ų | 142.3 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | cis | -153.9 | 172.5 | 9.2 | -64.3 | -179.6 | -179.7 | 162.9 | 3 | 107.7 | ||||
| 315 | G | 25.5 | Very low | 31.4 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | cis | 162.7 | 127.5 | -11.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 316 | R | 37.3 | Very low | 31.4 | Very low | 244 Ų | 244 | 140.3 Ų | 140.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -88.1 | -172 | 154.8 | -83.2 | -175.6 | 169.9 | -160.5 | -0.5 | 109 | ||||
| 317 | P | 51.6 | Low | 31.3 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -110.6 | -108.9 | -29.9 | 16.4 | 6.8 | 0 | 0 | 0 | 111.2 | ||||
| 318 | P | 37.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | cis | -134.1 | 165.8 | 38.8 | 41.8 | -25 | 0 | 0 | 0 | 117.1 | ||||
| 319 | G | 25.6 | Very low | 30.5 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | trans | -101.2 | 152.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 320 | S | 31.7 | Very low | 30.1 | Very low | 134 Ų | 134 | 130 Ų | 130 | 94% | 0.937 | 73% | 0.726 | S | S | * | * | trans | -61.9 | 143.6 | 175.4 | 48.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 321 | G | 27.3 | Very low | 29.8 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -160.4 | 163.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 322 | R | 30.2 | Very low | 29.5 | Very low | 214 Ų | 214 | 130.7 Ų | 130.7 | 81% | 0.808 | 71% | 0.71 | S | S | * | * | trans | -159.2 | 125.4 | 165.9 | -120.8 | -178 | -179.4 | -165.4 | 2.7 | 111 | ||||
| 323 | R | 28.8 | Very low | 29.3 | Very low | 203 Ų | 203 | 132.7 Ų | 132.7 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | trans | 53.2 | 149.3 | 143.7 | -69 | 176.6 | 178.4 | -173.3 | -2.1 | 120.6 | ||||
| 324 | Q | 27.4 | Very low | 29.1 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 71% | 0.71 | 71% | 0.705 | S | S | * | * | cis | -172.1 | 144.2 | -30.3 | -125 | -177 | 11.4 | 0 | 0 | 111 | ||||
| 325 | K | 26.4 | Very low | 29 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 71% | 0.709 | 70% | 0.699 | S | S | * | * | trans | 79.6 | 150.9 | 153.4 | -64.7 | -172.1 | 178.2 | -177.3 | 0 | 120.9 | Y304 | Y304-K325 HydrophobicContact CE2-CB 4.18Å; Y304-K325 HydrophobicContact CE2-CD 4.44Å; Y304-K325 VanDerWaalsContact OH-CA 3.32Å; Y304-K325 WeakPolarHBondContact OH-CA 3.3Å; Y304-K325 WeakPolarHBondContact OH-CB 3.29Å; Y304-K325 VanDerWaalsContact OH-CG 3.31Å; Y304-K325 WeakPolarHBondContact OH-CG 3.46Å | ||
| 326 | S | 27.9 | Very low | 29.1 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 43% | 0.434 | 70% | 0.698 | S | S | . | * | trans | -126.5 | -159.3 | -162.6 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | K303 Y304 | K303-S326 WeakPolarHBondContact CE-O 3.3Å; K303-S326 WeakPolarHBondContact CG-O 3.47Å; Y304-S326 VanDerWaalsContact CE2-O 3.31Å; Y304-S326 WeakPolarHBondContact CE2-O 3.16Å; Y304-S326 PolarHBondContact OH-N 3.41Å; Y304-S326 PolarHBondContact OH-OG 3.18Å | ||
| 327 | M | 29 | Very low | 28.6 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | cis | -163.1 | 163.6 | 15.9 | -172 | 170.3 | 170.9 | 0 | 0 | 109.7 | N302 K303 | N302-M327 CarbonylContact C-O 2.88Å; N302-M327 WeakPolarHBondContact CA-O 3.5Å; K303-M327 PolarHBondContact N-O 2.99Å | ||
| 328 | N | 28.6 | Very low | 27.3 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 57% | 0.567 | 70% | 0.698 | S | S | * | * | trans | -143.5 | 133.2 | -152.4 | -42.9 | 66 | 0 | 0 | 0 | 118.3 | N301 | N301-N328 HydrophobicContact CB-CB 4.36Å; N301-N328 PolarHBondContact OD1-ND2 3.19Å | ||
| 329 | C | 24.8 | Very low | 26.6 | Very low | 94 Ų | 94 | 131 Ų | 131 | 64% | 0.635 | 70% | 0.695 | S | S | * | * | trans | -173.6 | 141.5 | 151.6 | -151.1 | 0 | 0 | 0 | 0 | 110.3 | G300 N301 N302 | G300-C329 VanDerWaalsContact C-C 3.47Å; G300-C329 VanDerWaalsContact C-CA 3.49Å; G300-C329 WeakPolarHBondContact O-CA 3.48Å; G300-C329 PolarHBondContact O-N 2.82Å; N301-C329 VanDerWaalsContact C-C 3.4Å; N301-C329 CarbonylContact C-O 3.52Å; N301-C329 VanDerWaalsContact CA-C 3.5Å; N301-C329 VanDerWaalsContact O-O 3.05Å; N302-C329 PolarHBondContact N-O 2.85Å; N302-C329 VanDerWaalsContact N-O 3.07Å | ||
| 330 | S | 23.1 | Very low | 26.8 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 50% | 0.497 | 70% | 0.696 | S | S | . | * | cis | -155.9 | 164.6 | 9.6 | -162.2 | 0 | 0 | 0 | 0 | 116.4 | N299 G300 N301 | N299-S330 CarbonylContact O-C 3.59Å; N299-S330 WeakPolarHBondContact O-CA 3.38Å; N299-S330 PolarHBondContact O-OG 2.87Å; G300-S330 VanDerWaalsContact C-CA 3.45Å; N301-S330 VanDerWaalsContact N-N 3.15Å | ||
| 331 | K | 23.6 | Very low | 26.5 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 59% | 0.591 | 68% | 0.683 | S | S | * | * | trans | 84.9 | 151.2 | 158.2 | -89.9 | 169.1 | -176.2 | -177.7 | 0 | 130.4 | I298 N299 | I298-K331 VanDerWaalsContact O-CG 3.29Å; I298-K331 WeakPolarHBondContact O-CG 3.46Å; N299-K331 PolarHBondContact O-N 2.75Å | ||
| 332 | L | 26.8 | Very low | 26.5 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | trans | 93.2 | 163.6 | 159.5 | -81.4 | 169.4 | 0 | 0 | 0 | 123.9 | L297 I298 N299 | L297-L332 HydrophobicContact CD2-CD2 4.34Å; I298-L332 PolarHBondContact O-N 2.79Å; N299-L332 PolarHBondContact ND2-O 2.95Å | ||
| 333 | N | 24.5 | Very low | 26.2 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 57% | 0.572 | 67% | 0.671 | S | S | * | * | trans | -158.8 | 145.4 | -154.3 | 168.6 | 93 | 0 | 0 | 0 | 110.8 | ||||
| 334 | E | 26.3 | Very low | 26.1 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | trans | -138.2 | 122.6 | 167.7 | -96.6 | 177.6 | -173.2 | 0 | 0 | 112.4 | ||||
| 335 | N | 25.2 | Very low | 26.2 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | trans | -126.7 | 132.9 | 154.7 | -94.8 | -0.2 | 0 | 0 | 0 | 105.2 | ||||
| 336 | V | 28.5 | Very low | 26.1 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | -146.4 | 92.7 | 162.8 | -179.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 337 | D | 25.6 | Very low | 26 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | 69.2 | 121.5 | 93.2 | -63.3 | -40.4 | 0 | 0 | 0 | 114 | |||||
| 338 | F | 24.7 | Very low | 25.9 | Very low | 214 Ų | 214 | 129.2 Ų | 129.2 | 94% | 0.939 | 71% | 0.705 | S | S | * | * | -145.2 | 148.9 | 118.9 | -124.3 | -81.3 | 0 | 0 | 0 | 110.6 | |||||
| 339 | L | 23.6 | Very low | 25.6 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | trans | -117 | 153.2 | -170.4 | -162.5 | 81.7 | 0 | 0 | 0 | 110.7 | ||||
| 340 | N | 28.2 | Very low | 25.7 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | trans | 162.7 | 124.8 | 141.2 | -80.4 | -3.4 | 0 | 0 | 0 | 108.7 | ||||
| 341 | Q | 27 | Very low | 25.7 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | 69.1 | 131.8 | 70.9 | -66.8 | -170.3 | -85.8 | 0 | 0 | 113 | |||||
| 342 | D | 25.8 | Very low | 25.7 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | cis | -164.9 | 165.5 | -1 | -111.6 | -23 | 0 | 0 | 0 | 114.1 | ||||
| 343 | T | 25.3 | Very low | 25.5 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 68.6 | 141.1 | 146.7 | 48.1 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 344 | I | 26.3 | Very low | 25.5 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 77.6 | 136 | 144.7 | -72.7 | 161 | 0 | 0 | 0 | 117.4 | ||||
| 345 | T | 28.2 | Very low | 25.4 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | cis | -150 | 157.4 | 23.7 | -19.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 346 | N | 24.4 | Very low | 25.4 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 1.8 | 153.7 | 153.6 | -51.1 | -10.4 | 0 | 0 | 0 | 123.8 | ||||
| 347 | G | 27.2 | Very low | 25.1 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -170.9 | 22.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 348 | N | 25.6 | Very low | 25.2 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | 13.2 | 123.4 | 163.3 | -89.6 | -3.7 | 0 | 0 | 0 | 125.1 | ||||
| 349 | L | 23.8 | Very low | 25.1 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | 68.8 | 150.8 | 120.1 | -71.3 | 172.4 | 0 | 0 | 0 | 125.9 | |||||
| 350 | K | 26.1 | Very low | 25.2 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 72.3 | 125.9 | 167.1 | -66.4 | 179.5 | -179.8 | -177.8 | 0 | 117.2 | ||||
| 351 | A | 23 | Very low | 25 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | 98.6 | 117 | 11.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 352 | E | 22.8 | Very low | 24.9 | Very low | 206 Ų | 206 | 139 Ų | 139 | 96% | 0.963 | 79% | 0.788 | S | S | * | * | trans | 58.3 | 144 | 155.1 | -59.4 | -168.6 | 162.3 | 0 | 0 | 122.7 | ||||
| 353 | G | 24.3 | Very low | 24.8 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 162.8 | 97.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 354 | N | 23.8 | Very low | 25 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 152.8 | -177.7 | -67 | -44.5 | 0 | 0 | 0 | 113.8 | ||||
| 355 | A | 23.1 | Very low | 25.2 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | 166.5 | 169.5 | 104.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 356 | V | 26 | Very low | 25.5 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 87.8 | 129.1 | 157.7 | -164.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 357 | Y | 22.6 | Very low | 26.1 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -80.2 | 169.2 | 173.5 | -82.7 | -103.2 | 0 | 0 | 0 | 112.5 | ||||
| 358 | P | 26.5 | Very low | 26.7 | Very low | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | -143 | 161.3 | 104.9 | 36.8 | -23.4 | 0 | 0 | 0 | 115.8 | |||||
| 359 | V | 23.3 | Very low | 27.4 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -80.8 | 142 | 172.7 | 174 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 360 | T | 25.8 | Very low | 28.2 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | trans | -148.3 | 134.1 | 157.5 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 361 | N | 23.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | trans | -66.9 | 159.2 | 171.4 | -63.2 | -34.7 | 0 | 0 | 0 | 112.3 | ||||
| 362 | Y | 25.5 | Very low | 30.1 | Very low | 203 Ų | 203 | 123.3 Ų | 123.3 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | trans | -160.3 | 144.5 | 135.9 | -102 | -63.3 | 0 | 0 | 0 | 113.2 | ||||
| 363 | Q | 24.2 | Very low | 31.2 | Very low | 180 Ų | 180 | 116.7 Ų | 116.7 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | trans | -59.4 | 144.3 | 175.3 | -128.9 | 97.2 | -0.6 | 0 | 0 | 112.3 | ||||
| 364 | T | 29.1 | Very low | 32.2 | Very low | 104 Ų | 104 | 113.5 Ų | 113.5 | 64% | 0.638 | 61% | 0.612 | S | S | * | * | trans | -132 | 161.5 | 157.9 | 50 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 365 | T | 29.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | trans | -83.8 | 123.7 | -165.2 | 35.4 | 0 | 0 | 0 | 0 | 113.5 | S367 D368 | T365-S367 VanDerWaalsContact C-N 3.25Å; T365-S367 PolarHBondContact O-N 2.97Å; T365-D368 PolarHBondContact O-N 3.11Å | ||
| 366 | L | 34.7 | Very low | 34.4 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -45.9 | -41.2 | -173.4 | -165.1 | 73.1 | 0 | 0 | 0 | 114.7 | D368 Q369 Q370 | L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 2.94Å; L366-Q369 PolarHBondContact O-N 2.78Å; L366-Q370 HydrophobicContact CG-CG 4.47Å; L366-Q370 WeakPolarHBondContact O-CB 3.35Å; L366-Q370 WeakPolarHBondContact O-CG 3.21Å; L366-Q370 PolarHBondContact O-N 3.07Å |
| 367 | S | 38 | Very low | 35.4 | Very low | 60 Ų | 60 | 103.3 Ų | 103.3 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.3 | -33.6 | -177.9 | -172.9 | 0 | 0 | 0 | 0 | 113.8 | T365 K371 | T365-S367 VanDerWaalsContact C-N 3.25Å; T365-S367 PolarHBondContact O-N 2.97Å; S367-K371 VanDerWaalsContact O-CG 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.43Å; S367-K371 PolarHBondContact O-N 2.95Å; S367-K371 VanDerWaalsContact O-N 3.14Å; S367-K371 WeakPolarHBondContact OG-CE 3.44Å; S367-K371 PolarHBondContact OG-NZ 2.97Å |
| 368 | D | 39.7 | Very low | 36.3 | Very low | 89 Ų | 89 | 95.3 Ų | 95.3 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -89.9 | -26.8 | -177.6 | -61 | -41.3 | 0 | 0 | 0 | 112 | T365 L366 K371 A372 | T365-D368 PolarHBondContact O-N 3.11Å; L366-D368 VanDerWaalsContact C-N 3.27Å; L366-D368 PolarHBondContact O-N 2.94Å; D368-K371 PolarHBondContact O-N 3.42Å; D368-K371 IonicContact OD1-NZ 2.75Å; D368-K371 PolarHBondContact OD1-NZ 3.44Å; D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 3.19Å |
| 369 | Q | 40.7 | Very low | 37 | Very low | 107 Ų | 107 | 92.4 Ų | 92.4 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 164.7 | -69.6 | -176.1 | -77.3 | 0 | 0 | 111.1 | L366 K371 A372 F373 | L366-Q369 PolarHBondContact O-N 2.78Å; Q369-K371 PolarHBondContact O-N 3.31Å; Q369-A372 WeakPolarHBondContact O-CB 3.26Å; Q369-A372 PolarHBondContact O-N 3.4Å; Q369-F373 WeakPolarHBondContact O-CB 3.41Å; Q369-F373 PolarHBondContact O-N 3.08Å |
| 370 | Q | 39.3 | Very low | 37.6 | Very low | 78 Ų | 78 | 88.8 Ų | 88.8 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.8 | -74.1 | 172.1 | -28.4 | 0 | 0 | 111.9 | L366 F373 L374 | L366-Q370 HydrophobicContact CG-CG 4.47Å; L366-Q370 WeakPolarHBondContact O-CB 3.35Å; L366-Q370 WeakPolarHBondContact O-CG 3.21Å; L366-Q370 PolarHBondContact O-N 3.07Å; Q370-F373 PolarHBondContact O-N 2.91Å; Q370-L374 WeakPolarHBondContact O-CB 3.29Å; Q370-L374 WeakPolarHBondContact O-CD1 3.23Å; Q370-L374 WeakPolarHBondContact O-CG 3.48Å; Q370-L374 PolarHBondContact O-N 3.48Å |
| 371 | K | 44.7 | Very low | 37.8 | Very low | 89 Ų | 89 | 82.6 Ų | 82.6 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 173.1 | -70.8 | 167.9 | -153.6 | 142.7 | 0 | 113 | S367 D368 Q369 N375 | S367-K371 VanDerWaalsContact O-CG 3.31Å; S367-K371 WeakPolarHBondContact O-CG 3.43Å; S367-K371 PolarHBondContact O-N 2.95Å; S367-K371 VanDerWaalsContact O-N 3.14Å; S367-K371 WeakPolarHBondContact OG-CE 3.44Å; S367-K371 PolarHBondContact OG-NZ 2.97Å; D368-K371 PolarHBondContact O-N 3.42Å; D368-K371 IonicContact OD1-NZ 2.75Å; D368-K371 PolarHBondContact OD1-NZ 3.44Å; Q369-K371 PolarHBondContact O-N 3.31Å; K371-N375 PolarHBondContact O-N 3.33Å; K371-N375 PolarHBondContact O-ND2 2.85Å |
| 372 | A | 44.8 | Very low | 38 | Very low | 56 Ų | 56 | 79.3 Ų | 79.3 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D368 Q369 L374 N375 E376 | D368-A372 WeakPolarHBondContact O-CB 3.35Å; D368-A372 PolarHBondContact O-N 3.19Å; Q369-A372 WeakPolarHBondContact O-CB 3.26Å; Q369-A372 PolarHBondContact O-N 3.4Å; A372-L374 PolarHBondContact O-N 3.46Å; A372-N375 CarbonylContact O-C 3.52Å; A372-N375 WeakPolarHBondContact O-CA 3.45Å; A372-N375 WeakPolarHBondContact O-CB 3.34Å; A372-N375 PolarHBondContact O-N 3.43Å; A372-E376 PolarHBondContact O-N 2.87Å |
| 373 | F | 46.7 | Very low | 38.1 | Very low | 67 Ų | 67 | 72.7 Ų | 72.7 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 176.8 | -178.5 | -102 | 0 | 0 | 0 | 112.8 | Q369 Q370 N375 E376 M377 Q1590 | Q369-F373 WeakPolarHBondContact O-CB 3.41Å; Q369-F373 PolarHBondContact O-N 3.08Å; Q370-F373 PolarHBondContact O-N 2.91Å; F373-N375 PolarHBondContact O-N 3.42Å; F373-E376 PolarHBondContact O-N 3.13Å; F373-E376 VanDerWaalsContact O-N 3.15Å; F373-M377 PolarHBondContact O-N 2.99Å; F373-Q1590 HydrophobicContact CZ-CB 3.97Å; F373-Q1590 HydrophobicContact CZ-CG 4.43Å |
| 374 | L | 44 | Very low | 38.2 | Very low | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57 | -35.8 | 172.8 | -77.9 | 164.3 | 0 | 0 | 0 | 112.9 | Q370 A372 F1594 E1758 | Q370-L374 WeakPolarHBondContact O-CB 3.29Å; Q370-L374 WeakPolarHBondContact O-CD1 3.23Å; Q370-L374 WeakPolarHBondContact O-CG 3.48Å; Q370-L374 PolarHBondContact O-N 3.48Å; A372-L374 PolarHBondContact O-N 3.46Å; L374-F1594 HydrophobicContact CD2-CD2 3.44Å; L374-F1594 VanDerWaalsContact CD2-CD2 3.44Å; L374-F1594 HydrophobicContact CD2-CE2 3.36Å; L374-E1758 WeakPolarHBondContact CD1-OE1 3.35Å |
| 375 | N | 47.2 | Very low | 38.1 | Very low | 89 Ų | 89 | 67 Ų | 67 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -76.9 | -42.9 | 174.1 | -80.2 | -88 | 0 | 0 | 0 | 111.6 | K371 A372 F373 M377 L378 L379 | K371-N375 PolarHBondContact O-N 3.33Å; K371-N375 PolarHBondContact O-ND2 2.85Å; A372-N375 CarbonylContact O-C 3.52Å; A372-N375 WeakPolarHBondContact O-CA 3.45Å; A372-N375 WeakPolarHBondContact O-CB 3.34Å; A372-N375 PolarHBondContact O-N 3.43Å; F373-N375 PolarHBondContact O-N 3.42Å; N375-M377 VanDerWaalsContact C-N 3.32Å; N375-M377 PolarHBondContact O-N 2.69Å; N375-L378 PolarHBondContact O-N 3.26Å; N375-L378 VanDerWaalsContact O-N 3.1Å; N375-L379 HydrophobicContact CB-CD1 4.42Å; N375-L379 WeakPolarHBondContact O-CB 3.43Å; N375-L379 VanDerWaalsContact O-CD1 3.28Å; N375-L379 WeakPolarHBondContact O-CD1 3.19Å; N375-L379 PolarHBondContact O-N 2.75Å |
| 376 | E | 47.3 | Very low | 37.9 | Very low | 77 Ų | 77 | 66.6 Ų | 66.6 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.1 | -44.6 | 175.5 | -74 | -138.7 | 114.3 | 0 | 0 | 112.6 | A372 F373 L378 L379 S380 | A372-E376 PolarHBondContact O-N 2.87Å; F373-E376 PolarHBondContact O-N 3.13Å; F373-E376 VanDerWaalsContact O-N 3.15Å; E376-L378 PolarHBondContact O-N 3.34Å; E376-L379 PolarHBondContact O-N 2.97Å; E376-S380 WeakPolarHBondContact O-CB 3.41Å; E376-S380 PolarHBondContact O-N 3.08Å; E376-S380 PolarHBondContact O-OG 3.47Å |
| 377 | M | 47.1 | Very low | 37.4 | Very low | 19 Ų | 19 | 65 Ų | 65 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.8 | -24.8 | 179 | -167.1 | 176.9 | 65 | 0 | 0 | 113.1 | F373 N375 F1594 N1613 | F373-M377 PolarHBondContact O-N 2.99Å; N375-M377 VanDerWaalsContact C-N 3.32Å; N375-M377 PolarHBondContact O-N 2.69Å; M377-F1594 HydrophobicContact CE-CD1 3.76Å; M377-F1594 HydrophobicContact CE-CD2 3.8Å; M377-F1594 HydrophobicContact CE-CE1 3.68Å; M377-F1594 HydrophobicContact CE-CE2 3.71Å; M377-F1594 HydrophobicContact CE-CG 3.82Å; M377-F1594 HydrophobicContact CE-CZ 3.65Å; M377-F1594 HydrophobicContact SD-CD1 4.3Å; M377-F1594 HydrophobicContact SD-CG 4.32Å; M377-N1613 PolarHBondContact O-ND2 3.33Å |
| 378 | L | 41.7 | Very low | 36.6 | Very low | 42 Ų | 42 | 68.1 Ų | 68.1 | 22% | 0.22 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -103.9 | -24.8 | 172.8 | -88.2 | 144.9 | 0 | 0 | 0 | 114.4 | N375 E376 A381 A382 L1757 | N375-L378 PolarHBondContact O-N 3.26Å; N375-L378 VanDerWaalsContact O-N 3.1Å; E376-L378 PolarHBondContact O-N 3.34Å; L378-A381 CarbonylContact O-C 3.53Å; L378-A381 PolarHBondContact O-N 2.99Å; L378-A382 PolarHBondContact O-N 3.29Å; L378-L1757 HydrophobicContact CD1-CD1 3.48Å; L378-L1757 VanDerWaalsContact CD1-CD1 3.48Å; L378-L1757 HydrophobicContact CD1-CD2 3.36Å; L378-L1757 HydrophobicContact CD1-CG 3.98Å |
| 379 | L | 39.3 | Very low | 35.8 | Very low | 52 Ų | 52 | 69.9 Ų | 69.9 | 27% | 0.272 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 174.2 | -98.6 | 60.7 | 0 | 0 | 0 | 111.7 | N375 E376 A381 A382 A383 | N375-L379 HydrophobicContact CB-CD1 4.42Å; N375-L379 WeakPolarHBondContact O-CB 3.43Å; N375-L379 VanDerWaalsContact O-CD1 3.28Å; N375-L379 WeakPolarHBondContact O-CD1 3.19Å; N375-L379 PolarHBondContact O-N 2.75Å; E376-L379 PolarHBondContact O-N 2.97Å; L379-A381 PolarHBondContact O-N 3.19Å; L379-A382 CarbonylContact O-C 3.6Å; L379-A382 WeakPolarHBondContact O-CA 3.3Å; L379-A382 WeakPolarHBondContact O-CB 3.3Å; L379-A382 PolarHBondContact O-N 3.01Å; L379-A383 PolarHBondContact O-N 3.36Å |
| 380 | S | 37.1 | Very low | 35.1 | Very low | 46 Ų | 46 | 70.7 Ų | 70.7 | 32% | 0.322 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | 173.4 | -59 | 0 | 0 | 0 | 0 | 110.6 | E376 A382 A383 A384 | E376-S380 WeakPolarHBondContact O-CB 3.41Å; E376-S380 PolarHBondContact O-N 3.08Å; E376-S380 PolarHBondContact O-OG 3.47Å; S380-A382 PolarHBondContact O-N 3.03Å; S380-A383 PolarHBondContact O-N 2.94Å; S380-A384 PolarHBondContact O-N 2.83Å; S380-A384 VanDerWaalsContact O-N 3.08Å |
| 381 | A | 29.1 | Very low | 34.3 | Very low | 2 Ų | 2 | 70.8 Ų | 70.8 | 2% | 0.017 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -71.6 | -4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L378 L379 I1617 Q1667 K1671 | L378-A381 CarbonylContact O-C 3.53Å; L378-A381 PolarHBondContact O-N 2.99Å; L379-A381 PolarHBondContact O-N 3.19Å; A381-I1617 HydrophobicContact CB-CD1 3.6Å; A381-Q1667 VanDerWaalsContact CB-NE2 3.33Å; A381-Q1667 PolarHBondContact O-NE2 2.85Å; A381-K1671 WeakPolarHBondContact O-CE 3.27Å; A381-K1671 PolarHBondContact O-NZ 3.03Å |
| 382 | A | 27.5 | Very low | 33.3 | Very low | 77 Ų | 77 | 72.1 Ų | 72.1 | 64% | 0.636 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -107.3 | -10.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L378 L379 S380 | L378-A382 PolarHBondContact O-N 3.29Å; L379-A382 CarbonylContact O-C 3.6Å; L379-A382 WeakPolarHBondContact O-CA 3.3Å; L379-A382 WeakPolarHBondContact O-CB 3.3Å; L379-A382 PolarHBondContact O-N 3.01Å; S380-A382 PolarHBondContact O-N 3.03Å |
| 383 | A | 28.2 | Very low | 32.4 | Very low | 64 Ų | 64 | 74 Ų | 74 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -91.8 | -29.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L379 S380 V385 S386 | L379-A383 PolarHBondContact O-N 3.36Å; S380-A383 PolarHBondContact O-N 2.94Å; A383-V385 PolarHBondContact O-N 3.47Å; A383-S386 PolarHBondContact O-N 2.95Å |
| 384 | A | 27.4 | Very low | 31.6 | Very low | 50 Ų | 50 | 77.6 Ų | 77.6 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 29.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S380 I1617 | S380-A384 PolarHBondContact O-N 2.83Å; S380-A384 VanDerWaalsContact O-N 3.08Å; A384-I1617 HydrophobicContact CB-CD1 4.29Å; A384-I1617 HydrophobicContact CB-CG1 3.97Å; A384-I1617 HydrophobicContact CB-CG2 4.34Å |
| 385 | V | 26.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 82.5 Ų | 82.5 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | 29.4 | 173.7 | -161.7 | 0 | 0 | 0 | 0 | 109.9 | A383 | A383-V385 PolarHBondContact O-N 3.47Š|
| 386 | S | 23.9 | Very low | 29.7 | Very low | 91 Ų | 91 | 84.7 Ų | 84.7 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -152.1 | 19.3 | -176.1 | -70.8 | 0 | 0 | 0 | 0 | 115.6 | A383 | A383-S386 PolarHBondContact O-N 2.95Š|
| 387 | A | 24.5 | Very low | 28.8 | Very low | 84 Ų | 84 | 87.7 Ų | 87.7 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | trans | -148.1 | 120.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 388 | S | 21.6 | Very low | 27.7 | Very low | 126 Ų | 126 | 97.1 Ų | 97.1 | 88% | 0.881 | 59% | 0.594 | S | S | * | * | trans | -154.6 | 40.7 | 165.4 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 389 | T | 22.9 | Very low | 27.1 | Very low | 126 Ų | 126 | 101.7 Ų | 101.7 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | trans | -158.2 | 135.1 | 172.1 | 50.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 390 | V | 25.9 | Very low | 26.6 | Very low | 125 Ų | 125 | 106.6 Ų | 106.6 | 76% | 0.758 | 65% | 0.645 | S | S | * | * | cis | -152.2 | 169.7 | -7.4 | 119.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 391 | S | 22.6 | Very low | 26.1 | Very low | 79 Ų | 79 | 107.8 Ų | 107.8 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | trans | -34.8 | 139.5 | 179 | 58 | 0 | 0 | 0 | 0 | 117 | ||||
| 392 | V | 24.6 | Very low | 26.1 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 72% | 0.715 | 70% | 0.702 | S | S | * | * | trans | -105.5 | 132.1 | 158.1 | 176.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 393 | S | 25.3 | Very low | 26.1 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | -149.5 | 144.2 | 161.3 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 394 | K | 29.1 | Very low | 26.1 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 61% | 0.613 | 72% | 0.716 | S | S | * | * | trans | 141.4 | 130.1 | 144.1 | -80.8 | 173.6 | 178.5 | -180 | 0 | 113.2 | T164 | T164-K394 PolarHBondContact OG1-NZ 3.31Š| ||
| 395 | S | 25.4 | Very low | 26.2 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -171.2 | 147.5 | 137.3 | 57.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 396 | D | 26.2 | Very low | 26.3 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | cis | -172 | 138.1 | -41.6 | -117.8 | -29.6 | 0 | 0 | 0 | 107.4 | ||||
| 397 | N | 28.1 | Very low | 26.5 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 173.3 | 141.7 | 166.2 | -95 | -38.4 | 0 | 0 | 0 | 109.4 | ||||
| 398 | R | 24.3 | Very low | 26.8 | Very low | 216 Ų | 216 | 129 Ų | 129 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | cis | -165.5 | 164.5 | -16.5 | -144.4 | 179.1 | -175.3 | -179.3 | -1.1 | 108.9 | ||||
| 399 | L | 29.8 | Very low | 27 | Very low | 138 Ų | 138 | 128.4 Ų | 128.4 | 72% | 0.723 | 73% | 0.732 | S | S | * | * | trans | 79.7 | 122.1 | 162.2 | -57.6 | 162.6 | 0 | 0 | 0 | 120.6 | ||||
| 400 | N | 27.9 | Very low | 27.9 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | 28 | 144.8 | 126.5 | -46 | -11.4 | 0 | 0 | 0 | 120.9 | |||||
| 401 | G | 26.6 | Very low | 28.1 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | cis | 147 | 157.3 | -2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 402 | S | 29.3 | Very low | 28.5 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | 69.7 | 153.8 | 176.7 | -85.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 403 | F | 27.2 | Very low | 28.7 | Very low | 174 Ų | 174 | 128 Ų | 128 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | cis | -179.1 | 144.9 | -38.1 | -119.1 | -43.6 | 0 | 0 | 0 | 111.3 | ||||
| 404 | I | 29.7 | Very low | 29.2 | Very low | 134 Ų | 134 | 129 Ų | 129 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | 65.2 | 146.2 | 142.2 | -87.1 | 163.5 | 0 | 0 | 0 | 119.2 | ||||
| 405 | N | 29.2 | Very low | 29 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 57% | 0.572 | 76% | 0.762 | S | S | * | * | cis | -161.5 | 160.6 | 1.6 | -127.3 | -10.1 | 0 | 0 | 0 | 114 | ||||
| 406 | Q | 28.4 | Very low | 29.6 | Very low | 158 Ų | 158 | 127.5 Ų | 127.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 54 | 144.1 | 144.3 | -66.8 | 162.5 | -1 | 0 | 0 | 120 | ||||
| 407 | T | 28.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | cis | -158.4 | -170.9 | 16.9 | -13.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 408 | S | 29.5 | Very low | 29.6 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -158 | -157.1 | 5.3 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 409 | S | 27.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -165.3 | -164.5 | -175.8 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 410 | P | 41.3 | Very low | 29.5 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | cis | -145.9 | -168.1 | -0.6 | 44.6 | -23.8 | 0 | 0 | 0 | 118.3 | ||||
| 411 | A | 30.2 | Very low | 29.5 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 78.4 | 150 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 412 | A | 30.2 | Very low | 30.2 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | cis | -170.9 | 176.8 | -16.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 413 | T | 30.3 | Very low | 30.3 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | 80.2 | 150.1 | 166.6 | 76 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 414 | S | 34 | Very low | 30.6 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | cis | -152.4 | 177.4 | 0.5 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 415 | S | 25.5 | Very low | 30.6 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -132.6 | -168.3 | -178.3 | -29.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 416 | P | 39 | Very low | 30.8 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -141.4 | -168.1 | -21.3 | 38.2 | -16.4 | 0 | 0 | 0 | 116.2 | ||||
| 417 | S | 28 | Very low | 31 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | 94 | 117.8 | 134.6 | 65.9 | 0 | 0 | 0 | 0 | 128 | ||||
| 418 | F | 25.4 | Very low | 31 | Very low | 178 Ų | 178 | 125.3 Ų | 125.3 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | 82.1 | 146.2 | 125.4 | -88.2 | -101.1 | 0 | 0 | 0 | 128.4 | |||||
| 419 | F | 26.8 | Very low | 31.5 | Very low | 190 Ų | 190 | 125.2 Ų | 125.2 | 83% | 0.833 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 162.8 | 163.6 | -59.8 | -64.8 | 0 | 0 | 0 | 120.4 | ||||
| 420 | A | 25.8 | Very low | 31.7 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -165.4 | 172.3 | -34.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 421 | S | 27.4 | Very low | 31.2 | Very low | 79 Ų | 79 | 126.9 Ų | 126.9 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | trans | -102.8 | -174 | -170.5 | -12.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 422 | P | 42.3 | Very low | 31.2 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | cis | -141.3 | -169.5 | -20.9 | 37.5 | -15.7 | 0 | 0 | 0 | 116.2 | ||||
| 423 | T | 31.2 | Very low | 31.3 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | 137.3 | 115.7 | 135.4 | -54.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 424 | L | 33.6 | Very low | 31.3 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | 61.4 | 148.3 | 147.8 | -75.8 | 168.5 | 0 | 0 | 0 | 128.6 | ||||
| 425 | L | 29.3 | Very low | 31.7 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | 80 | 155.9 | 167.3 | -94.7 | 65 | 0 | 0 | 0 | 120.2 | ||||
| 426 | G | 32.4 | Very low | 31.9 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | cis | 169.6 | 154.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 427 | Q | 32.5 | Very low | 31.4 | Very low | 202 Ų | 202 | 132 Ų | 132 | 94% | 0.944 | 76% | 0.757 | S | S | * | * | trans | 71.3 | 165.1 | 168.7 | -70.1 | -170.3 | -10.5 | 0 | 0 | 122.3 | ||||
| 428 | L | 28.8 | Very low | 31.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | trans | -143.6 | -172.7 | -160.7 | -121.7 | 84.2 | 0 | 0 | 0 | 110.5 | ||||
| 429 | P | 40 | Very low | 31.6 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | cis | -135.8 | 174.6 | -2.6 | 43 | -26.3 | 0 | 0 | 0 | 116.5 | ||||
| 430 | S | 32.6 | Very low | 31.5 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | 154 | 147 | 124.1 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 431 | N | 30.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 129 Ų | 129 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | -11.8 | 138.8 | 171.5 | -49.7 | 8.5 | 0 | 0 | 0 | 118.1 | ||||
| 432 | D | 30.4 | Very low | 31.4 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | cis | -164.6 | -160.3 | -13.2 | -155.5 | -137.4 | 0 | 0 | 0 | 106 | ||||
| 433 | S | 31.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | cis | -150.6 | -144.7 | 7.2 | 71 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 434 | N | 29.3 | Very low | 30.6 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | trans | -159.5 | 167.2 | -149.8 | -85 | -62.1 | 0 | 0 | 0 | 112.7 | ||||
| 435 | P | 42.6 | Very low | 30.2 | Very low | 101 Ų | 101 | 124.1 Ų | 124.1 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | cis | -144.4 | 154.9 | -38.8 | 39.4 | -22.7 | 0 | 0 | 0 | 116.3 | ||||
| 436 | T | 29.7 | Very low | 30 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -55.5 | 173.4 | 151.1 | 58.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 437 | K | 29 | Very low | 29.8 | Very low | 187 Ų | 187 | 126 Ų | 126 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | -166.4 | 153.4 | 112.2 | -109 | 151.1 | -170 | 165.1 | 0 | 119.1 | |||||
| 438 | S | 21.2 | Very low | 29.6 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -133.2 | -171.8 | 161.4 | 78 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 439 | P | 35.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | trans | -115.2 | -176.8 | -135.6 | 27.4 | -6.1 | 0 | 0 | 0 | 117.6 | ||||
| 440 | F | 25 | Very low | 29.1 | Very low | 178 Ų | 178 | 119.8 Ų | 119.8 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | trans | 86.2 | 113.2 | 166.1 | -73.9 | -83.7 | 0 | 0 | 0 | 120.8 | ||||
| 441 | T | 26.6 | Very low | 28.9 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 64% | 0.644 | 69% | 0.694 | S | S | * | * | trans | 38.7 | 140 | 133.6 | 60.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 442 | L | 25.9 | Very low | 28.7 | Very low | 62 Ų | 62 | 119.8 Ų | 119.8 | 33% | 0.325 | 68% | 0.684 | S | S | . | * | cis | -165.9 | 122.5 | -0.3 | -110.2 | 161.2 | 0 | 0 | 0 | 108.7 | N268 N270 | N268-L442 WeakPolarHBondContact OD1-CD2 3.35Å; N270-L442 HydrophobicContact CB-CB 3.78Å | ||
| 443 | L | 26.8 | Very low | 28.9 | Very low | 99 Ų | 99 | 117.4 Ų | 117.4 | 52% | 0.518 | 68% | 0.677 | S | S | . | * | trans | 48 | 168 | 131 | -102 | 63.4 | 0 | 0 | 0 | 121.1 | N268 S269 | N268-L443 HydrophobicContact CB-CD2 4.23Å; S269-L443 VanDerWaalsContact OG-C 3.26Å; S269-L443 PolarHBondContact OG-O 2.88Å | ||
| 444 | N | 28.8 | Very low | 28.5 | Very low | 73 Ų | 73 | 120 Ų | 120 | 39% | 0.39 | 68% | 0.676 | S | S | . | * | cis | -160.1 | 159.5 | -6.2 | -179.1 | 34.8 | 0 | 0 | 0 | 108.5 | I267 S269 | I267-N444 VanDerWaalsContact CG2-ND2 3.3Å; I267-N444 WeakPolarHBondContact CG2-ND2 3.45Å; S269-N444 WeakPolarHBondContact OG-CB 3.31Å; S269-N444 PolarHBondContact OG-N 2.68Å | ||
| 445 | N | 24.5 | Very low | 28.2 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | -172.5 | 137 | 136.3 | -115.4 | -25 | 0 | 0 | 0 | 114.3 | ||||
| 446 | I | 25.8 | Very low | 27.4 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | trans | 66.1 | 135.8 | 154.1 | -56.6 | 167.1 | 0 | 0 | 0 | 115.1 | ||||
| 447 | T | 27.3 | Very low | 27.2 | Very low | 140 Ų | 140 | 123 Ų | 123 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | cis | -138 | 149.9 | 9.9 | -6.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 448 | G | 29 | Very low | 27 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | 167.5 | 67.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 449 | L | 25.5 | Very low | 27.1 | Very low | 160 Ų | 160 | 120.4 Ų | 120.4 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -129.1 | 142.6 | 166.8 | -93.9 | 169.5 | 0 | 0 | 0 | 108.2 | ||||
| 450 | P | 32.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | -148.8 | 165.7 | 91.8 | 40.3 | -24.6 | 0 | 0 | 0 | 116.3 | |||||
| 451 | N | 29.2 | Very low | 27.1 | Very low | 144 Ų | 144 | 118.3 Ų | 118.3 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | 58.6 | 124.1 | 150.2 | -59.4 | -9.2 | 0 | 0 | 0 | 118.8 | ||||
| 452 | I | 26.2 | Very low | 27.2 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | cis | 64.7 | 127.3 | 32.9 | -79.2 | 173.5 | 0 | 0 | 0 | 113.9 | ||||
| 453 | P | 34 | Very low | 27.2 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | cis | -149.6 | -167.4 | -20.2 | 45.4 | -26.7 | 0 | 0 | 0 | 116 | ||||
| 454 | F | 23.1 | Very low | 27.3 | Very low | 153 Ų | 153 | 125.4 Ų | 125.4 | 67% | 0.671 | 70% | 0.703 | S | S | * | * | trans | 39.5 | 141.6 | 148.8 | -66.6 | -60.9 | 0 | 0 | 0 | 121.5 | L262 | L262-F454 HydrophobicContact CD2-CE2 3.76Å; L262-F454 HydrophobicContact CD2-CZ 4.36Å | ||
| 455 | Q | 23.7 | Very low | 27.3 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | -174.4 | 169 | 71.9 | -172 | 65 | 16.2 | 0 | 0 | 111.5 | |||||
| 456 | L | 25.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 69% | 0.686 | 72% | 0.719 | S | S | * | * | trans | -70.2 | 158.9 | 165.8 | -56.3 | 91.7 | 0 | 0 | 0 | 112.8 | ||||
| 457 | P | 26.4 | Very low | 27.6 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | -135.4 | 159.2 | 122.9 | 36.3 | -25.9 | 0 | 0 | 0 | 112.7 | |||||
| 458 | V | 23.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | cis | 52.6 | 94.3 | -6 | -168 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 459 | N | 24.7 | Very low | 27.6 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | cis | -166.9 | 170 | 35.1 | -117.2 | -5.8 | 0 | 0 | 0 | 111.9 | ||||
| 460 | T | 28.2 | Very low | 27.7 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | 50.9 | 129.7 | 151.6 | 51.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 461 | P | 31 | Very low | 27.5 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -91.2 | 174.8 | 173.5 | 40.1 | -37.2 | 0 | 0 | 0 | 113.5 | ||||
| 462 | Q | 29 | Very low | 27.6 | Very low | 171 Ų | 171 | 120.9 Ų | 120.9 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | trans | 75.7 | 140.3 | 160.8 | -63.5 | -151.9 | -12.1 | 0 | 0 | 118.1 | ||||
| 463 | I | 27.4 | Very low | 27.9 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 61% | 0.61 | 72% | 0.723 | S | S | * | * | cis | -152 | 160.2 | -10.8 | -128.2 | 175.5 | 0 | 0 | 0 | 112.8 | ||||
| 464 | N | 27.5 | Very low | 28.2 | Very low | 125 Ų | 125 | 123 Ų | 123 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 6 | 138.6 | 159.8 | -46.7 | -19.1 | 0 | 0 | 0 | 120.7 | ||||
| 465 | C | 28.7 | Very low | 28.6 | Very low | 119 Ų | 119 | 122 Ų | 122 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | -150 | 117.9 | 94.2 | -101.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 466 | S | 29.7 | Very low | 29 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | 80.5 | 90.9 | 90 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 467 | S | 27.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | 86.6 | 106 | 77.8 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 468 | G | 27.4 | Very low | 29.5 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | 161.4 | 115.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 469 | T | 28.7 | Very low | 30 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 31.5 | 96.7 | 145.6 | 9.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 470 | T | 27.4 | Very low | 30.2 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 36.5 | 125.1 | 130 | 57.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 471 | T | 29.6 | Very low | 30.6 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 73 | 118.2 | 144 | 51.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 472 | S | 31.1 | Very low | 30.5 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | 72.1 | 105.9 | 142.6 | 51.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 473 | I | 31.8 | Very low | 30.5 | Very low | 161 Ų | 161 | 122 Ų | 122 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | 63.4 | 130.6 | 109.5 | -69.3 | 161 | 0 | 0 | 0 | 119.4 | |||||
| 474 | P | 40.9 | Very low | 30.6 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | -138.1 | -165.7 | -57.1 | 36.1 | -12.6 | 0 | 0 | 0 | 114 | |||||
| 475 | T | 30.5 | Very low | 30.7 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 72 | 153.6 | 165.1 | 66.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 476 | S | 31.2 | Very low | 30.7 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | cis | -176.8 | 132 | -48.2 | 50.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 477 | G | 32.3 | Very low | 30.6 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 151.9 | 116.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 478 | I | 31.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 119 Ų | 119 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | trans | 67.6 | 148 | 134 | -29.4 | -173 | 0 | 0 | 0 | 123.3 | ||||
| 479 | H | 34.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 124.8 Ų | 124.8 | 73% | 0.731 | 78% | 0.775 | S | S | * | * | trans | 77.6 | 143.5 | 170.8 | -78.6 | -89.9 | 0 | 0 | 0 | 118.4 | ||||
| 480 | E | 28.2 | Very low | 30.5 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | cis | -167.2 | -175.6 | -24.9 | -145.3 | 178.7 | -177.9 | 0 | 0 | 111.3 | ||||
| 481 | L | 36.8 | Very low | 30.4 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 78.4 | 161.5 | 173.1 | -55.4 | 176.9 | 0 | 0 | 0 | 117.4 | ||||
| 482 | S | 28.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -146.9 | 160.8 | -160.8 | -39.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 483 | P | 29.9 | Very low | 30.1 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | -139.3 | 149.4 | 65.8 | 39.1 | -23.3 | 0 | 0 | 0 | 116.9 | |||||
| 484 | S | 27.8 | Very low | 29.7 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 49.6 | 134.9 | 147.6 | 59.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 485 | S | 30.7 | Very low | 29 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | cis | -159.9 | 140.4 | -10.1 | -85.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 486 | S | 29.3 | Very low | 28.9 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -136.3 | -157.1 | 173.2 | 68.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 487 | S | 27 | Very low | 29.5 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 73.2 | 145.5 | -174.8 | 77.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 488 | G | 33.8 | Very low | 29.1 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | cis | 105.2 | 151.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 489 | L | 24.9 | Very low | 28.8 | Very low | 187 Ų | 187 | 126.2 Ų | 126.2 | 98% | 0.979 | 76% | 0.764 | S | S | * | * | trans | 71.1 | 140.5 | -166.6 | -49.9 | 174.1 | 0 | 0 | 0 | 113.5 | ||||
| 490 | G | 23.6 | Very low | 28.4 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 174.4 | 23.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 491 | L | 24.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 122 Ų | 122 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 61.3 | 116.5 | 160.3 | -55.5 | -179.4 | 0 | 0 | 0 | 117.7 | ||||
| 492 | S | 25.8 | Very low | 27.9 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | 58.4 | 97.9 | 73.3 | 85.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 493 | S | 27.6 | Very low | 28 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 84.1 | 152.4 | 81.7 | 71.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 494 | V | 24.8 | Very low | 28 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -72.4 | 129.9 | -177.6 | -162.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 495 | N | 25.4 | Very low | 28 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | 173.2 | 160.4 | 127 | -84.1 | -21.5 | 0 | 0 | 0 | 112 | |||||
| 496 | S | 28.9 | Very low | 28 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -103.6 | 178.2 | 179.5 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 497 | P | 43.7 | Very low | 27.8 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | cis | -131.2 | -168.7 | -18.6 | 19 | 7.2 | 0 | 0 | 0 | 112.7 | ||||
| 498 | F | 25 | Very low | 27.7 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 68.9 | 148.7 | 161.6 | -69.2 | -67.7 | 0 | 0 | 0 | 117.3 | ||||
| 499 | E | 24.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | cis | -154.4 | 179.5 | -12.3 | -147.2 | 157.9 | -150.7 | 0 | 0 | 111 | ||||
| 500 | T | 26.1 | Very low | 27.3 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -3.8 | 154.6 | 157.8 | 45 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 501 | S | 26.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -173.1 | -177.2 | 2.8 | 47.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 502 | T | 28.4 | Very low | 27.3 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | -60.2 | 156.7 | 171.5 | 50.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 503 | I | 31.3 | Very low | 27.2 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -163.2 | 156.1 | 133.9 | -105.3 | 156 | 0 | 0 | 0 | 111 | ||||
| 504 | T | 28.8 | Very low | 27.1 | Very low | 133 Ų | 133 | 133 Ų | 133 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -131.1 | 165 | 179 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 505 | V | 28.7 | Very low | 27.2 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -134.3 | 113.7 | 163.3 | -167.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 506 | T | 29.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | 39.5 | 134 | 100.9 | 14.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 507 | T | 26.9 | Very low | 27.9 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | cis | -122.4 | 165 | 8.9 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 508 | L | 24.8 | Very low | 27.1 | Very low | 158 Ų | 158 | 129.9 Ų | 129.9 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -153.4 | 147.8 | 26.9 | -171.7 | 72.8 | 0 | 0 | 0 | 111.8 | ||
| 509 | A | 25 | Very low | 27.4 | Very low | 77 Ų | 77 | 126.4 Ų | 126.4 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | 61 | 106.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 510 | N | 24.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | 76.4 | 127.2 | 88.6 | -67.3 | -5.7 | 0 | 0 | 0 | 114.3 | |||||
| 511 | T | 22.6 | Very low | 28.1 | Very low | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | cis | -165.9 | 149.9 | 9.4 | 10.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 512 | V | 25.2 | Very low | 28.3 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 84.4 | 109.3 | 141.9 | 168.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 513 | F | 24.7 | Very low | 28.4 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | 74.6 | 125.2 | 135.8 | -80.1 | -127 | 0 | 0 | 0 | 126.2 | ||||
| 514 | M | 24.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 73.2 | 169.8 | 141.9 | -61.3 | -64.5 | 180 | 0 | 0 | 122.4 | ||||
| 515 | S | 25.8 | Very low | 28.2 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | 179.6 | 153.9 | -57.8 | -91.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 516 | S | 28.8 | Very low | 28.3 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 66.7 | -179.5 | 161.7 | -63.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 517 | P | 40.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 124 Ų | 124 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | -136.7 | 175.6 | -61.8 | 41.9 | -26.9 | 0 | 0 | 0 | 116.6 | |||||
| 518 | S | 27.2 | Very low | 28.7 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | trans | 37.5 | 116.2 | 146 | 66.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 519 | S | 31.9 | Very low | 29 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 54.1 | 121.9 | 132.9 | 67.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 520 | S | 35.1 | Very low | 28.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 73 | 127.4 | 148.4 | 77.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 521 | S | 28.2 | Very low | 29.1 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 172 | 159.9 | 136.1 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 522 | S | 32.5 | Very low | 29.1 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -89.1 | 127.1 | 133.5 | -57.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 523 | P | 30.4 | Very low | 29 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | -134.6 | 128.9 | 75.4 | 35.5 | -22.3 | 0 | 0 | 0 | 114.2 | N525 | P523-N525 PolarHBondContact O-N 2.85Š| |||
| 524 | T | 29.9 | Very low | 29.3 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | trans | -83.3 | 81.2 | 163 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | S526 | T524-S526 PolarHBondContact O-N 2.85Š| ||
| 525 | N | 25.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -76.8 | 105.2 | 147.6 | -94.7 | 4.9 | 0 | 0 | 0 | 107.4 | P523 | P523-N525 PolarHBondContact O-N 2.85Š| ||
| 526 | S | 31.6 | Very low | 30.4 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | 17.6 | 127.1 | 128.3 | 177.9 | 0 | 0 | 0 | 0 | 116.7 | T524 | T524-S526 PolarHBondContact O-N 2.85Š| |||
| 527 | L | 33.9 | Very low | 30.3 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | cis | -171.6 | 168.6 | -0.6 | -125.1 | 158.9 | 0 | 0 | 0 | 108.6 | ||||
| 528 | G | 29.8 | Very low | 29.7 | Very low | 44 Ų | 44 | 124 Ų | 124 | 45% | 0.454 | 77% | 0.77 | S | S | . | * | trans | 112.5 | 114.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 529 | Y | 30.1 | Very low | 30.2 | Very low | 223 Ų | 223 | 124.6 Ų | 124.6 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | S | Bend | -119.8 | 139.5 | 113.6 | -84.2 | -98.2 | 0 | 0 | 0 | 105.7 | S531 | Y529-S531 WeakPolarHBondContact CD1-OG 3.42Å; Y529-S531 WeakPolarHBondContact CE1-OG 3.46Å | |
| 530 | R | 23 | Very low | 30 | Very low | 246 Ų | 246 | 125.7 Ų | 125.7 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -71.3 | 155.8 | 14.3 | -63.8 | 179.9 | 173.9 | -129.5 | -2.4 | 115.5 | ||
| 531 | S | 28.9 | Very low | 29.5 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 52% | 0.524 | 78% | 0.784 | S | S | . | * | trans | -95.8 | -171.9 | -179 | -40.6 | 0 | 0 | 0 | 0 | 112.6 | Y529 | Y529-S531 WeakPolarHBondContact CD1-OG 3.42Å; Y529-S531 WeakPolarHBondContact CE1-OG 3.46Å | ||
| 532 | I | 23.2 | Very low | 29.3 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 87.3 | 113.8 | -166 | -57.1 | 170 | 0 | 0 | 0 | 109.6 | ||||
| 533 | T | 22.2 | Very low | 28.9 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | cis | -136.4 | 162.6 | 10 | -25.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 534 | S | 32.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -117.4 | -172.3 | 173.7 | -37.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 535 | P | 40.7 | Very low | 28.7 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | cis | -130 | -169.8 | -12.9 | 39.7 | -22.1 | 0 | 0 | 0 | 112.7 | ||||
| 536 | G | 31.5 | Very low | 28.9 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -91.2 | 162.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 537 | G | 26.8 | Very low | 28.9 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 173.6 | 146.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 538 | C | 27.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -91.1 | 134.7 | -176.3 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 539 | S | 39.6 | Very low | 28.9 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 52.9 | 115.7 | 152.2 | -59.1 | 0 | 0 | 0 | 0 | 120.5 | ||
| 540 | S | 27.6 | Very low | 29 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | 76.9 | 130.5 | 154.9 | 75.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 541 | G | 23.5 | Very low | 29.4 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | 106.7 | 120.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 542 | G | 23.9 | Very low | 29.4 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 97.4 | 81.5 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 543 | Q | 24.6 | Very low | 29.7 | Very low | 186 Ų | 186 | 123.3 Ų | 123.3 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | 25.4 | 143.5 | 139.4 | -66.8 | -172.2 | -19.3 | 0 | 0 | 124.2 | ||||
| 544 | S | 28 | Very low | 29.9 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | 80 | 119.5 | 142.1 | 80.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 545 | N | 29 | Very low | 29.6 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 98.5 | 149.5 | 85.4 | -80.8 | -11.2 | 0 | 0 | 0 | 111.3 | |||||
| 546 | I | 28.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | cis | -151.3 | 130.2 | 1.8 | -120.2 | 157 | 0 | 0 | 0 | 106 | ||||
| 547 | N | 32.2 | Very low | 28.6 | Very low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | 90.8 | 164.5 | 69.8 | -160.1 | 4.2 | 0 | 0 | 0 | 113.6 | |||||
| 548 | I | 31.5 | Very low | 29 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 57% | 0.574 | 76% | 0.759 | S | S | * | * | trans | 78.9 | 131.5 | 162.2 | -71.1 | 154.2 | 0 | 0 | 0 | 116.6 | ||||
| 549 | R | 30.8 | Very low | 29 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | cis | -157.9 | 139.2 | -1.7 | -113.7 | -178.9 | -178.1 | 130.5 | 0.6 | 110.3 | ||||
| 550 | N | 33.2 | Very low | 28.4 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | 71.5 | 152.2 | 92.5 | -74.7 | 56.9 | 0 | 0 | 0 | 115.7 | |||||
| 551 | N | 30.8 | Very low | 28.4 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -153.5 | -176.9 | 19.1 | -99.4 | -21.5 | 0 | 0 | 0 | 109.1 | ||||
| 552 | L | 28.8 | Very low | 28.6 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | -177.7 | 172.7 | -50.8 | -127.8 | 151.1 | 0 | 0 | 0 | 108.9 | |||||
| 553 | L | 29.3 | Very low | 28.8 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | 73.8 | 157.7 | 173.9 | -82.1 | 68 | 0 | 0 | 0 | 118.5 | ||||
| 554 | S | 27.8 | Very low | 28.8 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | cis | -174.2 | 135.5 | -39.4 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 555 | N | 26.3 | Very low | 28.7 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | 66.2 | 135.7 | 148.5 | -69.2 | -9.2 | 0 | 0 | 0 | 124.5 | ||||
| 556 | M | 25.7 | Very low | 28.6 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | trans | 82.3 | 104.1 | 145.2 | -71.5 | -82.6 | -98.5 | 0 | 0 | 122.9 | ||||
| 557 | R | 24.8 | Very low | 28.7 | Very low | 222 Ų | 222 | 153 Ų | 153 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | 65 | 147.3 | 152.1 | -81.3 | -175.8 | 171.4 | 173.7 | -2 | 119.9 | ||||
| 558 | T | 35.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 154 Ų | 154 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | 65.1 | 141.8 | 177.6 | 68.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 559 | T | 27.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -153.1 | 161.5 | -20.9 | 10.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 560 | H | 26.3 | Very low | 28 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | trans | 74.8 | 122.4 | 176.6 | -80.8 | -118.9 | 0 | 0 | 0 | 119.1 | ||||
| 561 | K | 27.5 | Very low | 27.6 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 13.5 | 143.2 | 141.7 | -60 | 177 | -178.3 | 177.3 | 0 | 120.2 | ||||
| 562 | S | 27.1 | Very low | 27.4 | Very low | 97 Ų | 97 | 154.2 Ų | 154.2 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -178 | 158.5 | -10 | 48.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 563 | Q | 28.8 | Very low | 27.5 | Very low | 191 Ų | 191 | 155.6 Ų | 155.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 85.2 | 100.4 | 169 | -57.9 | -170.8 | -78.2 | 0 | 0 | 117.6 | ||||
| 564 | E | 24.5 | Very low | 27.9 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -112.8 | 168.3 | 167.3 | -65.1 | -173.3 | 122.6 | 0 | 0 | 108.1 | ||||
| 565 | F | 26 | Very low | 28.1 | Very low | 189 Ų | 189 | 160.4 Ų | 160.4 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | cis | -155.5 | 179.5 | -11.8 | -133.4 | -122.3 | 0 | 0 | 0 | 108 | ||||
| 566 | N | 26.4 | Very low | 28.1 | Very low | 158 Ų | 158 | 160.9 Ų | 160.9 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -92.4 | 154.6 | 175 | -84.3 | -56.9 | 0 | 0 | 0 | 114.1 | ||||
| 567 | H | 32 | Very low | 28.3 | Very low | 182 Ų | 182 | 156.7 Ų | 156.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 141.3 | 176.6 | -83.6 | -81.4 | 0 | 0 | 0 | 114.2 | ||||
| 568 | L | 26.7 | Very low | 28.6 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | -167.7 | 163.9 | 122.2 | -113 | 173.3 | 0 | 0 | 0 | 113.8 | |||||
| 569 | H | 26.1 | Very low | 28.2 | Very low | 171 Ų | 171 | 154.2 Ų | 154.2 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | 76.1 | 153.4 | 168.1 | -92.3 | 87.9 | 0 | 0 | 0 | 120.9 | ||||
| 570 | T | 27.3 | Very low | 28 | Very low | 109 Ų | 109 | 155.1 Ų | 155.1 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -91.2 | 134.3 | -168.9 | 45.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 571 | N | 25 | Very low | 28.1 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | 179 | 131.6 | 110.4 | -89.2 | -31.6 | 0 | 0 | 0 | 111.8 | |||||
| 572 | N | 25.4 | Very low | 27.9 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 63.6 | 142.6 | 169 | -61.6 | -32.9 | 0 | 0 | 0 | 118.5 | ||
| 573 | I | 32.4 | Very low | 27.8 | Very low | 162 Ų | 162 | 155 Ų | 155 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 75.2 | 113.5 | 165.8 | -60.5 | 170.7 | 0 | 0 | 0 | 117.4 | ||
| 574 | L | 36.5 | Very low | 27.7 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 66.3 | 96.7 | 155.4 | -112.1 | 64.4 | 0 | 0 | 0 | 122.2 | ||
| 575 | M | 31.5 | Very low | 27.8 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | 66.2 | 132.6 | 147.6 | -61.4 | -55.6 | -158.2 | 0 | 0 | 119.9 | ||||
| 576 | N | 26.2 | Very low | 27.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -155.8 | 156.1 | -165.2 | -151.1 | -1 | 0 | 0 | 0 | 109.9 | ||||
| 577 | G | 31.1 | Very low | 28 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 177.6 | 120 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 578 | Q | 30 | Very low | 28 | Very low | 203 Ų | 203 | 141 Ų | 141 | 95% | 0.949 | 78% | 0.783 | S | S | * | * | trans | -96.2 | -176.9 | 178.2 | -68.1 | 172.6 | -92.2 | 0 | 0 | 112.8 | ||||
| 579 | S | 27 | Very low | 28.1 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -116.8 | 159.5 | 178.5 | 60 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 580 | L | 25.4 | Very low | 28.2 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 73.6 | 102.2 | 154.8 | -67.4 | 163.2 | 0 | 0 | 0 | 121.7 | ||||
| 581 | N | 26.5 | Very low | 28.3 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | 82.3 | 136.9 | 120.4 | -77.9 | -1.2 | 0 | 0 | 0 | 124.9 | |||||
| 582 | L | 24.6 | Very low | 28.3 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 83.6 | 144.4 | 155 | -101.4 | 74.8 | 0 | 0 | 0 | 120.8 | ||||
| 583 | M | 24.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -21.9 | 145.2 | 167.4 | -83 | 69.8 | 169.8 | 0 | 0 | 116.4 | ||||
| 584 | D | 26.1 | Very low | 28.4 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | cis | -139.4 | 144.2 | 30.4 | -95.6 | -43.2 | 0 | 0 | 0 | 111.4 | ||||
| 585 | S | 27.3 | Very low | 28.1 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | 97.1 | 154.2 | 55.4 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 586 | C | 28.3 | Very low | 28 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 74.2 | 114.5 | -168.1 | -48.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 587 | N | 29.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | S | Bend | cis | -152 | 148.9 | -3.8 | -88.1 | -34.6 | 0 | 0 | 0 | 108.9 | ||
| 588 | S | 30.2 | Very low | 28.7 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | cis | -176.1 | 125.9 | -15.9 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 589 | G | 30 | Very low | 28.5 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | 136.6 | 105.2 | 163 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 590 | S | 28.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 13.2 | 153.9 | 143.7 | 55.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 591 | Q | 28.4 | Very low | 29.1 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | 178.6 | 169.5 | -12.1 | -99.8 | -171.2 | -75 | 0 | 0 | 106.7 | ||||
| 592 | E | 26.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 131 Ų | 131 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | cis | -175 | 169.5 | -31.1 | -160 | -172 | -43.8 | 0 | 0 | 110.2 | ||||
| 593 | V | 30 | Very low | 30 | Very low | 110 Ų | 110 | 129 Ų | 129 | 67% | 0.667 | 73% | 0.73 | S | S | * | * | trans | 81 | 136 | 159.4 | -168.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 594 | T | 29.1 | Very low | 30.4 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | 79.9 | 116.1 | 158.6 | 33.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 595 | N | 30.4 | Very low | 30.6 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | 51.3 | 125.7 | 128.6 | -72.5 | -8.5 | 0 | 0 | 0 | 125.6 | |||||
| 596 | L | 30.1 | Very low | 30.8 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | 73 | 160.7 | 142.5 | -86 | 164.5 | 0 | 0 | 0 | 117.5 | ||||
| 597 | P | 41.3 | Very low | 31 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | -119.1 | 169.4 | -107.1 | 43.2 | -35.6 | 0 | 0 | 0 | 117.2 | |||||
| 598 | L | 29.6 | Very low | 31.1 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 94% | 0.937 | 71% | 0.707 | S | S | * | * | trans | 5.6 | 133.5 | 154.4 | -59.8 | 172.7 | 0 | 0 | 0 | 119.2 | ||||
| 599 | N | 26.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | trans | -146.3 | 165.2 | 179.6 | -170.4 | 12.9 | 0 | 0 | 0 | 111.4 | ||||
| 600 | M | 27.9 | Very low | 31.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 64% | 0.635 | 70% | 0.7 | S | S | * | * | trans | 68.9 | 160.8 | 162.9 | -81.7 | 149.3 | 55.1 | 0 | 0 | 116.9 | ||||
| 601 | Q | 36.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 59% | 0.593 | 70% | 0.696 | S | S | * | * | cis | -144.9 | 166.5 | 15.5 | -125.3 | 134.7 | -30.8 | 0 | 0 | 109.1 | I603 | Q601-I603 HydrophobicContact CG-CD1 3.68Å; Q601-I603 HydrophobicContact CG-CG1 3.98Å | ||
| 602 | N | 36.5 | Very low | 31.1 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | cis | -146.1 | 145.8 | 35.6 | -86 | -57.3 | 0 | 0 | 0 | 110.5 | ||||
| 603 | I | 33.8 | Very low | 31 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 57% | 0.574 | 69% | 0.694 | S | S | * | * | 76.4 | 126.5 | 56.8 | -71.9 | -171.2 | 0 | 0 | 0 | 111.7 | Q601 | Q601-I603 HydrophobicContact CG-CD1 3.68Å; Q601-I603 HydrophobicContact CG-CG1 3.98Å | |||
| 604 | T | 31.6 | Very low | 30.8 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 70% | 0.696 | S | S | * | * | cis | -155.9 | 172.2 | -2.5 | 17.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 605 | Q | 31.7 | Very low | 30.9 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | cis | -139.7 | -175.4 | 6.1 | -125.8 | 167.6 | -80.6 | 0 | 0 | 106.8 | ||||
| 606 | D | 30.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | cis | -148.1 | -175.1 | 10.1 | -136.1 | -5.5 | 0 | 0 | 0 | 106.8 | ||||
| 607 | K | 32.7 | Very low | 30.7 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | cis | -146.7 | -168.6 | 10.6 | -137.5 | -137.5 | 177.5 | -170.8 | 0 | 113 | ||||
| 608 | E | 30.9 | Very low | 30.1 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 53% | 0.528 | 70% | 0.701 | S | S | . | * | trans | -44.5 | 148.9 | 168.8 | -62 | -177.4 | 113.1 | 0 | 0 | 115.1 | ||||
| 609 | K | 31.3 | Very low | 30 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | cis | -166.5 | 153.9 | -5.7 | -116.5 | 165.4 | -179.1 | 164.2 | 0 | 112.8 | ||||
| 610 | F | 29.5 | Very low | 30.2 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | trans | 65.5 | 108.7 | 147.4 | -68.1 | -48.9 | 0 | 0 | 0 | 124.7 | ||||
| 611 | L | 29.5 | Very low | 30.2 | Very low | 133 Ų | 133 | 136 Ų | 136 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | 73.3 | 113 | 118.9 | -73.2 | 169.5 | 0 | 0 | 0 | 124.6 | |||||
| 612 | N | 26.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | 65.4 | 125 | 117.8 | -76.2 | 15.4 | 0 | 0 | 0 | 125.3 | |||||
| 613 | L | 25 | Very low | 29.5 | Very low | 148 Ų | 148 | 134 Ų | 134 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | 63.4 | 114.3 | 128.5 | -63.7 | 169 | 0 | 0 | 0 | 120.5 | |||||
| 614 | S | 25.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | 156.8 | 141 | 104.3 | -65.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 615 | N | 31 | Very low | 29.8 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 87% | 0.872 | 67% | 0.673 | S | S | * | * | trans | 66.1 | 151.8 | 148.4 | -67.4 | -2 | 0 | 0 | 0 | 123.1 | ||||
| 616 | E | 28.3 | Very low | 29.8 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | trans | -87 | 151.1 | 177 | -52.6 | 165.3 | 127.2 | 0 | 0 | 111.2 | ||||
| 617 | N | 28.7 | Very low | 30 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | 170.1 | 147.2 | 117.9 | -91.5 | -67.2 | 0 | 0 | 0 | 113.4 | |||||
| 618 | N | 27.9 | Very low | 30.1 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | trans | 51.1 | 114.6 | 148.3 | -60.6 | -3.2 | 0 | 0 | 0 | 122.9 | ||||
| 619 | E | 27.5 | Very low | 30.5 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | 86.2 | 137.8 | 124.7 | -73.9 | -171.3 | -139.6 | 0 | 0 | 123.6 | |||||
| 620 | N | 31.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 65% | 0.647 | 68% | 0.684 | S | S | * | * | trans | 75.9 | 67 | 149.2 | -56.2 | -28 | 0 | 0 | 0 | 122.2 | ||||
| 621 | I | 28.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | 69.3 | 131.5 | 109.2 | -70.5 | 169.4 | 0 | 0 | 0 | 121.6 | |||||
| 622 | F | 30.9 | Very low | 30.2 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | trans | 64.8 | 149.6 | 172.4 | -66.8 | -67.9 | 0 | 0 | 0 | 118.5 | S634 | F622-S634 WeakPolarHBondContact CD1-OG 3.32Š| ||
| 623 | N | 28.1 | Very low | 30.2 | Very low | 60 Ų | 60 | 124.4 Ų | 124.4 | 32% | 0.321 | 66% | 0.658 | S | S | . | * | cis | 178.5 | 121.4 | -42.4 | -119.9 | -72.5 | 0 | 0 | 0 | 109.7 | N632 S633 S634 | N623-N632 WeakPolarHBondContact OD1-CA 3.47Å; N623-N632 WeakPolarHBondContact OD1-CB 3.23Å; N623-N632 VanDerWaalsContact OD1-CG 3.23Å; N623-N632 PolarHBondContact OD1-OD1 3.47Å; N623-S633 CarbonylContact O-C 3.53Å; N623-S633 PolarHBondContact OD1-N 2.85Å; N623-S634 WeakPolarHBondContact CB-OG 3.37Å | ||
| 624 | L | 32.6 | Very low | 30.3 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | trans | -157.6 | 155 | 156.6 | -165.1 | 58.1 | 0 | 0 | 0 | 114 | N632 S633 | L624-N632 WeakPolarHBondContact O-CB 3.41Å; L624-N632 PolarHBondContact O-ND2 2.8Å; L624-S633 WeakPolarHBondContact CA-O 3.2Å; L624-S633 WeakPolarHBondContact CD1-O 3.5Å | ||
| 625 | T | 39.9 | Very low | 30.5 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | trans | 93.8 | 103.3 | 169.5 | 79 | 0 | 0 | 0 | 0 | 119 | P631 N632 | T625-P631 CarbonylContact O-C 3.4Å; T625-P631 WeakPolarHBondContact O-CA 3.28Å; T625-N632 PolarHBondContact O-N 3.2Å | ||
| 626 | Q | 30.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | trans | -90.1 | 114 | 130.3 | -74 | -171.7 | 0.3 | 0 | 0 | 108.2 | K629 P631 | Q626-K629 VanDerWaalsContact CB-O 3.31Å; Q626-K629 WeakPolarHBondContact CB-O 3.41Å; Q626-K629 WeakPolarHBondContact CG-O 3.44Å; Q626-P631 HydrophobicContact CG-CB 4.23Å | ||
| 627 | L | 34.4 | Very low | 30.2 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 65% | 0.654 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -158.8 | 7.9 | 154 | -114.6 | 148.8 | 0 | 0 | 0 | 117.3 | K629 | L627-K629 HydrophobicContact CD2-CD 4.18Å; L627-K629 HydrophobicContact CG-CD 4.47Å |
| 628 | N | 35 | Very low | 30 | Very low | 162 Ų | 162 | 115.7 Ų | 115.7 | 87% | 0.866 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -125.8 | 60.4 | 149.2 | -131.7 | -3.4 | 0 | 0 | 0 | 114.3 | ||
| 629 | K | 40.2 | Very low | 29.9 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | S | Bend | cis | -105 | 35.3 | -45.9 | -58.1 | -138.5 | 179.6 | -172.3 | 0 | 110.4 | Q626 L627 | Q626-K629 VanDerWaalsContact CB-O 3.31Å; Q626-K629 WeakPolarHBondContact CB-O 3.41Å; Q626-K629 WeakPolarHBondContact CG-O 3.44Å; L627-K629 HydrophobicContact CD2-CD 4.18Å; L627-K629 HydrophobicContact CG-CD 4.47Å |
| 630 | T | 23.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 112.1 Ų | 112.1 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | trans | -113.7 | 166.7 | 175.2 | 63.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 631 | P | 31.6 | Very low | 30 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | -137.3 | 144.6 | -76.6 | 35.3 | -18.1 | 0 | 0 | 0 | 114.3 | T625 Q626 | T625-P631 CarbonylContact O-C 3.4Å; T625-P631 WeakPolarHBondContact O-CA 3.28Å; Q626-P631 HydrophobicContact CG-CB 4.23Å | |||
| 632 | N | 27.7 | Very low | 30.2 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 49% | 0.487 | 64% | 0.635 | S | S | . | * | trans | -167.6 | 157.8 | 172 | -90.9 | -25.8 | 0 | 0 | 0 | 110 | N623 L624 T625 | N623-N632 WeakPolarHBondContact OD1-CA 3.47Å; N623-N632 WeakPolarHBondContact OD1-CB 3.23Å; N623-N632 VanDerWaalsContact OD1-CG 3.23Å; N623-N632 PolarHBondContact OD1-OD1 3.47Å; L624-N632 WeakPolarHBondContact O-CB 3.41Å; L624-N632 PolarHBondContact O-ND2 2.8Å; T625-N632 PolarHBondContact O-N 3.2Å | ||
| 633 | S | 27 | Very low | 30.2 | Very low | 72 Ų | 72 | 111.5 Ų | 111.5 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | trans | -85.2 | -142.6 | -175.5 | -52.1 | 0 | 0 | 0 | 0 | 112.8 | N623 L624 | N623-S633 CarbonylContact O-C 3.53Å; N623-S633 PolarHBondContact OD1-N 2.85Å; L624-S633 WeakPolarHBondContact CA-O 3.2Å; L624-S633 WeakPolarHBondContact CD1-O 3.5Å | ||
| 634 | S | 27.7 | Very low | 30.7 | Very low | 43 Ų | 43 | 115.5 Ų | 115.5 | 30% | 0.301 | 65% | 0.653 | S | S | . | * | cis | -161.5 | 140.7 | -10.8 | 33.9 | 0 | 0 | 0 | 0 | 111.6 | F622 N623 | F622-S634 WeakPolarHBondContact CD1-OG 3.32Å; N623-S634 WeakPolarHBondContact CB-OG 3.37Å | ||
| 635 | T | 28.5 | Very low | 30.5 | Very low | 119 Ų | 119 | 113.8 Ų | 113.8 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | trans | 52.9 | 137.1 | 149.1 | 48.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 636 | I | 27.2 | Very low | 29.9 | Very low | 144 Ų | 144 | 116.7 Ų | 116.7 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | trans | 74.2 | 111.5 | 145.1 | -71.2 | 164.7 | 0 | 0 | 0 | 115.6 | ||||
| 637 | L | 25.1 | Very low | 29.9 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | 63.7 | 128.4 | 75.2 | -78.7 | 167.6 | 0 | 0 | 0 | 112.4 | |||||
| 638 | S | 25.1 | Very low | 29.9 | Very low | 85 Ų | 85 | 117.1 Ų | 117.1 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | cis | -154.7 | 165.7 | 18.4 | -65.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 639 | T | 25.6 | Very low | 29.5 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 90% | 0.896 | 68% | 0.678 | S | S | * | * | trans | 58.8 | 137.6 | 149.3 | 47.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 640 | G | 28.4 | Very low | 29.5 | Very low | 61 Ų | 61 | 115.8 Ų | 115.8 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | cis | 161.3 | -150 | 2.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 641 | I | 33.3 | Very low | 29.7 | Very low | 158 Ų | 158 | 118.2 Ų | 118.2 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | 71.8 | 122.2 | 166.4 | -60.7 | 172.7 | 0 | 0 | 0 | 112.4 | ||||
| 642 | N | 31.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | cis | -164.4 | 174.1 | 12.7 | -110 | 3.6 | 0 | 0 | 0 | 109.4 | ||||
| 643 | N | 31 | Very low | 29.6 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 65% | 0.647 | 70% | 0.704 | S | S | * | * | cis | -172 | -172.9 | -35.4 | -119.3 | 7.2 | 0 | 0 | 0 | 110.2 | ||||
| 644 | N | 38.7 | Very low | 29.7 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 94.8 | 102.2 | 169.8 | -51.2 | -10.8 | 0 | 0 | 0 | 114 | ||||
| 645 | S | 28.2 | Very low | 30.3 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | 73.3 | 145.6 | 15.7 | 110.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 646 | I | 27.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | cis | -160.9 | 157.4 | -5.9 | -120.9 | 163.4 | 0 | 0 | 0 | 109.5 | ||||
| 647 | N | 30.5 | Very low | 30.4 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | 167.9 | 142.3 | 149.2 | -88.2 | -25.2 | 0 | 0 | 0 | 110.1 | ||||
| 648 | S | 34.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | cis | -158.2 | 156.9 | -10.2 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 649 | L | 27.3 | Very low | 30.6 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | trans | -54 | 173.5 | -178.1 | -80 | 151 | 0 | 0 | 0 | 117.2 | ||||
| 650 | P | 39 | Very low | 30.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | cis | -150.3 | 168.9 | 28.7 | 46.4 | -26.9 | 0 | 0 | 0 | 121.7 | ||||
| 651 | M | 29.4 | Very low | 30.7 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 67.1 | 150 | 157.1 | -52.1 | -134.8 | 117 | 0 | 0 | 118.7 | ||||
| 652 | L | 28.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 64% | 0.644 | 75% | 0.753 | S | S | * | * | cis | -159.5 | 146.4 | -12.5 | -114.3 | 171.3 | 0 | 0 | 0 | 109.6 | ||||
| 653 | N | 28.6 | Very low | 29.8 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 40 | 113.5 | 162.3 | -60.9 | -4.2 | 0 | 0 | 0 | 120.1 | ||||
| 654 | C | 29 | Very low | 29.6 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 77 | 132.9 | 68.8 | -73.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 655 | P | 38.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -114.5 | -145.8 | -13.3 | 40.7 | -23.4 | 0 | 0 | 0 | 110.1 | ||||
| 656 | S | 29.8 | Very low | 28.7 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | cis | -159.4 | -155.1 | 0.7 | -121.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 657 | D | 28.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -158.7 | 155.1 | -96.5 | -74.1 | -52.2 | 0 | 0 | 0 | 109.9 | |||||
| 658 | M | 27.6 | Very low | 28.4 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | cis | -158.8 | 111.5 | -27 | -177.8 | -175.2 | 178.7 | 0 | 0 | 110.7 | ||||
| 659 | M | 27.6 | Very low | 27.9 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 64.3 | 153 | 160.4 | -70.9 | -173.3 | 157 | 0 | 0 | 121.8 | ||||
| 660 | M | 28.1 | Very low | 27.9 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -86.3 | 155.2 | 173.8 | -67.8 | -170.2 | -177.4 | 0 | 0 | 113 | ||||
| 661 | S | 27.2 | Very low | 27.9 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 154.4 | 107.7 | 96.2 | -177.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 662 | A | 23.7 | Very low | 27.8 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | 170 | 150.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 663 | L | 22 | Very low | 27.8 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | 64.7 | 158.5 | 174.3 | -69.9 | 122.7 | 0 | 0 | 0 | 117.2 | ||||
| 664 | G | 27.7 | Very low | 27.7 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 97.2 | 90.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 665 | S | 23.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | 77.2 | 111.7 | 57.1 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 666 | F | 23.4 | Very low | 27 | Very low | 201 Ų | 201 | 135 Ų | 135 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | trans | 46.1 | 101.5 | 148.2 | -79.4 | -99.4 | 0 | 0 | 0 | 118.9 | ||||
| 667 | V | 27.5 | Very low | 26.7 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | trans | -117.3 | 150 | 151.8 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 668 | H | 24.9 | Very low | 26.9 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -116.4 | 145.1 | -166.1 | -153.7 | -97.2 | 0 | 0 | 0 | 111.5 | ||||
| 669 | L | 23.7 | Very low | 27 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 70 | 133.7 | 161.1 | -126.1 | 67.7 | 0 | 0 | 0 | 121 | ||||
| 670 | M | 26.7 | Very low | 27 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | trans | -87.7 | -174.9 | 161.1 | -85.6 | -165 | 80.3 | 0 | 0 | 109.2 | ||||
| 671 | P | 39.2 | Very low | 27.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 62% | 0.623 | 74% | 0.744 | S | S | * | * | cis | -150.4 | 179 | 23.7 | 44.7 | -23.3 | 0 | 0 | 0 | 120.8 | ||||
| 672 | S | 28.4 | Very low | 27.2 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 65.2 | 160.4 | 155.6 | 66.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 673 | V | 26.8 | Very low | 27.5 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | cis | -140.6 | 149.4 | 22.4 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 674 | N | 28 | Very low | 27.9 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | 63.6 | 117.5 | 158.9 | -75 | -3.4 | 0 | 0 | 0 | 123.6 | ||||
| 675 | N | 26.9 | Very low | 28 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | 83.2 | 100.9 | 118.9 | -69.1 | -6.2 | 0 | 0 | 0 | 123.4 | |||||
| 676 | L | 25.1 | Very low | 28.2 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | 81.2 | 139.2 | 95.2 | -167.3 | 67.9 | 0 | 0 | 0 | 119.6 | |||||
| 677 | L | 24.6 | Very low | 28.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | trans | 66.1 | 126.8 | 162 | -87.5 | 161.3 | 0 | 0 | 0 | 118.2 | ||||
| 678 | T | 31.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | -169.1 | 147.7 | 118 | 34.8 | 0 | 0 | 0 | 0 | 108 | |||||
| 679 | E | 30.7 | Very low | 28.7 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 67% | 0.673 | 71% | 0.711 | S | S | * | * | cis | -162.6 | 136.9 | -23.9 | -119.8 | 169 | -175.8 | 0 | 0 | 106 | ||||
| 680 | T | 27.7 | Very low | 28.8 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | 55.7 | -164.5 | 107.3 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 681 | T | 29.2 | Very low | 29 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | cis | -92.5 | -138.1 | 5.2 | 55.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 682 | T | 29.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -158.6 | -160.6 | -156.5 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 683 | N | 30.8 | Very low | 28.3 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | trans | 112.2 | 144.2 | 151.6 | -52.9 | -29 | 0 | 0 | 0 | 116.8 | ||||
| 684 | N | 30.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 129 Ų | 129 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | cis | -172.1 | 153 | -29 | -103.1 | -16.1 | 0 | 0 | 0 | 107.4 | ||||
| 685 | F | 28.6 | Very low | 28.5 | Very low | 213 Ų | 213 | 128.5 Ų | 128.5 | 93% | 0.934 | 73% | 0.729 | S | S | * | * | trans | -159.1 | 155.1 | 136.5 | -106.7 | -66.7 | 0 | 0 | 0 | 110.6 | ||||
| 686 | T | 29.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | trans | -135.4 | 157 | -155.2 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 687 | N | 27.9 | Very low | 28.8 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 81.4 | 109.8 | 151.5 | -65.7 | -6.9 | 0 | 0 | 0 | 120.5 | ||||
| 688 | S | 28.9 | Very low | 29 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | 88.8 | 120.2 | 111.9 | 75.6 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 689 | S | 28.2 | Very low | 29 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | 107.9 | 124.2 | 123.6 | -146.1 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 690 | M | 26 | Very low | 28.8 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | 50.7 | 119.6 | 145.9 | -67.5 | 172.6 | 69.4 | 0 | 0 | 121 | ||||
| 691 | N | 30.8 | Very low | 28.7 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 94% | 0.936 | 73% | 0.732 | S | S | * | * | -143.6 | 149.8 | 128.7 | -111.1 | -35.5 | 0 | 0 | 0 | 109.2 | |||||
| 692 | N | 27.2 | Very low | 28.9 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -153.3 | 136.9 | -166.8 | -162.1 | 12.6 | 0 | 0 | 0 | 112.9 | ||||
| 693 | G | 27.3 | Very low | 28.8 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | trans | 76.5 | 170.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 694 | T | 28.4 | Very low | 28.8 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | cis | -160.5 | 168.7 | 1.9 | -32.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 695 | T | 29.6 | Very low | 28.6 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | 80.8 | 142.6 | 162.1 | 78.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 696 | M | 28.1 | Very low | 28.7 | Very low | 150 Ų | 150 | 133 Ų | 133 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | cis | -157.5 | 163.5 | -17 | -130.9 | 64.3 | -177.6 | 0 | 0 | 106.2 | ||||
| 697 | N | 31.3 | Very low | 28.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | cis | -168.9 | 139.7 | 34.3 | -121.7 | -34 | 0 | 0 | 0 | 110.1 | ||||
| 698 | R | 28.1 | Very low | 28.6 | Very low | 214 Ų | 214 | 136.9 Ų | 136.9 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | 54.4 | 154.4 | 130.4 | -73.3 | -176 | 149.7 | 170.4 | -4.5 | 121.2 | ||||
| 699 | I | 30.3 | Very low | 28.6 | Very low | 117 Ų | 117 | 137 Ų | 137 | 60% | 0.6 | 73% | 0.727 | S | S | * | * | cis | -158.3 | 119.5 | 7.4 | -116.1 | 161.5 | 0 | 0 | 0 | 105.1 | ||||
| 700 | D | 28 | Very low | 28.6 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | 108.8 | 133.8 | 96.4 | -72.6 | 3.2 | 0 | 0 | 0 | 112.9 | |||||
| 701 | E | 25.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 47.9 | 150.5 | 136.3 | -49.1 | -174.1 | 156.2 | 0 | 0 | 121.2 | ||||
| 702 | I | 31.9 | Very low | 28.4 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | cis | -161.1 | 139.1 | 47.1 | -79.7 | 178 | 0 | 0 | 0 | 110.3 | ||||
| 703 | N | 29 | Very low | 28.5 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 44.5 | 152.3 | 152.7 | -63.6 | -23.2 | 0 | 0 | 0 | 122.1 | ||||
| 704 | Q | 29.4 | Very low | 28.4 | Very low | 156 Ų | 156 | 145 Ų | 145 | 73% | 0.729 | 74% | 0.739 | S | S | * | * | cis | -159.6 | 167.1 | -3.5 | -119.9 | 163 | 26.1 | 0 | 0 | 111.8 | ||||
| 705 | S | 26.7 | Very low | 28.2 | Very low | 89 Ų | 89 | 143 Ų | 143 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | trans | -14.1 | 151.2 | 153.3 | 50.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 706 | N | 29.9 | Very low | 28.1 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | cis | -166.5 | 145 | 25.5 | -126.9 | -0.4 | 0 | 0 | 0 | 115.5 | ||||
| 707 | H | 27.2 | Very low | 27.9 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 64.2 | 150.6 | 138.9 | -102.1 | -99.5 | 0 | 0 | 0 | 125.5 | ||||
| 708 | F | 28 | Very low | 27.7 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | 77.4 | 108 | 165.5 | -77.1 | -76.6 | 0 | 0 | 0 | 121.9 | ||||
| 709 | T | 29.8 | Very low | 27.5 | Very low | 110 Ų | 110 | 146 Ų | 146 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | 45.4 | 127.7 | 140.1 | 53.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 710 | N | 28.4 | Very low | 27.5 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | cis | -146.5 | 131.2 | 6.5 | -91.7 | -30.3 | 0 | 0 | 0 | 110.8 | ||||
| 711 | Q | 24.5 | Very low | 27.5 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | -143.5 | 110.9 | 162.5 | -76.1 | -162.9 | -0.5 | 0 | 0 | 112 | ||||
| 712 | L | 27.9 | Very low | 27.9 | Very low | 171 Ų | 171 | 146 Ų | 146 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -154.6 | 137 | 167.5 | -131.4 | 81.4 | 0 | 0 | 0 | 105.3 | ||||
| 713 | S | 29.6 | Very low | 27.6 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 57% | 0.573 | 79% | 0.788 | S | S | * | * | cis | -163.1 | 147.1 | -14.9 | 32.2 | 0 | 0 | 0 | 0 | 108.7 | S715 | S713-S715 PolarHBondContact O-N 3.35Å; S713-S715 PolarHBondContact OG-OG 2.84Å | ||
| 714 | K | 24.5 | Very low | 27.8 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 98% | 0.983 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -73.8 | 71.8 | 169.4 | -86.7 | -172 | 172 | 179.5 | 0 | 111.3 | ||
| 715 | S | 24 | Very low | 28 | Very low | 83 Ų | 83 | 150.6 Ų | 150.6 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | trans | -164.7 | 71.3 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | S713 | S713-S715 PolarHBondContact O-N 3.35Å; S713-S715 PolarHBondContact OG-OG 2.84Å | ||
| 716 | M | 27.5 | Very low | 28.4 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | trans | -164.3 | 73 | 150.7 | -111.6 | 174.6 | -165.9 | 0 | 0 | 112 | ||||
| 717 | L | 25.1 | Very low | 28.6 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -76.9 | 164.1 | 144.6 | -86.5 | 162.8 | 0 | 0 | 0 | 108.4 | ||||
| 718 | Q | 26 | Very low | 29.1 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | 82.1 | 55.7 | 160 | -155.7 | 168.7 | 52.4 | 0 | 0 | 118.6 | ||||
| 719 | S | 23.9 | Very low | 29.6 | Very low | 106 Ų | 106 | 149.8 Ų | 149.8 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -154.1 | 109.8 | 146.5 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 720 | I | 29.8 | Very low | 30.2 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | trans | -178.1 | 146.4 | 141.5 | -95.6 | 156.4 | 0 | 0 | 0 | 108 | ||||
| 721 | S | 29.4 | Very low | 30.7 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -94 | 159.2 | -165.3 | -64.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 722 | P | 32.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 81% | 0.805 | 75% | 0.747 | S | S | * | * | trans | -92 | 121.2 | -173.5 | 34.1 | -33.4 | 0 | 0 | 0 | 114.3 | ||||
| 723 | Q | 26.6 | Very low | 32.1 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -141.8 | 78.2 | 161.8 | -74.3 | -164 | -4.4 | 0 | 0 | 111.8 | ||||
| 724 | H | 32.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 73% | 0.731 | 74% | 0.743 | S | S | * | * | trans | -152.4 | 19.4 | 172.9 | -129.7 | -77.1 | 0 | 0 | 0 | 116.5 | ||||
| 725 | H | 33.5 | Very low | 33 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -110.5 | -5.6 | -171.7 | -104.1 | 30.2 | 0 | 0 | 0 | 117 | ||
| 726 | H | 35.2 | Very low | 33.7 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -91.9 | -29.5 | -179.2 | -102.1 | -22.5 | 0 | 0 | 0 | 115.8 | ||
| 727 | Q | 34.8 | Very low | 34.4 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -68.4 | -40.7 | 178.2 | -77.8 | 179 | -37.6 | 0 | 0 | 112.6 | Q729 Q730 Q731 | Q727-Q729 PolarHBondContact O-N 2.85Å; Q727-Q730 PolarHBondContact O-N 3.01Å; Q727-Q731 PolarHBondContact O-N 3.22Å |
| 728 | H | 38.5 | Very low | 34.9 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 60% | 0.602 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.6 | -24.8 | -177.8 | -154.8 | -43.6 | 0 | 0 | 0 | 113 | L732 | H728-L732 PolarHBondContact O-N 3.02Å |
| 729 | Q | 38.1 | Very low | 35.3 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 59% | 0.589 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -83.8 | -31.6 | -179 | -151.4 | 172.9 | 22.9 | 0 | 0 | 112.7 | Q727 L733 | Q727-Q729 PolarHBondContact O-N 2.85Å; Q729-L733 PolarHBondContact O-N 3.33Å; Q729-L733 VanDerWaalsContact O-N 3.07Å |
| 730 | Q | 41.8 | Very low | 36 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 60% | 0.603 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.5 | -41.2 | 174.3 | -76.1 | -171.9 | -12.9 | 0 | 0 | 112.4 | Q727 L732 L733 M734 | Q727-Q730 PolarHBondContact O-N 3.01Å; Q730-L732 VanDerWaalsContact C-N 3.34Å; Q730-L732 PolarHBondContact O-N 3.41Å; Q730-L733 PolarHBondContact O-N 3.5Å; Q730-M734 PolarHBondContact O-N 2.89Å |
| 731 | Q | 39.6 | Very low | 36.4 | Very low | 137 Ų | 137 | 120.8 Ų | 120.8 | 64% | 0.64 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.2 | -43.2 | 176 | -68.6 | -179.3 | -5.6 | 0 | 0 | 111.4 | Q727 L733 M734 A735 | Q727-Q731 PolarHBondContact O-N 3.22Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 3.02Å; Q731-M734 PolarHBondContact O-N 3.29Å; Q731-A735 WeakPolarHBondContact O-CB 3.21Å; Q731-A735 PolarHBondContact O-N 3.3Å |
| 732 | L | 40.1 | Very low | 36.6 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -34.1 | 176 | -169.6 | 64 | 0 | 0 | 0 | 112.4 | H728 Q730 N736 | H728-L732 PolarHBondContact O-N 3.02Å; Q730-L732 VanDerWaalsContact C-N 3.34Å; Q730-L732 PolarHBondContact O-N 3.41Å; L732-N736 WeakPolarHBondContact O-CB 3.47Å; L732-N736 PolarHBondContact O-N 2.87Å; L732-N736 VanDerWaalsContact O-N 3.12Å; L732-N736 PolarHBondContact O-ND2 2.78Å |
| 733 | L | 41.9 | Very low | 36.6 | Very low | 130 Ų | 130 | 120.7 Ų | 120.7 | 68% | 0.681 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.5 | -40.5 | 175.7 | -151.3 | 77.2 | 0 | 0 | 0 | 112 | Q729 Q730 Q731 N736 A737 | Q729-L733 PolarHBondContact O-N 3.33Å; Q729-L733 VanDerWaalsContact O-N 3.07Å; Q730-L733 PolarHBondContact O-N 3.5Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 3.02Å; L733-N736 PolarHBondContact O-N 3.19Å; L733-A737 WeakPolarHBondContact O-CB 3.5Å; L733-A737 PolarHBondContact O-N 3.34Å |
| 734 | M | 34.3 | Very low | 36.7 | Very low | 140 Ų | 140 | 117 Ų | 117 | 69% | 0.69 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.6 | -42.6 | 175.4 | -72.9 | -174.6 | 172.4 | 0 | 0 | 112.3 | Q730 Q731 N736 A737 W738 | Q730-M734 PolarHBondContact O-N 2.89Å; Q731-M734 PolarHBondContact O-N 3.29Å; M734-N736 PolarHBondContact O-N 3.18Å; M734-A737 PolarHBondContact O-N 3.37Å; M734-W738 PolarHBondContact O-N 3.25Å |
| 735 | A | 37 | Very low | 36.5 | Very low | 54 Ų | 54 | 113.1 Ų | 113.1 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.4 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q731 W738 L739 | Q731-A735 WeakPolarHBondContact O-CB 3.21Å; Q731-A735 PolarHBondContact O-N 3.3Å; A735-W738 PolarHBondContact O-N 3.22Å; A735-L739 PolarHBondContact O-N 2.84Å |
| 736 | N | 39.9 | Very low | 36.1 | Very low | 83 Ų | 83 | 113.8 Ų | 113.8 | 44% | 0.444 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.5 | -41.1 | 176.3 | -75.8 | -48.2 | 0 | 0 | 0 | 112.6 | L732 L733 M734 W738 L739 T740 | L732-N736 WeakPolarHBondContact O-CB 3.47Å; L732-N736 PolarHBondContact O-N 2.87Å; L732-N736 VanDerWaalsContact O-N 3.12Å; L732-N736 PolarHBondContact O-ND2 2.78Å; L733-N736 PolarHBondContact O-N 3.19Å; M734-N736 PolarHBondContact O-N 3.18Å; N736-W738 VanDerWaalsContact C-N 3.31Å; N736-W738 PolarHBondContact O-N 3.13Å; N736-L739 PolarHBondContact O-N 3.03Å; N736-T740 WeakPolarHBondContact O-CG2 3.47Å; N736-T740 PolarHBondContact O-N 2.74Å; N736-T740 PolarHBondContact O-OG1 3.03Å |
| 737 | A | 41.2 | Very low | 35.9 | Very low | 48 Ų | 48 | 116.7 Ų | 116.7 | 40% | 0.397 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.8 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L733 M734 T740 N741 | L733-A737 WeakPolarHBondContact O-CB 3.5Å; L733-A737 PolarHBondContact O-N 3.34Å; M734-A737 PolarHBondContact O-N 3.37Å; A737-T740 WeakPolarHBondContact CA-OG1 3.31Å; A737-T740 PolarHBondContact O-N 3.17Å; A737-T740 PolarHBondContact O-OG1 3.21Å; A737-N741 PolarHBondContact O-N 3.24Å; A737-N741 PolarHBondContact O-ND2 3.39Å |
| 738 | W | 35.8 | Very low | 35.4 | Very low | 127 Ų | 127 | 116 Ų | 116 | 48% | 0.481 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.3 | -46.3 | 173.8 | -170.6 | 73.5 | 0 | 0 | 0 | 111.6 | M734 A735 N736 T740 N741 L742 L763 | M734-W738 PolarHBondContact O-N 3.25Å; A735-W738 PolarHBondContact O-N 3.22Å; N736-W738 VanDerWaalsContact C-N 3.31Å; N736-W738 PolarHBondContact O-N 3.13Å; W738-T740 VanDerWaalsContact C-N 3.32Å; W738-T740 PolarHBondContact O-N 3.21Å; W738-N741 PolarHBondContact O-N 3.11Å; W738-L742 HydrophobicContact CH2-CD1 4.28Å; W738-L742 HydrophobicContact CZ2-CD1 4.23Å; W738-L742 PolarHBondContact O-N 2.96Å; W738-L763 HydrophobicContact CH2-CB 4.15Å; W738-L763 HydrophobicContact CH2-CD1 4.46Å; W738-L763 HydrophobicContact CH2-CD2 4.24Å; W738-L763 HydrophobicContact CZ2-CD1 4.24Å; W738-L763 HydrophobicContact CZ2-CD2 4.13Å |
| 739 | L | 35.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.2 | -40.2 | 177.4 | -141.1 | 75.4 | 0 | 0 | 0 | 112.6 | A735 N736 N741 L742 T743 | A735-L739 PolarHBondContact O-N 2.84Å; N736-L739 PolarHBondContact O-N 3.03Å; L739-N741 VanDerWaalsContact C-N 3.26Å; L739-N741 PolarHBondContact O-N 2.94Å; L739-L742 WeakPolarHBondContact O-CB 3.37Å; L739-L742 PolarHBondContact O-N 2.71Å; L739-T743 PolarHBondContact O-N 2.78Å |
| 740 | T | 38.5 | Very low | 34.4 | Very low | 77 Ų | 77 | 122 Ų | 122 | 47% | 0.472 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.6 | -16.1 | 176.9 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | N736 A737 W738 T743 N744 | N736-T740 WeakPolarHBondContact O-CG2 3.47Å; N736-T740 PolarHBondContact O-N 2.74Å; N736-T740 PolarHBondContact O-OG1 3.03Å; A737-T740 WeakPolarHBondContact CA-OG1 3.31Å; A737-T740 PolarHBondContact O-N 3.17Å; A737-T740 PolarHBondContact O-OG1 3.21Å; W738-T740 VanDerWaalsContact C-N 3.32Å; W738-T740 PolarHBondContact O-N 3.21Å; T740-T743 PolarHBondContact O-OG1 3.24Å; T740-N744 PolarHBondContact O-ND2 3.31Å |
| 741 | N | 36.7 | Very low | 33.7 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 65% | 0.647 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -84.2 | -34.5 | 170.8 | -77.7 | -73.2 | 0 | 0 | 0 | 111.4 | A737 W738 L739 T743 N744 | A737-N741 PolarHBondContact O-N 3.24Å; A737-N741 PolarHBondContact O-ND2 3.39Å; W738-N741 PolarHBondContact O-N 3.11Å; L739-N741 VanDerWaalsContact C-N 3.26Å; L739-N741 PolarHBondContact O-N 2.94Å; N741-T743 PolarHBondContact O-N 3.37Å; N741-N744 PolarHBondContact O-N 3.02Å |
| 742 | L | 33.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 122 Ų | 122 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.6 | -32.9 | 176.9 | -136 | 104.9 | 0 | 0 | 0 | 112.5 | W738 L739 | W738-L742 HydrophobicContact CH2-CD1 4.28Å; W738-L742 HydrophobicContact CZ2-CD1 4.23Å; W738-L742 PolarHBondContact O-N 2.96Å; L739-L742 WeakPolarHBondContact O-CB 3.37Å; L739-L742 PolarHBondContact O-N 2.71Å |
| 743 | T | 32.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 69% | 0.687 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -6.6 | 179.2 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | L739 T740 N741 | L739-T743 PolarHBondContact O-N 2.78Å; T740-T743 PolarHBondContact O-OG1 3.24Å; N741-T743 PolarHBondContact O-N 3.37Å |
| 744 | N | 28.6 | Very low | 32.1 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 14.7 | -171.8 | -89.5 | -57.8 | 0 | 0 | 0 | 115.6 | T740 N741 K746 | T740-N744 PolarHBondContact O-ND2 3.31Å; N741-N744 PolarHBondContact O-N 3.02Å; N744-K746 PolarHBondContact O-N 3.05Å; N744-K746 VanDerWaalsContact O-N 3.1Å |
| 745 | G | 27.7 | Very low | 31.9 | Very low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | 58.7 | 34.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 746 | K | 26.4 | Very low | 31.8 | Very low | 185 Ų | 185 | 126.8 Ų | 126.8 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -135.1 | 78.3 | -178.5 | -75.1 | -175.4 | 179 | 176.4 | 0 | 114.4 | N744 | N744-K746 PolarHBondContact O-N 3.05Å; N744-K746 VanDerWaalsContact O-N 3.1Å | ||
| 747 | F | 30.4 | Very low | 31.4 | Very low | 218 Ų | 218 | 125.6 Ų | 125.6 | 96% | 0.956 | 67% | 0.673 | S | S | * | * | trans | -140.5 | 139.9 | 144.6 | -86.5 | -72 | 0 | 0 | 0 | 109.8 | ||||
| 748 | S | 25.4 | Very low | 30.9 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | trans | -130 | 149.8 | 176.8 | -55 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 749 | N | 26.5 | Very low | 30.8 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | 69.7 | 79.6 | 173.5 | -53.1 | -12.6 | 0 | 0 | 0 | 116.4 | ||||
| 750 | Y | 28.3 | Very low | 30.5 | Very low | 227 Ų | 227 | 126.1 Ų | 126.1 | 89% | 0.89 | 69% | 0.685 | S | S | * | * | trans | -130.3 | 127.7 | 140.1 | -100.5 | -88.7 | 0 | 0 | 0 | 108.6 | ||||
| 751 | P | 26.7 | Very low | 30.2 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 77% | 0.766 | 69% | 0.691 | S | S | * | * | trans | -85 | 117.5 | 178.7 | 31.8 | -31.5 | 0 | 0 | 0 | 111.7 | N753 | P751-N753 PolarHBondContact O-N 3.22Š| ||
| 752 | N | 26.9 | Very low | 30.1 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 6.2 | 98.2 | 162.7 | -56 | -7.3 | 0 | 0 | 0 | 118.3 | ||
| 753 | N | 28.6 | Very low | 29.9 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | 179.5 | 167.6 | 110.9 | -88.8 | -20.2 | 0 | 0 | 0 | 111.6 | P751 | P751-N753 PolarHBondContact O-N 3.22Š| |||
| 754 | L | 31.9 | Very low | 29.7 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | trans | 62.8 | 91 | 177.4 | -64.5 | 167.7 | 0 | 0 | 0 | 116.2 | ||||
| 755 | I | 30.5 | Very low | 29.8 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -118 | 123 | 148.9 | -65.4 | 178.1 | 0 | 0 | 0 | 107 | ||||
| 756 | D | 35.9 | Very low | 29.7 | Very low | 56 Ų | 56 | 132.3 Ų | 132.3 | 30% | 0.299 | 69% | 0.686 | S | S | . | * | trans | -78.7 | 122.4 | 178.9 | 178.8 | -10.7 | 0 | 0 | 0 | 110.5 | C758 V759 M760 K1598 | D756-C758 PolarHBondContact O-N 3.4Å; D756-C758 VanDerWaalsContact O-N 3.13Å; D756-C758 WeakPolarHBondContact OD1-CB 3.31Å; D756-C758 PolarHBondContact OD1-N 3.08Å; D756-V759 HydrophobicContact CB-CG2 4.02Å; D756-V759 PolarHBondContact O-N 2.71Å; D756-M760 PolarHBondContact O-N 2.94Å; D756-K1598 IonicContact OD2-NZ 2.66Å; D756-K1598 PolarHBondContact OD2-NZ 2.62Å | ||
| 757 | P | 30.8 | Very low | 29.8 | Very low | 57 Ų | 57 | 131.1 Ų | 131.1 | 37% | 0.37 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -54.6 | -28.7 | 177.2 | -27.2 | 36 | 0 | 0 | 0 | 114.8 | M760 F761 | P757-M760 PolarHBondContact O-N 2.94Å; P757-F761 PolarHBondContact O-N 2.8Å; P757-F761 VanDerWaalsContact O-N 3.07Å |
| 758 | C | 31.2 | Very low | 29.7 | Very low | 77 Ų | 77 | 125 Ų | 125 | 52% | 0.52 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -68.4 | -34.2 | 178.1 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | D756 M760 F761 N762 | D756-C758 PolarHBondContact O-N 3.4Å; D756-C758 VanDerWaalsContact O-N 3.13Å; D756-C758 WeakPolarHBondContact OD1-CB 3.31Å; D756-C758 PolarHBondContact OD1-N 3.08Å; C758-M760 VanDerWaalsContact C-N 3.28Å; C758-M760 PolarHBondContact O-N 2.81Å; C758-F761 PolarHBondContact O-N 3.34Å; C758-N762 PolarHBondContact O-N 2.9Å |
| 759 | V | 34.5 | Very low | 29.7 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -68.6 | -32 | 175.1 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | D756 | D756-V759 HydrophobicContact CB-CG2 4.02Å; D756-V759 PolarHBondContact O-N 2.71Å |
| 760 | M | 28.3 | Very low | 29.7 | Very low | 124 Ų | 124 | 126 Ų | 126 | 61% | 0.611 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.4 | -30.1 | 175.8 | -162.8 | 171.5 | -173.1 | 0 | 0 | 112.8 | D756 P757 C758 | D756-M760 PolarHBondContact O-N 2.94Å; P757-M760 PolarHBondContact O-N 2.94Å; C758-M760 VanDerWaalsContact C-N 3.28Å; C758-M760 PolarHBondContact O-N 2.81Å |
| 761 | F | 32.7 | Very low | 29.6 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 59% | 0.592 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.4 | -39.8 | 178.7 | -118.7 | -91.9 | 0 | 0 | 0 | 113.2 | P757 C758 L763 L764 N765 | P757-F761 PolarHBondContact O-N 2.8Å; P757-F761 VanDerWaalsContact O-N 3.07Å; C758-F761 PolarHBondContact O-N 3.34Å; F761-L763 PolarHBondContact O-N 2.95Å; F761-L763 VanDerWaalsContact O-N 3.14Å; F761-L764 PolarHBondContact O-N 3.47Å; F761-N765 PolarHBondContact O-N 2.78Å; F761-N765 VanDerWaalsContact O-N 3.1Å |
| 762 | N | 33.3 | Very low | 29.6 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -11.3 | 179.6 | -71.8 | 3.1 | 0 | 0 | 0 | 113.7 | C758 | C758-N762 PolarHBondContact O-N 2.9Š|
| 763 | L | 30.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 52% | 0.524 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -2.2 | 170.5 | -74.7 | 167.6 | 0 | 0 | 0 | 114 | W738 F761 | W738-L763 HydrophobicContact CH2-CB 4.15Å; W738-L763 HydrophobicContact CH2-CD1 4.46Å; W738-L763 HydrophobicContact CH2-CD2 4.24Å; W738-L763 HydrophobicContact CZ2-CD1 4.24Å; W738-L763 HydrophobicContact CZ2-CD2 4.13Å; F761-L763 PolarHBondContact O-N 2.95Å; F761-L763 VanDerWaalsContact O-N 3.14Å |
| 764 | L | 28.4 | Very low | 29.4 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -12.6 | -180 | -76.1 | 169.8 | 0 | 0 | 0 | 113.9 | F761 L766 | F761-L764 PolarHBondContact O-N 3.47Å; L764-L766 VanDerWaalsContact C-N 3.32Å; L764-L766 PolarHBondContact O-N 3.12Å |
| 765 | N | 29.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 58% | 0.578 | 68% | 0.68 | S | S | * | * | trans | -92.9 | 32.3 | -176.6 | -146.6 | 28 | 0 | 0 | 0 | 114.6 | F761 | F761-N765 PolarHBondContact O-N 2.78Å; F761-N765 VanDerWaalsContact O-N 3.1Å | ||
| 766 | L | 27.3 | Very low | 28.9 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -112.7 | 49.8 | 175.3 | -79 | 172.9 | 0 | 0 | 0 | 111.8 | L764 | L764-L766 VanDerWaalsContact C-N 3.32Å; L764-L766 PolarHBondContact O-N 3.12Å |
| 767 | N | 28.4 | Very low | 28.4 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -164.7 | 54.3 | 169 | -106.8 | -33.3 | 0 | 0 | 0 | 114.3 | ||
| 768 | S | 26.9 | Very low | 28.1 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -157.7 | 53.4 | 170.9 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 769 | N | 26.6 | Very low | 27.9 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -159.3 | 52.5 | 167.4 | -107.4 | -17.5 | 0 | 0 | 0 | 112.9 | ||
| 770 | T | 26.6 | Very low | 27.4 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -152.9 | 141.9 | 166 | 12.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 771 | I | 26.6 | Very low | 27.2 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 94% | 0.938 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 78.5 | 110.8 | -163.1 | -52.7 | 164 | 0 | 0 | 0 | 111.7 | ||
| 772 | G | 25.9 | Very low | 27 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | 151.8 | -2.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 773 | N | 26 | Very low | 26.7 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -142.1 | 69 | 177.9 | -100.9 | -21.6 | 0 | 0 | 0 | 112.3 | ||||
| 774 | K | 25.8 | Very low | 26.6 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -157.5 | 58.3 | 166.7 | -153.9 | 170.1 | -172.3 | 174.1 | 0 | 113.1 | ||
| 775 | L | 25 | Very low | 26.4 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -160.3 | 160.3 | 166.4 | -108.9 | 162.4 | 0 | 0 | 0 | 108.6 | ||
| 776 | N | 26.1 | Very low | 26.3 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | 65.8 | 61.9 | 176 | -56 | 1.5 | 0 | 0 | 0 | 116 | ||||
| 777 | N | 24.9 | Very low | 26.1 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -137.9 | 59.4 | 145.2 | -146.4 | 16.1 | 0 | 0 | 0 | 110.6 | ||||
| 778 | E | 24.4 | Very low | 26.1 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -169.1 | 98.9 | 163 | -117.4 | 179.3 | -146.3 | 0 | 0 | 108.6 | ||||
| 779 | I | 27.8 | Very low | 26 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -172.3 | 100.3 | 145.7 | -90.4 | 149.1 | 0 | 0 | 0 | 104.2 | ||||
| 780 | S | 23.3 | Very low | 26 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | -122.6 | 146.6 | 164.6 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 781 | N | 24.7 | Very low | 26 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | 63.5 | 102.4 | 171 | -52.3 | -21.7 | 0 | 0 | 0 | 117.3 | ||||
| 782 | I | 28.9 | Very low | 25.9 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -161.1 | 130.7 | 139 | -107.1 | 156.4 | 0 | 0 | 0 | 110.4 | ||||
| 783 | L | 25.6 | Very low | 26 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | 68.7 | 157.7 | 166.2 | -100 | 60.4 | 0 | 0 | 0 | 118.3 | ||||
| 784 | P | 30 | Very low | 26 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | -141.5 | -176.9 | -107.1 | 44.3 | -25.4 | 0 | 0 | 0 | 116.6 | |||||
| 785 | S | 23 | Very low | 26.1 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 3.9 | 120.1 | 152.4 | 61.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 786 | T | 28.4 | Very low | 26.4 | Very low | 142 Ų | 142 | 150.3 Ų | 150.3 | 87% | 0.871 | 81% | 0.812 | S | S | * | * | -162.5 | 146.1 | 118.7 | 5.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 787 | D | 23.7 | Very low | 26.5 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -71.7 | 153.1 | 176.1 | -50.4 | -95.7 | 0 | 0 | 0 | 112.4 | ||||
| 788 | L | 28.5 | Very low | 26.7 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | 176.1 | 130.2 | 112.4 | -92.7 | 164.7 | 0 | 0 | 0 | 111.5 | |||||
| 789 | N | 24.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | -76.6 | 126.6 | 164.5 | -81.3 | -48.8 | 0 | 0 | 0 | 110 | ||||
| 790 | C | 26.2 | Very low | 26.8 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -161.2 | 109.6 | 154.3 | -136.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 791 | S | 25.8 | Very low | 27.1 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -86 | 157.2 | 157.7 | -31.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 792 | E | 25.6 | Very low | 27.3 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | cis | -146 | 158.2 | 8.3 | -83.4 | -166.4 | 82.4 | 0 | 0 | 112.2 | ||||
| 793 | N | 27.4 | Very low | 27.4 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 38.6 | 128.1 | 139.2 | -66 | -46.7 | 0 | 0 | 0 | 122.6 | ||||
| 794 | L | 27.1 | Very low | 27.5 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -123 | 129.4 | 152.5 | -127.1 | 174.7 | 0 | 0 | 0 | 110.7 | ||||
| 795 | K | 26.8 | Very low | 27.2 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 153 | -168.1 | -55.3 | 172.3 | -179.1 | 175.6 | 0 | 112.6 | ||
| 796 | F | 32.5 | Very low | 27.4 | Very low | 216 Ų | 216 | 141.3 Ų | 141.3 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -67 | 157 | 151 | -87 | -81.8 | 0 | 0 | 0 | 110.3 | ||
| 797 | K | 27.6 | Very low | 27.2 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -94.3 | 143 | -137.3 | -156.7 | 169.9 | -177.7 | 176.8 | 0 | 115.4 | ||
| 798 | T | 27.7 | Very low | 27.3 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | trans | 71 | 127 | 158.3 | 32.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 799 | N | 26.1 | Very low | 27.2 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | trans | 75.2 | 131.2 | 143.5 | -61.7 | 5.2 | 0 | 0 | 0 | 118.4 | ||||
| 800 | T | 28.7 | Very low | 27.4 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | cis | -143.3 | 151.3 | -3 | 43.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 801 | T | 29.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | 37.4 | 121.4 | 152.8 | 60.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 802 | D | 28.7 | Very low | 27.5 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -172.8 | -178.6 | -7 | -113.7 | -52.7 | 0 | 0 | 0 | 106.3 | ||||
| 803 | L | 30.9 | Very low | 27.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | cis | -143.3 | -138.5 | 7.5 | -139.7 | 179.8 | 0 | 0 | 0 | 109.4 | ||||
| 804 | N | 28 | Very low | 27.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | -124.6 | 155 | -173.6 | -56.1 | -35.7 | 0 | 0 | 0 | 110.1 | ||||
| 805 | S | 24.8 | Very low | 27.3 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | 76.7 | 149.5 | 24.8 | 99.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 806 | V | 26.1 | Very low | 27.2 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 58% | 0.582 | 73% | 0.732 | S | S | * | * | cis | -170.1 | 154.6 | -11.9 | 114.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 807 | N | 25.4 | Very low | 26.8 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | 59.1 | -178.9 | 165 | -67.2 | -8.1 | 0 | 0 | 0 | 117.7 | ||||
| 808 | I | 24.7 | Very low | 26.7 | Very low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | cis | -145.5 | 138.7 | 20.9 | -67 | 171.3 | 0 | 0 | 0 | 114.1 | ||||
| 809 | N | 25.8 | Very low | 26.5 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | trans | 20.5 | 140.2 | 151.8 | -48.3 | -6.2 | 0 | 0 | 0 | 125.1 | ||||
| 810 | S | 28.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | trans | -167 | 177.4 | 144.7 | 57.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 811 | I | 26.8 | Very low | 26.3 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | -153.5 | 161 | -74.5 | -148.8 | 172.5 | 0 | 0 | 0 | 112.3 | |||||
| 812 | N | 29.1 | Very low | 26.1 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | 59.3 | 111.6 | 163.8 | -73.2 | 4.7 | 0 | 0 | 0 | 123.4 | ||||
| 813 | S | 23.9 | Very low | 25.8 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | 43.7 | 147.3 | 104.1 | -40.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 814 | D | 25.5 | Very low | 25.8 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | 90.4 | 104.5 | 140.5 | -65.7 | -32.6 | 0 | 0 | 0 | 123.2 | ||||
| 815 | N | 24.6 | Very low | 25.6 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 69% | 0.69 | 71% | 0.709 | S | S | * | * | 78.5 | 131.5 | 119 | -78.3 | -44.5 | 0 | 0 | 0 | 124.3 | |||||
| 816 | I | 25.6 | Very low | 25.8 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | 83.3 | 111.1 | 130.8 | -71.1 | 170.8 | 0 | 0 | 0 | 120.2 | ||||
| 817 | N | 23.4 | Very low | 25.7 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 79.6 | 137.7 | 138.6 | -76.9 | 3 | 0 | 0 | 0 | 124.8 | ||||
| 818 | T | 25.3 | Very low | 25.7 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | trans | 74.8 | 96.7 | 136.9 | 50.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 819 | T | 24.6 | Very low | 25.7 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | 68 | 133.5 | 119 | 60.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 820 | N | 23.5 | Very low | 25.9 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 91.5 | 134.6 | 130.5 | -79.1 | 5.3 | 0 | 0 | 0 | 121.7 | ||||
| 821 | I | 26.4 | Very low | 26.2 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | 73.8 | 128.6 | 139.4 | -68.2 | 168.2 | 0 | 0 | 0 | 116.5 | ||||
| 822 | T | 26 | Very low | 26.3 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | cis | -167.9 | 142.9 | -7.2 | 26.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 823 | T | 23.6 | Very low | 26.2 | Very low | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | trans | 56.9 | 166.2 | 139.9 | 66.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 824 | I | 29.7 | Very low | 26.3 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | trans | 74.3 | 138.5 | 163.3 | -56.4 | 164.6 | 0 | 0 | 0 | 115.1 | ||||
| 825 | S | 24.1 | Very low | 26.4 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 73% | 0.725 | S | S | * | * | cis | -176.8 | 160.5 | -36.5 | 61.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 826 | N | 28.3 | Very low | 26.7 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 70.7 | 106.3 | 154.7 | -55.3 | -15.8 | 0 | 0 | 0 | 121.3 | ||||
| 827 | N | 24.7 | Very low | 26.8 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | 30.8 | 148.1 | 124.5 | -65.5 | -14.8 | 0 | 0 | 0 | 124 | |||||
| 828 | I | 25.8 | Very low | 27 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | trans | 79.9 | 139.6 | 152.5 | -82.6 | 166.6 | 0 | 0 | 0 | 116.4 | ||||
| 829 | T | 25 | Very low | 27 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | cis | -148.1 | 177.9 | 9.2 | -7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 830 | Y | 28.9 | Very low | 27 | Very low | 221 Ų | 221 | 137.8 Ų | 137.8 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -92.9 | -173.6 | 162.4 | -66.9 | -83 | 0 | 0 | 0 | 112.1 | ||||
| 831 | P | 35.6 | Very low | 27.1 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -140.2 | -162.6 | 0.6 | 39.1 | -16.1 | 0 | 0 | 0 | 117.2 | ||||
| 832 | I | 29.1 | Very low | 27.8 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 82% | 0.821 | 74% | 0.738 | S | S | * | * | trans | 85.7 | 155 | 156.4 | -75.7 | 166 | 0 | 0 | 0 | 120.7 | ||||
| 833 | N | 26.5 | Very low | 27.7 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | cis | -173.2 | 163 | -47 | -148.2 | -6.5 | 0 | 0 | 0 | 114.3 | ||||
| 834 | W | 25.9 | Very low | 27.7 | Very low | 223 Ų | 223 | 142.2 Ų | 142.2 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | 64.8 | 155.4 | 158.8 | -75.5 | 11.2 | 0 | 0 | 0 | 121.6 | ||||
| 835 | S | 28.6 | Very low | 27.4 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | cis | -171.3 | 148.4 | -19 | 56 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 836 | N | 29.3 | Very low | 27.4 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 62.9 | 164 | 150.4 | -64.7 | -3.5 | 0 | 0 | 0 | 122.2 | ||||
| 837 | F | 28.3 | Very low | 27.3 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | cis | -160.3 | 153 | 11.4 | -126.1 | -42.8 | 0 | 0 | 0 | 114.3 | ||||
| 838 | N | 27.2 | Very low | 27.3 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | trans | 63.7 | 147.3 | 154.3 | -66.6 | -22.4 | 0 | 0 | 0 | 120.6 | ||||
| 839 | N | 26.1 | Very low | 27.2 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | -146.5 | 156.1 | 7.3 | -108.3 | -16.6 | 0 | 0 | 0 | 111.5 | ||||
| 840 | S | 25.4 | Very low | 27.4 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | 67.4 | 100.4 | 162.8 | -57 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 841 | I | 25.3 | Very low | 27.1 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | trans | 31.3 | 133.1 | 136.1 | -50.3 | 171.2 | 0 | 0 | 0 | 119.1 | ||||
| 842 | P | 39.7 | Very low | 26.7 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | S | Bend | cis | -123.2 | -161.9 | 2.9 | 39.7 | -22.2 | 0 | 0 | 0 | 113.2 | ||
| 843 | I | 25.3 | Very low | 26.7 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 71% | 0.709 | S | S | * | * | trans | 61.4 | 99.7 | -163.1 | -54.6 | 179 | 0 | 0 | 0 | 110.8 | ||||
| 844 | N | 23.5 | Very low | 26.7 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -160.8 | 144 | 161 | -121 | 19.5 | 0 | 0 | 0 | 109.2 | ||||
| 845 | V | 23.7 | Very low | 26.8 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 60% | 0.6 | 70% | 0.697 | S | S | * | * | cis | -176.9 | 164.7 | -31.1 | 113.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 846 | N | 24.2 | Very low | 26.6 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | 21.3 | 133.2 | 153.2 | -56.8 | -8.4 | 0 | 0 | 0 | 119.5 | ||||
| 847 | N | 25.2 | Very low | 26.4 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | 49.8 | 120.3 | 86.8 | -137.8 | 2.7 | 0 | 0 | 0 | 113.3 | |||||
| 848 | L | 25.2 | Very low | 26.3 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 56% | 0.555 | 70% | 0.697 | S | S | * | * | trans | 72.8 | 80.3 | 166.3 | -61.1 | 164.5 | 0 | 0 | 0 | 119 | I850 | L848-I850 HydrophobicContact CB-CG1 4.16Å; L848-I850 HydrophobicContact CD2-CG1 4.46Å | ||
| 849 | K | 24.2 | Very low | 26.2 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 90% | 0.904 | 71% | 0.705 | S | S | * | * | S | Bend | -86.8 | 98.4 | 96.2 | -88.6 | -173.8 | 174.3 | -178.8 | 0 | 105.7 | |||
| 850 | I | 27.3 | Very low | 26.4 | Very low | 118 Ų | 118 | 131 Ų | 131 | 61% | 0.605 | 70% | 0.704 | S | S | * | * | 60.5 | 83.6 | 82.9 | -62.6 | 174.6 | 0 | 0 | 0 | 105.3 | L848 | L848-I850 HydrophobicContact CB-CG1 4.16Å; L848-I850 HydrophobicContact CD2-CG1 4.46Å | |||
| 851 | N | 23.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | 43.3 | 114.8 | 84 | -64.7 | 19.2 | 0 | 0 | 0 | 109.2 | |||||
| 852 | N | 27.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | -159.3 | 152.4 | 81.4 | -78.3 | -13.3 | 0 | 0 | 0 | 109 | |||||
| 853 | N | 28.7 | Very low | 25.8 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 52% | 0.524 | 68% | 0.681 | S | S | . | * | cis | -164 | 161.5 | -10.7 | -113.5 | -4.2 | 0 | 0 | 0 | 109.9 | ||||
| 854 | N | 27 | Very low | 25.9 | Very low | 118 Ų | 118 | 121 Ų | 121 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | trans | 51.1 | 129.8 | 135 | -60.2 | 9.4 | 0 | 0 | 0 | 121.6 | ||||
| 855 | N | 26.9 | Very low | 26 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | 85.7 | 119.5 | 127.9 | -70.6 | 33 | 0 | 0 | 0 | 120.8 | |||||
| 856 | E | 24.1 | Very low | 26.3 | Very low | 146 Ų | 146 | 120.3 Ų | 120.3 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | 74.1 | 117.5 | 120.6 | -64.4 | 176.4 | 130.3 | 0 | 0 | 121.3 | |||||
| 857 | I | 26.7 | Very low | 26.6 | Very low | 139 Ų | 139 | 118 Ų | 118 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | 59.9 | 108.2 | 120.9 | -56 | 167.3 | 0 | 0 | 0 | 117.3 | |||||
| 858 | S | 24.5 | Very low | 26.6 | Very low | 93 Ų | 93 | 116.2 Ų | 116.2 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | 85.6 | 152.7 | 142.9 | 79.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 859 | H | 26.7 | Very low | 26.9 | Very low | 180 Ų | 180 | 117.1 Ų | 117.1 | 83% | 0.833 | 63% | 0.634 | S | S | * | * | trans | 68.4 | 152.8 | 171.6 | -66.9 | -73.2 | 0 | 0 | 0 | 119.2 | ||||
| 860 | P | 30.5 | Very low | 27.1 | Very low | 112 Ų | 112 | 110.7 Ų | 110.7 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | trans | -126.6 | 179.1 | -155.6 | 42 | -25.8 | 0 | 0 | 0 | 115.5 | ||||
| 861 | A | 24.7 | Very low | 26.9 | Very low | 81 Ų | 81 | 109.3 Ų | 109.3 | 67% | 0.669 | 62% | 0.616 | S | S | * | * | trans | 78.9 | 136.7 | 153 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 862 | T | 25.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 70% | 0.699 | 63% | 0.625 | S | S | * | * | trans | 54.4 | 99 | 148 | 51.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 863 | S | 27.1 | Very low | 26.9 | Very low | 68 Ų | 68 | 113.5 Ų | 113.5 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | 88.2 | 164.2 | 85.3 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 864 | T | 27 | Very low | 26.7 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 42% | 0.417 | 63% | 0.633 | S | S | . | * | cis | -165.9 | 166.7 | 25.8 | -21.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 865 | F | 25.9 | Very low | 26.5 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 56% | 0.557 | 63% | 0.628 | S | S | * | * | trans | 66.9 | 147 | 157 | -70 | -52.6 | 0 | 0 | 0 | 120.3 | I951 | F865-I951 HydrophobicContact CD1-CG2 4.48Å; F865-I951 WeakPolarHBondContact CD1-O 3.26Å; F865-I951 VanDerWaalsContact CE1-O 3.29Å; F865-I951 WeakPolarHBondContact CE1-O 3.43Å | ||
| 866 | N | 28.6 | Very low | 26.4 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 60% | 0.599 | 63% | 0.626 | S | S | * | * | cis | -146.5 | 125.7 | 5.4 | -83.7 | -45.4 | 0 | 0 | 0 | 114.6 | N950 | N866-N950 CarbonylContact C-O 3.55Å; N866-N950 VanDerWaalsContact C-O 3.29Å; N866-N950 WeakPolarHBondContact CA-O 3.37Å; N866-N950 PolarHBondContact OD1-O 2.66Å | ||
| 867 | N | 30.3 | Very low | 26.4 | Very low | 84 Ų | 84 | 113.2 Ų | 113.2 | 45% | 0.449 | 63% | 0.627 | S | S | . | * | trans | -171.4 | 145.6 | 163.9 | -115.4 | -70.2 | 0 | 0 | 0 | 120.2 | G949 N950 I951 | N867-G949 PolarHBondContact OD1-N 2.74Å; N867-N950 VanDerWaalsContact C-C 3.44Å; N867-N950 VanDerWaalsContact C-CA 3.45Å; N867-N950 PolarHBondContact N-O 2.91Å; N867-N950 CarbonylContact O-C 2.99Å; N867-N950 WeakPolarHBondContact O-CA 3.46Å; N867-N950 VanDerWaalsContact O-CB 3.24Å; N867-N950 WeakPolarHBondContact O-CB 3.44Å; N867-I951 HydrophobicContact CB-CD1 4.18Å; N867-I951 HydrophobicContact CB-CG1 4.17Å; N867-I951 VanDerWaalsContact N-CG1 3.26Å; N867-I951 PolarHBondContact O-N 3.34Å | ||
| 868 | F | 25.9 | Very low | 26.4 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 46% | 0.461 | 63% | 0.626 | S | S | . | * | trans | -82.5 | -169.4 | -160.6 | -138.2 | -11.5 | 0 | 0 | 0 | 119.4 | Y948 G949 N950 | F868-Y948 WeakPolarHBondContact CB-O 3.32Å; F868-Y948 WeakPolarHBondContact CD2-O 3.4Å; F868-G949 VanDerWaalsContact CB-O 3.3Å; F868-G949 WeakPolarHBondContact CB-O 3.31Å; F868-G949 WeakPolarHBondContact CD2-O 3.46Å; F868-G949 VanDerWaalsContact CG-C 3.45Å; F868-G949 WeakPolarHBondContact CG-O 3.39Å; F868-G949 VanDerWaalsContact N-CA 3.27Å; F868-N950 HydrophobicContact CB-CB 4.44Å; F868-N950 HydrophobicContact CD1-CB 3.66Å; F868-N950 HydrophobicContact CE1-CB 4.37Å; F868-N950 HydrophobicContact CG-CB 4.35Å | ||
| 869 | T | 30.8 | Very low | 26.4 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 77% | 0.767 | 63% | 0.628 | S | S | * | * | cis | -138.6 | 157.7 | 44.2 | -43.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 870 | S | 28.9 | Very low | 26.4 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | trans | -75.9 | 177.7 | 171.3 | 45 | 0 | 0 | 0 | 0 | 115 | ||||
| 871 | S | 24.2 | Very low | 26.1 | Very low | 89 Ų | 89 | 115.2 Ų | 115.2 | 62% | 0.622 | 63% | 0.629 | S | S | * | * | cis | -172.8 | 169.3 | -24.4 | -83.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 872 | F | 26.6 | Very low | 26.2 | Very low | 181 Ų | 181 | 118 Ų | 118 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | trans | 71.1 | 137.3 | 173.5 | -58.1 | -80.6 | 0 | 0 | 0 | 116 | ||||
| 873 | Q | 23.3 | Very low | 26.3 | Very low | 156 Ų | 156 | 115.4 Ų | 115.4 | 73% | 0.729 | 63% | 0.627 | S | S | * | * | cis | 69.1 | 136.4 | 46.2 | -70.4 | -175.8 | -44.2 | 0 | 0 | 113.3 | ||||
| 874 | L | 25.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 120 Ų | 120 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | cis | -133.9 | 142.1 | 1.7 | -89.6 | 120.9 | 0 | 0 | 0 | 108.4 | ||||
| 875 | N | 22.6 | Very low | 26.4 | Very low | 97 Ų | 97 | 123.6 Ų | 123.6 | 52% | 0.519 | 66% | 0.66 | S | S | . | * | 72.8 | 110.5 | 81 | -156.4 | 10.1 | 0 | 0 | 0 | 116.3 | |||||
| 876 | N | 24.3 | Very low | 26.5 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | trans | 63.4 | 140.9 | 157.5 | -74.9 | -11.7 | 0 | 0 | 0 | 124.1 | ||||
| 877 | N | 25.4 | Very low | 26.3 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | 75.2 | 114.3 | 157.3 | -59.1 | -11.6 | 0 | 0 | 0 | 120.5 | ||||
| 878 | N | 26 | Very low | 26.1 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | trans | 67.3 | 148.3 | 144.3 | -63.5 | 32.2 | 0 | 0 | 0 | 117.9 | ||||
| 879 | E | 24.2 | Very low | 26 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | cis | -160.3 | 170.9 | -11.5 | -121.1 | 173.5 | 133.5 | 0 | 0 | 109.2 | ||||
| 880 | T | 26.2 | Very low | 25.8 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | trans | 63 | 122 | 159.9 | 49.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 881 | M | 25.1 | Very low | 25.5 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 82% | 0.823 | 71% | 0.714 | S | S | * | * | 72.5 | 130.7 | 91.7 | -142 | -161.1 | 173.9 | 0 | 0 | 112 | |||||
| 882 | I | 27.5 | Very low | 25.7 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | cis | -148.1 | 147.6 | 34.2 | -65.2 | 158.5 | 0 | 0 | 0 | 108.3 | ||||
| 883 | G | 26.8 | Very low | 25.6 | Very low | 61 Ų | 61 | 138.1 Ų | 138.1 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | cis | 153.7 | -172.8 | -4.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 884 | M | 26.8 | Very low | 25.7 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | 70 | 128.6 | 173.3 | -54.1 | -178.7 | -179.7 | 0 | 0 | 116.2 | ||||
| 885 | N | 29.7 | Very low | 25.8 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | cis | -111.2 | 126.2 | 14.7 | -78.3 | -43.2 | 0 | 0 | 0 | 115 | ||||
| 886 | L | 27.7 | Very low | 25.9 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | 28.4 | 115.9 | 112.1 | -59.7 | 164.4 | 0 | 0 | 0 | 116.1 | |||||
| 887 | T | 24 | Very low | 26.1 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 56.5 | 142.5 | 74.3 | 72.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 888 | N | 27.1 | Very low | 26.2 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | cis | -155.3 | 174.5 | 19.4 | -148.9 | -0.9 | 0 | 0 | 0 | 113.9 | ||||
| 889 | N | 23.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | trans | -87.7 | 138.2 | 171 | -114 | -43.2 | 0 | 0 | 0 | 112.5 | ||||
| 890 | Q | 25.3 | Very low | 26.6 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | 60.7 | 162.5 | 142.1 | -66.8 | 175.1 | 26.1 | 0 | 0 | 122.3 | ||||
| 891 | Q | 24.1 | Very low | 26.6 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | 70.1 | 141.7 | -175.6 | -48.6 | -170.4 | 12.1 | 0 | 0 | 113.1 | ||||
| 892 | I | 27.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | cis | -126.2 | 143.2 | 22.2 | -70.2 | 167.2 | 0 | 0 | 0 | 112.2 | L894 | I892-L894 HydrophobicContact CG2-CB 4.2Å; I892-L894 HydrophobicContact CG2-CD1 4.42Å | ||
| 893 | K | 23.9 | Very low | 26.9 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | -85.9 | 115.5 | 163.6 | -126.8 | -177.6 | -175.6 | 178.2 | 0 | 107.7 | ||||
| 894 | L | 26.9 | Very low | 26.8 | Very low | 141 Ų | 141 | 148.1 Ų | 148.1 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -155.8 | 121.2 | 164.5 | -111.2 | 172.8 | 0 | 0 | 0 | 113.7 | I892 | I892-L894 HydrophobicContact CG2-CB 4.2Å; I892-L894 HydrophobicContact CG2-CD1 4.42Å | ||
| 895 | N | 27.1 | Very low | 26.8 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | 28.5 | 126.1 | 157.2 | -60.9 | -4.4 | 0 | 0 | 0 | 122.5 | ||||
| 896 | K | 24.8 | Very low | 26.7 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | -73.9 | 132.4 | 147.8 | -70.2 | 174.9 | 175.7 | 173.1 | 0 | 110.4 | ||||
| 897 | S | 28.4 | Very low | 26.6 | Very low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -157.5 | 129.2 | 142.3 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 898 | I | 27.9 | Very low | 26.7 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 136.7 | -171.1 | -65.9 | 154.4 | 0 | 0 | 0 | 111.4 | ||||
| 899 | Q | 29.3 | Very low | 26.6 | Very low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -160.9 | 138.9 | 134.4 | -118.4 | 173.1 | -12.5 | 0 | 0 | 112.1 | ||||
| 900 | D | 27.9 | Very low | 26.8 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -81 | 159 | 176.6 | -53.9 | -89.7 | 0 | 0 | 0 | 111.3 | ||||
| 901 | G | 27.2 | Very low | 27 | Very low | 61 Ų | 61 | 142.6 Ų | 142.6 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | cis | 163.2 | 173.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 902 | N | 29.4 | Very low | 27.7 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -171.5 | 126 | 145.8 | -108.3 | -15 | 0 | 0 | 0 | 116 | ||||
| 903 | T | 28.7 | Very low | 27.8 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 46.6 | 99.1 | 139.8 | 58.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 904 | N | 25.3 | Very low | 28.1 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | -48.6 | 156.5 | 119.3 | -81.9 | -30.6 | 0 | 0 | 0 | 111.4 | |||||
| 905 | V | 27.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | cis | -165.4 | 142.1 | 9.8 | 119.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 906 | F | 27.6 | Very low | 28.2 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | trans | 37.3 | 135.3 | 152 | -67.4 | -126.8 | 0 | 0 | 0 | 123.1 | ||||
| 907 | T | 26.4 | Very low | 28.4 | Very low | 136 Ų | 136 | 123.7 Ų | 123.7 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | -144.7 | 133.8 | 119.4 | 41.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 908 | S | 25.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | trans | -18 | 158.9 | 148.4 | 47.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 909 | S | 25.6 | Very low | 28.4 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | 177 | 143 | -8.7 | 51.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 910 | S | 28.3 | Very low | 28.4 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -179 | 162.9 | 149.8 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 911 | S | 29.6 | Very low | 28.4 | Very low | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -108.2 | -169.6 | 176.5 | -40.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 912 | P | 38.6 | Very low | 28.6 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -143.3 | 179.9 | -2.8 | 37.4 | -14.8 | 0 | 0 | 0 | 118 | ||||
| 913 | S | 28.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 72.2 | 139.3 | 138.3 | 59.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 914 | S | 29.8 | Very low | 28.5 | Very low | 101 Ų | 101 | 116.8 Ų | 116.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 86.4 | 101.4 | 133.2 | 60.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 915 | S | 28.4 | Very low | 28.7 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | 73.9 | 128.7 | 117 | 68.9 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 916 | S | 28.1 | Very low | 28.7 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | 87.2 | 117.1 | 126.8 | 62.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 917 | S | 28.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | 82.4 | 110.3 | 123.8 | 66.2 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 918 | S | 29 | Very low | 28.8 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | 73.3 | 155.4 | 131.9 | 82.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 919 | S | 28.3 | Very low | 28.8 | Very low | 98 Ų | 98 | 118 Ų | 118 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -160.2 | 175.8 | 10 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 920 | S | 28.7 | Very low | 28.9 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | trans | 74.2 | 148.4 | 160 | 76 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 921 | S | 27.6 | Very low | 28.6 | Very low | 103 Ų | 103 | 123.1 Ų | 123.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -167.5 | 169 | -17.5 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 922 | S | 31.3 | Very low | 29.1 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | 70.2 | 148.5 | 175.4 | 76.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 923 | S | 29.4 | Very low | 28.5 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | cis | -174.1 | 163.5 | -18.3 | 48.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 924 | M | 27.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -166.3 | 170.8 | -19.3 | -105.6 | 171 | 67.4 | 0 | 0 | 110.2 | ||||
| 925 | N | 28.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 129 Ų | 129 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | 71.3 | 108.2 | 160.5 | -64.4 | 4.8 | 0 | 0 | 0 | 121.9 | ||||
| 926 | N | 28.7 | Very low | 28.1 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | 78.6 | 135.5 | 132.8 | -65.6 | 37.9 | 0 | 0 | 0 | 123.7 | ||||
| 927 | E | 29.2 | Very low | 28.1 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | 69.2 | 38.8 | 143.3 | -72.1 | 150.4 | -124.9 | 0 | 0 | 120.5 | ||||
| 928 | A | 25.6 | Very low | 27.8 | Very low | 94 Ų | 94 | 138.6 Ų | 138.6 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | 48.7 | 76.6 | 122.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 929 | E | 25.7 | Very low | 27.6 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -110.7 | 144.1 | 149.9 | -64.9 | -175.4 | 151.7 | 0 | 0 | 109.2 | ||||
| 930 | S | 27 | Very low | 27.3 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -127.1 | 130.5 | -159.4 | -65.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 931 | Y | 23.6 | Very low | 27.2 | Very low | 225 Ų | 225 | 141.9 Ų | 141.9 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -116 | -165 | 163.3 | -81.4 | -92.1 | 0 | 0 | 0 | 108.8 | ||||
| 932 | P | 39.2 | Very low | 27.2 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | -132.4 | -167 | -94.4 | 41.1 | -21.2 | 0 | 0 | 0 | 115 | |||||
| 933 | L | 26.7 | Very low | 27 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 91.6 | 149.3 | 154.6 | -150 | 77 | 0 | 0 | 0 | 119.6 | ||||
| 934 | M | 24.7 | Very low | 27 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | 87.8 | 152.5 | 161 | -128 | 64.6 | 156.9 | 0 | 0 | 118.4 | ||||
| 935 | S | 26.1 | Very low | 27 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -126.3 | 143.9 | -157.6 | 57.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 936 | R | 27.6 | Very low | 27 | Very low | 251 Ų | 251 | 143.5 Ų | 143.5 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | trans | -177.4 | 169.4 | 137.9 | -101.7 | 169.9 | -166.1 | -146.5 | 4.2 | 111.4 | ||||
| 937 | I | 26.8 | Very low | 27 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | trans | -126.7 | 134.3 | -162.7 | -57.2 | 163.4 | 0 | 0 | 0 | 110.3 | ||||
| 938 | S | 24.1 | Very low | 27 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 160.2 | 122.3 | 132.2 | -73.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 939 | L | 23.5 | Very low | 27.3 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 61.2 | 135.3 | 133.6 | -67.7 | 163.9 | 0 | 0 | 0 | 123.4 | ||||
| 940 | S | 22.9 | Very low | 27.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 77.1 | 154.8 | 156.5 | 87.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 941 | N | 25.6 | Very low | 27.6 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | cis | -156.9 | 168.5 | 6.9 | -144.4 | -3.7 | 0 | 0 | 0 | 114 | ||||
| 942 | N | 27.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 126 Ų | 126 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | trans | 69.8 | 108.6 | 148.9 | -68 | -24.8 | 0 | 0 | 0 | 123.1 | ||||
| 943 | N | 27.4 | Very low | 27.5 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 64% | 0.642 | 68% | 0.681 | S | S | * | * | 78.7 | 128 | 110 | -59.6 | -11.7 | 0 | 0 | 0 | 124 | |||||
| 944 | N | 29.7 | Very low | 27.5 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | trans | 74 | 143.6 | 134.4 | -61.3 | -2 | 0 | 0 | 0 | 120.1 | ||||
| 945 | N | 26.7 | Very low | 27.7 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | cis | -168.5 | 167.6 | -13.1 | -110.8 | -12.1 | 0 | 0 | 0 | 112.7 | ||||
| 946 | N | 29.4 | Very low | 27.9 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | trans | 77.6 | 139.8 | 164.2 | -46.8 | -37.2 | 0 | 0 | 0 | 118.5 | ||||
| 947 | G | 28.5 | Very low | 27.8 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | cis | 163.7 | 166.8 | -13 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 948 | Y | 28.8 | Very low | 27.7 | Very low | 195 Ų | 195 | 117.7 Ų | 117.7 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | trans | 93.3 | 119.9 | 157.3 | -69.2 | -80.1 | 0 | 0 | 0 | 125.9 | F868 | F868-Y948 WeakPolarHBondContact CB-O 3.32Å; F868-Y948 WeakPolarHBondContact CD2-O 3.4Å | ||
| 949 | G | 31.4 | Very low | 27.6 | Very low | 36 Ų | 36 | 118.2 Ų | 118.2 | 37% | 0.371 | 67% | 0.669 | S | S | . | * | trans | 60.4 | 127.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 126.2 | N867 F868 | N867-G949 PolarHBondContact OD1-N 2.74Å; F868-G949 VanDerWaalsContact CB-O 3.3Å; F868-G949 WeakPolarHBondContact CB-O 3.31Å; F868-G949 WeakPolarHBondContact CD2-O 3.46Å; F868-G949 VanDerWaalsContact CG-C 3.45Å; F868-G949 WeakPolarHBondContact CG-O 3.39Å; F868-G949 VanDerWaalsContact N-CA 3.27Å | ||
| 950 | N | 29.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 117.6 Ų | 117.6 | 51% | 0.508 | 67% | 0.665 | S | S | . | * | cis | 46.2 | -140.2 | -30.8 | -144.2 | 43.6 | 0 | 0 | 0 | 131.9 | N866 N867 F868 | N866-N950 CarbonylContact C-O 3.55Å; N866-N950 VanDerWaalsContact C-O 3.29Å; N866-N950 WeakPolarHBondContact CA-O 3.37Å; N866-N950 PolarHBondContact OD1-O 2.66Å; N867-N950 VanDerWaalsContact C-C 3.44Å; N867-N950 VanDerWaalsContact C-CA 3.45Å; N867-N950 PolarHBondContact N-O 2.91Å; N867-N950 CarbonylContact O-C 2.99Å; N867-N950 WeakPolarHBondContact O-CA 3.46Å; N867-N950 VanDerWaalsContact O-CB 3.24Å; N867-N950 WeakPolarHBondContact O-CB 3.44Å; F868-N950 HydrophobicContact CB-CB 4.44Å; F868-N950 HydrophobicContact CD1-CB 3.66Å; F868-N950 HydrophobicContact CE1-CB 4.37Å; F868-N950 HydrophobicContact CG-CB 4.35Å | ||
| 951 | I | 30.5 | Very low | 27.7 | Very low | 43 Ų | 43 | 120.9 Ų | 120.9 | 22% | 0.221 | 67% | 0.666 | C | S | . | * | trans | 68.5 | 139.4 | -155.2 | -77.7 | 177.4 | 0 | 0 | 0 | 114.4 | F865 N867 | F865-I951 HydrophobicContact CD1-CG2 4.48Å; F865-I951 WeakPolarHBondContact CD1-O 3.26Å; F865-I951 VanDerWaalsContact CE1-O 3.29Å; F865-I951 WeakPolarHBondContact CE1-O 3.43Å; N867-I951 HydrophobicContact CB-CD1 4.18Å; N867-I951 HydrophobicContact CB-CG1 4.17Å; N867-I951 VanDerWaalsContact N-CG1 3.26Å; N867-I951 PolarHBondContact O-N 3.34Å | ||
| 952 | N | 29.3 | Very low | 27.8 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | cis | -157.2 | -126.2 | -21.7 | -91.3 | -10.2 | 0 | 0 | 0 | 107.4 | ||||
| 953 | N | 29.6 | Very low | 27.6 | Very low | 101 Ų | 101 | 122 Ų | 122 | 54% | 0.54 | 68% | 0.679 | S | S | . | * | cis | -168.2 | 133.7 | -5.9 | -147.7 | 86.3 | 0 | 0 | 0 | 114.6 | ||||
| 954 | S | 27.6 | Very low | 27.4 | Very low | 86 Ų | 86 | 123.6 Ų | 123.6 | 60% | 0.601 | 69% | 0.687 | S | S | * | * | trans | 59.2 | 156.8 | 152.2 | 56.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 955 | N | 29.4 | Very low | 27.2 | Very low | 161 Ų | 161 | 123.8 Ų | 123.8 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | cis | -166.1 | 173.2 | -21.7 | -99.7 | -11.6 | 0 | 0 | 0 | 110.6 | ||||
| 956 | N | 29.1 | Very low | 27.1 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -56.6 | 149.5 | 177.2 | -71 | -31.6 | 0 | 0 | 0 | 116.2 | ||||
| 957 | M | 25.1 | Very low | 27.2 | Very low | 181 Ų | 181 | 126.5 Ų | 126.5 | 89% | 0.892 | 70% | 0.7 | S | S | * | * | trans | -151 | 170.4 | 138.6 | -121.5 | -57.7 | 171.7 | 0 | 0 | 111.5 | ||||
| 958 | S | 24.7 | Very low | 27.3 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -125.1 | 166.3 | -172.9 | 64.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 959 | C | 23.5 | Very low | 27.3 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | trans | 52.2 | 111.2 | 173.8 | 68 | 0 | 0 | 0 | 0 | 119 | ||||
| 960 | L | 22.7 | Very low | 27.2 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | 170.3 | 128.3 | 113.5 | -89.7 | 162.3 | 0 | 0 | 0 | 110.5 | |||||
| 961 | F | 25.2 | Very low | 27.1 | Very low | 177 Ų | 177 | 127.4 Ų | 127.4 | 78% | 0.776 | 71% | 0.711 | S | S | * | * | trans | 42.1 | 139.6 | 167.7 | -67.3 | -83.2 | 0 | 0 | 0 | 120.5 | ||||
| 962 | P | 27.6 | Very low | 27.1 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | -131.3 | 129.9 | 116 | 34.9 | -27.5 | 0 | 0 | 0 | 113.9 | |||||
| 963 | N | 23 | Very low | 27.1 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | -61.2 | 150.9 | 141.4 | -81.6 | -49.5 | 0 | 0 | 0 | 108.9 | ||||
| 964 | L | 23.6 | Very low | 26.9 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | trans | 24.3 | 125.4 | 141.5 | -56.3 | 164.5 | 0 | 0 | 0 | 116.9 | ||||
| 965 | T | 26.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | -156.6 | 158.6 | 58.3 | 40.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 966 | Y | 24.6 | Very low | 26.5 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 151.7 | 158.5 | -91 | -101.7 | 0 | 0 | 0 | 111.9 | ||||
| 967 | P | 31.4 | Very low | 26.3 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -98.2 | 106.9 | 140.8 | 33 | -25.6 | 0 | 0 | 0 | 110.5 | ||||
| 968 | S | 29 | Very low | 26.2 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | trans | -89.4 | 177.1 | 154.7 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 969 | L | 29.2 | Very low | 26.2 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | -174 | 172.4 | 33.8 | -165.3 | 55.4 | 0 | 0 | 0 | 110.5 | Q971 | L969-Q971 HydrophobicContact CD1-CG 3.86Å; L969-Q971 HydrophobicContact CD2-CG 4.3Å; L969-Q971 HydrophobicContact CG-CB 4.39Å; L969-Q971 HydrophobicContact CG-CG 3.81Å | ||
| 970 | G | 28.9 | Very low | 26.1 | Very low | 67 Ų | 67 | 140.1 Ų | 140.1 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 147.2 | 68.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 971 | Q | 29.5 | Very low | 26.2 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | 51.7 | 129.3 | 64.7 | -75.1 | -169.9 | -7 | 0 | 0 | 112.4 | L969 | L969-Q971 HydrophobicContact CD1-CG 3.86Å; L969-Q971 HydrophobicContact CD2-CG 4.3Å; L969-Q971 HydrophobicContact CG-CB 4.39Å; L969-Q971 HydrophobicContact CG-CG 3.81Å | |||
| 972 | D | 29.4 | Very low | 26 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -117.4 | 172.9 | 34.3 | -79 | -23.3 | 0 | 0 | 0 | 115.1 | ||||
| 973 | K | 28.9 | Very low | 25.8 | Very low | 147 Ų | 147 | 142 Ų | 142 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | cis | -161.7 | 124.7 | -22.1 | -104.9 | 163.2 | 177.4 | 88.2 | 0 | 106.3 | ||||
| 974 | F | 26 | Very low | 25.9 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 91% | 0.912 | 75% | 0.754 | S | S | * | * | -174.7 | 135.1 | 112.3 | -106 | -75.4 | 0 | 0 | 0 | 111.3 | |||||
| 975 | S | 24.9 | Very low | 25.8 | Very low | 90 Ų | 90 | 145 Ų | 145 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -98.5 | 164.4 | -169.3 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 976 | Y | 23 | Very low | 25.7 | Very low | 198 Ų | 198 | 141.7 Ų | 141.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -169.9 | -171.4 | -1.7 | -141.1 | -112.2 | 0 | 0 | 0 | 110.9 | ||||
| 977 | M | 25.1 | Very low | 25.7 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | trans | 86 | 115.5 | 156.6 | -71.9 | -56.8 | 170.7 | 0 | 0 | 121.1 | ||||
| 978 | N | 22.4 | Very low | 25.4 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -63.3 | 144 | 146.6 | -74.6 | -42.9 | 0 | 0 | 0 | 110.6 | ||||
| 979 | T | 25.3 | Very low | 25.3 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -158.2 | 148.9 | 151.4 | -17.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 980 | L | 21 | Very low | 25.1 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -56.1 | 141.9 | 164 | -78 | 47.6 | 0 | 0 | 0 | 110.5 | F982 | L980-F982 HydrophobicContact CB-CB 3.95Å; L980-F982 HydrophobicContact CB-CD2 3.98Å; L980-F982 HydrophobicContact CB-CG 4.38Å; L980-F982 HydrophobicContact CD2-CB 4.26Å; L980-F982 HydrophobicContact CD2-CD2 3.67Å; L980-F982 HydrophobicContact CD2-CE2 4.18Å; L980-F982 HydrophobicContact CD2-CG 4.06Å; L980-F982 HydrophobicContact CG-CD2 4.06Å; L980-F982 PolarHBondContact O-N 3.44Å | ||
| 981 | P | 24.6 | Very low | 24.8 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -75.9 | 46.8 | 158 | 34.3 | -34.8 | 0 | 0 | 0 | 111.4 | M983 | P981-M983 VanDerWaalsContact C-N 3.3Å; P981-M983 PolarHBondContact O-N 3.16Å; P981-M983 VanDerWaalsContact O-N 3.1Å | ||
| 982 | F | 21.3 | Very low | 24.5 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -81.1 | 78.4 | 169.4 | -105.1 | -110.9 | 0 | 0 | 0 | 108.7 | L980 | L980-F982 HydrophobicContact CB-CB 3.95Å; L980-F982 HydrophobicContact CB-CD2 3.98Å; L980-F982 HydrophobicContact CB-CG 4.38Å; L980-F982 HydrophobicContact CD2-CB 4.26Å; L980-F982 HydrophobicContact CD2-CD2 3.67Å; L980-F982 HydrophobicContact CD2-CE2 4.18Å; L980-F982 HydrophobicContact CD2-CG 4.06Å; L980-F982 HydrophobicContact CG-CD2 4.06Å; L980-F982 PolarHBondContact O-N 3.44Å | ||
| 983 | M | 24.8 | Very low | 24.2 | Very low | 173 Ų | 173 | 154.1 Ų | 154.1 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -97.3 | 114.7 | 171.2 | -80 | -167.6 | 166.5 | 0 | 0 | 111 | P981 | P981-M983 VanDerWaalsContact C-N 3.3Å; P981-M983 PolarHBondContact O-N 3.16Å; P981-M983 VanDerWaalsContact O-N 3.1Å | ||
| 984 | M | 23.7 | Very low | 24.1 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | trans | 48.8 | 83.5 | 165.8 | -81.3 | 64.9 | -178.5 | 0 | 0 | 116.5 | ||||
| 985 | N | 22.4 | Very low | 24.1 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 96% | 0.957 | 80% | 0.796 | S | S | * | * | -113.6 | 103.7 | 127.6 | -154.3 | 1.3 | 0 | 0 | 0 | 107.1 | |||||
| 986 | G | 24.3 | Very low | 24.3 | Very low | 62 Ų | 62 | 154.4 Ų | 154.4 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 179.2 | 44.3 | -156.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 987 | I | 24.9 | Very low | 24.5 | Very low | 164 Ų | 164 | 150 Ų | 150 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -112.2 | 108.6 | 161.2 | -63.3 | 178.4 | 0 | 0 | 0 | 107.1 | ||||
| 988 | N | 24.3 | Very low | 24.7 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -148.1 | 56.1 | 170.8 | -142.6 | -9 | 0 | 0 | 0 | 113 | ||||
| 989 | K | 27.2 | Very low | 25 | Very low | 190 Ų | 190 | 144 Ų | 144 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -148.2 | 137.1 | 153.5 | -75.1 | -164.7 | -179.4 | -179.3 | 0 | 107.6 | ||||
| 990 | V | 24.5 | Very low | 25.2 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | cis | -150.1 | 172.7 | -15.2 | 107.6 | 0 | 0 | 0 | 0 | 107.1 | D992 | V990-D992 PolarHBondContact O-N 3.2Š| ||
| 991 | L | 23.2 | Very low | 25.7 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | -23.5 | 128.9 | 175.3 | -74 | 64.8 | 0 | 0 | 0 | 115.4 | ||||
| 992 | D | 23.4 | Very low | 26 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | -145.1 | 115.1 | 112.9 | -137.9 | -14.4 | 0 | 0 | 0 | 110.9 | V990 | V990-D992 PolarHBondContact O-N 3.2Š| |||
| 993 | M | 23.3 | Very low | 26.5 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | trans | -102.5 | 109.2 | 174.3 | -102.8 | -172.8 | 69.7 | 0 | 0 | 109 | ||||
| 994 | K | 26 | Very low | 26.7 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -140.1 | 108.1 | 156 | -93 | -163.1 | 167.9 | -164.2 | 0 | 110.6 | ||||
| 995 | N | 26.5 | Very low | 27 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | -99.7 | 153.8 | 165.3 | -119.9 | 18.3 | 0 | 0 | 0 | 108.8 | ||||
| 996 | Q | 28.3 | Very low | 27.2 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | trans | 67.2 | 149.4 | 160.4 | -63.6 | 166.7 | -84.4 | 0 | 0 | 115.3 | ||||
| 997 | E | 27.1 | Very low | 27.5 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 50% | 0.5 | 70% | 0.704 | S | S | . | * | cis | -161.6 | 175.2 | -7 | -123 | 156.1 | -157.6 | 0 | 0 | 109 | N284 | N284-E997 PolarHBondContact ND2-O 3.48Š| ||
| 998 | I | 30.3 | Very low | 27.7 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 54% | 0.538 | 70% | 0.7 | S | S | . | * | 167.5 | 88.5 | 110.7 | -80.7 | 172.8 | 0 | 0 | 0 | 108.2 | E285 N286 | E285-I998 CarbonylContact C-O 3.57Å; E285-I998 CarbonylContact O-C 3.29Å; N286-I998 PolarHBondContact N-O 3.44Å | |||
| 999 | T | 29.1 | Very low | 27.8 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 48% | 0.479 | 69% | 0.691 | S | S | . | * | 23.9 | 164.8 | 130 | 61.1 | 0 | 0 | 0 | 0 | 122 | N286 | N286-T999 WeakPolarHBondContact CB-O 3.41Š| |||
| 1000 | D | 29.7 | Very low | 27.8 | Very low | 70 Ų | 70 | 125 Ų | 125 | 37% | 0.374 | 69% | 0.687 | S | S | . | * | trans | 144.5 | 156.6 | 134.7 | -76.6 | 4.1 | 0 | 0 | 0 | 111.1 | N286 T287 | N286-D1000 HydrophobicContact CB-CB 4.46Å; N286-D1000 PolarHBondContact ND2-O 3.16Å; T287-D1000 HydrophobicContact CG2-CB 3.65Å; T287-D1000 WeakPolarHBondContact CG2-O 3.13Å | ||
| 1001 | L | 31.4 | Very low | 28 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | cis | -158.5 | 134.3 | -24.3 | -94 | 163.6 | 0 | 0 | 0 | 103.1 | ||||
| 1002 | S | 30.6 | Very low | 28.2 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | 93.9 | 164.3 | 51.3 | -67.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1003 | L | 32.3 | Very low | 28.4 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | trans | 127.7 | 140.2 | 152.6 | -66.9 | 170.4 | 0 | 0 | 0 | 114.6 | ||||
| 1004 | D | 28.7 | Very low | 28.6 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | cis | -171.1 | -177.5 | -28.1 | -149 | -12.2 | 0 | 0 | 0 | 112.5 | ||||
| 1005 | L | 29 | Very low | 28.7 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | trans | 80.7 | 124.9 | 160.4 | -53.9 | 124.8 | 0 | 0 | 0 | 116.9 | ||||
| 1006 | S | 27.7 | Very low | 28.7 | Very low | 95 Ų | 95 | 120.5 Ų | 120.5 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | cis | 105.7 | 148.5 | 25.6 | 77.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1007 | T | 30.5 | Very low | 28.8 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 68% | 0.681 | 68% | 0.681 | S | S | * | * | cis | -158.9 | 155.8 | 34.2 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1008 | T | 28.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | 43.2 | 157.1 | 141.6 | 59.5 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1009 | S | 26.7 | Very low | 28.9 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | cis | -174.3 | 154.3 | -20.1 | -86.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1010 | T | 28 | Very low | 29 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | 55.8 | 111.8 | 145.3 | 53.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 1011 | T | 27.6 | Very low | 28.9 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | 45 | 119.6 | 129.8 | 54 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1012 | I | 28.4 | Very low | 28.8 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | 44.8 | 114.7 | 126.9 | -52.4 | 172.2 | 0 | 0 | 0 | 120.1 | |||||
| 1013 | N | 26.7 | Very low | 28.6 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | -158.2 | 171.5 | 116.7 | -145.1 | -13.5 | 0 | 0 | 0 | 112.2 | |||||
| 1014 | N | 27.1 | Very low | 28.2 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -109.5 | 158.7 | -166.4 | -108.9 | -2.7 | 0 | 0 | 0 | 115.5 | ||||
| 1015 | N | 28.9 | Very low | 28.1 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 78.4 | 109.9 | 151.7 | -64.3 | -1.4 | 0 | 0 | 0 | 122.6 | ||||
| 1016 | N | 27.5 | Very low | 28 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | 98.7 | 151.3 | 118.4 | -69.8 | 7.7 | 0 | 0 | 0 | 123.1 | |||||
| 1017 | I | 30.4 | Very low | 27.9 | Very low | 145 Ų | 145 | 128 Ų | 128 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | trans | 75.6 | 92.5 | 168.6 | -63 | 152.4 | 0 | 0 | 0 | 113.9 | ||||
| 1018 | D | 28.9 | Very low | 27.8 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 83.8 | 125.2 | 62.1 | -66.4 | -40.6 | 0 | 0 | 0 | 113.6 | |||||
| 1019 | N | 30.3 | Very low | 27.8 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | 178.4 | 163.9 | 89.7 | -117.1 | -54.6 | 0 | 0 | 0 | 116.5 | |||||
| 1020 | N | 30.9 | Very low | 27.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | 66.1 | 132.4 | 163.3 | -56.5 | -30.1 | 0 | 0 | 0 | 118.5 | ||||
| 1021 | G | 28 | Very low | 27.8 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | cis | -163.5 | 146.5 | -7.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1022 | V | 28.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | cis | 88.8 | 92.8 | 44.7 | 176.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1023 | T | 26.3 | Very low | 27.8 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | 68.2 | 120.4 | 146.9 | 55.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1024 | M | 23.9 | Very low | 28 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 80% | 0.798 | 70% | 0.704 | S | S | * | * | 84 | 124.5 | 123.9 | -67 | -75.7 | -92.2 | 0 | 0 | 121.8 | |||||
| 1025 | V | 25.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | trans | 75 | 128.8 | 130.2 | 169.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1026 | T | 26.8 | Very low | 28 | Very low | 102 Ų | 102 | 123 Ų | 123 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | cis | -171.2 | 168.6 | -12.3 | 34.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1027 | N | 26.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 122 Ų | 122 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 77.8 | 153.4 | 136.7 | -82.1 | 5.4 | 0 | 0 | 0 | 119 | ||||
| 1028 | S | 28.9 | Very low | 27.8 | Very low | 71 Ų | 71 | 124 Ų | 124 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | cis | -166.9 | 156.5 | 6.5 | -122.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1029 | N | 26.9 | Very low | 27.7 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 68% | 0.684 | 70% | 0.699 | S | S | * | * | trans | 73.2 | 155.1 | 131.8 | -66.9 | 12.8 | 0 | 0 | 0 | 120.3 | ||||
| 1030 | N | 27.8 | Very low | 27.6 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | cis | -166.9 | 167.7 | -5.7 | -117.6 | 3.4 | 0 | 0 | 0 | 115.2 | ||||
| 1031 | N | 28.7 | Very low | 27.4 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | trans | 73.5 | 150.3 | 141.3 | -72.4 | 4.5 | 0 | 0 | 0 | 119.6 | ||||
| 1032 | N | 26.6 | Very low | 27.5 | Very low | 121 Ų | 121 | 128 Ų | 128 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | cis | -163.9 | 166 | 5.1 | -127.7 | -9.4 | 0 | 0 | 0 | 116.6 | ||||
| 1033 | I | 28.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 67% | 0.672 | 68% | 0.679 | S | S | * | * | trans | 85 | 140 | 140.6 | -77.7 | 162.9 | 0 | 0 | 0 | 122.7 | ||||
| 1034 | N | 30.6 | Very low | 27.6 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 67% | 0.67 | S | S | * | * | trans | 68.6 | 144.2 | 172.7 | -64.9 | -20.9 | 0 | 0 | 0 | 117.9 | ||||
| 1035 | G | 28.8 | Very low | 27.8 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | cis | -176.6 | 137.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1036 | N | 27.7 | Very low | 28 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 67% | 0.67 | S | S | * | * | 81 | 134.2 | 92.9 | -107.4 | 57.8 | 0 | 0 | 0 | 116.8 | |||||
| 1037 | D | 28.4 | Very low | 27.9 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | 69.4 | 153.8 | 147.8 | -54.6 | -22.7 | 0 | 0 | 0 | 120 | ||||
| 1038 | Y | 23.9 | Very low | 27.7 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 73% | 0.729 | 67% | 0.673 | S | S | * | * | cis | -172.2 | 174.7 | -29.7 | -117.1 | -55.3 | 0 | 0 | 0 | 109.4 | ||||
| 1039 | K | 27.9 | Very low | 27.5 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | trans | 76.1 | 142.3 | 149.5 | -78.9 | 155.7 | -179.5 | 172.7 | 0 | 119.5 | ||||
| 1040 | Y | 27.5 | Very low | 27.5 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 69% | 0.694 | 69% | 0.691 | S | S | * | * | cis | -168.4 | 152.7 | -12.2 | -127.4 | -160.6 | 0 | 0 | 0 | 112.7 | ||||
| 1041 | N | 26.9 | Very low | 27.4 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | trans | 40.1 | 158.5 | 130.3 | -61.3 | 25.3 | 0 | 0 | 0 | 121.9 | ||||
| 1042 | N | 30.2 | Very low | 27.3 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | cis | -164.5 | 178.8 | -12.1 | -109.6 | 45.9 | 0 | 0 | 0 | 105.9 | ||||
| 1043 | N | 28.2 | Very low | 27.4 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 68% | 0.684 | 72% | 0.718 | S | S | * | * | cis | -137.1 | 159.5 | 4.9 | -121.5 | 58.2 | 0 | 0 | 0 | 105 | ||||
| 1044 | T | 28.3 | Very low | 27.2 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | cis | 81.9 | 118.6 | 24.4 | 71.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1045 | N | 28.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 82.3 | 149.3 | 150.3 | -64.7 | 31.9 | 0 | 0 | 0 | 118.7 | ||||
| 1046 | D | 28.6 | Very low | 26.8 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | -152.8 | -173.7 | -4.2 | -129.9 | -43.9 | 0 | 0 | 0 | 114.9 | ||||
| 1047 | C | 25 | Very low | 26.7 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | -99.3 | 152.5 | -161.7 | -48 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1048 | N | 23.9 | Very low | 26.7 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | 92.2 | 137.8 | 128.7 | -96.8 | -9 | 0 | 0 | 0 | 125.5 | |||||
| 1049 | F | 24.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 77% | 0.768 | 71% | 0.711 | S | S | * | * | trans | 87.2 | 142.5 | 147.7 | -92 | -76.4 | 0 | 0 | 0 | 125 | ||||
| 1050 | D | 25.3 | Very low | 27.3 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | trans | 82 | 153.8 | 162.1 | -75.4 | -30.2 | 0 | 0 | 0 | 123.6 | ||||
| 1051 | I | 26.7 | Very low | 27.6 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -126.1 | 133.2 | -155.4 | -61.9 | 166.7 | 0 | 0 | 0 | 109.9 | ||||
| 1052 | I | 26.5 | Very low | 27.7 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | -162.7 | 166.3 | 144.1 | -109.6 | 156.4 | 0 | 0 | 0 | 112.2 | ||||
| 1053 | K | 28.2 | Very low | 27.7 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | trans | -83.8 | 155.7 | -161.9 | -61.9 | 173.3 | 176.6 | 169.9 | 0 | 115.5 | ||||
| 1054 | N | 24.9 | Very low | 27.7 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 88.4 | 129.6 | 132.6 | -85.8 | 2.1 | 0 | 0 | 0 | 122.4 | ||||
| 1055 | I | 25.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | trans | 92.1 | 110.8 | 133 | -73.2 | 169.9 | 0 | 0 | 0 | 119.4 | ||||
| 1056 | K | 25.2 | Very low | 27.7 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | trans | 88.5 | 112.7 | 142.8 | -83.5 | 179.3 | 178.2 | -175.5 | 0 | 122.6 | ||||
| 1057 | T | 26.4 | Very low | 27.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | 83.1 | 121.2 | 122.9 | 54.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1058 | N | 27.6 | Very low | 27.5 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | 81.4 | 147.1 | 131.3 | -70.3 | 42.3 | 0 | 0 | 0 | 118 | ||||
| 1059 | D | 32.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -155.5 | 163.4 | 7.6 | -138.2 | -36.9 | 0 | 0 | 0 | 115.9 | ||||
| 1060 | T | 32.7 | Very low | 27.7 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 60% | 0.595 | 71% | 0.714 | S | S | * | * | trans | 66.7 | 150.8 | 156.9 | 65.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1061 | K | 33.6 | Very low | 27.7 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | cis | -166.7 | 150.9 | -17 | -105.3 | 167.4 | -173 | 158 | 0 | 105.4 | ||||
| 1062 | N | 29 | Very low | 27.7 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | cis | -142.5 | 175.1 | 11.3 | -81.2 | -30.9 | 0 | 0 | 0 | 106.2 | ||||
| 1063 | C | 29.7 | Very low | 27.7 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | cis | -172.2 | 174.4 | -19.9 | -94.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1064 | I | 28.7 | Very low | 27.6 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 70% | 0.703 | 71% | 0.711 | S | S | * | * | cis | -143.7 | 130.2 | 3.2 | -130.9 | 154.2 | 0 | 0 | 0 | 106 | ||||
| 1065 | L | 29.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 67% | 0.665 | 71% | 0.712 | S | S | * | * | 52.2 | 129.1 | 100 | -48 | -173.2 | 0 | 0 | 0 | 115.2 | |||||
| 1066 | D | 27.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | cis | -157 | 150.3 | -3.9 | -98.3 | -31.8 | 0 | 0 | 0 | 108.7 | ||||
| 1067 | M | 25.7 | Very low | 27.7 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 74% | 0.739 | 70% | 0.699 | S | S | * | * | 71.1 | 140.5 | 59.3 | -63.4 | -73.6 | -178.7 | 0 | 0 | 115 | |||||
| 1068 | R | 25.1 | Very low | 27.6 | Very low | 212 Ų | 212 | 139.5 Ų | 139.5 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | cis | -170.8 | 151.5 | -23.2 | -156.3 | -170 | -176.7 | 159.6 | 1 | 111.9 | ||||
| 1069 | S | 26.5 | Very low | 27.6 | Very low | 82 Ų | 82 | 138.4 Ų | 138.4 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | trans | 73 | 124.9 | 146.3 | -88.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1070 | N | 25.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | 75.8 | 121.1 | 126.8 | -60.2 | 18.8 | 0 | 0 | 0 | 124.4 | |||||
| 1071 | N | 24.8 | Very low | 27.2 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | 56.8 | 107.3 | 137.7 | -59.9 | -3.6 | 0 | 0 | 0 | 122 | ||||
| 1072 | Q | 27 | Very low | 26.8 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | -178.1 | 159.3 | 105.2 | -98.9 | -178.7 | 9 | 0 | 0 | 114 | |||||
| 1073 | L | 27.1 | Very low | 26.8 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | 38.1 | 122.8 | 158.5 | -93.5 | 61.7 | 0 | 0 | 0 | 123.3 | ||||
| 1074 | M | 25.8 | Very low | 26.8 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | 40.3 | 125 | 129.1 | -65.4 | -65.8 | -176.5 | 0 | 0 | 122.2 | |||||
| 1075 | N | 23.6 | Very low | 26.6 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | 45 | 141 | 134.4 | -57.2 | 3.3 | 0 | 0 | 0 | 120.4 | ||||
| 1076 | D | 27.1 | Very low | 26.5 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 57% | 0.572 | 70% | 0.701 | S | S | * | * | cis | -161.8 | 155.4 | 19.4 | -140.4 | -7.1 | 0 | 0 | 0 | 113.3 | ||||
| 1077 | K | 25.8 | Very low | 26.5 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 64% | 0.635 | 71% | 0.709 | S | S | * | * | trans | 48.2 | 130.8 | 145.3 | -78.4 | 165 | -164.9 | 130.7 | 0 | 125.7 | ||||
| 1078 | Y | 25.5 | Very low | 26.5 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | 60.2 | 153.2 | 143.4 | -64.7 | -61.9 | 0 | 0 | 0 | 118.4 | ||||
| 1079 | S | 27.9 | Very low | 26.6 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | cis | -150.3 | 136.9 | 36.4 | -167.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1080 | S | 26.2 | Very low | 26.5 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | 77.4 | 121.1 | 71.7 | -147.1 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1081 | I | 29.9 | Very low | 26.7 | Very low | 167 Ų | 167 | 144 Ų | 144 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | trans | -171.6 | 117.8 | 151.9 | -92.1 | 152.6 | 0 | 0 | 0 | 103.1 | ||||
| 1082 | E | 25.7 | Very low | 26.7 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 48% | 0.481 | 74% | 0.743 | S | S | . | * | cis | 104.7 | 151.7 | 14.5 | -154.9 | -164.4 | -96.9 | 0 | 0 | 113.9 | ||||
| 1083 | Q | 28.8 | Very low | 26.6 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 64% | 0.64 | 73% | 0.73 | S | S | * | * | trans | 76.5 | 136.1 | 173.3 | -54 | -170.2 | 22.7 | 0 | 0 | 114.4 | ||||
| 1084 | Q | 28.9 | Very low | 26.7 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | cis | -157.3 | 168.9 | 0.7 | -106.5 | 161.5 | 35.5 | 0 | 0 | 106.1 | ||||
| 1085 | M | 24.4 | Very low | 26.7 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 58% | 0.576 | 73% | 0.728 | S | S | * | * | cis | 177.1 | 143.5 | -23.9 | -108.5 | -171.1 | -172.9 | 0 | 0 | 106.3 | D1157 | M1085-D1157 WeakPolarHBondContact CE-OD2 3.23Š| ||
| 1086 | I | 28 | Very low | 27 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 64.5 | 147.9 | 141.8 | -60.2 | 172.9 | 0 | 0 | 0 | 120.9 | ||||
| 1087 | N | 27.8 | Very low | 26.9 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -68 | 145.5 | 179 | -61.9 | -45.7 | 0 | 0 | 0 | 114.6 | ||||
| 1088 | S | 25.4 | Very low | 27 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | -162.7 | 156.8 | 123.2 | 49.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 1089 | S | 27.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -97.8 | 133.7 | 179.4 | 49 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1090 | L | 25.1 | Very low | 27 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -172.5 | 157.3 | 136.3 | -104.8 | 163.6 | 0 | 0 | 0 | 112.5 | ||||
| 1091 | Y | 28 | Very low | 27 | Very low | 224 Ų | 224 | 141.6 Ų | 141.6 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | trans | -75.6 | 145.6 | 176.6 | -90.8 | -115.3 | 0 | 0 | 0 | 112 | ||||
| 1092 | S | 25.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -145.7 | 144.5 | 137.5 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1093 | S | 24.8 | Very low | 27 | Very low | 80 Ų | 80 | 148.8 Ų | 148.8 | 56% | 0.559 | 78% | 0.776 | S | S | * | * | trans | -117.6 | 132.1 | -170.2 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1094 | T | 29.8 | Very low | 26.9 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -125.8 | 104.8 | 148.8 | 47.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1095 | N | 25.2 | Very low | 26.9 | Very low | 121 Ų | 121 | 151 Ų | 151 | 65% | 0.647 | 79% | 0.789 | S | S | * | * | 51.9 | 87.1 | 75.6 | -71.8 | -21.4 | 0 | 0 | 0 | 113.4 | |||||
| 1096 | Y | 30.7 | Very low | 27.1 | Very low | 238 Ų | 238 | 155.1 Ų | 155.1 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | -127.9 | 151.4 | 125.5 | -104.4 | -82.2 | 0 | 0 | 0 | 109.8 | |||||
| 1097 | T | 23.6 | Very low | 27.1 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | -124 | -173.5 | -163.5 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1098 | V | 28.7 | Very low | 27.3 | Very low | 126 Ų | 126 | 153 Ų | 153 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | 76 | 98.5 | 173.1 | -170.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1099 | S | 23.6 | Very low | 27.3 | Very low | 98 Ų | 98 | 156.6 Ų | 156.6 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | 66.5 | 116.9 | 61.1 | -169.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1100 | T | 29.8 | Very low | 27.4 | Very low | 138 Ų | 138 | 159.2 Ų | 159.2 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | -173.7 | 162.3 | 111.1 | 24.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 1101 | K | 24.9 | Very low | 27.5 | Very low | 182 Ų | 182 | 154.8 Ų | 154.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 154.6 | 173.6 | -68.1 | 160.7 | 174.1 | 162.2 | 0 | 114.5 | ||||
| 1102 | R | 27.8 | Very low | 28.1 | Very low | 229 Ų | 229 | 149.8 Ų | 149.8 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 89.9 | 146.9 | 137.3 | -85.1 | 164 | 176.6 | -176.7 | -1.6 | 121 | ||||
| 1103 | K | 29.2 | Very low | 28.3 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 75.2 | 112.9 | 160.2 | -72.1 | 175.5 | 177.3 | -177 | 0 | 117.7 | S1105 | K1103-S1105 PolarHBondContact O-N 3.28Š| ||
| 1104 | R | 26.2 | Very low | 28.7 | Very low | 224 Ų | 224 | 154.9 Ų | 154.9 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | trans | -64.3 | 118.2 | 145.8 | -70.7 | 179.7 | 174.6 | 179.6 | -3.5 | 108.9 | ||||
| 1105 | S | 29.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -110.6 | 153.2 | 144.5 | 36.1 | 0 | 0 | 0 | 0 | 107.9 | K1103 | K1103-S1105 PolarHBondContact O-N 3.28Š| ||
| 1106 | R | 28.9 | Very low | 28.7 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -71 | 147.1 | -164.6 | -71.4 | 172.4 | 166.6 | 166.1 | -9.4 | 112.6 | ||||
| 1107 | P | 27.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -70.4 | 150.4 | 164.1 | 32.6 | -34.5 | 0 | 0 | 0 | 110.3 | ||||
| 1108 | V | 30.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 158.3 Ų | 158.3 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -125.3 | 131.9 | 162.1 | 175.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1109 | Y | 25.1 | Very low | 28.7 | Very low | 198 Ų | 198 | 157.4 Ų | 157.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -84.7 | 144.3 | 179.8 | -124.1 | -96.9 | 0 | 0 | 0 | 110.4 | ||||
| 1110 | I | 29.8 | Very low | 28.8 | Very low | 167 Ų | 167 | 157.5 Ų | 157.5 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -163.8 | 146.6 | 138.1 | -98.3 | 149.4 | 0 | 0 | 0 | 106.5 | ||||
| 1111 | S | 27.8 | Very low | 28.7 | Very low | 81 Ų | 81 | 157.4 Ų | 157.4 | 57% | 0.566 | 76% | 0.764 | S | S | * | * | trans | -115.1 | -152.2 | -171 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1112 | P | 39.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 155.6 Ų | 155.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | -121.2 | 180 | -118.7 | 37.6 | -18.6 | 0 | 0 | 0 | 114.5 | |||||
| 1113 | E | 29.7 | Very low | 28.8 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | 154.8 | 151.1 | 160.2 | -90.9 | -173.4 | 167.9 | 0 | 0 | 107.4 | ||||
| 1114 | K | 34.3 | Very low | 28.7 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | cis | -142.5 | 132.9 | -14.8 | -94.7 | 145.1 | 177.5 | 151.9 | 0 | 104.9 | ||||
| 1115 | E | 25 | Very low | 29 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | 75.6 | 140.2 | 72.9 | -143.5 | -163.2 | -138.3 | 0 | 0 | 115.8 | |||||
| 1116 | L | 29.5 | Very low | 29 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | trans | 100.5 | 99.8 | 156.7 | -56 | 167.5 | 0 | 0 | 0 | 122.4 | ||||
| 1117 | K | 29.4 | Very low | 29.1 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | 72.3 | 107.8 | 123.1 | -68.2 | 174.2 | -174.4 | 160.6 | 0 | 123.5 | |||||
| 1118 | R | 26.7 | Very low | 29.4 | Very low | 226 Ų | 226 | 144.9 Ų | 144.9 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | 71.5 | 145.7 | 116.3 | -73 | -172.2 | 169.7 | -167.8 | -3.2 | 123 | |||||
| 1119 | S | 27 | Very low | 29.5 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | 69.2 | 148.2 | 145.8 | 45.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1120 | S | 26.2 | Very low | 29.7 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | cis | -173.7 | 174.5 | -15.3 | -92.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1121 | I | 27.8 | Very low | 29.7 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | trans | 72.7 | 109.6 | 153.1 | -75.9 | 155.4 | 0 | 0 | 0 | 114.8 | ||||
| 1122 | E | 26.2 | Very low | 29.7 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | 82.7 | 155.6 | 79 | -78.5 | 169.8 | -158.7 | 0 | 0 | 113 | |||||
| 1123 | F | 27.3 | Very low | 29.2 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 67% | 0.667 | 72% | 0.72 | S | S | * | * | cis | -161.5 | 167.5 | -2.2 | -124.4 | -38.2 | 0 | 0 | 0 | 112.4 | ||||
| 1124 | N | 28.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | trans | 46.5 | 140.2 | 141.2 | -65.5 | -25.3 | 0 | 0 | 0 | 123.9 | ||||
| 1125 | Q | 32 | Very low | 29.1 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | -173 | 157.7 | 108.5 | -101.4 | 175.2 | 22.5 | 0 | 0 | 110.9 | |||||
| 1126 | S | 29.5 | Very low | 29.3 | Very low | 68 Ų | 68 | 146.9 Ų | 146.9 | 48% | 0.476 | 73% | 0.725 | S | S | . | * | cis | -158.5 | 170.2 | 2.4 | 43.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1127 | F | 31.5 | Very low | 29.2 | Very low | 176 Ų | 176 | 150.7 Ų | 150.7 | 77% | 0.772 | 73% | 0.733 | S | S | * | * | trans | 76.4 | 151 | 170.8 | -41.9 | -61.2 | 0 | 0 | 0 | 116 | ||||
| 1128 | D | 33.4 | Very low | 29.3 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | cis | -165.7 | 167.6 | -24.2 | -95.1 | -18.3 | 0 | 0 | 0 | 106.4 | ||||
| 1129 | G | 32.5 | Very low | 29.5 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -176.2 | -172.9 | 2.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1130 | E | 29.8 | Very low | 29.4 | Very low | 196 Ų | 196 | 146.2 Ų | 146.2 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | trans | -121.5 | 151 | -168.7 | -59.8 | -173.5 | 128.5 | 0 | 0 | 116.5 | ||||
| 1131 | D | 30.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | 138.8 | 152.8 | 111.5 | -156.1 | 14.4 | 0 | 0 | 0 | 117.6 | |||||
| 1132 | M | 27.3 | Very low | 29.7 | Very low | 123 Ų | 123 | 148 Ų | 148 | 61% | 0.606 | 72% | 0.72 | S | S | * | * | trans | 74.7 | 119.7 | 158.5 | -70.6 | -73.2 | 151.5 | 0 | 0 | 124.4 | ||||
| 1133 | K | 29.9 | Very low | 29.8 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | 91.2 | 122 | 128.5 | -77.9 | 166.4 | -177.8 | 143.4 | 0 | 124.2 | |||||
| 1134 | M | 28.6 | Very low | 29.7 | Very low | 135 Ų | 135 | 148 Ų | 148 | 67% | 0.665 | 73% | 0.731 | S | S | * | * | trans | 91.6 | 119.7 | 130.5 | -83.3 | -161.7 | -70 | 0 | 0 | 123.3 | ||||
| 1135 | K | 32.1 | Very low | 29.8 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | trans | 74.5 | 149.9 | 144.4 | -65.8 | 163.9 | 179.8 | 161.1 | 0 | 116.2 | ||||
| 1136 | R | 30.5 | Very low | 29.7 | Very low | 234 Ų | 234 | 144.8 Ų | 144.8 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | cis | -147.2 | 166.7 | 10.8 | -141.6 | 177 | -158.2 | 150 | 0.2 | 112.4 | ||||
| 1137 | Y | 27.1 | Very low | 29.8 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | -104.2 | 161.5 | 179.9 | -94 | -97.4 | 0 | 0 | 0 | 112.9 | ||||
| 1138 | H | 30.9 | Very low | 29.8 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 73% | 0.731 | 73% | 0.734 | S | S | * | * | trans | 66 | 155 | 149.5 | -66.5 | -39.1 | 0 | 0 | 0 | 118.5 | ||||
| 1139 | T | 30.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | cis | -165.2 | 148.6 | -9 | 21.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1140 | E | 26.8 | Very low | 29.7 | Very low | 145 Ų | 145 | 148 Ų | 148 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | trans | 61.1 | 131.3 | 140.5 | -71.1 | -165.4 | 151.3 | 0 | 0 | 125.6 | ||||
| 1141 | K | 29.8 | Very low | 29.7 | Very low | 154 Ų | 154 | 146 Ų | 146 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | 94.4 | 117 | 129.4 | -79.9 | 168 | -174.4 | 149.5 | 0 | 123.4 | |||||
| 1142 | T | 28.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | 84.1 | 129.9 | 132.8 | 50.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1143 | N | 29 | Very low | 29.6 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 80.1 | 101.9 | 145.1 | -61.6 | -5.7 | 0 | 0 | 0 | 121.8 | ||||
| 1144 | L | 25.8 | Very low | 29.4 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | 41.7 | 108.7 | 121.5 | -69.2 | 157.4 | 0 | 0 | 0 | 119.3 | |||||
| 1145 | S | 29.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | 167.6 | 130 | 105.3 | -72.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1146 | I | 29 | Very low | 29.2 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 47.5 | 103.3 | 135.6 | -52.3 | 167.5 | 0 | 0 | 0 | 118.3 | ||||
| 1147 | N | 32 | Very low | 29.3 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | -176.2 | 130.8 | 94.4 | -120.5 | -28.8 | 0 | 0 | 0 | 116 | |||||
| 1148 | N | 31.9 | Very low | 29.5 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | trans | 23.4 | 129.4 | 151.8 | -71.2 | 0.9 | 0 | 0 | 0 | 125.9 | ||||
| 1149 | H | 32.8 | Very low | 29.3 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | 96.8 | 110.4 | 129.7 | -80.5 | -47.9 | 0 | 0 | 0 | 123.6 | |||||
| 1150 | N | 31.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 63% | 0.631 | 71% | 0.705 | S | S | * | * | trans | 85.8 | 111.4 | 130.3 | -61.1 | -10.5 | 0 | 0 | 0 | 121.7 | ||||
| 1151 | N | 29.6 | Very low | 29.3 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 68.6 | 141 | 134.1 | -62.3 | 3.4 | 0 | 0 | 0 | 119 | ||||
| 1152 | S | 27.9 | Very low | 29.3 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -153.4 | 172.6 | 2.2 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1153 | D | 26.8 | Very low | 28.9 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | trans | 82.8 | 134.9 | 150.9 | -56.4 | -47.2 | 0 | 0 | 0 | 123.7 | ||||
| 1154 | S | 27.4 | Very low | 28.8 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 86.5 | 91.9 | 152.5 | 67.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1155 | C | 26.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | trans | 70.5 | 167.1 | 130.3 | -66 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1156 | I | 29.4 | Very low | 28.4 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 82% | 0.821 | 73% | 0.728 | S | S | * | * | trans | 87.7 | 134.4 | 172.1 | -59 | 172 | 0 | 0 | 0 | 117.2 | ||||
| 1157 | D | 32.7 | Very low | 28.1 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | cis | -166 | -177.5 | -45.8 | -130.5 | -62 | 0 | 0 | 0 | 112.9 | M1085 | M1085-D1157 WeakPolarHBondContact CE-OD2 3.23Š| ||
| 1158 | D | 30.6 | Very low | 27.7 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 41% | 0.406 | 72% | 0.722 | S | S | . | * | trans | 82.6 | 100.6 | 145.6 | -112 | 43.3 | 0 | 0 | 0 | 124.7 | ||||
| 1159 | K | 27.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | trans | 54.9 | 110.7 | 130.4 | -61.5 | -176.6 | -169.5 | 78.5 | 0 | 121.8 | ||||
| 1160 | K | 27.7 | Very low | 27.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | 173.8 | 148.3 | 100.7 | -99.9 | 170.9 | -176.7 | 169.3 | 0 | 117.1 | |||||
| 1161 | S | 28.5 | Very low | 27 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | trans | 94.7 | 161.7 | 145.4 | 82.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1162 | C | 29.1 | Very low | 26.8 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -48.8 | 142 | -162.3 | -59.8 | 0 | 0 | 0 | 0 | 121.3 | K1164 | C1162-K1164 PolarHBondContact O-N 2.98Š| ||
| 1163 | W | 22.1 | Very low | 26.8 | Very low | 241 Ų | 241 | 139.2 Ų | 139.2 | 91% | 0.913 | 72% | 0.724 | S | S | * | * | 19.9 | 95.1 | 108.2 | -74.4 | 80.9 | 0 | 0 | 0 | 118.2 | |||||
| 1164 | K | 25.2 | Very low | 26.8 | Very low | 191 Ų | 191 | 140 Ų | 140 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | trans | -178.3 | 132.3 | 141.2 | -103.7 | 171.3 | -178.7 | -176 | 0 | 106.7 | C1162 | C1162-K1164 PolarHBondContact O-N 2.98Š| ||
| 1165 | I | 23.7 | Very low | 27 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 68% | 0.677 | 72% | 0.724 | S | S | * | * | cis | 61.3 | 107.2 | 47.5 | -57.3 | -177.6 | 0 | 0 | 0 | 112.7 | ||||
| 1166 | K | 23.7 | Very low | 27.2 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | trans | 67.4 | 145.1 | 171.8 | -66.2 | 176.9 | -179.3 | 175.9 | 0 | 113.7 | ||||
| 1167 | Q | 23.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | cis | -162.1 | 165.5 | 4.4 | -130 | 169.6 | -10.1 | 0 | 0 | 112.3 | ||||
| 1168 | N | 22.7 | Very low | 27.3 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | trans | 58.2 | 123.8 | 146.4 | -72.3 | 0.1 | 0 | 0 | 0 | 123.1 | ||||
| 1169 | V | 25.3 | Very low | 27.4 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | 43.7 | 113.3 | 117.5 | -172.5 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1170 | Q | 29 | Very low | 27.7 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | -170.6 | 131.4 | 121.4 | -107.2 | 165.1 | -5.7 | 0 | 0 | 113.6 | |||||
| 1171 | N | 27.6 | Very low | 28 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | trans | 59.1 | 149.4 | 135 | -67.8 | 19.5 | 0 | 0 | 0 | 122.1 | ||||
| 1172 | I | 25.2 | Very low | 28.3 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | cis | -171.5 | 158.3 | -25.7 | -131.5 | 165.9 | 0 | 0 | 0 | 108.3 | ||||
| 1173 | S | 27.9 | Very low | 28.7 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | trans | 63.8 | 158.9 | 164.8 | -68.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1174 | E | 27.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | cis | -175.5 | -173.9 | -37.7 | -117.8 | 160.3 | 135.4 | 0 | 0 | 111 | ||||
| 1175 | H | 30.7 | Very low | 29.8 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | 74.2 | 153.3 | 170.2 | -71 | -79 | 0 | 0 | 0 | 116.9 | ||||
| 1176 | V | 30.6 | Very low | 30.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | cis | -134.1 | 179.6 | 13.1 | -133 | 0 | 0 | 0 | 0 | 111.9 | E1178 | V1176-E1178 WeakPolarHBondContact CG1-OE2 3.39Š| ||
| 1177 | I | 33.1 | Very low | 30.9 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | 92.8 | 124.1 | 175.5 | -53.9 | 173.6 | 0 | 0 | 0 | 115.6 | ||||
| 1178 | E | 32.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 137 Ų | 137 | 55% | 0.547 | 69% | 0.694 | S | S | . | * | cis | -169.6 | 164.8 | -47.7 | -122.2 | 66.3 | -78.7 | 0 | 0 | 110.3 | V1176 | V1176-E1178 WeakPolarHBondContact CG1-OE2 3.39Š| ||
| 1179 | E | 31.8 | Very low | 31.6 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | trans | 64.2 | 146.7 | 157.1 | -72.2 | 171.1 | -169 | 0 | 0 | 119.5 | ||||
| 1180 | H | 35.2 | Very low | 32 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 65% | 0.653 | 69% | 0.693 | S | S | * | * | cis | -151.5 | 155.1 | 3.6 | -121.1 | -64.3 | 0 | 0 | 0 | 110.8 | ||||
| 1181 | D | 33.4 | Very low | 32 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | 7.2 | 157 | 149 | -61.5 | -36.3 | 0 | 0 | 0 | 122.7 | ||||
| 1182 | S | 35.1 | Very low | 32.2 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | cis | -164.2 | 168.6 | -10.8 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1183 | D | 37.4 | Very low | 32.3 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | -173 | 143.2 | 75.1 | -93.5 | -18.7 | 0 | 0 | 0 | 114.3 | |||||
| 1184 | E | 35.7 | Very low | 32.4 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | 90.7 | 147.5 | 138.2 | -76.3 | -71.8 | -144 | 0 | 0 | 128.1 | ||||
| 1185 | E | 34.3 | Very low | 32.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 42% | 0.421 | 70% | 0.695 | S | S | . | * | trans | -36.1 | 149.9 | -176.8 | -93.3 | 175.7 | -165.2 | 0 | 0 | 119.3 | R1187 | E1185-R1187 VanDerWaalsContact CD-CD 3.43Å; E1185-R1187 HydrophobicContact CG-CG 3.86Å; E1185-R1187 WeakPolarHBondContact OE1-CD 3.36Å; E1185-R1187 IonicContact OE1-CZ 3.9Å; E1185-R1187 IonicContact OE1-NE 3.56Å; E1185-R1187 IonicContact OE1-NH1 2.79Å; E1185-R1187 PolarHBondContact OE1-NH1 3.21Å | ||
| 1186 | H | 36.5 | Very low | 32 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | -127.5 | 150.1 | 50.8 | -110.8 | -78 | 0 | 0 | 0 | 118.3 | |||||
| 1187 | R | 33.2 | Very low | 31.8 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 63% | 0.634 | 70% | 0.699 | S | S | * | * | trans | -89.9 | 144.7 | -169 | -78.1 | 155.6 | 73.9 | -176.2 | 3.6 | 114 | E1185 | E1185-R1187 VanDerWaalsContact CD-CD 3.43Å; E1185-R1187 HydrophobicContact CG-CG 3.86Å; E1185-R1187 WeakPolarHBondContact OE1-CD 3.36Å; E1185-R1187 IonicContact OE1-CZ 3.9Å; E1185-R1187 IonicContact OE1-NE 3.56Å; E1185-R1187 IonicContact OE1-NH1 2.79Å; E1185-R1187 PolarHBondContact OE1-NH1 3.21Å | ||
| 1188 | L | 32.2 | Very low | 31.4 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | 60.6 | 154.3 | 92.4 | -45.4 | 177 | 0 | 0 | 0 | 114.4 | |||||
| 1189 | T | 30.5 | Very low | 31 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | cis | -169.5 | 176.3 | 3.5 | 3.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1190 | I | 32.4 | Very low | 30.9 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | 75.8 | 147 | 141.2 | -81.3 | 157.2 | 0 | 0 | 0 | 118.5 | ||||
| 1191 | N | 30.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -175 | 150.7 | -39.6 | -128.6 | -20.9 | 0 | 0 | 0 | 109.4 | ||||
| 1192 | Q | 32.1 | Very low | 30.5 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | 65 | 154.4 | 154.9 | -63.9 | 164.2 | 38.6 | 0 | 0 | 117.4 | ||||
| 1193 | S | 27.6 | Very low | 30.3 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | cis | -164.5 | 174.3 | -17.5 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1194 | S | 29.6 | Very low | 30.1 | Very low | 106 Ų | 106 | 123 Ų | 123 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 83.8 | 117.9 | 158.2 | 77.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1195 | S | 26.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | 41 | 121 | 138.4 | 56.1 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1196 | C | 22.2 | Very low | 29.3 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 84.2 | 149.9 | 128.5 | 85.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1197 | S | 26.1 | Very low | 28.9 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 85.6 | 71.1 | 151.4 | -51.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1198 | S | 25.1 | Very low | 28.7 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | 55.7 | 127.4 | 128.7 | 59.4 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1199 | S | 25.6 | Very low | 28.7 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | 69.8 | 137.2 | 159.6 | 70.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1200 | S | 29.1 | Very low | 28.7 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -156.8 | 152.3 | 26.5 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1201 | S | 30.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 61.2 | 142.4 | 164.9 | 68 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1202 | S | 29.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | cis | -145.7 | 150.1 | 12.1 | 57.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1203 | S | 30.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 65 | 135.6 | 150.7 | -58.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1204 | S | 34.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 100.5 | 158.8 | 35.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1205 | M | 26.7 | Very low | 29.8 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -100.9 | 159.1 | 169.3 | -68.4 | 176.4 | 59.6 | 0 | 0 | 112.8 | ||||
| 1206 | S | 26.3 | Very low | 30.4 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | 68.7 | 141.7 | 141.1 | 67.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1207 | L | 28 | Very low | 31.3 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | 64.4 | 162.6 | 175.7 | -77.9 | 69.8 | 0 | 0 | 0 | 115.2 | ||||
| 1208 | T | 28.5 | Very low | 32.1 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 66 | 138.5 | -168.3 | 2.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1209 | R | 31.3 | Very low | 33.5 | Very low | 217 Ų | 217 | 138.6 Ų | 138.6 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -144.2 | 57.5 | 8.8 | -164 | -178.7 | -163.9 | 107.7 | -0.4 | 113.1 | ||
| 1210 | N | 30.9 | Very low | 35.2 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -113.2 | 64.2 | 163.7 | -102.3 | -11.3 | 0 | 0 | 0 | 110.7 | F1212 | N1210-F1212 PolarHBondContact O-N 3.05Š| ||
| 1211 | T | 33.5 | Very low | 37.2 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 44.5 | 177.9 | -38.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1212 | F | 34.1 | Very low | 39.5 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | trans | -145.3 | 149.1 | -171.9 | -134.9 | -114.9 | 0 | 0 | 0 | 110.7 | N1210 Q1214 | N1210-F1212 PolarHBondContact O-N 3.05Å; F1212-Q1214 PolarHBondContact O-N 3.02Å | ||
| 1213 | M | 36.3 | Very low | 42 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 66.7 | 15.7 | 176.5 | -50.7 | -47.5 | -163.9 | 0 | 0 | 119.2 | ||
| 1214 | Q | 33.2 | Very low | 44.6 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 93% | 0.925 | 74% | 0.742 | S | S | * | * | trans | -126.2 | 72.2 | 152.7 | -75.9 | -159 | 6.6 | 0 | 0 | 112.8 | F1212 | F1212-Q1214 PolarHBondContact O-N 3.02Š| ||
| 1215 | S | 38.4 | Very low | 47.1 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | -139.9 | 107.7 | 142.2 | 80 | 0 | 0 | 0 | 0 | 110.3 | S1217 | S1215-S1217 PolarHBondContact O-N 3.43Å; S1215-S1217 VanDerWaalsContact O-N 3.09Å; S1215-S1217 PolarHBondContact OG-OG 3.37Å | ||
| 1216 | K | 38.3 | Very low | 49.9 | Very low | 217 Ų | 217 | 135.8 Ų | 135.8 | 94% | 0.943 | 70% | 0.702 | S | S | * | * | trans | -78.3 | 67.6 | 152.4 | -80.3 | -173.7 | 175.3 | 179.5 | 0 | 107.2 | N1218 | K1216-N1218 PolarHBondContact O-N 3.36Š| ||
| 1217 | S | 41.1 | Very low | 52.9 | Low | 59 Ų | 59 | 134.4 Ų | 134.4 | 41% | 0.413 | 69% | 0.692 | S | S | . | * | trans | -72 | 111.2 | 172.1 | 37.7 | 0 | 0 | 0 | 0 | 107.9 | S1215 N1219 | S1215-S1217 PolarHBondContact O-N 3.43Å; S1215-S1217 VanDerWaalsContact O-N 3.09Å; S1215-S1217 PolarHBondContact OG-OG 3.37Å; S1217-N1219 PolarHBondContact O-N 3Å | ||
| 1218 | N | 44 | Very low | 56 | Low | 155 Ų | 155 | 133.8 Ų | 133.8 | 83% | 0.829 | 68% | 0.68 | S | S | * | * | trans | -69.6 | 71.4 | 159.5 | -77.4 | -10.8 | 0 | 0 | 0 | 107.6 | K1216 T1220 | K1216-N1218 PolarHBondContact O-N 3.36Å; N1218-T1220 PolarHBondContact O-N 3.13Å | ||
| 1219 | N | 53 | Low | 58.9 | Low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | -67.4 | 88.9 | 172.9 | -84.4 | -9 | 0 | 0 | 0 | 107.8 | S1217 V1221 | S1217-N1219 PolarHBondContact O-N 3Å; N1219-V1221 PolarHBondContact O-N 3.44Å | ||
| 1220 | T | 60.9 | Low | 61.7 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 64% | 0.635 | S | S | * | * | trans | -65.2 | 87.1 | 169.4 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | N1218 T1222 | N1218-T1220 PolarHBondContact O-N 3.13Å; T1220-T1222 PolarHBondContact O-N 3.34Å | ||
| 1221 | V | 71 | Confident | 64.6 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | trans | -52.8 | 115 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | N1219 Q1225 L1226 | N1219-V1221 PolarHBondContact O-N 3.44Å; V1221-Q1225 HydrophobicContact CG1-CB 3.91Å; V1221-L1226 HydrophobicContact CG1-CB 4.08Å | ||
| 1222 | T | 80.6 | Confident | 67.3 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | trans | -65.3 | 150.9 | -177.9 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | T1220 N1224 Q1225 L1226 | T1220-T1222 PolarHBondContact O-N 3.34Å; T1222-N1224 PolarHBondContact O-N 3.44Å; T1222-N1224 VanDerWaalsContact O-N 3.08Å; T1222-Q1225 PolarHBondContact O-N 2.98Å; T1222-Q1225 VanDerWaalsContact OG1-CD 3.26Å; T1222-Q1225 VanDerWaalsContact OG1-CG 3.3Å; T1222-Q1225 WeakPolarHBondContact OG1-CG 3.12Å; T1222-Q1225 PolarHBondContact OG1-N 3.02Å; T1222-Q1225 PolarHBondContact OG1-OE1 3.25Å; T1222-L1226 PolarHBondContact O-N 2.86Å | ||
| 1223 | R | 81.3 | Confident | 70 | Confident | 206 Ų | 206 | 110.8 Ų | 110.8 | 78% | 0.777 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -50 | -39.2 | 176.6 | -178.7 | 176.9 | 172.6 | 87.8 | -0.9 | 111.5 | L1226 S1227 | R1223-L1226 PolarHBondContact O-N 3.03Å; R1223-S1227 WeakPolarHBondContact O-CB 3.42Å; R1223-S1227 PolarHBondContact O-N 3.13Å; R1223-S1227 PolarHBondContact O-OG 3.35Å |
| 1224 | N | 84.2 | Confident | 72.4 | Confident | 130 Ų | 130 | 104.1 Ų | 104.1 | 70% | 0.695 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.2 | -41.1 | -179.6 | -61 | 9.4 | 0 | 0 | 0 | 112.3 | T1222 Y1228 | T1222-N1224 PolarHBondContact O-N 3.44Å; T1222-N1224 VanDerWaalsContact O-N 3.08Å; N1224-Y1228 VanDerWaalsContact O-CB 3.3Å; N1224-Y1228 WeakPolarHBondContact O-CB 3.36Å; N1224-Y1228 PolarHBondContact O-N 3.19Å |
| 1225 | Q | 86.5 | Confident | 74.8 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 173.9 | -74.7 | 162 | -43.7 | 0 | 0 | 111.7 | V1221 T1222 Y1228 H1229 | V1221-Q1225 HydrophobicContact CG1-CB 3.91Å; T1222-Q1225 PolarHBondContact O-N 2.98Å; T1222-Q1225 VanDerWaalsContact OG1-CD 3.26Å; T1222-Q1225 VanDerWaalsContact OG1-CG 3.3Å; T1222-Q1225 WeakPolarHBondContact OG1-CG 3.12Å; T1222-Q1225 PolarHBondContact OG1-N 3.02Å; T1222-Q1225 PolarHBondContact OG1-OE1 3.25Å; Q1225-Y1228 PolarHBondContact O-N 3.42Å; Q1225-H1229 PolarHBondContact O-CD2 2.86Å; Q1225-H1229 PolarHBondContact O-N 2.76Å |
| 1226 | L | 86.7 | Confident | 76.8 | Confident | 75 Ų | 75 | 104 Ų | 104 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 175.6 | 178.6 | 60.5 | 0 | 0 | 0 | 111.1 | V1221 T1222 R1223 Y1228 H1229 V1230 L1253 | V1221-L1226 HydrophobicContact CG1-CB 4.08Å; T1222-L1226 PolarHBondContact O-N 2.86Å; R1223-L1226 PolarHBondContact O-N 3.03Å; L1226-Y1228 VanDerWaalsContact C-N 3.31Å; L1226-Y1228 PolarHBondContact O-N 3.23Å; L1226-H1229 PolarHBondContact O-N 3.47Å; L1226-V1230 HydrophobicContact CD1-CG2 4.05Å; L1226-V1230 HydrophobicContact CG-CG2 4.46Å; L1226-V1230 WeakPolarHBondContact O-CB 3.35Å; L1226-V1230 VanDerWaalsContact O-CG2 3.29Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.33Å; L1226-V1230 PolarHBondContact O-N 3.26Å; L1226-L1253 HydrophobicContact CD1-CD1 4.25Å |
| 1227 | S | 89.4 | Confident | 78.9 | Confident | 66 Ų | 66 | 97.6 Ų | 97.6 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 176 | -70.6 | 0 | 0 | 0 | 0 | 112.5 | R1223 A1231 | R1223-S1227 WeakPolarHBondContact O-CB 3.42Å; R1223-S1227 PolarHBondContact O-N 3.13Å; R1223-S1227 PolarHBondContact O-OG 3.35Å; S1227-A1231 WeakPolarHBondContact O-CB 3.3Å; S1227-A1231 PolarHBondContact O-N 3.2Å |
| 1228 | Y | 92.8 | Very high | 80.7 | Confident | 143 Ų | 143 | 102.8 Ų | 102.8 | 56% | 0.561 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -46.9 | 176.7 | 179.6 | -104.6 | 0 | 0 | 0 | 112.3 | N1224 Q1225 L1226 A1231 Q1232 | N1224-Y1228 VanDerWaalsContact O-CB 3.3Å; N1224-Y1228 WeakPolarHBondContact O-CB 3.36Å; N1224-Y1228 PolarHBondContact O-N 3.19Å; Q1225-Y1228 PolarHBondContact O-N 3.42Å; L1226-Y1228 VanDerWaalsContact C-N 3.31Å; L1226-Y1228 PolarHBondContact O-N 3.23Å; Y1228-A1231 PolarHBondContact O-N 3.49Å; Y1228-Q1232 HydrophobicContact CD1-CG 4.46Å; Y1228-Q1232 VanDerWaalsContact CE1-CD 3.48Å; Y1228-Q1232 HydrophobicContact CE1-CG 4.13Å; Y1228-Q1232 VanDerWaalsContact CE1-NE2 3.27Å; Y1228-Q1232 WeakPolarHBondContact O-CG 3.38Å; Y1228-Q1232 PolarHBondContact O-N 2.78Å; Y1228-Q1232 PolarHBondContact OH-NE2 3.33Å; Y1228-Q1232 VanDerWaalsContact OH-NE2 3.15Å |
| 1229 | H | 90.1 | Very high | 82.2 | Confident | 107 Ų | 107 | 99.3 Ų | 99.3 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.7 | -32.1 | 178.2 | -70.6 | -53.1 | 0 | 0 | 0 | 113.2 | Q1225 L1226 Q1232 Y1233 | Q1225-H1229 PolarHBondContact O-CD2 2.86Å; Q1225-H1229 PolarHBondContact O-N 2.76Å; L1226-H1229 PolarHBondContact O-N 3.47Å; H1229-Q1232 PolarHBondContact ND1-OE1 2.78Å; H1229-Q1232 PolarHBondContact O-N 2.92Å; H1229-Y1233 PolarHBondContact O-N 2.95Å |
| 1230 | V | 90.3 | Very high | 83.2 | Confident | 21 Ų | 21 | 96.4 Ų | 96.4 | 13% | 0.127 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | 170.8 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L1226 Y1233 L1234 I1244 | L1226-V1230 HydrophobicContact CD1-CG2 4.05Å; L1226-V1230 HydrophobicContact CG-CG2 4.46Å; L1226-V1230 WeakPolarHBondContact O-CB 3.35Å; L1226-V1230 VanDerWaalsContact O-CG2 3.29Å; L1226-V1230 WeakPolarHBondContact O-CG2 3.33Å; L1226-V1230 PolarHBondContact O-N 3.26Å; V1230-Y1233 WeakPolarHBondContact O-CB 3.45Å; V1230-Y1233 PolarHBondContact O-N 3.28Å; V1230-L1234 WeakPolarHBondContact O-CG 3.36Å; V1230-L1234 PolarHBondContact O-N 3.02Å; V1230-I1244 HydrophobicContact CG1-CD1 3.46Å; V1230-I1244 VanDerWaalsContact CG1-CD1 3.46Å; V1230-I1244 HydrophobicContact CG1-CG1 3.78Å |
| 1231 | A | 91.1 | Very high | 83.9 | Confident | 42 Ų | 42 | 94.7 Ų | 94.7 | 35% | 0.347 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1227 Y1228 Y1233 L1234 I1235 | S1227-A1231 WeakPolarHBondContact O-CB 3.3Å; S1227-A1231 PolarHBondContact O-N 3.2Å; Y1228-A1231 PolarHBondContact O-N 3.49Å; A1231-Y1233 VanDerWaalsContact C-N 3.32Å; A1231-Y1233 PolarHBondContact O-N 3.28Å; A1231-L1234 PolarHBondContact O-N 3.23Å; A1231-I1235 WeakPolarHBondContact O-CB 3.46Å; A1231-I1235 VanDerWaalsContact O-CG1 3.29Å; A1231-I1235 WeakPolarHBondContact O-CG1 3.4Å; A1231-I1235 PolarHBondContact O-N 3.32Å |
| 1232 | Q | 90.7 | Very high | 84.1 | Confident | 61 Ų | 61 | 94.9 Ų | 94.9 | 29% | 0.285 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 172.5 | -74.6 | -172.9 | -34.4 | 0 | 0 | 112.4 | Y1228 H1229 K1236 | Y1228-Q1232 HydrophobicContact CD1-CG 4.46Å; Y1228-Q1232 VanDerWaalsContact CE1-CD 3.48Å; Y1228-Q1232 HydrophobicContact CE1-CG 4.13Å; Y1228-Q1232 VanDerWaalsContact CE1-NE2 3.27Å; Y1228-Q1232 WeakPolarHBondContact O-CG 3.38Å; Y1228-Q1232 PolarHBondContact O-N 2.78Å; Y1228-Q1232 PolarHBondContact OH-NE2 3.33Å; Y1228-Q1232 VanDerWaalsContact OH-NE2 3.15Å; H1229-Q1232 PolarHBondContact ND1-OE1 2.78Å; H1229-Q1232 PolarHBondContact O-N 2.92Å; Q1232-K1236 VanDerWaalsContact O-CB 3.26Å; Q1232-K1236 WeakPolarHBondContact O-CB 3.4Å; Q1232-K1236 WeakPolarHBondContact O-CG 3.33Å; Q1232-K1236 PolarHBondContact O-N 3.45Å |
| 1233 | Y | 89.9 | Confident | 84.1 | Confident | 77 Ų | 77 | 93.1 Ų | 93.1 | 30% | 0.302 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -50.5 | 174.6 | 164.2 | -110.7 | 0 | 0 | 0 | 111.7 | H1229 V1230 A1231 I1235 K1236 D1237 K1239 T1243 F1249 | H1229-Y1233 PolarHBondContact O-N 2.95Å; V1230-Y1233 WeakPolarHBondContact O-CB 3.45Å; V1230-Y1233 PolarHBondContact O-N 3.28Å; A1231-Y1233 VanDerWaalsContact C-N 3.32Å; A1231-Y1233 PolarHBondContact O-N 3.28Å; Y1233-I1235 VanDerWaalsContact C-N 3.33Å; Y1233-I1235 PolarHBondContact O-N 3.47Å; Y1233-K1236 PolarHBondContact O-N 2.71Å; Y1233-D1237 HydrophobicContact CD2-CB 4.2Å; Y1233-D1237 WeakPolarHBondContact CD2-OD2 3.46Å; Y1233-D1237 HydrophobicContact CE2-CB 4.12Å; Y1233-D1237 VanDerWaalsContact CE2-OD2 3.22Å; Y1233-D1237 WeakPolarHBondContact CE2-OD2 3.41Å; Y1233-D1237 WeakPolarHBondContact O-CB 3.48Å; Y1233-D1237 PolarHBondContact O-N 3.14Å; Y1233-K1239 HydrophobicContact CE1-CB 4.49Å; Y1233-K1239 HydrophobicContact CE1-CG 4.27Å; Y1233-K1239 HydrophobicContact CE2-CG 4.34Å; Y1233-T1243 HydrophobicContact CE1-CG2 4.22Å; Y1233-F1249 HydrophobicContact CD1-CE2 4.13Å; Y1233-F1249 HydrophobicContact CD1-CZ 4.46Å; Y1233-F1249 HydrophobicContact CE1-CD2 4.34Å; Y1233-F1249 AromaticContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CZ 4.35Å |
| 1234 | L | 86.6 | Confident | 84 | Confident | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.131 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 178.3 | -66.8 | -176.6 | 0 | 0 | 0 | 112.1 | V1230 A1231 M1238 K1239 P1241 I1244 | V1230-L1234 WeakPolarHBondContact O-CG 3.36Å; V1230-L1234 PolarHBondContact O-N 3.02Å; A1231-L1234 PolarHBondContact O-N 3.23Å; L1234-M1238 WeakPolarHBondContact O-CA 3.46Å; L1234-M1238 PolarHBondContact O-N 3.26Å; L1234-K1239 HydrophobicContact CD2-CB 3.81Å; L1234-K1239 PolarHBondContact O-N 3.05Å; L1234-P1241 HydrophobicContact CD1-CB 4.37Å; L1234-I1244 HydrophobicContact CD1-CD1 3.89Å; L1234-I1244 HydrophobicContact CD1-CG1 4.41Å; L1234-I1244 HydrophobicContact CD2-CG1 4.49Å |
| 1235 | I | 84.1 | Confident | 83.7 | Confident | 129 Ų | 129 | 83.1 Ų | 83.1 | 66% | 0.662 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.5 | -42.5 | -176.4 | -65.5 | 166 | 0 | 0 | 0 | 111.8 | A1231 Y1233 | A1231-I1235 WeakPolarHBondContact O-CB 3.46Å; A1231-I1235 VanDerWaalsContact O-CG1 3.29Å; A1231-I1235 WeakPolarHBondContact O-CG1 3.4Å; A1231-I1235 PolarHBondContact O-N 3.32Å; Y1233-I1235 VanDerWaalsContact C-N 3.33Å; Y1233-I1235 PolarHBondContact O-N 3.47Å |
| 1236 | K | 79.2 | Confident | 83.3 | Confident | 157 Ų | 157 | 79.9 Ų | 79.9 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -74.9 | -39.8 | -176.9 | -75.1 | -174.4 | 170.3 | -169.2 | 0 | 113.4 | Q1232 Y1233 M1238 | Q1232-K1236 VanDerWaalsContact O-CB 3.26Å; Q1232-K1236 WeakPolarHBondContact O-CB 3.4Å; Q1232-K1236 WeakPolarHBondContact O-CG 3.33Å; Q1232-K1236 PolarHBondContact O-N 3.45Å; Y1233-K1236 PolarHBondContact O-N 2.71Å; K1236-M1238 VanDerWaalsContact C-N 3.29Å |
| 1237 | D | 82.5 | Confident | 82.9 | Confident | 83 Ų | 83 | 79.9 Ų | 79.9 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.8 | -174.7 | -63.9 | 15 | 0 | 0 | 0 | 111.5 | Y1233 K1239 | Y1233-D1237 HydrophobicContact CD2-CB 4.2Å; Y1233-D1237 WeakPolarHBondContact CD2-OD2 3.46Å; Y1233-D1237 HydrophobicContact CE2-CB 4.12Å; Y1233-D1237 VanDerWaalsContact CE2-OD2 3.22Å; Y1233-D1237 WeakPolarHBondContact CE2-OD2 3.41Å; Y1233-D1237 WeakPolarHBondContact O-CB 3.48Å; Y1233-D1237 PolarHBondContact O-N 3.14Å; D1237-K1239 VanDerWaalsContact C-N 3.32Å; D1237-K1239 HydrophobicContact CB-CG 3.88Å; D1237-K1239 WeakPolarHBondContact O-CE 3.26Å; D1237-K1239 PolarHBondContact O-N 3.13Å; D1237-K1239 PolarHBondContact O-NZ 3.47Å |
| 1238 | M | 79.7 | Confident | 82.6 | Confident | 167 Ų | 167 | 79.5 Ų | 79.5 | 82% | 0.823 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 50.9 | -175.7 | -67.2 | -65.5 | -147.8 | 0 | 0 | 112.3 | L1234 K1236 | L1234-M1238 WeakPolarHBondContact O-CA 3.46Å; L1234-M1238 PolarHBondContact O-N 3.26Å; K1236-M1238 VanDerWaalsContact C-N 3.29Å |
| 1239 | K | 75.6 | Confident | 82.2 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 36% | 0.357 | 41% | 0.412 | S | S | . | . | trans | -98.3 | 133.9 | -178.8 | -58.8 | -63.8 | 174.7 | -110.1 | 0 | 111 | Y1233 L1234 D1237 | Y1233-K1239 HydrophobicContact CE1-CB 4.49Å; Y1233-K1239 HydrophobicContact CE1-CG 4.27Å; Y1233-K1239 HydrophobicContact CE2-CG 4.34Å; L1234-K1239 HydrophobicContact CD2-CB 3.81Å; L1234-K1239 PolarHBondContact O-N 3.05Å; D1237-K1239 VanDerWaalsContact C-N 3.32Å; D1237-K1239 HydrophobicContact CB-CG 3.88Å; D1237-K1239 WeakPolarHBondContact O-CE 3.26Å; D1237-K1239 PolarHBondContact O-N 3.13Å; D1237-K1239 PolarHBondContact O-NZ 3.47Å | ||
| 1240 | P | 74.6 | Confident | 82 | Confident | 69 Ų | 69 | 74 Ų | 74 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | trans | -69.3 | 144 | 179.9 | 32.9 | -37.7 | 0 | 0 | 0 | 109.8 | E1242 T1243 | P1240-E1242 WeakPolarHBondContact CB-OE2 3.35Å; P1240-E1242 PolarHBondContact O-N 2.88Å; P1240-T1243 VanDerWaalsContact O-CB 3.22Å; P1240-T1243 WeakPolarHBondContact O-CB 3.42Å; P1240-T1243 PolarHBondContact O-N 2.85Å; P1240-T1243 PolarHBondContact O-OG1 3.4Å | ||
| 1241 | P | 75.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 57% | 0.571 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -53.8 | -31.1 | -173 | -28.2 | 35.9 | 0 | 0 | 0 | 115.2 | L1234 T1243 I1244 | L1234-P1241 HydrophobicContact CD1-CB 4.37Å; P1241-T1243 PolarHBondContact O-N 2.67Å; P1241-I1244 PolarHBondContact O-N 2.91Å; P1241-I1244 VanDerWaalsContact O-N 3.13Å |
| 1242 | E | 75.9 | Confident | 81.3 | Confident | 95 Ų | 95 | 80.2 Ų | 80.2 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -57.5 | -18.8 | 176 | -59 | 78.8 | -177.1 | 0 | 0 | 112.7 | P1240 I1244 G1245 G1246 | P1240-E1242 WeakPolarHBondContact CB-OE2 3.35Å; P1240-E1242 PolarHBondContact O-N 2.88Å; E1242-I1244 PolarHBondContact O-N 3.37Å; E1242-G1245 CarbonylContact O-C 3.58Å; E1242-G1245 VanDerWaalsContact O-CA 3.24Å; E1242-G1245 WeakPolarHBondContact O-CA 3.4Å; E1242-G1245 PolarHBondContact O-N 3.33Å; E1242-G1246 PolarHBondContact O-N 3.35Å |
| 1243 | T | 79.2 | Confident | 81 | Confident | 34 Ų | 34 | 80.7 Ų | 80.7 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -53.8 | -36.6 | 172.7 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | Y1233 P1240 P1241 G1245 G1246 F1249 | Y1233-T1243 HydrophobicContact CE1-CG2 4.22Å; P1240-T1243 VanDerWaalsContact O-CB 3.22Å; P1240-T1243 WeakPolarHBondContact O-CB 3.42Å; P1240-T1243 PolarHBondContact O-N 2.85Å; P1240-T1243 PolarHBondContact O-OG1 3.4Å; P1241-T1243 PolarHBondContact O-N 2.67Å; T1243-G1245 PolarHBondContact O-N 2.97Å; T1243-G1246 PolarHBondContact O-N 2.92Å; T1243-G1246 VanDerWaalsContact O-N 3.12Å; T1243-F1249 HydrophobicContact CG2-CD2 4.28Å; T1243-F1249 WeakPolarHBondContact O-CB 3.45Å |
| 1244 | I | 80.7 | Confident | 80.5 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -65.2 | -28.9 | 175.8 | -53.6 | 171.6 | 0 | 0 | 0 | 111 | V1230 L1234 P1241 E1242 G1246 F1249 | V1230-I1244 HydrophobicContact CG1-CD1 3.46Å; V1230-I1244 VanDerWaalsContact CG1-CD1 3.46Å; V1230-I1244 HydrophobicContact CG1-CG1 3.78Å; L1234-I1244 HydrophobicContact CD1-CD1 3.89Å; L1234-I1244 HydrophobicContact CD1-CG1 4.41Å; L1234-I1244 HydrophobicContact CD2-CG1 4.49Å; P1241-I1244 PolarHBondContact O-N 2.91Å; P1241-I1244 VanDerWaalsContact O-N 3.13Å; E1242-I1244 PolarHBondContact O-N 3.37Å; I1244-G1246 VanDerWaalsContact C-N 3.3Å; I1244-G1246 PolarHBondContact O-N 2.71Å; I1244-F1249 HydrophobicContact CG1-CE1 4.45Å; I1244-F1249 HydrophobicContact CG2-CE1 4.4Å |
| 1245 | G | 76.1 | Confident | 80.1 | Confident | 49 Ų | 49 | 85.6 Ų | 85.6 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -74.9 | -7.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | E1242 T1243 R1250 | E1242-G1245 CarbonylContact O-C 3.58Å; E1242-G1245 VanDerWaalsContact O-CA 3.24Å; E1242-G1245 WeakPolarHBondContact O-CA 3.4Å; E1242-G1245 PolarHBondContact O-N 3.33Å; T1243-G1245 PolarHBondContact O-N 2.97Å; G1245-R1250 PolarHBondContact O-NH1 2.9Å |
| 1246 | G | 79.3 | Confident | 79.6 | Confident | 31 Ų | 31 | 84.8 Ų | 84.8 | 32% | 0.32 | 46% | 0.461 | S | S | . | . | trans | -73.3 | 135.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1242 T1243 I1244 G1248 F1249 R1250 | E1242-G1246 PolarHBondContact O-N 3.35Å; T1243-G1246 PolarHBondContact O-N 2.92Å; T1243-G1246 VanDerWaalsContact O-N 3.12Å; I1244-G1246 VanDerWaalsContact C-N 3.3Å; I1244-G1246 PolarHBondContact O-N 2.71Å; G1246-G1248 VanDerWaalsContact C-N 3.31Å; G1246-G1248 PolarHBondContact O-N 3.33Å; G1246-F1249 PolarHBondContact O-N 3.1Å; G1246-R1250 PolarHBondContact O-N 2.94Å; G1246-R1250 VanDerWaalsContact O-N 3.1Å | ||
| 1247 | E | 78.6 | Confident | 78.7 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.2 | -175.8 | 172.9 | 147 | 0 | 0 | 111.6 | F1249 R1250 K1251 W1867 K1871 | E1247-F1249 PolarHBondContact O-N 3.07Å; E1247-R1250 PolarHBondContact O-N 2.73Å; E1247-K1251 WeakPolarHBondContact O-CB 3.3Å; E1247-K1251 PolarHBondContact O-N 2.91Å; E1247-W1867 WeakPolarHBondContact OE1-CH2 3.13Å; E1247-W1867 WeakPolarHBondContact OE1-CZ3 3.24Å; E1247-K1871 WeakPolarHBondContact OE1-CE 3.29Å; E1247-K1871 IonicContact OE1-NZ 3.74Å; E1247-K1871 PolarHBondContact OE1-NZ 2.78Å |
| 1248 | G | 82 | Confident | 77.7 | Confident | 57 Ų | 57 | 86.2 Ų | 86.2 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.7 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1246 K1251 L1252 | G1246-G1248 VanDerWaalsContact C-N 3.31Å; G1246-G1248 PolarHBondContact O-N 3.33Å; G1248-K1251 PolarHBondContact O-N 3.44Å; G1248-L1252 WeakPolarHBondContact O-CB 3.44Å; G1248-L1252 PolarHBondContact O-N 3.41Å |
| 1249 | F | 85.3 | Confident | 77.1 | Confident | 39 Ų | 39 | 85 Ų | 85 | 17% | 0.171 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.9 | -177.4 | -95.4 | 0 | 0 | 0 | 111.7 | Y1233 T1243 I1244 G1246 E1247 L1252 L1253 | Y1233-F1249 HydrophobicContact CD1-CE2 4.13Å; Y1233-F1249 HydrophobicContact CD1-CZ 4.46Å; Y1233-F1249 HydrophobicContact CE1-CD2 4.34Å; Y1233-F1249 AromaticContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CE2 3.64Å; Y1233-F1249 HydrophobicContact CE1-CZ 4.35Å; T1243-F1249 HydrophobicContact CG2-CD2 4.28Å; T1243-F1249 WeakPolarHBondContact O-CB 3.45Å; I1244-F1249 HydrophobicContact CG1-CE1 4.45Å; I1244-F1249 HydrophobicContact CG2-CE1 4.4Å; G1246-F1249 PolarHBondContact O-N 3.1Å; E1247-F1249 PolarHBondContact O-N 3.07Å; F1249-L1252 PolarHBondContact O-N 3.32Å; F1249-L1253 HydrophobicContact CE1-CD2 4.34Å; F1249-L1253 WeakPolarHBondContact O-CB 3.41Å; F1249-L1253 PolarHBondContact O-N 2.82Å |
| 1250 | R | 84.6 | Confident | 77.1 | Confident | 96 Ų | 96 | 89.5 Ų | 89.5 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 174 | -69.7 | -168.8 | -63.7 | -87.8 | -0.4 | 112.7 | G1245 G1246 E1247 L1253 S1254 | G1245-R1250 PolarHBondContact O-NH1 2.9Å; G1246-R1250 PolarHBondContact O-N 2.94Å; G1246-R1250 VanDerWaalsContact O-N 3.1Å; E1247-R1250 PolarHBondContact O-N 2.73Å; R1250-L1253 PolarHBondContact O-N 3.48Å; R1250-S1254 PolarHBondContact O-N 3.25Å |
| 1251 | K | 82.8 | Confident | 77.3 | Confident | 102 Ų | 102 | 91.8 Ų | 91.8 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.3 | -167.7 | 178.9 | -179.1 | -174.5 | 0 | 110.1 | E1247 G1248 S1254 L1255 | E1247-K1251 WeakPolarHBondContact O-CB 3.3Å; E1247-K1251 PolarHBondContact O-N 2.91Å; G1248-K1251 PolarHBondContact O-N 3.44Å; K1251-S1254 PolarHBondContact O-N 3.09Å; K1251-S1254 PolarHBondContact O-OG 2.85Å; K1251-L1255 WeakPolarHBondContact O-CG 3.47Å |
| 1252 | L | 85.2 | Confident | 77.8 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.1 | 179.5 | 63.8 | 0 | 0 | 0 | 112.2 | G1248 F1249 S1254 L1255 F1256 | G1248-L1252 WeakPolarHBondContact O-CB 3.44Å; G1248-L1252 PolarHBondContact O-N 3.41Å; F1249-L1252 PolarHBondContact O-N 3.32Å; L1252-S1254 PolarHBondContact O-N 3.49Å; L1252-L1255 PolarHBondContact O-N 3.31Å; L1252-F1256 HydrophobicContact CD1-CE2 4.03Å; L1252-F1256 HydrophobicContact CD1-CZ 4.04Å; L1252-F1256 HydrophobicContact CD2-CE2 4.12Å; L1252-F1256 HydrophobicContact CD2-CZ 4.41Å; L1252-F1256 HydrophobicContact CG-CD2 4.4Å; L1252-F1256 HydrophobicContact CG-CE2 3.68Å; L1252-F1256 HydrophobicContact CG-CZ 4.14Å |
| 1253 | L | 83.3 | Confident | 78.2 | Confident | 72 Ų | 72 | 90 Ų | 90 | 38% | 0.377 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -32 | 179.8 | -172.2 | 61.1 | 0 | 0 | 0 | 112.6 | L1226 F1249 R1250 L1255 F1256 | L1226-L1253 HydrophobicContact CD1-CD1 4.25Å; F1249-L1253 HydrophobicContact CE1-CD2 4.34Å; F1249-L1253 WeakPolarHBondContact O-CB 3.41Å; F1249-L1253 PolarHBondContact O-N 2.82Å; R1250-L1253 PolarHBondContact O-N 3.48Å; L1253-L1255 PolarHBondContact O-N 2.7Å; L1253-F1256 HydrophobicContact CD1-CD2 4.48Å |
| 1254 | S | 80.5 | Confident | 78.2 | Confident | 93 Ų | 93 | 95.5 Ų | 95.5 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.2 | 174.9 | 76.5 | 0 | 0 | 0 | 0 | 115 | R1250 K1251 L1252 | R1250-S1254 PolarHBondContact O-N 3.25Å; K1251-S1254 PolarHBondContact O-N 3.09Å; K1251-S1254 PolarHBondContact O-OG 2.85Å; L1252-S1254 PolarHBondContact O-N 3.49Å |
| 1255 | L | 78.8 | Confident | 78.3 | Confident | 112 Ų | 112 | 98 Ų | 98 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -3.7 | -176.8 | -65.7 | 169.9 | 0 | 0 | 0 | 113.8 | K1251 L1252 L1253 T1257 | K1251-L1255 WeakPolarHBondContact O-CG 3.47Å; L1252-L1255 PolarHBondContact O-N 3.31Å; L1253-L1255 PolarHBondContact O-N 2.7Å; L1255-T1257 PolarHBondContact O-N 2.63Å |
| 1256 | F | 73.3 | Confident | 78.8 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | trans | -76.5 | 86.8 | -175.8 | -88.9 | -56.1 | 0 | 0 | 0 | 113.4 | L1252 L1253 L1261 | L1252-F1256 HydrophobicContact CD1-CE2 4.03Å; L1252-F1256 HydrophobicContact CD1-CZ 4.04Å; L1252-F1256 HydrophobicContact CD2-CE2 4.12Å; L1252-F1256 HydrophobicContact CD2-CZ 4.41Å; L1252-F1256 HydrophobicContact CG-CD2 4.4Å; L1252-F1256 HydrophobicContact CG-CE2 3.68Å; L1252-F1256 HydrophobicContact CG-CZ 4.14Å; L1253-F1256 HydrophobicContact CD1-CD2 4.48Å; F1256-L1261 HydrophobicContact CE1-CD2 3.63Å; F1256-L1261 HydrophobicContact CZ-CD2 3.79Å | ||
| 1257 | T | 60.1 | Low | 79.1 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -124 | 80 | 173.9 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | L1255 H1259 | L1255-T1257 PolarHBondContact O-N 2.63Å; T1257-H1259 PolarHBondContact O-CD2 3.33Å; T1257-H1259 PolarHBondContact O-N 3.08Å; T1257-H1259 PolarHBondContact O-NE2 3.03Å; T1257-H1259 PolarHBondContact OG1-CD2 3.35Å; T1257-H1259 PolarHBondContact OG1-NE2 2.88Å |
| 1258 | N | 61.1 | Low | 79.3 | Confident | 177 Ų | 177 | 98 Ų | 98 | 95% | 0.947 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 53.8 | 17.4 | 173.3 | -66.4 | -1.9 | 0 | 0 | 0 | 117 | ||
| 1259 | H | 66.7 | Low | 79.5 | Confident | 141 Ų | 141 | 101 Ų | 101 | 65% | 0.653 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 147.6 | 175.3 | -64.9 | -65.2 | 0 | 0 | 0 | 111.7 | T1257 | T1257-H1259 PolarHBondContact O-CD2 3.33Å; T1257-H1259 PolarHBondContact O-N 3.08Å; T1257-H1259 PolarHBondContact O-NE2 3.03Å; T1257-H1259 PolarHBondContact OG1-CD2 3.35Å; T1257-H1259 PolarHBondContact OG1-NE2 2.88Å |
| 1260 | K | 75.5 | Confident | 79.7 | Confident | 177 Ų | 177 | 103.2 Ų | 103.2 | 77% | 0.77 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 133.7 | 170.9 | -173.4 | -163.9 | 171.8 | -156.3 | 0 | 108.9 | ||
| 1261 | L | 80 | Confident | 80 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 136.5 | 172.7 | -76.2 | 165.9 | 0 | 0 | 0 | 110.9 | F1256 | F1256-L1261 HydrophobicContact CE1-CD2 3.63Å; F1256-L1261 HydrophobicContact CZ-CD2 3.79Å |
| 1262 | P | 84 | Confident | 80.2 | Confident | 79 Ų | 79 | 99.4 Ų | 99.4 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 150.7 | 167.5 | 31.3 | -34.5 | 0 | 0 | 0 | 110.6 | I1267 | P1262-I1267 HydrophobicContact CB-CG1 4.27Å; P1262-I1267 HydrophobicContact CG-CD1 4.18Å; P1262-I1267 HydrophobicContact CG-CG1 4.29Å |
| 1263 | T | 85.3 | Confident | 80.5 | Confident | 68 Ų | 68 | 97.3 Ų | 97.3 | 42% | 0.417 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 162.2 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | K1265 E1266 I1267 | T1263-K1265 PolarHBondContact O-N 2.87Å; T1263-E1266 VanDerWaalsContact CB-OE2 3.29Å; T1263-E1266 WeakPolarHBondContact CB-OE2 3.36Å; T1263-E1266 WeakPolarHBondContact CG2-OE2 3.17Å; T1263-E1266 PolarHBondContact N-OE2 3.41Å; T1263-E1266 PolarHBondContact O-N 3.44Å; T1263-E1266 VanDerWaalsContact OG1-CD 3.29Å; T1263-E1266 WeakPolarHBondContact OG1-CG 3.44Å; T1263-E1266 PolarHBondContact OG1-N 3.18Å; T1263-E1266 PolarHBondContact OG1-OE2 2.87Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.32Å; T1263-I1267 PolarHBondContact O-N 2.89Å; T1263-I1267 VanDerWaalsContact O-N 3.09Å |
| 1264 | I | 80.1 | Confident | 80.9 | Confident | 148 Ų | 148 | 100 Ų | 100 | 76% | 0.759 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -53.8 | -41.5 | 174 | -60.4 | 173.9 | 0 | 0 | 0 | 110.7 | I1267 S1268 | I1264-I1267 PolarHBondContact O-N 2.9Å; I1264-S1268 PolarHBondContact O-N 3.33Å; I1264-S1268 PolarHBondContact O-OG 3.32Å |
| 1265 | K | 82.2 | Confident | 81.3 | Confident | 130 Ų | 130 | 98 Ų | 98 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | -179.2 | -167.4 | 174.4 | -176.9 | 173.3 | 0 | 112.8 | T1263 I1267 S1268 E1269 | T1263-K1265 PolarHBondContact O-N 2.87Å; K1265-I1267 PolarHBondContact O-N 2.9Å; K1265-S1268 PolarHBondContact O-N 3.39Å; K1265-E1269 WeakPolarHBondContact CE-OE1 3.24Å; K1265-E1269 WeakPolarHBondContact CE-OE2 3.07Å; K1265-E1269 HydrophobicContact CG-CG 4.27Å; K1265-E1269 IonicContact NZ-OE1 3.8Å; K1265-E1269 IonicContact NZ-OE2 3.29Å; K1265-E1269 WeakPolarHBondContact O-CB 3.47Å; K1265-E1269 PolarHBondContact O-N 2.99Å |
| 1266 | E | 86.6 | Confident | 81.9 | Confident | 74 Ų | 74 | 94.1 Ų | 94.1 | 35% | 0.346 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -29.9 | 174.6 | -71 | 158.4 | 138.3 | 0 | 0 | 111.8 | T1263 I1270 T1271 | T1263-E1266 VanDerWaalsContact CB-OE2 3.29Å; T1263-E1266 WeakPolarHBondContact CB-OE2 3.36Å; T1263-E1266 WeakPolarHBondContact CG2-OE2 3.17Å; T1263-E1266 PolarHBondContact N-OE2 3.41Å; T1263-E1266 PolarHBondContact O-N 3.44Å; T1263-E1266 VanDerWaalsContact OG1-CD 3.29Å; T1263-E1266 WeakPolarHBondContact OG1-CG 3.44Å; T1263-E1266 PolarHBondContact OG1-N 3.18Å; T1263-E1266 PolarHBondContact OG1-OE2 2.87Å; E1266-I1270 WeakPolarHBondContact O-CB 3.21Å; E1266-T1271 PolarHBondContact O-N 3.21Å; E1266-T1271 PolarHBondContact O-OG1 2.93Å |
| 1267 | I | 86.1 | Confident | 82.8 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 30% | 0.303 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -73.8 | -51.8 | 173.5 | -64.9 | 171.3 | 0 | 0 | 0 | 111.2 | P1262 T1263 I1264 K1265 T1271 F1272 | P1262-I1267 HydrophobicContact CB-CG1 4.27Å; P1262-I1267 HydrophobicContact CG-CD1 4.18Å; P1262-I1267 HydrophobicContact CG-CG1 4.29Å; T1263-I1267 WeakPolarHBondContact O-CG1 3.32Å; T1263-I1267 PolarHBondContact O-N 2.89Å; T1263-I1267 VanDerWaalsContact O-N 3.09Å; I1264-I1267 PolarHBondContact O-N 2.9Å; K1265-I1267 PolarHBondContact O-N 2.9Å; I1267-T1271 WeakPolarHBondContact O-CB 3.2Å; I1267-T1271 PolarHBondContact O-N 3.47Å; I1267-F1272 HydrophobicContact CG2-CD1 3.96Å; I1267-F1272 HydrophobicContact CG2-CD2 4.31Å; I1267-F1272 HydrophobicContact CG2-CE1 3.51Å; I1267-F1272 HydrophobicContact CG2-CE2 3.91Å; I1267-F1272 HydrophobicContact CG2-CG 4.35Å; I1267-F1272 HydrophobicContact CG2-CZ 3.48Å; I1267-F1272 VanDerWaalsContact CG2-CZ 3.48Å; I1267-F1272 WeakPolarHBondContact O-CG 3.41Å; I1267-F1272 PolarHBondContact O-N 2.98Å |
| 1268 | S | 82 | Confident | 84.4 | Confident | 23 Ų | 23 | 93.1 Ų | 93.1 | 16% | 0.161 | 47% | 0.473 | C | S | . | . | I | π-helix | trans | -76.4 | -38.2 | -171.5 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | I1264 K1265 P1273 | I1264-S1268 PolarHBondContact O-N 3.33Å; I1264-S1268 PolarHBondContact O-OG 3.32Å; K1265-S1268 PolarHBondContact O-N 3.39Å; S1268-P1273 WeakPolarHBondContact O-CD 3.47Å |
| 1269 | E | 86.5 | Confident | 85.8 | Confident | 119 Ų | 119 | 84.7 Ų | 84.7 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | I | π-helix | trans | -95.6 | -15.2 | -173.3 | -65.8 | 179.1 | -162 | 0 | 0 | 113.8 | K1265 | K1265-E1269 WeakPolarHBondContact CE-OE1 3.24Å; K1265-E1269 WeakPolarHBondContact CE-OE2 3.07Å; K1265-E1269 HydrophobicContact CG-CG 4.27Å; K1265-E1269 IonicContact NZ-OE1 3.8Å; K1265-E1269 IonicContact NZ-OE2 3.29Å; K1265-E1269 WeakPolarHBondContact O-CB 3.47Å; K1265-E1269 PolarHBondContact O-N 2.99Å |
| 1270 | I | 89.5 | Confident | 87.1 | Confident | 85 Ų | 85 | 79.8 Ų | 79.8 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -125.1 | -62.3 | -177.5 | -50.4 | 174.8 | 0 | 0 | 0 | 110.3 | E1266 F1272 P1273 E1274 | E1266-I1270 WeakPolarHBondContact O-CB 3.21Å; I1270-F1272 PolarHBondContact O-N 3.39Å; I1270-P1273 WeakPolarHBondContact O-CD 3.01Å; I1270-E1274 HydrophobicContact CG2-CG 4.43Å; I1270-E1274 WeakPolarHBondContact O-CB 3.25Å; I1270-E1274 WeakPolarHBondContact O-CG 3.48Å; I1270-E1274 PolarHBondContact O-N 2.95Å |
| 1271 | T | 89.6 | Confident | 87.8 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | I | π-helix | trans | -64.5 | -42.7 | -170.5 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | E1266 I1267 L1275 | E1266-T1271 PolarHBondContact O-N 3.21Å; E1266-T1271 PolarHBondContact O-OG1 2.93Å; I1267-T1271 WeakPolarHBondContact O-CB 3.2Å; I1267-T1271 PolarHBondContact O-N 3.47Å; T1271-L1275 VanDerWaalsContact O-CB 3.23Å; T1271-L1275 WeakPolarHBondContact O-CB 3.31Å; T1271-L1275 PolarHBondContact O-N 3.27Å; T1271-L1275 VanDerWaalsContact O-N 3.13Å |
| 1272 | F | 88.2 | Confident | 88.3 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 23% | 0.228 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.6 | -46.9 | 177.7 | -69.7 | -15.3 | 0 | 0 | 0 | 112.8 | I1267 I1270 L1275 Y1276 M1859 Y1860 L1863 | I1267-F1272 HydrophobicContact CG2-CD1 3.96Å; I1267-F1272 HydrophobicContact CG2-CD2 4.31Å; I1267-F1272 HydrophobicContact CG2-CE1 3.51Å; I1267-F1272 HydrophobicContact CG2-CE2 3.91Å; I1267-F1272 HydrophobicContact CG2-CG 4.35Å; I1267-F1272 HydrophobicContact CG2-CZ 3.48Å; I1267-F1272 VanDerWaalsContact CG2-CZ 3.48Å; I1267-F1272 WeakPolarHBondContact O-CG 3.41Å; I1267-F1272 PolarHBondContact O-N 2.98Å; I1270-F1272 PolarHBondContact O-N 3.39Å; F1272-L1275 PolarHBondContact O-N 2.91Å; F1272-Y1276 WeakPolarHBondContact O-CB 3.48Å; F1272-Y1276 PolarHBondContact O-N 3.15Å; F1272-M1859 HydrophobicContact CB-CE 3.57Å; F1272-M1859 HydrophobicContact CB-CG 4.16Å; F1272-M1859 HydrophobicContact CB-SD 3.7Å; F1272-M1859 HydrophobicContact CD2-CE 4.37Å; F1272-Y1860 HydrophobicContact CZ-CD2 4.42Å; F1272-L1863 HydrophobicContact CB-CD1 4.02Å; F1272-L1863 HydrophobicContact CD1-CD1 3.94Å; F1272-L1863 HydrophobicContact CG-CD1 4.07Å |
| 1273 | P | 90.6 | Very high | 88.6 | Confident | 47 Ų | 47 | 68 Ų | 68 | 31% | 0.305 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 175.9 | -28.5 | 36.6 | 0 | 0 | 0 | 114.7 | S1268 I1270 T1277 M1859 | S1268-P1273 WeakPolarHBondContact O-CD 3.47Å; I1270-P1273 WeakPolarHBondContact O-CD 3.01Å; P1273-T1277 WeakPolarHBondContact O-CB 3.37Å; P1273-T1277 PolarHBondContact O-N 3.09Å; P1273-T1277 PolarHBondContact O-OG1 2.92Å; P1273-M1859 HydrophobicContact CB-SD 4.35Å; P1273-M1859 HydrophobicContact CG-CE 4.04Å; P1273-M1859 HydrophobicContact CG-SD 3.86Å |
| 1274 | E | 92.2 | Very high | 88.8 | Confident | 128 Ų | 128 | 65.2 Ų | 65.2 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.4 | -53.4 | 174.9 | -73.6 | -178.9 | 160.3 | 0 | 0 | 110.5 | I1270 Y1276 T1277 E1278 | I1270-E1274 HydrophobicContact CG2-CG 4.43Å; I1270-E1274 WeakPolarHBondContact O-CB 3.25Å; I1270-E1274 WeakPolarHBondContact O-CG 3.48Å; I1270-E1274 PolarHBondContact O-N 2.95Å; E1274-Y1276 VanDerWaalsContact C-N 3.32Å; E1274-Y1276 PolarHBondContact O-N 3.47Å; E1274-T1277 PolarHBondContact O-N 3.27Å; E1274-E1278 WeakPolarHBondContact O-CB 3.23Å; E1274-E1278 PolarHBondContact O-N 2.9Å |
| 1275 | L | 90 | Very high | 89.1 | Confident | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 179.8 | -172.7 | 66.2 | 0 | 0 | 0 | 112.8 | T1271 F1272 E1278 I1279 L1863 T1870 | T1271-L1275 VanDerWaalsContact O-CB 3.23Å; T1271-L1275 WeakPolarHBondContact O-CB 3.31Å; T1271-L1275 PolarHBondContact O-N 3.27Å; T1271-L1275 VanDerWaalsContact O-N 3.13Å; F1272-L1275 PolarHBondContact O-N 2.91Å; L1275-E1278 PolarHBondContact O-N 2.96Å; L1275-I1279 HydrophobicContact CD1-CD1 4.42Å; L1275-I1279 HydrophobicContact CD1-CG1 4.48Å; L1275-I1279 HydrophobicContact CG-CD1 4.16Å; L1275-I1279 WeakPolarHBondContact O-CB 3.48Å; L1275-I1279 VanDerWaalsContact O-CG1 3.28Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.49Å; L1275-I1279 PolarHBondContact O-N 3.02Å; L1275-L1863 HydrophobicContact CB-CD2 4.21Å; L1275-L1863 HydrophobicContact CD2-CD1 4.49Å; L1275-L1863 HydrophobicContact CD2-CD2 3.98Å; L1275-L1863 HydrophobicContact CG-CD2 3.81Å; L1275-T1870 HydrophobicContact CD1-CG2 4Å; L1275-T1870 HydrophobicContact CD2-CG2 4.3Å; L1275-T1870 HydrophobicContact CG-CG2 4.43Å |
| 1276 | Y | 91.4 | Very high | 89.1 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 175.7 | 179.4 | -81.3 | 0 | 0 | 0 | 110.7 | F1272 E1274 E1280 K1354 M1859 Y1862 | F1272-Y1276 WeakPolarHBondContact O-CB 3.48Å; F1272-Y1276 PolarHBondContact O-N 3.15Å; E1274-Y1276 VanDerWaalsContact C-N 3.32Å; E1274-Y1276 PolarHBondContact O-N 3.47Å; Y1276-E1280 VanDerWaalsContact CE1-OE2 3.31Å; Y1276-E1280 WeakPolarHBondContact CE1-OE2 3.45Å; Y1276-E1280 WeakPolarHBondContact O-CB 3.22Å; Y1276-E1280 PolarHBondContact O-N 2.98Å; Y1276-K1354 WeakPolarHBondContact OH-CE 3.31Å; Y1276-K1354 PolarHBondContact OH-NZ 2.87Å; Y1276-M1859 HydrophobicContact CD2-CB 4.29Å; Y1276-M1859 HydrophobicContact CD2-CG 3.79Å; Y1276-M1859 HydrophobicContact CG-CG 4.19Å; Y1276-Y1862 AromaticContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CD1 3.47Å; Y1276-Y1862 VanDerWaalsContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CE1 4.2Å; Y1276-Y1862 AromaticContact CD2-CG 3.92Å; Y1276-Y1862 HydrophobicContact CD2-CG 3.92Å; Y1276-Y1862 AromaticContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD2 4.13Å; Y1276-Y1862 HydrophobicContact CE2-CE1 4.09Å; Y1276-Y1862 AromaticContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CE2-CG 3.41Å; Y1276-Y1862 VanDerWaalsContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CG-CD1 4.28Å |
| 1277 | T | 92.1 | Very high | 89 | Confident | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 179.2 | -51.8 | 0 | 0 | 0 | 0 | 111 | P1273 E1274 E1280 D1281 | P1273-T1277 WeakPolarHBondContact O-CB 3.37Å; P1273-T1277 PolarHBondContact O-N 3.09Å; P1273-T1277 PolarHBondContact O-OG1 2.92Å; E1274-T1277 PolarHBondContact O-N 3.27Å; T1277-E1280 PolarHBondContact O-N 3.36Å; T1277-D1281 WeakPolarHBondContact O-CB 3.36Å; T1277-D1281 PolarHBondContact O-N 3.06Å |
| 1278 | E | 92.4 | Very high | 88.8 | Confident | 109 Ų | 109 | 55 Ų | 55 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 179.9 | -160.8 | 169.7 | -147.7 | 0 | 0 | 112 | E1274 L1275 H1282 V1873 | E1274-E1278 WeakPolarHBondContact O-CB 3.23Å; E1274-E1278 PolarHBondContact O-N 2.9Å; L1275-E1278 PolarHBondContact O-N 2.96Å; E1278-H1282 WeakPolarHBondContact O-CB 3.47Å; E1278-H1282 PolarHBondContact O-N 2.98Å; E1278-H1282 VanDerWaalsContact O-N 3.09Å; E1278-V1873 HydrophobicContact CB-CG1 4.49Å; E1278-V1873 HydrophobicContact CG-CG1 3.6Å; E1278-V1873 HydrophobicContact CG-CG2 4.24Å; E1278-V1873 VanDerWaalsContact OE2-CG1 3.26Å; E1278-V1873 WeakPolarHBondContact OE2-CG1 3.16Å |
| 1279 | I | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 171.4 | -65.5 | 176.7 | 0 | 0 | 0 | 111.6 | L1275 H1282 L1283 Y1862 L1863 N1866 L1869 T1870 | L1275-I1279 HydrophobicContact CD1-CD1 4.42Å; L1275-I1279 HydrophobicContact CD1-CG1 4.48Å; L1275-I1279 HydrophobicContact CG-CD1 4.16Å; L1275-I1279 WeakPolarHBondContact O-CB 3.48Å; L1275-I1279 VanDerWaalsContact O-CG1 3.28Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.49Å; L1275-I1279 PolarHBondContact O-N 3.02Å; I1279-H1282 PolarHBondContact O-N 2.91Å; I1279-L1283 VanDerWaalsContact O-CB 3.28Å; I1279-L1283 WeakPolarHBondContact O-CB 3.45Å; I1279-L1283 PolarHBondContact O-N 3.19Å; I1279-Y1862 HydrophobicContact CB-CE1 4.31Å; I1279-Y1862 HydrophobicContact CG2-CE1 3.84Å; I1279-L1863 HydrophobicContact CD1-CD2 3.66Å; I1279-N1866 HydrophobicContact CG2-CB 3.76Å; I1279-L1869 HydrophobicContact CG2-CB 4.19Å; I1279-L1869 HydrophobicContact CG2-CD1 3.86Å; I1279-T1870 HydrophobicContact CD1-CG2 3.47Å; I1279-T1870 VanDerWaalsContact CD1-CG2 3.47Å; I1279-T1870 HydrophobicContact CG1-CG2 4.22Å |
| 1280 | E | 92.4 | Very high | 86.9 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 179.3 | 177 | 162.4 | -145.5 | 0 | 0 | 111.7 | Y1276 T1277 L1283 N1284 K1354 Y1862 | Y1276-E1280 VanDerWaalsContact CE1-OE2 3.31Å; Y1276-E1280 WeakPolarHBondContact CE1-OE2 3.45Å; Y1276-E1280 WeakPolarHBondContact O-CB 3.22Å; Y1276-E1280 PolarHBondContact O-N 2.98Å; T1277-E1280 PolarHBondContact O-N 3.36Å; E1280-L1283 PolarHBondContact O-N 3.04Å; E1280-N1284 WeakPolarHBondContact CG-ND2 3.48Å; E1280-N1284 VanDerWaalsContact O-CB 3.27Å; E1280-N1284 WeakPolarHBondContact O-CB 3.44Å; E1280-N1284 PolarHBondContact O-N 3.09Å; E1280-N1284 PolarHBondContact O-ND2 3.41Å; E1280-K1354 IonicContact OE1-NZ 3.28Å; E1280-K1354 PolarHBondContact OE1-NZ 2.99Å; E1280-K1354 IonicContact OE2-NZ 3.06Å; E1280-K1354 PolarHBondContact OE2-NZ 2.99Å; E1280-Y1862 WeakPolarHBondContact CA-OH 3.33Å; E1280-Y1862 HydrophobicContact CB-CE1 4.34Å |
| 1281 | D | 91.2 | Very high | 85.1 | Confident | 84 Ų | 84 | 50.4 Ų | 50.4 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.2 | -86.2 | -13.5 | 0 | 0 | 0 | 110.8 | T1277 N1284 E1285 | T1277-D1281 WeakPolarHBondContact O-CB 3.36Å; T1277-D1281 PolarHBondContact O-N 3.06Å; D1281-N1284 PolarHBondContact O-N 2.75Å; D1281-E1285 WeakPolarHBondContact O-CB 3.16Å; D1281-E1285 PolarHBondContact O-N 2.92Å |
| 1282 | H | 90.3 | Very high | 82.9 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 19% | 0.185 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.2 | -40 | 176.9 | -173.2 | 54.2 | 0 | 0 | 0 | 113.5 | E1278 I1279 N1284 E1285 L1286 V1873 | E1278-H1282 WeakPolarHBondContact O-CB 3.47Å; E1278-H1282 PolarHBondContact O-N 2.98Å; E1278-H1282 VanDerWaalsContact O-N 3.09Å; I1279-H1282 PolarHBondContact O-N 2.91Å; H1282-N1284 VanDerWaalsContact C-N 3.35Å; H1282-E1285 IonicContact ND1-OE2 3.89Å; H1282-E1285 WeakPolarHBondContact O-CB 3.24Å; H1282-E1285 PolarHBondContact O-N 3.03Å; H1282-L1286 WeakPolarHBondContact O-CG 3.38Å; H1282-L1286 PolarHBondContact O-N 3.03Å; H1282-V1873 HydrophobicContact CB-CG2 4.32Å |
| 1283 | L | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.2 | 176.7 | 60.7 | 0 | 0 | 0 | 111 | I1279 E1280 E1285 L1286 L1287 Y1351 Y1353 L1869 | I1279-L1283 VanDerWaalsContact O-CB 3.28Å; I1279-L1283 WeakPolarHBondContact O-CB 3.45Å; I1279-L1283 PolarHBondContact O-N 3.19Å; E1280-L1283 PolarHBondContact O-N 3.04Å; L1283-E1285 VanDerWaalsContact C-N 3.33Å; L1283-L1286 PolarHBondContact O-N 2.77Å; L1283-L1287 HydrophobicContact CD1-CD1 4.29Å; L1283-L1287 HydrophobicContact CD1-CG 4.33Å; L1283-L1287 HydrophobicContact CG-CD1 4.08Å; L1283-L1287 VanDerWaalsContact O-CG 3.24Å; L1283-L1287 WeakPolarHBondContact O-CG 3.37Å; L1283-L1287 PolarHBondContact O-N 3.01Å; L1283-Y1351 HydrophobicContact CD1-CD1 3.84Å; L1283-Y1351 HydrophobicContact CD1-CD2 3.64Å; L1283-Y1351 HydrophobicContact CD1-CE1 4.24Å; L1283-Y1351 HydrophobicContact CD1-CE2 4.05Å; L1283-Y1351 HydrophobicContact CD1-CG 3.51Å; L1283-Y1353 HydrophobicContact CD2-CD2 4.49Å; L1283-L1869 HydrophobicContact CB-CD1 4.1Å; L1283-L1869 HydrophobicContact CD1-CD1 4.39Å |
| 1284 | N | 90 | Very high | 78 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 173.8 | -78.4 | -49.5 | 0 | 0 | 0 | 111.5 | E1280 D1281 H1282 L1287 D1288 R1374 | E1280-N1284 WeakPolarHBondContact CG-ND2 3.48Å; E1280-N1284 VanDerWaalsContact O-CB 3.27Å; E1280-N1284 WeakPolarHBondContact O-CB 3.44Å; E1280-N1284 PolarHBondContact O-N 3.09Å; E1280-N1284 PolarHBondContact O-ND2 3.41Å; D1281-N1284 PolarHBondContact O-N 2.75Å; H1282-N1284 VanDerWaalsContact C-N 3.35Å; N1284-L1287 PolarHBondContact O-N 2.6Å; N1284-D1288 WeakPolarHBondContact O-CB 3.25Å; N1284-D1288 PolarHBondContact O-N 2.69Å; N1284-R1374 VanDerWaalsContact CG-NE 3.35Å; N1284-R1374 VanDerWaalsContact OD1-CD 3.22Å; N1284-R1374 WeakPolarHBondContact OD1-CD 3.46Å; N1284-R1374 PolarHBondContact OD1-NE 3.1Å |
| 1285 | E | 86.2 | Confident | 75.2 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.3 | -156.1 | -142.3 | 143.6 | 0 | 0 | 112.1 | D1281 H1282 L1283 D1288 N1289 | D1281-E1285 WeakPolarHBondContact O-CB 3.16Å; D1281-E1285 PolarHBondContact O-N 2.92Å; H1282-E1285 IonicContact ND1-OE2 3.89Å; H1282-E1285 WeakPolarHBondContact O-CB 3.24Å; H1282-E1285 PolarHBondContact O-N 3.03Å; L1283-E1285 VanDerWaalsContact C-N 3.33Å; E1285-D1288 PolarHBondContact O-N 3.23Å; E1285-N1289 WeakPolarHBondContact O-CB 3.49Å; E1285-N1289 VanDerWaalsContact O-CG 3.26Å; E1285-N1289 PolarHBondContact O-N 3.07Å; E1285-N1289 PolarHBondContact O-ND2 3.46Å; E1285-N1289 PolarHBondContact OE1-ND2 2.98Å |
| 1286 | L | 83.2 | Confident | 72.9 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.4 | -72.2 | 171.7 | 0 | 0 | 0 | 112.2 | H1282 L1283 N1289 R1290 L1869 | H1282-L1286 WeakPolarHBondContact O-CG 3.38Å; H1282-L1286 PolarHBondContact O-N 3.03Å; L1283-L1286 PolarHBondContact O-N 2.77Å; L1286-N1289 PolarHBondContact O-N 3.44Å; L1286-R1290 PolarHBondContact O-N 3.05Å; L1286-L1869 HydrophobicContact CD1-CD2 3.87Å |
| 1287 | L | 83.4 | Confident | 70.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.4 | -69.9 | 167.8 | 0 | 0 | 0 | 111.2 | L1283 N1284 N1289 I1338 Y1340 Y1353 L1375 | L1283-L1287 HydrophobicContact CD1-CD1 4.29Å; L1283-L1287 HydrophobicContact CD1-CG 4.33Å; L1283-L1287 HydrophobicContact CG-CD1 4.08Å; L1283-L1287 VanDerWaalsContact O-CG 3.24Å; L1283-L1287 WeakPolarHBondContact O-CG 3.37Å; L1283-L1287 PolarHBondContact O-N 3.01Å; N1284-L1287 PolarHBondContact O-N 2.6Å; L1287-N1289 VanDerWaalsContact C-N 3.32Å; L1287-N1289 PolarHBondContact O-N 3.12Å; L1287-I1338 HydrophobicContact CD2-CD1 4.1Å; L1287-Y1340 HydrophobicContact CD2-CD1 4.36Å; L1287-Y1340 HydrophobicContact CD2-CE1 3.67Å; L1287-Y1353 HydrophobicContact CD1-CD2 3.73Å; L1287-Y1353 HydrophobicContact CD1-CE2 3.77Å; L1287-L1375 HydrophobicContact CB-CD2 4.42Å; L1287-L1375 HydrophobicContact CD2-CD2 3.77Å; L1287-L1375 HydrophobicContact CD2-CG 4.47Å |
| 1288 | D | 81.4 | Confident | 68.9 | Low | 39 Ų | 39 | 55.3 Ų | 55.3 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 175.4 | -68.1 | -8.2 | 0 | 0 | 0 | 111.6 | N1284 E1285 R1374 K1378 | N1284-D1288 WeakPolarHBondContact O-CB 3.25Å; N1284-D1288 PolarHBondContact O-N 2.69Å; E1285-D1288 PolarHBondContact O-N 3.23Å; D1288-R1374 WeakPolarHBondContact OD1-CB 3.33Å; D1288-R1374 WeakPolarHBondContact OD1-CD 3.43Å; D1288-R1374 WeakPolarHBondContact OD1-CG 3.37Å; D1288-R1374 IonicContact OD1-CZ 3.52Å; D1288-R1374 IonicContact OD1-NH1 3.9Å; D1288-R1374 PolarHBondContact OD1-NH1 3.43Å; D1288-R1374 IonicContact OD2-CZ 2.74Å; D1288-R1374 IonicContact OD2-NH1 2.73Å; D1288-R1374 PolarHBondContact OD2-NH1 3.25Å; D1288-K1378 VanDerWaalsContact C-NZ 3.34Å; D1288-K1378 VanDerWaalsContact O-CD 3.3Å; D1288-K1378 WeakPolarHBondContact O-CD 3.35Å; D1288-K1378 VanDerWaalsContact O-CE 3.3Å; D1288-K1378 WeakPolarHBondContact O-CE 3.42Å; D1288-K1378 PolarHBondContact O-NZ 2.8Å |
| 1289 | N | 69.4 | Low | 67.2 | Low | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -87.1 | -10.8 | -170.8 | -77.6 | -19.7 | 0 | 0 | 0 | 115.8 | E1285 L1286 L1287 M1291 I1292 Q1293 K1378 | E1285-N1289 WeakPolarHBondContact O-CB 3.49Å; E1285-N1289 VanDerWaalsContact O-CG 3.26Å; E1285-N1289 PolarHBondContact O-N 3.07Å; E1285-N1289 PolarHBondContact O-ND2 3.46Å; E1285-N1289 PolarHBondContact OE1-ND2 2.98Å; L1286-N1289 PolarHBondContact O-N 3.44Å; L1287-N1289 VanDerWaalsContact C-N 3.32Å; L1287-N1289 PolarHBondContact O-N 3.12Å; N1289-M1291 PolarHBondContact O-N 2.74Å; N1289-M1291 VanDerWaalsContact O-N 3.08Å; N1289-I1292 PolarHBondContact O-N 2.9Å; N1289-Q1293 PolarHBondContact O-N 3.04Å; N1289-K1378 PolarHBondContact OD1-NZ 3.13Å |
| 1290 | R | 61.3 | Low | 66.5 | Low | 41 Ų | 41 | 51.1 Ų | 51.1 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -27.4 | 177.4 | -85.4 | -149.5 | -69.8 | 149.4 | 0.3 | 114.4 | L1286 S1294 Y1340 N1341 L1375 | L1286-R1290 PolarHBondContact O-N 3.05Å; R1290-S1294 WeakPolarHBondContact O-CB 3.39Å; R1290-S1294 PolarHBondContact O-OG 3.43Å; R1290-Y1340 HydrophobicContact CG-CE2 4.42Å; R1290-Y1340 VanDerWaalsContact NE-CE2 3.3Å; R1290-Y1340 VanDerWaalsContact NH1-CD2 3.32Å; R1290-Y1340 VanDerWaalsContact NH2-CG 3.28Å; R1290-N1341 PolarHBondContact NH1-O 3.06Å; R1290-L1375 VanDerWaalsContact NH2-CD2 3.25Å |
| 1291 | M | 49.7 | Very low | 66.2 | Low | 50 Ų | 50 | 50.2 Ų | 50.2 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.6 | -18.7 | 174.9 | -84 | -56 | -47.6 | 0 | 0 | 115 | N1289 K1378 L1379 | N1289-M1291 PolarHBondContact O-N 2.74Å; N1289-M1291 VanDerWaalsContact O-N 3.08Å; M1291-K1378 HydrophobicContact CB-CB 3.79Å; M1291-K1378 HydrophobicContact CB-CD 4.38Å; M1291-K1378 HydrophobicContact CG-CB 4.24Å; M1291-L1379 HydrophobicContact CE-CD2 3.29Å; M1291-L1379 HydrophobicContact CE-CG 3.87Å; M1291-L1379 HydrophobicContact CG-CD1 4.31Å; M1291-L1379 HydrophobicContact CG-CG 4.08Å; M1291-L1379 HydrophobicContact SD-CD1 3.81Å; M1291-L1379 HydrophobicContact SD-CD2 3.6Å; M1291-L1379 HydrophobicContact SD-CG 3.69Å |
| 1292 | I | 43.5 | Very low | 66.2 | Low | 117 Ų | 117 | 46.2 Ų | 46.2 | 60% | 0.6 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -87.4 | -44.2 | -179.4 | -61.7 | -176.8 | 0 | 0 | 0 | 110.9 | N1289 K1378 | N1289-I1292 PolarHBondContact O-N 2.9Å; I1292-K1378 HydrophobicContact CD1-CD 4.04Å; I1292-K1378 HydrophobicContact CG1-CD 3.88Å |
| 1293 | Q | 39.3 | Very low | 66.4 | Low | 171 Ų | 171 | 44.4 Ų | 44.4 | 80% | 0.799 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -78.5 | -22.7 | -175.3 | -65.4 | -175.3 | -1.7 | 0 | 0 | 113.5 | N1289 | N1289-Q1293 PolarHBondContact O-N 3.04Å |
| 1294 | S | 36.4 | Very low | 66.5 | Low | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | trans | -105.8 | 117.9 | -172.9 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | R1290 S1296 S1343 | R1290-S1294 WeakPolarHBondContact O-CB 3.39Å; R1290-S1294 PolarHBondContact O-OG 3.43Å; S1294-S1296 WeakPolarHBondContact CB-OG 3.31Å; S1294-S1296 PolarHBondContact O-N 3.42Å; S1294-S1343 WeakPolarHBondContact CB-OG 3.37Å | ||
| 1295 | N | 34.8 | Very low | 66.6 | Low | 111 Ų | 111 | 44.2 Ų | 44.2 | 59% | 0.594 | 23% | 0.226 | S | C | * | . | trans | -73.6 | 24.1 | 171.4 | -111.6 | -76.9 | 0 | 0 | 0 | 112.4 | K1430 | N1295-K1430 PolarHBondContact O-NZ 2.91Š| ||
| 1296 | S | 41.5 | Very low | 66.7 | Low | 44 Ų | 44 | 39.5 Ų | 39.5 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -125.7 | 115.8 | -169.9 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | S1294 N1298 | S1294-S1296 WeakPolarHBondContact CB-OG 3.31Å; S1294-S1296 PolarHBondContact O-N 3.42Å; S1296-N1298 PolarHBondContact O-N 3.43Å |
| 1297 | F | 47.4 | Very low | 66.8 | Low | 48 Ų | 48 | 37.4 Ų | 37.4 | 21% | 0.211 | 19% | 0.193 | C | C | . | . | trans | -68.2 | 59 | 178.7 | -70.5 | -92.5 | 0 | 0 | 0 | 113.3 | K1430 Q1434 L1438 L1777 | F1297-K1430 HydrophobicContact CD2-CD 4.47Å; F1297-K1430 HydrophobicContact CE2-CB 3.97Å; F1297-K1430 HydrophobicContact CE2-CD 3.66Å; F1297-K1430 HydrophobicContact CE2-CG 4.46Å; F1297-K1430 HydrophobicContact CZ-CB 4.2Å; F1297-Q1434 HydrophobicContact CD2-CB 3.82Å; F1297-Q1434 HydrophobicContact CE2-CB 3.61Å; F1297-Q1434 HydrophobicContact CG-CB 4.36Å; F1297-Q1434 HydrophobicContact CZ-CB 4.03Å; F1297-L1438 HydrophobicContact CB-CB 4.16Å; F1297-L1438 HydrophobicContact CB-CD1 3.88Å; F1297-L1438 HydrophobicContact CD1-CB 4.07Å; F1297-L1438 HydrophobicContact CD1-CD1 3.9Å; F1297-L1438 HydrophobicContact CD1-CG 4.48Å; F1297-L1438 HydrophobicContact CG-CD1 4.39Å; F1297-L1777 WeakPolarHBondContact O-CD2 3.06Å | ||
| 1298 | N | 51.7 | Low | 66.5 | Low | 39 Ų | 39 | 37.4 Ų | 37.4 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | trans | -133.5 | 74.4 | -172.8 | -108.3 | -30.5 | 0 | 0 | 0 | 113.4 | S1296 A1300 L1777 M1780 | S1296-N1298 PolarHBondContact O-N 3.43Å; N1298-A1300 PolarHBondContact O-N 3.07Å; N1298-L1777 WeakPolarHBondContact OD1-CA 3.23Å; N1298-L1777 WeakPolarHBondContact OD1-CD2 3.05Å; N1298-M1780 VanDerWaalsContact ND2-CG 3.31Å; N1298-M1780 WeakPolarHBondContact ND2-CG 3.3Å | ||
| 1299 | P | 57.2 | Low | 65.9 | Low | 17 Ų | 17 | 37.4 Ų | 37.4 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | trans | -74.6 | 56.2 | 166.7 | 34.8 | -36.5 | 0 | 0 | 0 | 110.4 | F1301 L1376 L1379 L1438 | P1299-F1301 WeakPolarHBondContact O-CD1 3.19Å; P1299-L1376 HydrophobicContact CB-CD2 3.89Å; P1299-L1376 HydrophobicContact CG-CD2 4.33Å; P1299-L1379 HydrophobicContact CB-CD1 4.27Å; P1299-L1379 HydrophobicContact CG-CD1 4.18Å; P1299-L1438 VanDerWaalsContact CD-CD1 3.47Å; P1299-L1438 HydrophobicContact CG-CD1 3.88Å; P1299-L1438 HydrophobicContact CG-CG 4.25Å | ||
| 1300 | A | 76.5 | Confident | 65.5 | Low | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | trans | -84.6 | 118.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N1298 M1780 A1784 | N1298-A1300 PolarHBondContact O-N 3.07Å; A1300-M1780 VanDerWaalsContact CB-C 3.48Å; A1300-M1780 HydrophobicContact CB-CB 3.81Å; A1300-M1780 WeakPolarHBondContact CB-O 3.19Å; A1300-A1784 HydrophobicContact CB-CB 4.18Å | ||
| 1301 | F | 86.4 | Confident | 65 | Low | 18 Ų | 18 | 34.8 Ų | 34.8 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 158.3 | 175.7 | 65.5 | -83.4 | 0 | 0 | 0 | 110.6 | P1299 F1303 I1338 H1339 R1372 L1375 V1446 | P1299-F1301 WeakPolarHBondContact O-CD1 3.19Å; F1301-F1303 HydrophobicContact CD2-CE2 4.44Å; F1301-F1303 HydrophobicContact CD2-CZ 4.35Å; F1301-F1303 AromaticContact CE2-CE2 3.9Å; F1301-F1303 HydrophobicContact CE2-CE2 3.9Å; F1301-F1303 AromaticContact CE2-CZ 3.96Å; F1301-F1303 HydrophobicContact CE2-CZ 3.96Å; F1301-I1338 HydrophobicContact CB-CD1 4.25Å; F1301-I1338 HydrophobicContact CB-CG1 4.36Å; F1301-I1338 HydrophobicContact CD2-CD1 4.25Å; F1301-I1338 HydrophobicContact CG-CD1 4.46Å; F1301-H1339 CarbonylContact C-O 3.12Å; F1301-H1339 VanDerWaalsContact CA-O 3.24Å; F1301-H1339 WeakPolarHBondContact CA-O 3.48Å; F1301-R1372 HydrophobicContact CZ-CB 4.44Å; F1301-R1372 HydrophobicContact CZ-CG 4.32Å; F1301-L1375 HydrophobicContact CD1-CD1 3.87Å; F1301-L1375 HydrophobicContact CD2-CD1 3.98Å; F1301-L1375 HydrophobicContact CE1-CD1 3.95Å; F1301-L1375 HydrophobicContact CE2-CD1 4.04Å; F1301-L1375 HydrophobicContact CG-CD1 3.9Å; F1301-L1375 HydrophobicContact CZ-CD1 4.03Å; F1301-V1446 HydrophobicContact CD2-CG1 4.37Å; F1301-V1446 HydrophobicContact CE2-CG1 3.83Å; F1301-V1446 HydrophobicContact CE2-CG2 4.44Å; F1301-V1446 HydrophobicContact CZ-CG2 4.38Å |
| 1302 | S | 91.6 | Very high | 64.5 | Low | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 162.6 | 164.5 | 71.2 | 0 | 0 | 0 | 0 | 110.2 | H1339 P1447 A1784 | S1302-H1339 PolarHBondContact N-O 2.86Å; S1302-H1339 PolarHBondContact O-N 3.29Å; S1302-P1447 WeakPolarHBondContact CA-O 3.39Å; S1302-P1447 WeakPolarHBondContact CB-O 3.42Å; S1302-A1784 WeakPolarHBondContact CB-O 3.39Å; S1302-A1784 PolarHBondContact OG-O 2.94Å |
| 1303 | F | 93.6 | Very high | 64.1 | Low | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 151.9 | 169.7 | -64.5 | -66.2 | 0 | 0 | 0 | 111.3 | F1301 I1336 G1337 I1338 M1368 C1371 V1446 P1447 I1448 I1449 | F1301-F1303 HydrophobicContact CD2-CE2 4.44Å; F1301-F1303 HydrophobicContact CD2-CZ 4.35Å; F1301-F1303 AromaticContact CE2-CE2 3.9Å; F1301-F1303 HydrophobicContact CE2-CE2 3.9Å; F1301-F1303 AromaticContact CE2-CZ 3.96Å; F1301-F1303 HydrophobicContact CE2-CZ 3.96Å; F1303-I1336 HydrophobicContact CD1-CG2 4.19Å; F1303-G1337 CarbonylContact C-O 3.6Å; F1303-G1337 VanDerWaalsContact CA-O 3.26Å; F1303-G1337 WeakPolarHBondContact CA-O 3.27Å; F1303-I1338 HydrophobicContact CD1-CB 4.14Å; F1303-I1338 HydrophobicContact CD1-CG1 4.38Å; F1303-I1338 HydrophobicContact CE1-CB 4.23Å; F1303-I1338 HydrophobicContact CE1-CD1 4.31Å; F1303-I1338 HydrophobicContact CE1-CG1 4.29Å; F1303-M1368 HydrophobicContact CD2-CE 4.33Å; F1303-M1368 HydrophobicContact CD2-CG 4.23Å; F1303-M1368 HydrophobicContact CE2-CB 4.05Å; F1303-M1368 HydrophobicContact CE2-CE 4.5Å; F1303-M1368 HydrophobicContact CE2-CG 4.08Å; F1303-M1368 HydrophobicContact CZ-CB 4.28Å; F1303-M1368 HydrophobicContact CZ-CG 4.36Å; F1303-C1371 HydrophobicContact CE1-CB 4.03Å; F1303-C1371 HydrophobicContact CZ-CB 3.97Å; F1303-V1446 HydrophobicContact CD2-CG1 3.68Å; F1303-V1446 HydrophobicContact CE2-CG1 3.84Å; F1303-P1447 PolarHBondContact N-O 2.9Å; F1303-I1448 HydrophobicContact CB-CG1 4.31Å; F1303-I1448 HydrophobicContact CB-CG2 4.42Å; F1303-I1448 CarbonylContact O-C 3.5Å; F1303-I1448 WeakPolarHBondContact O-CA 3.35Å; F1303-I1449 WeakPolarHBondContact O-CD1 3.36Å; F1303-I1449 PolarHBondContact O-N 3.48Å |
| 1304 | S | 92.6 | Very high | 63.5 | Low | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.9 | 157.3 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | N1335 I1336 G1337 H1339 I1449 | S1304-N1335 VanDerWaalsContact O-O 3.13Å; S1304-I1336 WeakPolarHBondContact O-CA 3.28Å; S1304-G1337 PolarHBondContact N-O 2.91Å; S1304-G1337 PolarHBondContact O-N 3.29Å; S1304-G1337 WeakPolarHBondContact OG-CA 3.28Å; S1304-H1339 WeakPolarHBondContact CB-NE2 3.38Å; S1304-H1339 PolarHBondContact OG-NE2 3.47Å; S1304-I1449 CarbonylContact C-O 3.56Å; S1304-I1449 VanDerWaalsContact CA-O 3.26Å; S1304-I1449 WeakPolarHBondContact CA-O 3.28Å |
| 1305 | I | 92.2 | Very high | 63.2 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 102.4 | 171.2 | -59.3 | -178.4 | 0 | 0 | 0 | 107.6 | L1307 A1334 N1335 I1336 M1368 I1448 I1449 T1450 L1456 | I1305-L1307 HydrophobicContact CG2-CG 4.25Å; I1305-A1334 HydrophobicContact CG2-CB 4.26Å; I1305-N1335 WeakPolarHBondContact CA-O 3.33Å; I1305-I1336 HydrophobicContact CG1-CG1 4.36Å; I1305-M1368 HydrophobicContact CD1-SD 3.86Å; I1305-I1448 HydrophobicContact CB-CG2 4.25Å; I1305-I1448 HydrophobicContact CD1-CD1 4.38Å; I1305-I1448 HydrophobicContact CD1-CG2 3.8Å; I1305-I1448 HydrophobicContact CG1-CG2 3.75Å; I1305-I1449 PolarHBondContact N-O 3.48Å; I1305-T1450 VanDerWaalsContact O-CA 3.25Å; I1305-T1450 WeakPolarHBondContact O-CA 3.5Å; I1305-T1450 WeakPolarHBondContact O-CB 3.38Å; I1305-T1450 PolarHBondContact O-OG1 3Å; I1305-L1456 HydrophobicContact CD1-CD1 4.04Å; I1305-L1456 HydrophobicContact CD1-CD2 4.14Å; I1305-L1456 HydrophobicContact CG2-CD1 4.49Å |
| 1306 | E | 88.4 | Confident | 62.8 | Low | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.8 | 170.4 | 174.6 | -163.9 | -147.4 | 0 | 0 | 109.7 | A1334 N1335 N1451 C1789 R1794 | E1306-A1334 WeakPolarHBondContact O-CA 3.49Å; E1306-N1335 HydrophobicContact CB-CB 4.13Å; E1306-N1335 PolarHBondContact N-O 2.88Å; E1306-N1335 PolarHBondContact O-N 3.46Å; E1306-N1335 PolarHBondContact OE2-ND2 3.4Å; E1306-N1451 WeakPolarHBondContact CA-OD1 3.28Å; E1306-C1789 HydrophobicContact CB-CB 4.49Å; E1306-R1794 IonicContact OE1-CZ 3.39Å; E1306-R1794 IonicContact OE1-NH1 3.71Å; E1306-R1794 PolarHBondContact OE1-NH1 3.07Å; E1306-R1794 IonicContact OE1-NH2 3.91Å; E1306-R1794 PolarHBondContact OE1-NH2 3.46Å; E1306-R1794 IonicContact OE2-CZ 3.98Å; E1306-R1794 IonicContact OE2-NH1 2.69Å; E1306-R1794 PolarHBondContact OE2-NH1 3.33Å |
| 1307 | L | 85.4 | Confident | 62 | Low | 9 Ų | 9 | 43.7 Ų | 43.7 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131 | 177.8 | -69.9 | 154.7 | 0 | 0 | 0 | 109.9 | I1305 F1333 A1334 P1359 N1451 D1452 F1455 | I1305-L1307 HydrophobicContact CG2-CG 4.25Å; L1307-F1333 WeakPolarHBondContact CA-O 3.5Å; L1307-A1334 HydrophobicContact CD2-CB 3.87Å; L1307-P1359 HydrophobicContact CD2-CG 3.87Å; L1307-N1451 PolarHBondContact N-OD1 3.3Å; L1307-N1451 PolarHBondContact O-ND2 3.09Å; L1307-D1452 HydrophobicContact CD1-CB 3.87Å; L1307-F1455 HydrophobicContact CD1-CB 4.45Å; L1307-F1455 HydrophobicContact CD1-CD1 3.53Å; L1307-F1455 HydrophobicContact CD1-CE1 4.19Å; L1307-F1455 HydrophobicContact CD1-CG 4.33Å; L1307-F1455 HydrophobicContact CD2-CD1 3.97Å; L1307-F1455 HydrophobicContact CD2-CE1 3.76Å; L1307-F1455 HydrophobicContact CG-CD1 4.39Å |
| 1308 | W | 75.7 | Confident | 60.9 | Low | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 165.4 | -179.3 | 60.1 | -85.5 | 0 | 0 | 0 | 110.9 | T1310 Q1332 F1333 N1335 I1841 V1844 Q1857 | W1308-T1310 HydrophobicContact CZ3-CG2 3.95Å; W1308-Q1332 CarbonylContact O-C 3.59Å; W1308-F1333 HydrophobicContact CD2-CB 3.71Å; W1308-F1333 HydrophobicContact CD2-CD2 4.42Å; W1308-F1333 HydrophobicContact CD2-CG 4.3Å; W1308-F1333 AromaticContact CE2-CG 3.92Å; W1308-F1333 HydrophobicContact CE3-CB 4.19Å; W1308-F1333 HydrophobicContact CE3-CD2 4.02Å; W1308-F1333 HydrophobicContact CE3-CG 4.31Å; W1308-F1333 HydrophobicContact CG-CB 4.24Å; W1308-F1333 HydrophobicContact CH2-CB 3.88Å; W1308-F1333 AromaticContact CH2-CD1 3.84Å; W1308-F1333 HydrophobicContact CH2-CD1 3.84Å; W1308-F1333 AromaticContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CE1 4.24Å; W1308-F1333 HydrophobicContact CH2-CE2 4.1Å; W1308-F1333 AromaticContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CZ 4.37Å; W1308-F1333 HydrophobicContact CZ2-CB 3.41Å; W1308-F1333 VanDerWaalsContact CZ2-CB 3.41Å; W1308-F1333 AromaticContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD2 4.11Å; W1308-F1333 AromaticContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ3-CB 4.25Å; W1308-F1333 AromaticContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CE2 4.08Å; W1308-F1333 AromaticContact CZ3-CG 3.93Å; W1308-F1333 HydrophobicContact CZ3-CG 3.93Å; W1308-F1333 PolarHBondContact N-O 3.19Å; W1308-F1333 PolarHBondContact O-N 2.89Å; W1308-N1335 PolarHBondContact NE1-ND2 3.2Å; W1308-N1335 VanDerWaalsContact NE1-ND2 3.19Å; W1308-N1335 PolarHBondContact NE1-OD1 2.99Å; W1308-I1841 HydrophobicContact CB-CG2 3.87Å; W1308-I1841 WeakPolarHBondContact CB-O 3.38Å; W1308-V1844 HydrophobicContact CB-CG2 4.01Å; W1308-V1844 HydrophobicContact CD2-CG2 3.55Å; W1308-V1844 HydrophobicContact CE3-CG2 3.73Å; W1308-V1844 HydrophobicContact CG-CG2 3.69Å; W1308-V1844 HydrophobicContact CZ3-CG2 4.47Å; W1308-Q1857 HydrophobicContact CH2-CG 3.95Å; W1308-Q1857 VanDerWaalsContact CH2-NE2 3.3Å |
| 1309 | N | 70.1 | Confident | 59.7 | Low | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.214 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.5 | -178.3 | -63.7 | -52.1 | 0 | 0 | 0 | 110.6 | Q1331 Q1332 | N1309-Q1331 WeakPolarHBondContact CA-O 3.42Å; N1309-Q1332 WeakPolarHBondContact OD1-CA 3.41Å; N1309-Q1332 WeakPolarHBondContact OD1-CB 3.5Å; N1309-Q1332 WeakPolarHBondContact OD1-CG 3.22Å |
| 1310 | T | 60.4 | Low | 58.2 | Low | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | trans | -73.4 | 142.4 | 166 | 47.8 | 0 | 0 | 0 | 0 | 111.5 | W1308 N1312 Q1331 F1333 | W1308-T1310 HydrophobicContact CZ3-CG2 3.95Å; T1310-N1312 PolarHBondContact OG1-OD1 2.99Å; T1310-Q1331 PolarHBondContact N-O 3.11Å; T1310-Q1331 PolarHBondContact OG1-O 2.74Å; T1310-F1333 HydrophobicContact CG2-CD2 4.29Å; T1310-F1333 HydrophobicContact CG2-CE2 3.5Å; T1310-F1333 HydrophobicContact CG2-CZ 4.1Å | ||
| 1311 | I | 50.4 | Low | 55.8 | Low | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | trans | -89.5 | 102.5 | 159.9 | -61 | 165.4 | 0 | 0 | 0 | 106.8 | N1313 K1523 K1524 N1842 | I1311-N1313 PolarHBondContact O-N 3.05Å; I1311-K1523 HydrophobicContact CD1-CB 3.86Å; I1311-K1523 HydrophobicContact CG1-CB 4.4Å; I1311-K1523 HydrophobicContact CG2-CB 4.12Å; I1311-K1523 HydrophobicContact CG2-CD 3.68Å; I1311-K1523 HydrophobicContact CG2-CG 4.49Å; I1311-K1524 HydrophobicContact CD1-CG 4.38Å; I1311-N1842 HydrophobicContact CD1-CB 3.78Å; I1311-N1842 HydrophobicContact CG1-CB 4.08Å | ||
| 1312 | N | 39.3 | Very low | 53 | Low | 57 Ų | 57 | 71.7 Ų | 71.7 | 31% | 0.305 | 39% | 0.391 | S | S | . | . | trans | -63.8 | 123.7 | 169 | -65.7 | -0.9 | 0 | 0 | 0 | 108.5 | T1310 D1314 N1329 | T1310-N1312 PolarHBondContact OG1-OD1 2.99Å; N1312-D1314 VanDerWaalsContact C-N 3.33Å; N1312-N1329 PolarHBondContact ND2-O 3.16Å | ||
| 1313 | N | 35.5 | Very low | 49.8 | Very low | 93 Ų | 93 | 79.4 Ų | 79.4 | 50% | 0.497 | 43% | 0.432 | S | S | . | . | trans | -93 | 2.3 | -178.8 | -132.3 | 50.3 | 0 | 0 | 0 | 112.2 | I1311 N1315 | I1311-N1313 PolarHBondContact O-N 3.05Å; N1313-N1315 PolarHBondContact O-N 2.77Å; N1313-N1315 VanDerWaalsContact O-N 3.08Å | ||
| 1314 | D | 27.5 | Very low | 46.5 | Very low | 131 Ų | 131 | 84.4 Ų | 84.4 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | trans | -85.3 | 72.2 | -172.8 | -59.6 | -49.2 | 0 | 0 | 0 | 112.2 | N1312 | N1312-D1314 VanDerWaalsContact C-N 3.33Š| ||
| 1315 | N | 28.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 91.7 Ų | 91.7 | 60% | 0.599 | 50% | 0.503 | S | S | * | . | trans | -146.3 | 42.2 | 165.7 | -109.3 | -20.9 | 0 | 0 | 0 | 113.1 | N1313 N1317 | N1313-N1315 PolarHBondContact O-N 2.77Å; N1313-N1315 VanDerWaalsContact O-N 3.08Å; N1315-N1317 PolarHBondContact O-N 3.33Å | ||
| 1316 | N | 26.3 | Very low | 40.3 | Very low | 164 Ų | 164 | 97 Ų | 97 | 88% | 0.877 | 54% | 0.535 | S | S | * | . | trans | -71.2 | 53.3 | 167.9 | -85.9 | -30.2 | 0 | 0 | 0 | 112.3 | ||||
| 1317 | N | 25.3 | Very low | 37.5 | Very low | 147 Ų | 147 | 102.6 Ų | 102.6 | 79% | 0.786 | 57% | 0.569 | S | S | * | * | trans | -148.7 | 108.9 | 169.7 | -101 | -41.8 | 0 | 0 | 0 | 110.5 | N1315 N1319 | N1315-N1317 PolarHBondContact O-N 3.33Å; N1317-N1319 PolarHBondContact O-N 2.8Å | ||
| 1318 | S | 25.5 | Very low | 35.4 | Very low | 113 Ų | 113 | 106.1 Ų | 106.1 | 79% | 0.79 | 59% | 0.586 | S | S | * | * | trans | -72.4 | 114 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1319 | N | 25.7 | Very low | 34 | Very low | 160 Ų | 160 | 112.5 Ų | 112.5 | 86% | 0.856 | 62% | 0.62 | S | S | * | * | trans | -153.3 | 116.4 | 150.7 | -99.4 | -38.3 | 0 | 0 | 0 | 110.8 | N1317 S1321 | N1317-N1319 PolarHBondContact O-N 2.8Å; N1319-S1321 VanDerWaalsContact C-N 3.3Å; N1319-S1321 PolarHBondContact O-N 3.08Å; N1319-S1321 VanDerWaalsContact O-N 3.08Å | ||
| 1320 | L | 26.3 | Very low | 33.4 | Very low | 167 Ų | 167 | 116.9 Ų | 116.9 | 87% | 0.874 | 64% | 0.637 | S | S | * | * | trans | -87.3 | 62.5 | -174.9 | -167.2 | 78.9 | 0 | 0 | 0 | 111.4 | K1322 | L1320-K1322 PolarHBondContact O-N 2.99Š| ||
| 1321 | S | 26.2 | Very low | 33.9 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -75.6 | 114 | 167.3 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | N1319 | N1319-S1321 VanDerWaalsContact C-N 3.3Å; N1319-S1321 PolarHBondContact O-N 3.08Å; N1319-S1321 VanDerWaalsContact O-N 3.08Å | ||
| 1322 | K | 26.9 | Very low | 35.3 | Very low | 175 Ų | 175 | 120.7 Ų | 120.7 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | trans | -64 | 164.5 | 162.2 | -64.9 | 174.1 | -177.7 | 173.2 | 0 | 109.4 | L1320 | L1320-K1322 PolarHBondContact O-N 2.99Š| ||
| 1323 | D | 23.5 | Very low | 37.4 | Very low | 162 Ų | 162 | 118 Ų | 118 | 87% | 0.866 | 64% | 0.64 | S | S | * | * | trans | 67.5 | 68.3 | 172.4 | -46.9 | -30.5 | 0 | 0 | 0 | 115.2 | ||||
| 1324 | C | 24.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 73% | 0.73 | 62% | 0.616 | S | S | * | * | trans | -139.9 | 142.4 | 163.5 | -126.2 | 0 | 0 | 0 | 0 | 110.9 | V1326 | C1324-V1326 PolarHBondContact O-N 3.08Š| ||
| 1325 | I | 25.4 | Very low | 42.8 | Very low | 161 Ų | 161 | 107.5 Ų | 107.5 | 83% | 0.826 | 58% | 0.584 | S | S | * | * | trans | -78.4 | 105.9 | 178.8 | -63.1 | 170.9 | 0 | 0 | 0 | 108.2 | T1327 | I1325-T1327 VanDerWaalsContact C-N 3.35Å; I1325-T1327 PolarHBondContact O-N 2.94Å | ||
| 1326 | V | 30.6 | Very low | 45.9 | Very low | 110 Ų | 110 | 102.2 Ų | 102.2 | 67% | 0.667 | 56% | 0.555 | S | S | * | * | trans | -82 | 77.1 | -171.7 | -172.1 | 0 | 0 | 0 | 0 | 112 | C1324 E1328 | C1324-V1326 PolarHBondContact O-N 3.08Å; V1326-E1328 HydrophobicContact CG1-CB 3.85Å; V1326-E1328 HydrophobicContact CG1-CG 3.66Å; V1326-E1328 PolarHBondContact O-N 2.96Å; V1326-E1328 VanDerWaalsContact O-N 3.15Å | ||
| 1327 | T | 29.3 | Very low | 49 | Very low | 121 Ų | 121 | 94.6 Ų | 94.6 | 74% | 0.742 | 52% | 0.515 | S | S | * | . | trans | -79.1 | 67.4 | 153.5 | 54.2 | 0 | 0 | 0 | 0 | 109.3 | I1325 | I1325-T1327 VanDerWaalsContact C-N 3.35Å; I1325-T1327 PolarHBondContact O-N 2.94Å | ||
| 1328 | E | 40.8 | Very low | 52.1 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | trans | -59.6 | 134.3 | 170.3 | -109.3 | 177.2 | -155.9 | 0 | 0 | 109.6 | V1326 K1330 K1523 | V1326-E1328 HydrophobicContact CG1-CB 3.85Å; V1326-E1328 HydrophobicContact CG1-CG 3.66Å; V1326-E1328 PolarHBondContact O-N 2.96Å; V1326-E1328 VanDerWaalsContact O-N 3.15Å; E1328-K1330 PolarHBondContact O-N 2.69Å; E1328-K1523 IonicContact OE1-NZ 3.68Å; E1328-K1523 IonicContact OE2-NZ 2.69Å; E1328-K1523 PolarHBondContact OE2-NZ 2.88Å | ||
| 1329 | N | 47.3 | Very low | 55.1 | Low | 136 Ų | 136 | 83 Ų | 83 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | trans | -70.1 | 56.9 | -176.7 | -74.7 | -27.6 | 0 | 0 | 0 | 114 | N1312 Q1331 | N1312-N1329 PolarHBondContact ND2-O 3.16Å; N1329-Q1331 PolarHBondContact O-N 2.9Å | ||
| 1330 | K | 57.6 | Low | 57.8 | Low | 133 Ų | 133 | 75.7 Ų | 75.7 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | trans | -69.3 | 112 | 172.8 | -67 | 173.7 | -176 | 169.9 | 0 | 108.9 | E1328 | E1328-K1330 PolarHBondContact O-N 2.69Š| ||
| 1331 | Q | 70.5 | Confident | 59.9 | Low | 60 Ų | 60 | 68.7 Ų | 68.7 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | trans | -79.9 | 129.7 | 172.2 | -64.3 | 176.5 | -5 | 0 | 0 | 108.5 | N1309 T1310 N1329 F1333 | N1309-Q1331 WeakPolarHBondContact CA-O 3.42Å; T1310-Q1331 PolarHBondContact N-O 3.11Å; T1310-Q1331 PolarHBondContact OG1-O 2.74Å; N1329-Q1331 PolarHBondContact O-N 2.9Å; Q1331-F1333 HydrophobicContact CB-CD2 4.47Å; Q1331-F1333 HydrophobicContact CB-CE2 3.6Å; Q1331-F1333 HydrophobicContact CB-CZ 4.11Å; Q1331-F1333 WeakPolarHBondContact O-CD2 3.13Å; Q1331-F1333 WeakPolarHBondContact O-CE2 3.38Å | ||
| 1332 | Q | 78.3 | Confident | 61.8 | Low | 44 Ų | 44 | 65.2 Ų | 65.2 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 148.4 | 177.6 | -172.5 | 174.3 | 16.9 | 0 | 0 | 109.5 | W1308 N1309 N1358 P1359 F1455 | W1308-Q1332 CarbonylContact O-C 3.59Å; N1309-Q1332 WeakPolarHBondContact OD1-CA 3.41Å; N1309-Q1332 WeakPolarHBondContact OD1-CB 3.5Å; N1309-Q1332 WeakPolarHBondContact OD1-CG 3.22Å; Q1332-N1358 PolarHBondContact N-OD1 3.05Å; Q1332-N1358 WeakPolarHBondContact O-CA 3.49Å; Q1332-N1358 PolarHBondContact O-N 3.19Å; Q1332-N1358 PolarHBondContact O-OD1 3.42Å; Q1332-P1359 HydrophobicContact CG-CG 4.26Å; Q1332-F1455 VanDerWaalsContact CD-CZ 3.46Å; Q1332-F1455 VanDerWaalsContact NE2-CE2 3.33Å |
| 1333 | F | 84.4 | Confident | 63.1 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.7 | -177.8 | -66.3 | -99.8 | 0 | 0 | 0 | 110.7 | L1307 W1308 T1310 Q1331 I1356 Q1357 I1858 | L1307-F1333 WeakPolarHBondContact CA-O 3.5Å; W1308-F1333 HydrophobicContact CD2-CB 3.71Å; W1308-F1333 HydrophobicContact CD2-CD2 4.42Å; W1308-F1333 HydrophobicContact CD2-CG 4.3Å; W1308-F1333 AromaticContact CE2-CG 3.92Å; W1308-F1333 HydrophobicContact CE3-CB 4.19Å; W1308-F1333 HydrophobicContact CE3-CD2 4.02Å; W1308-F1333 HydrophobicContact CE3-CG 4.31Å; W1308-F1333 HydrophobicContact CG-CB 4.24Å; W1308-F1333 HydrophobicContact CH2-CB 3.88Å; W1308-F1333 AromaticContact CH2-CD1 3.84Å; W1308-F1333 HydrophobicContact CH2-CD1 3.84Å; W1308-F1333 AromaticContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CD2 3.64Å; W1308-F1333 HydrophobicContact CH2-CE1 4.24Å; W1308-F1333 HydrophobicContact CH2-CE2 4.1Å; W1308-F1333 AromaticContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CG 3.51Å; W1308-F1333 HydrophobicContact CH2-CZ 4.37Å; W1308-F1333 HydrophobicContact CZ2-CB 3.41Å; W1308-F1333 VanDerWaalsContact CZ2-CB 3.41Å; W1308-F1333 AromaticContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD1 3.85Å; W1308-F1333 HydrophobicContact CZ2-CD2 4.11Å; W1308-F1333 AromaticContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ2-CG 3.53Å; W1308-F1333 HydrophobicContact CZ3-CB 4.25Å; W1308-F1333 AromaticContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CD2 3.6Å; W1308-F1333 HydrophobicContact CZ3-CE2 4.08Å; W1308-F1333 AromaticContact CZ3-CG 3.93Å; W1308-F1333 HydrophobicContact CZ3-CG 3.93Å; W1308-F1333 PolarHBondContact N-O 3.19Å; W1308-F1333 PolarHBondContact O-N 2.89Å; T1310-F1333 HydrophobicContact CG2-CD2 4.29Å; T1310-F1333 HydrophobicContact CG2-CE2 3.5Å; T1310-F1333 HydrophobicContact CG2-CZ 4.1Å; Q1331-F1333 HydrophobicContact CB-CD2 4.47Å; Q1331-F1333 HydrophobicContact CB-CE2 3.6Å; Q1331-F1333 HydrophobicContact CB-CZ 4.11Å; Q1331-F1333 WeakPolarHBondContact O-CD2 3.13Å; Q1331-F1333 WeakPolarHBondContact O-CE2 3.38Å; F1333-I1356 CarbonylContact C-O 3.54Å; F1333-I1356 WeakPolarHBondContact CA-O 3.17Å; F1333-Q1357 HydrophobicContact CD1-CB 3.88Å; F1333-Q1357 HydrophobicContact CD1-CG 4.15Å; F1333-Q1357 HydrophobicContact CE1-CB 3.66Å; F1333-Q1357 HydrophobicContact CE1-CG 3.58Å; F1333-Q1357 HydrophobicContact CZ-CB 4.38Å; F1333-Q1357 HydrophobicContact CZ-CG 3.79Å; F1333-I1858 HydrophobicContact CD1-CG1 4.2Å; F1333-I1858 HydrophobicContact CE1-CD1 4.07Å; F1333-I1858 HydrophobicContact CE1-CG1 3.78Å |
| 1334 | A | 87.7 | Confident | 64.4 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1305 E1306 L1307 S1355 I1356 P1359 L1364 | I1305-A1334 HydrophobicContact CG2-CB 4.26Å; E1306-A1334 WeakPolarHBondContact O-CA 3.49Å; L1307-A1334 HydrophobicContact CD2-CB 3.87Å; A1334-S1355 WeakPolarHBondContact O-CA 3.17Å; A1334-I1356 HydrophobicContact CB-CB 4.47Å; A1334-I1356 PolarHBondContact N-O 2.85Å; A1334-I1356 PolarHBondContact O-N 3.23Å; A1334-P1359 HydrophobicContact CB-CB 3.78Å; A1334-P1359 HydrophobicContact CB-CG 3.97Å; A1334-L1364 HydrophobicContact CB-CD2 4.08Å |
| 1335 | N | 89 | Confident | 65.4 | Low | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.6 | 171.8 | -67.8 | -12.5 | 0 | 0 | 0 | 108.7 | S1304 I1305 E1306 W1308 L1352 N1861 | S1304-N1335 VanDerWaalsContact O-O 3.13Å; I1305-N1335 WeakPolarHBondContact CA-O 3.33Å; E1306-N1335 HydrophobicContact CB-CB 4.13Å; E1306-N1335 PolarHBondContact N-O 2.88Å; E1306-N1335 PolarHBondContact O-N 3.46Å; E1306-N1335 PolarHBondContact OE2-ND2 3.4Å; W1308-N1335 PolarHBondContact NE1-ND2 3.2Å; W1308-N1335 VanDerWaalsContact NE1-ND2 3.19Å; W1308-N1335 PolarHBondContact NE1-OD1 2.99Å; N1335-L1352 HydrophobicContact CB-CD1 3.74Å; N1335-N1861 PolarHBondContact OD1-ND2 3.49Å |
| 1336 | I | 92.2 | Very high | 66.7 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 99.9 | 176.9 | -56.7 | 172.2 | 0 | 0 | 0 | 108.3 | F1303 S1304 I1305 Y1353 K1354 I1356 L1364 V1367 M1368 | F1303-I1336 HydrophobicContact CD1-CG2 4.19Å; S1304-I1336 WeakPolarHBondContact O-CA 3.28Å; I1305-I1336 HydrophobicContact CG1-CG1 4.36Å; I1336-Y1353 WeakPolarHBondContact O-CA 3.36Å; I1336-Y1353 PolarHBondContact O-N 3.16Å; I1336-K1354 PolarHBondContact N-O 2.71Å; I1336-K1354 PolarHBondContact O-N 3.43Å; I1336-K1354 VanDerWaalsContact O-N 3.12Å; I1336-I1356 HydrophobicContact CD1-CD1 3.61Å; I1336-I1356 HydrophobicContact CD1-CG1 4.28Å; I1336-L1364 HydrophobicContact CD1-CD2 4.03Å; I1336-L1364 HydrophobicContact CG1-CD2 4.49Å; I1336-V1367 HydrophobicContact CD1-CB 4.11Å; I1336-V1367 HydrophobicContact CD1-CG1 3.75Å; I1336-M1368 HydrophobicContact CG2-CG 4.41Å |
| 1337 | G | 91.3 | Very high | 68 | Low | 4 Ų | 4 | 49.5 Ų | 49.5 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 152.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1303 S1304 Y1351 | F1303-G1337 CarbonylContact C-O 3.6Å; F1303-G1337 VanDerWaalsContact CA-O 3.26Å; F1303-G1337 WeakPolarHBondContact CA-O 3.27Å; S1304-G1337 PolarHBondContact N-O 2.91Å; S1304-G1337 PolarHBondContact O-N 3.29Å; S1304-G1337 WeakPolarHBondContact OG-CA 3.28Å; G1337-Y1351 CarbonylContact C-O 3.5Å; G1337-Y1351 WeakPolarHBondContact CA-O 3.44Å |
| 1338 | I | 91.2 | Very high | 69.8 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.6 | 172.7 | -175.6 | 175 | 0 | 0 | 0 | 110.4 | L1287 F1301 F1303 Y1340 N1350 Y1351 L1375 | L1287-I1338 HydrophobicContact CD2-CD1 4.1Å; F1301-I1338 HydrophobicContact CB-CD1 4.25Å; F1301-I1338 HydrophobicContact CB-CG1 4.36Å; F1301-I1338 HydrophobicContact CD2-CD1 4.25Å; F1301-I1338 HydrophobicContact CG-CD1 4.46Å; F1303-I1338 HydrophobicContact CD1-CB 4.14Å; F1303-I1338 HydrophobicContact CD1-CG1 4.38Å; F1303-I1338 HydrophobicContact CE1-CB 4.23Å; F1303-I1338 HydrophobicContact CE1-CD1 4.31Å; F1303-I1338 HydrophobicContact CE1-CG1 4.29Å; I1338-Y1340 HydrophobicContact CD1-CD1 4.23Å; I1338-Y1340 HydrophobicContact CG1-CD1 4.24Å; I1338-N1350 WeakPolarHBondContact O-CA 3.37Å; I1338-Y1351 PolarHBondContact N-O 3.43Å; I1338-Y1351 PolarHBondContact O-N 2.65Å; I1338-L1375 HydrophobicContact CD1-CD1 3.6Å |
| 1339 | H | 87.6 | Confident | 71.4 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.1 | 179.2 | -56 | -98.7 | 0 | 0 | 0 | 109.1 | F1301 S1302 S1304 H1349 N1350 | F1301-H1339 CarbonylContact C-O 3.12Å; F1301-H1339 VanDerWaalsContact CA-O 3.24Å; F1301-H1339 WeakPolarHBondContact CA-O 3.48Å; S1302-H1339 PolarHBondContact N-O 2.86Å; S1302-H1339 PolarHBondContact O-N 3.29Å; S1304-H1339 WeakPolarHBondContact CB-NE2 3.38Å; S1304-H1339 PolarHBondContact OG-NE2 3.47Å; H1339-H1349 WeakPolarHBondContact CA-O 3.45Å; H1339-N1350 PolarHBondContact ND1-ND2 3.03Å; H1339-N1350 PolarHBondContact ND1-OD1 3.14Å |
| 1340 | Y | 82.4 | Confident | 73.1 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 160.3 | 178.4 | 66.8 | -110.7 | 0 | 0 | 0 | 113.7 | L1287 R1290 I1338 T1348 H1349 Y1351 | L1287-Y1340 HydrophobicContact CD2-CD1 4.36Å; L1287-Y1340 HydrophobicContact CD2-CE1 3.67Å; R1290-Y1340 HydrophobicContact CG-CE2 4.42Å; R1290-Y1340 VanDerWaalsContact NE-CE2 3.3Å; R1290-Y1340 VanDerWaalsContact NH1-CD2 3.32Å; R1290-Y1340 VanDerWaalsContact NH2-CG 3.28Å; I1338-Y1340 HydrophobicContact CD1-CD1 4.23Å; I1338-Y1340 HydrophobicContact CG1-CD1 4.24Å; Y1340-T1348 CarbonylContact O-C 3.51Å; Y1340-T1348 WeakPolarHBondContact O-CA 3.21Å; Y1340-H1349 HydrophobicContact CD1-CB 4.41Å; Y1340-H1349 HydrophobicContact CD2-CB 3.79Å; Y1340-H1349 HydrophobicContact CE1-CB 4.12Å; Y1340-H1349 HydrophobicContact CE2-CB 3.44Å; Y1340-H1349 VanDerWaalsContact CE2-CB 3.44Å; Y1340-H1349 AromaticContact CE2-CG 3.53Å; Y1340-H1349 AromaticContact CE2-ND1 3.63Å; Y1340-H1349 HydrophobicContact CG-CB 4.29Å; Y1340-H1349 PolarHBondContact N-O 3.37Å; Y1340-H1349 PolarHBondContact O-N 3.47Å; Y1340-Y1351 AromaticContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CE2 4.08Å; Y1340-Y1351 AromaticContact CZ-CE2 3.86Å; Y1340-Y1351 WeakPolarHBondContact OH-CE2 3.44Å |
| 1341 | N | 71.5 | Confident | 74.5 | Confident | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.102 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 150 | 169.9 | -170 | 24.4 | 0 | 0 | 0 | 111.5 | R1290 I1347 Y1762 | R1290-N1341 PolarHBondContact NH1-O 3.06Å; N1341-I1347 PolarHBondContact OD1-O 3.06Å; N1341-Y1762 HydrophobicContact CB-CD1 4Å; N1341-Y1762 HydrophobicContact CB-CE1 3.94Å; N1341-Y1762 WeakPolarHBondContact ND2-CD1 3.37Å |
| 1342 | S | 65.1 | Low | 75.4 | Confident | 26 Ų | 26 | 32.7 Ų | 32.7 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | trans | -112.8 | 162.7 | 167.5 | 92.1 | 0 | 0 | 0 | 0 | 111.3 | P1345 I1347 H1349 | S1342-P1345 PolarHBondContact OG-O 3.37Å; S1342-P1345 VanDerWaalsContact OG-O 3.11Å; S1342-I1347 PolarHBondContact N-O 3.25Å; S1342-H1349 PolarHBondContact OG-CE1 3.2Å | ||
| 1343 | S | 54.8 | Low | 76 | Confident | 30 Ų | 30 | 30.9 Ų | 30.9 | 21% | 0.21 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -83.8 | -16.2 | -170 | 59.9 | 0 | 0 | 0 | 0 | 115 | S1294 Q1766 | S1294-S1343 WeakPolarHBondContact CB-OG 3.37Å; S1343-Q1766 PolarHBondContact O-NE2 3.29Å |
| 1344 | Q | 51.5 | Low | 76.4 | Confident | 165 Ų | 165 | 33.1 Ų | 33.1 | 77% | 0.771 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -171 | 122.2 | 176.5 | -114.8 | 158.9 | 10.3 | 0 | 0 | 111.3 | ||
| 1345 | P | 45.1 | Very low | 76.5 | Confident | 90 Ų | 90 | 33.5 Ų | 33.5 | 58% | 0.584 | 18% | 0.18 | S | C | * | . | S | Bend | cis | -61.1 | 167.2 | -15.8 | -12.7 | 28.7 | 0 | 0 | 0 | 111.2 | S1342 I1347 | S1342-P1345 PolarHBondContact OG-O 3.37Å; S1342-P1345 VanDerWaalsContact OG-O 3.11Å; P1345-I1347 VanDerWaalsContact C-N 3.34Å; P1345-I1347 HydrophobicContact CB-CD1 4.18Å; P1345-I1347 HydrophobicContact CB-CG1 4.18Å; P1345-I1347 HydrophobicContact CG-CD1 4.1Å; P1345-I1347 PolarHBondContact O-N 3.03Å |
| 1346 | T | 52.7 | Low | 76.5 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | trans | -72.1 | 93.3 | 169.7 | 47 | 0 | 0 | 0 | 0 | 109.2 | D1760 Q1763 | T1346-D1760 PolarHBondContact OG1-OD2 3.09Å; T1346-Q1763 HydrophobicContact CG2-CG 4.39Å; T1346-Q1763 WeakPolarHBondContact OG1-CG 3.47Å; T1346-Q1763 PolarHBondContact OG1-NE2 2.9Å | ||
| 1347 | I | 58.2 | Low | 76.2 | Confident | 78 Ų | 78 | 37.9 Ų | 37.9 | 40% | 0.4 | 20% | 0.201 | S | C | . | . | trans | -116.4 | 123.2 | 175 | -65.9 | 167.7 | 0 | 0 | 0 | 106.9 | N1341 S1342 P1345 H1349 | N1341-I1347 PolarHBondContact OD1-O 3.06Å; S1342-I1347 PolarHBondContact N-O 3.25Å; P1345-I1347 VanDerWaalsContact C-N 3.34Å; P1345-I1347 HydrophobicContact CB-CD1 4.18Å; P1345-I1347 HydrophobicContact CB-CG1 4.18Å; P1345-I1347 HydrophobicContact CG-CD1 4.1Å; P1345-I1347 PolarHBondContact O-N 3.03Å; I1347-H1349 PolarHBondContact O-CE1 3.35Å; I1347-H1349 PolarHBondContact O-N 3.21Å; I1347-H1349 PolarHBondContact O-ND1 3.22Å | ||
| 1348 | T | 66.7 | Low | 76.1 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 108.5 | 161 | 47.1 | 0 | 0 | 0 | 0 | 108 | Y1340 I1601 Y1762 | Y1340-T1348 CarbonylContact O-C 3.51Å; Y1340-T1348 WeakPolarHBondContact O-CA 3.21Å; T1348-I1601 HydrophobicContact CG2-CG2 4.42Å; T1348-Y1762 HydrophobicContact CG2-CD2 4.02Å; T1348-Y1762 HydrophobicContact CG2-CE2 3.24Å |
| 1349 | H | 73.7 | Confident | 76 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 18% | 0.181 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121 | 176.9 | -62.3 | 74.6 | 0 | 0 | 0 | 108.8 | H1339 Y1340 S1342 I1347 Y1351 | H1339-H1349 WeakPolarHBondContact CA-O 3.45Å; Y1340-H1349 HydrophobicContact CD1-CB 4.41Å; Y1340-H1349 HydrophobicContact CD2-CB 3.79Å; Y1340-H1349 HydrophobicContact CE1-CB 4.12Å; Y1340-H1349 HydrophobicContact CE2-CB 3.44Å; Y1340-H1349 VanDerWaalsContact CE2-CB 3.44Å; Y1340-H1349 AromaticContact CE2-CG 3.53Å; Y1340-H1349 AromaticContact CE2-ND1 3.63Å; Y1340-H1349 HydrophobicContact CG-CB 4.29Å; Y1340-H1349 PolarHBondContact N-O 3.37Å; Y1340-H1349 PolarHBondContact O-N 3.47Å; S1342-H1349 PolarHBondContact OG-CE1 3.2Å; I1347-H1349 PolarHBondContact O-CE1 3.35Å; I1347-H1349 PolarHBondContact O-N 3.21Å; I1347-H1349 PolarHBondContact O-ND1 3.22Å; H1349-Y1351 HydrophobicContact CB-CD2 4.06Å; H1349-Y1351 HydrophobicContact CB-CE2 3.6Å; H1349-Y1351 AromaticContact CD2-CE2 3.94Å; H1349-Y1351 PolarHBondContact CD2-OH 3.3Å |
| 1350 | N | 82.7 | Confident | 76.1 | Confident | 59 Ų | 59 | 44.8 Ų | 44.8 | 32% | 0.316 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 96.9 | -176.6 | -59.2 | -1.9 | 0 | 0 | 0 | 107.4 | I1338 H1339 | I1338-N1350 WeakPolarHBondContact O-CA 3.37Å; H1339-N1350 PolarHBondContact ND1-ND2 3.03Å; H1339-N1350 PolarHBondContact ND1-OD1 3.14Å |
| 1351 | Y | 87.3 | Confident | 76.5 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149 | -175.8 | -67.9 | -72 | 0 | 0 | 0 | 111.1 | L1283 G1337 I1338 Y1340 H1349 Y1353 H1868 L1869 | L1283-Y1351 HydrophobicContact CD1-CD1 3.84Å; L1283-Y1351 HydrophobicContact CD1-CD2 3.64Å; L1283-Y1351 HydrophobicContact CD1-CE1 4.24Å; L1283-Y1351 HydrophobicContact CD1-CE2 4.05Å; L1283-Y1351 HydrophobicContact CD1-CG 3.51Å; G1337-Y1351 CarbonylContact C-O 3.5Å; G1337-Y1351 WeakPolarHBondContact CA-O 3.44Å; I1338-Y1351 PolarHBondContact N-O 3.43Å; I1338-Y1351 PolarHBondContact O-N 2.65Å; Y1340-Y1351 AromaticContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CD2 3.91Å; Y1340-Y1351 HydrophobicContact CE1-CE2 4.08Å; Y1340-Y1351 AromaticContact CZ-CE2 3.86Å; Y1340-Y1351 WeakPolarHBondContact OH-CE2 3.44Å; H1349-Y1351 HydrophobicContact CB-CD2 4.06Å; H1349-Y1351 HydrophobicContact CB-CE2 3.6Å; H1349-Y1351 AromaticContact CD2-CE2 3.94Å; H1349-Y1351 PolarHBondContact CD2-OH 3.3Å; Y1351-Y1353 PolarHBondContact O-N 2.91Å; Y1351-H1868 AromaticContact CD1-NE2 3.6Å; Y1351-H1868 AromaticContact CE1-NE2 3.17Å; Y1351-H1868 WeakPolarHBondContact CE1-NE2 3.19Å; Y1351-L1869 HydrophobicContact CD1-CD1 4.05Å; Y1351-L1869 HydrophobicContact CD1-CG 4.45Å; Y1351-L1869 HydrophobicContact CE1-CD1 3.72Å; Y1351-L1869 HydrophobicContact CE1-CD2 3.7Å; Y1351-L1869 HydrophobicContact CE1-CG 3.79Å |
| 1352 | L | 90.2 | Very high | 77.5 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.1 | 162.7 | -168.6 | 75.8 | 0 | 0 | 0 | 108.4 | N1335 Y1862 H1865 N1866 | N1335-L1352 HydrophobicContact CB-CD1 3.74Å; L1352-Y1862 HydrophobicContact CD2-CD2 4.11Å; L1352-Y1862 HydrophobicContact CG-CD2 4.43Å; L1352-Y1862 WeakPolarHBondContact O-CE2 3.1Å; L1352-H1865 HydrophobicContact CB-CB 3.7Å; L1352-H1865 HydrophobicContact CD2-CB 4.38Å; L1352-N1866 PolarHBondContact N-OD1 2.64Å; L1352-N1866 PolarHBondContact O-ND2 3.07Å |
| 1353 | Y | 91.7 | Very high | 78.8 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -38.5 | 179 | -179.9 | -103.7 | 0 | 0 | 0 | 112.1 | L1283 L1287 I1336 Y1351 V1367 C1371 Y1862 | L1283-Y1353 HydrophobicContact CD2-CD2 4.49Å; L1287-Y1353 HydrophobicContact CD1-CD2 3.73Å; L1287-Y1353 HydrophobicContact CD1-CE2 3.77Å; I1336-Y1353 WeakPolarHBondContact O-CA 3.36Å; I1336-Y1353 PolarHBondContact O-N 3.16Å; Y1351-Y1353 PolarHBondContact O-N 2.91Å; Y1353-V1367 HydrophobicContact CD1-CG1 3.73Å; Y1353-V1367 HydrophobicContact CE1-CG1 3.69Å; Y1353-V1367 VanDerWaalsContact CE1-O 3.3Å; Y1353-V1367 WeakPolarHBondContact CE1-O 3.48Å; Y1353-C1371 HydrophobicContact CD1-CB 3.81Å; Y1353-C1371 HydrophobicContact CD2-CB 4.34Å; Y1353-C1371 VanDerWaalsContact CD2-SG 3.53Å; Y1353-C1371 HydrophobicContact CE1-CB 3.46Å; Y1353-C1371 VanDerWaalsContact CE1-CB 3.46Å; Y1353-C1371 HydrophobicContact CE2-CB 4.03Å; Y1353-C1371 HydrophobicContact CG-CB 4.23Å; Y1353-C1371 PolarHBondContact OH-N 3.35Å; Y1353-Y1862 WeakPolarHBondContact O-CE2 3.4Å |
| 1354 | K | 91.9 | Very high | 80.5 | Confident | 46 Ų | 46 | 52 Ų | 52 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 161.5 | 170.3 | -144.5 | 64.8 | 173 | 173.1 | 0 | 112.2 | Y1276 E1280 I1336 V1367 | Y1276-K1354 WeakPolarHBondContact OH-CE 3.31Å; Y1276-K1354 PolarHBondContact OH-NZ 2.87Å; E1280-K1354 IonicContact OE1-NZ 3.28Å; E1280-K1354 PolarHBondContact OE1-NZ 2.99Å; E1280-K1354 IonicContact OE2-NZ 3.06Å; E1280-K1354 PolarHBondContact OE2-NZ 2.99Å; I1336-K1354 PolarHBondContact N-O 2.71Å; I1336-K1354 PolarHBondContact O-N 3.43Å; I1336-K1354 VanDerWaalsContact O-N 3.12Å; K1354-V1367 HydrophobicContact CB-CG1 3.68Å; K1354-V1367 HydrophobicContact CG-CG1 4.32Å |
| 1355 | S | 89.1 | Confident | 82.4 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.6 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | A1334 I1858 N1861 | A1334-S1355 WeakPolarHBondContact O-CA 3.17Å; S1355-I1858 WeakPolarHBondContact O-CG2 3.41Å; S1355-N1861 WeakPolarHBondContact CB-ND2 3.22Å; S1355-N1861 PolarHBondContact OG-ND2 2.64Å |
| 1356 | I | 88.8 | Confident | 84.7 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142.1 | -177.9 | -60.3 | -177.9 | 0 | 0 | 0 | 109.1 | F1333 A1334 I1336 P1359 N1363 L1364 V1367 | F1333-I1356 CarbonylContact C-O 3.54Å; F1333-I1356 WeakPolarHBondContact CA-O 3.17Å; A1334-I1356 HydrophobicContact CB-CB 4.47Å; A1334-I1356 PolarHBondContact N-O 2.85Å; A1334-I1356 PolarHBondContact O-N 3.23Å; I1336-I1356 HydrophobicContact CD1-CD1 3.61Å; I1336-I1356 HydrophobicContact CD1-CG1 4.28Å; I1356-P1359 HydrophobicContact CG2-CB 4.44Å; I1356-N1363 HydrophobicContact CD1-CB 4.44Å; I1356-N1363 WeakPolarHBondContact CD1-O 3.24Å; I1356-L1364 HydrophobicContact CD1-CD2 4.33Å; I1356-V1367 HydrophobicContact CD1-CB 4.31Å; I1356-V1367 HydrophobicContact CD1-CG2 3.92Å |
| 1357 | Q | 87.2 | Confident | 86.5 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.3 | 169 | -176.1 | -178 | 36 | 0 | 0 | 109.1 | F1333 I1858 | F1333-Q1357 HydrophobicContact CD1-CB 3.88Å; F1333-Q1357 HydrophobicContact CD1-CG 4.15Å; F1333-Q1357 HydrophobicContact CE1-CB 3.66Å; F1333-Q1357 HydrophobicContact CE1-CG 3.58Å; F1333-Q1357 HydrophobicContact CZ-CB 4.38Å; F1333-Q1357 HydrophobicContact CZ-CG 3.79Å; Q1357-I1858 HydrophobicContact CB-CD1 3.9Å |
| 1358 | N | 88 | Confident | 88.1 | Confident | 87 Ų | 87 | 43.9 Ų | 43.9 | 47% | 0.465 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 47 | 68.1 | -174 | -60 | -27.5 | 0 | 0 | 0 | 112.1 | Q1332 N1363 | Q1332-N1358 PolarHBondContact N-OD1 3.05Å; Q1332-N1358 WeakPolarHBondContact O-CA 3.49Å; Q1332-N1358 PolarHBondContact O-N 3.19Å; Q1332-N1358 PolarHBondContact O-OD1 3.42Å; N1358-N1363 PolarHBondContact O-ND2 3.35Å |
| 1359 | P | 89.1 | Confident | 89.2 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | trans | -61.5 | 139.2 | -176.5 | 27 | -35.9 | 0 | 0 | 0 | 112.3 | L1307 Q1332 A1334 I1356 L1364 F1455 | L1307-P1359 HydrophobicContact CD2-CG 3.87Å; Q1332-P1359 HydrophobicContact CG-CG 4.26Å; A1334-P1359 HydrophobicContact CB-CB 3.78Å; A1334-P1359 HydrophobicContact CB-CG 3.97Å; I1356-P1359 HydrophobicContact CG2-CB 4.44Å; P1359-L1364 HydrophobicContact CB-CD1 4.31Å; P1359-L1364 HydrophobicContact CB-CD2 4.03Å; P1359-L1364 HydrophobicContact CB-CG 4.18Å; P1359-F1455 HydrophobicContact CG-CE1 4.1Å; P1359-F1455 HydrophobicContact CG-CZ 4.24Å | ||
| 1360 | N | 91.2 | Very high | 90 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | trans | -140 | 171.4 | 175.8 | 66.8 | 51.6 | 0 | 0 | 0 | 110.2 | T1362 N1363 L1364 | N1360-T1362 VanDerWaalsContact C-N 3.29Å; N1360-T1362 PolarHBondContact O-N 3.01Å; N1360-T1362 PolarHBondContact OD1-N 2.8Å; N1360-N1363 PolarHBondContact N-OD1 3.04Å; N1360-N1363 PolarHBondContact ND2-ND2 3.25Å; N1360-N1363 PolarHBondContact O-N 2.99Å; N1360-N1363 PolarHBondContact O-OD1 3.28Å; N1360-N1363 PolarHBondContact OD1-N 3.24Å; N1360-L1364 WeakPolarHBondContact O-CB 3.22Å; N1360-L1364 VanDerWaalsContact O-CG 3.27Å; N1360-L1364 WeakPolarHBondContact O-CG 3.37Å; N1360-L1364 PolarHBondContact O-N 3.29Å; N1360-L1364 VanDerWaalsContact O-N 3.12Å | ||
| 1361 | R | 91.2 | Very high | 90.3 | Very high | 92 Ų | 92 | 44.7 Ų | 44.7 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.7 | -45.4 | -177.3 | -175.6 | 171.5 | 176.4 | 150.9 | -5.6 | 112.6 | L1365 L1459 E1464 | R1361-L1365 HydrophobicContact CG-CD1 3.74Å; R1361-L1365 HydrophobicContact CG-CG 4.45Å; R1361-L1365 WeakPolarHBondContact O-CB 3.48Å; R1361-L1365 VanDerWaalsContact O-CG 3.3Å; R1361-L1365 WeakPolarHBondContact O-CG 3.32Å; R1361-L1365 PolarHBondContact O-N 3.17Å; R1361-L1365 VanDerWaalsContact O-N 3.12Å; R1361-L1459 WeakPolarHBondContact CB-O 3.41Å; R1361-L1459 WeakPolarHBondContact CD-O 3.46Å; R1361-L1459 WeakPolarHBondContact CG-O 3.36Å; R1361-E1464 IonicContact CZ-OE2 2.79Å; R1361-E1464 VanDerWaalsContact CZ-OE2 3.24Å; R1361-E1464 IonicContact NH1-OE2 3.94Å; R1361-E1464 PolarHBondContact NH1-OE2 3.16Å; R1361-E1464 IonicContact NH2-OE2 3.8Å; R1361-E1464 PolarHBondContact NH2-OE2 3.16Å |
| 1362 | T | 90.8 | Very high | 90.1 | Very high | 106 Ų | 106 | 47.6 Ų | 47.6 | 65% | 0.65 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.9 | -50.3 | -174.3 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | N1360 L1365 E1366 | N1360-T1362 VanDerWaalsContact C-N 3.29Å; N1360-T1362 PolarHBondContact O-N 3.01Å; N1360-T1362 PolarHBondContact OD1-N 2.8Å; T1362-L1365 PolarHBondContact O-N 3.5Å; T1362-E1366 WeakPolarHBondContact O-CB 3.37Å; T1362-E1366 PolarHBondContact O-N 3.34Å |
| 1363 | N | 92.5 | Very high | 89.8 | Confident | 36 Ų | 36 | 53.5 Ų | 53.5 | 19% | 0.193 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.1 | -29.4 | -175.8 | 68.6 | 19.1 | 0 | 0 | 0 | 113.2 | I1356 N1358 N1360 V1367 | I1356-N1363 HydrophobicContact CD1-CB 4.44Å; I1356-N1363 WeakPolarHBondContact CD1-O 3.24Å; N1358-N1363 PolarHBondContact O-ND2 3.35Å; N1360-N1363 PolarHBondContact N-OD1 3.04Å; N1360-N1363 PolarHBondContact ND2-ND2 3.25Å; N1360-N1363 PolarHBondContact O-N 2.99Å; N1360-N1363 PolarHBondContact O-OD1 3.28Å; N1360-N1363 PolarHBondContact OD1-N 3.24Å; N1363-V1367 WeakPolarHBondContact O-CG2 3.44Å; N1363-V1367 PolarHBondContact O-N 3.13Å |
| 1364 | L | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.3 | -52.7 | 170.1 | -69.4 | 173.7 | 0 | 0 | 0 | 111.1 | A1334 I1336 I1356 P1359 N1360 V1367 M1368 L1456 L1459 I1460 | A1334-L1364 HydrophobicContact CB-CD2 4.08Å; I1336-L1364 HydrophobicContact CD1-CD2 4.03Å; I1336-L1364 HydrophobicContact CG1-CD2 4.49Å; I1356-L1364 HydrophobicContact CD1-CD2 4.33Å; P1359-L1364 HydrophobicContact CB-CD1 4.31Å; P1359-L1364 HydrophobicContact CB-CD2 4.03Å; P1359-L1364 HydrophobicContact CB-CG 4.18Å; N1360-L1364 WeakPolarHBondContact O-CB 3.22Å; N1360-L1364 VanDerWaalsContact O-CG 3.27Å; N1360-L1364 WeakPolarHBondContact O-CG 3.37Å; N1360-L1364 PolarHBondContact O-N 3.29Å; N1360-L1364 VanDerWaalsContact O-N 3.12Å; L1364-V1367 PolarHBondContact O-N 2.8Å; L1364-M1368 WeakPolarHBondContact O-CB 3.23Å; L1364-M1368 VanDerWaalsContact O-CG 3.31Å; L1364-M1368 WeakPolarHBondContact O-CG 3.36Å; L1364-M1368 PolarHBondContact O-N 2.96Å; L1364-M1368 VanDerWaalsContact O-N 3.07Å; L1364-L1456 HydrophobicContact CD1-CD1 3.93Å; L1364-L1459 HydrophobicContact CD1-CB 4.36Å; L1364-L1459 HydrophobicContact CD1-CD1 3.65Å; L1364-I1460 HydrophobicContact CB-CD1 4.11Å; L1364-I1460 HydrophobicContact CD1-CD1 4.06Å; L1364-I1460 HydrophobicContact CD1-CG1 4.43Å |
| 1365 | L | 90.9 | Very high | 88.7 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | -177.9 | -70.7 | 176.5 | 0 | 0 | 0 | 112.3 | R1361 T1362 V1367 M1368 D1369 I1460 I1467 | R1361-L1365 HydrophobicContact CG-CD1 3.74Å; R1361-L1365 HydrophobicContact CG-CG 4.45Å; R1361-L1365 WeakPolarHBondContact O-CB 3.48Å; R1361-L1365 VanDerWaalsContact O-CG 3.3Å; R1361-L1365 WeakPolarHBondContact O-CG 3.32Å; R1361-L1365 PolarHBondContact O-N 3.17Å; R1361-L1365 VanDerWaalsContact O-N 3.12Å; T1362-L1365 PolarHBondContact O-N 3.5Å; L1365-V1367 PolarHBondContact O-N 3.36Å; L1365-M1368 HydrophobicContact CD2-CE 4.47Å; L1365-M1368 PolarHBondContact O-N 3.43Å; L1365-D1369 WeakPolarHBondContact O-CB 3.28Å; L1365-D1369 PolarHBondContact O-N 2.79Å; L1365-I1460 HydrophobicContact CD2-CD1 4.34Å; L1365-I1460 HydrophobicContact CD2-CG2 4.23Å; L1365-I1467 HydrophobicContact CD2-CD1 4.15Å |
| 1366 | E | 92.3 | Very high | 88 | Confident | 124 Ų | 124 | 55.4 Ų | 55.4 | 58% | 0.579 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.7 | -48.2 | 177.4 | -172 | -160.2 | 146.6 | 0 | 0 | 111.7 | T1362 K1370 | T1362-E1366 WeakPolarHBondContact O-CB 3.37Å; T1362-E1366 PolarHBondContact O-N 3.34Å; E1366-K1370 WeakPolarHBondContact O-CB 3.36Å; E1366-K1370 PolarHBondContact O-N 2.8Å |
| 1367 | V | 92.2 | Very high | 86.9 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | -179.3 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I1336 Y1353 K1354 I1356 N1363 L1364 L1365 C1371 | I1336-V1367 HydrophobicContact CD1-CB 4.11Å; I1336-V1367 HydrophobicContact CD1-CG1 3.75Å; Y1353-V1367 HydrophobicContact CD1-CG1 3.73Å; Y1353-V1367 HydrophobicContact CE1-CG1 3.69Å; Y1353-V1367 VanDerWaalsContact CE1-O 3.3Å; Y1353-V1367 WeakPolarHBondContact CE1-O 3.48Å; K1354-V1367 HydrophobicContact CB-CG1 3.68Å; K1354-V1367 HydrophobicContact CG-CG1 4.32Å; I1356-V1367 HydrophobicContact CD1-CB 4.31Å; I1356-V1367 HydrophobicContact CD1-CG2 3.92Å; N1363-V1367 WeakPolarHBondContact O-CG2 3.44Å; N1363-V1367 PolarHBondContact O-N 3.13Å; L1364-V1367 PolarHBondContact O-N 2.8Å; L1365-V1367 PolarHBondContact O-N 3.36Å; V1367-C1371 PolarHBondContact O-N 2.99Å |
| 1368 | M | 90.8 | Very high | 85.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 178.2 | -73.7 | 163.3 | 45 | 0 | 0 | 112.7 | F1303 I1305 I1336 L1364 L1365 C1371 R1372 I1448 I1467 | F1303-M1368 HydrophobicContact CD2-CE 4.33Å; F1303-M1368 HydrophobicContact CD2-CG 4.23Å; F1303-M1368 HydrophobicContact CE2-CB 4.05Å; F1303-M1368 HydrophobicContact CE2-CE 4.5Å; F1303-M1368 HydrophobicContact CE2-CG 4.08Å; F1303-M1368 HydrophobicContact CZ-CB 4.28Å; F1303-M1368 HydrophobicContact CZ-CG 4.36Å; I1305-M1368 HydrophobicContact CD1-SD 3.86Å; I1336-M1368 HydrophobicContact CG2-CG 4.41Å; L1364-M1368 WeakPolarHBondContact O-CB 3.23Å; L1364-M1368 VanDerWaalsContact O-CG 3.31Å; L1364-M1368 WeakPolarHBondContact O-CG 3.36Å; L1364-M1368 PolarHBondContact O-N 2.96Å; L1364-M1368 VanDerWaalsContact O-N 3.07Å; L1365-M1368 HydrophobicContact CD2-CE 4.47Å; L1365-M1368 PolarHBondContact O-N 3.43Å; M1368-C1371 WeakPolarHBondContact O-CB 3.24Å; M1368-C1371 PolarHBondContact O-N 3.48Å; M1368-R1372 WeakPolarHBondContact O-CB 3.28Å; M1368-R1372 PolarHBondContact O-N 3.49Å; M1368-I1448 HydrophobicContact CE-CD1 3.39Å; M1368-I1448 HydrophobicContact SD-CD1 4.23Å; M1368-I1467 HydrophobicContact CE-CD1 3.49Å; M1368-I1467 VanDerWaalsContact CE-CD1 3.49Å; M1368-I1467 HydrophobicContact CE-CG1 4.46Å |
| 1369 | D | 89.3 | Confident | 83.8 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.3 | -34.4 | 177.8 | -89.3 | -31.9 | 0 | 0 | 0 | 111.9 | L1365 R1372 Q1373 | L1365-D1369 WeakPolarHBondContact O-CB 3.28Å; L1365-D1369 PolarHBondContact O-N 2.79Å; D1369-R1372 PolarHBondContact O-N 3.45Å; D1369-R1372 WeakPolarHBondContact OD1-CD 3.46Å; D1369-R1372 IonicContact OD1-CZ 2.75Å; D1369-R1372 IonicContact OD1-NE 2.73Å; D1369-R1372 IonicContact OD1-NH1 3.97Å; D1369-R1372 PolarHBondContact OD1-NH1 3.1Å; D1369-Q1373 VanDerWaalsContact O-CB 3.3Å; D1369-Q1373 WeakPolarHBondContact O-CB 3.36Å; D1369-Q1373 WeakPolarHBondContact O-CG 3.27Å; D1369-Q1373 PolarHBondContact O-N 2.84Å |
| 1370 | K | 90.5 | Very high | 81.6 | Confident | 110 Ų | 110 | 59 Ų | 59 | 48% | 0.478 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 170.4 | -172.9 | 176.3 | -176.5 | 175.8 | 0 | 111.8 | E1366 R1374 | E1366-K1370 WeakPolarHBondContact O-CB 3.36Å; E1366-K1370 PolarHBondContact O-N 2.8Å; K1370-R1374 WeakPolarHBondContact O-CG 3.23Å; K1370-R1374 PolarHBondContact O-N 2.94Å; K1370-R1374 VanDerWaalsContact O-N 3.13Å |
| 1371 | C | 89.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 175.6 | -161.9 | 0 | 0 | 0 | 0 | 111.8 | F1303 Y1353 V1367 M1368 R1374 L1375 | F1303-C1371 HydrophobicContact CE1-CB 4.03Å; F1303-C1371 HydrophobicContact CZ-CB 3.97Å; Y1353-C1371 HydrophobicContact CD1-CB 3.81Å; Y1353-C1371 HydrophobicContact CD2-CB 4.34Å; Y1353-C1371 VanDerWaalsContact CD2-SG 3.53Å; Y1353-C1371 HydrophobicContact CE1-CB 3.46Å; Y1353-C1371 VanDerWaalsContact CE1-CB 3.46Å; Y1353-C1371 HydrophobicContact CE2-CB 4.03Å; Y1353-C1371 HydrophobicContact CG-CB 4.23Å; Y1353-C1371 PolarHBondContact OH-N 3.35Å; V1367-C1371 PolarHBondContact O-N 2.99Å; M1368-C1371 WeakPolarHBondContact O-CB 3.24Å; M1368-C1371 PolarHBondContact O-N 3.48Å; C1371-R1374 WeakPolarHBondContact O-CB 3.48Å; C1371-R1374 PolarHBondContact O-N 2.82Å; C1371-L1375 WeakPolarHBondContact O-CG 3.36Å; C1371-L1375 PolarHBondContact O-N 3.46Å; C1371-L1375 VanDerWaalsContact O-N 3.17Å |
| 1372 | R | 84.3 | Confident | 76 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 176 | 174.5 | -179.6 | 169.8 | -146.7 | 5.5 | 111.7 | F1301 M1368 D1369 R1374 L1375 L1376 | F1301-R1372 HydrophobicContact CZ-CB 4.44Å; F1301-R1372 HydrophobicContact CZ-CG 4.32Å; M1368-R1372 WeakPolarHBondContact O-CB 3.28Å; M1368-R1372 PolarHBondContact O-N 3.49Å; D1369-R1372 PolarHBondContact O-N 3.45Å; D1369-R1372 WeakPolarHBondContact OD1-CD 3.46Å; D1369-R1372 IonicContact OD1-CZ 2.75Å; D1369-R1372 IonicContact OD1-NE 2.73Å; D1369-R1372 IonicContact OD1-NH1 3.97Å; D1369-R1372 PolarHBondContact OD1-NH1 3.1Å; R1372-R1374 VanDerWaalsContact C-N 3.35Å; R1372-R1374 PolarHBondContact O-N 3.34Å; R1372-L1375 PolarHBondContact O-N 3.47Å; R1372-L1376 HydrophobicContact CG-CD1 3.72Å; R1372-L1376 WeakPolarHBondContact O-CB 3.29Å; R1372-L1376 WeakPolarHBondContact O-CG 3.47Å; R1372-L1376 PolarHBondContact O-N 2.87Å |
| 1373 | Q | 82.2 | Confident | 73 | Confident | 135 Ų | 135 | 64 Ų | 64 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.5 | -43 | 176.5 | -76.5 | 171.9 | 28.6 | 0 | 0 | 111.6 | D1369 L1375 L1376 S1377 | D1369-Q1373 VanDerWaalsContact O-CB 3.3Å; D1369-Q1373 WeakPolarHBondContact O-CB 3.36Å; D1369-Q1373 WeakPolarHBondContact O-CG 3.27Å; D1369-Q1373 PolarHBondContact O-N 2.84Å; Q1373-L1375 PolarHBondContact O-N 3.12Å; Q1373-L1376 PolarHBondContact O-N 3.3Å; Q1373-S1377 WeakPolarHBondContact O-CA 3.34Å; Q1373-S1377 VanDerWaalsContact O-CB 3.31Å; Q1373-S1377 WeakPolarHBondContact O-CB 3.41Å; Q1373-S1377 PolarHBondContact O-N 2.92Å |
| 1374 | R | 84.4 | Confident | 69.9 | Low | 68 Ų | 68 | 69.7 Ų | 69.7 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.1 | -52.6 | 174.1 | -76.7 | -167.8 | 167.9 | -73.8 | 11.7 | 112.5 | N1284 D1288 K1370 C1371 R1372 L1376 S1377 | N1284-R1374 VanDerWaalsContact CG-NE 3.35Å; N1284-R1374 VanDerWaalsContact OD1-CD 3.22Å; N1284-R1374 WeakPolarHBondContact OD1-CD 3.46Å; N1284-R1374 PolarHBondContact OD1-NE 3.1Å; D1288-R1374 WeakPolarHBondContact OD1-CB 3.33Å; D1288-R1374 WeakPolarHBondContact OD1-CD 3.43Å; D1288-R1374 WeakPolarHBondContact OD1-CG 3.37Å; D1288-R1374 IonicContact OD1-CZ 3.52Å; D1288-R1374 IonicContact OD1-NH1 3.9Å; D1288-R1374 PolarHBondContact OD1-NH1 3.43Å; D1288-R1374 IonicContact OD2-CZ 2.74Å; D1288-R1374 IonicContact OD2-NH1 2.73Å; D1288-R1374 PolarHBondContact OD2-NH1 3.25Å; K1370-R1374 WeakPolarHBondContact O-CG 3.23Å; K1370-R1374 PolarHBondContact O-N 2.94Å; K1370-R1374 VanDerWaalsContact O-N 3.13Å; C1371-R1374 WeakPolarHBondContact O-CB 3.48Å; C1371-R1374 PolarHBondContact O-N 2.82Å; R1372-R1374 VanDerWaalsContact C-N 3.35Å; R1372-R1374 PolarHBondContact O-N 3.34Å; R1374-L1376 PolarHBondContact O-N 2.98Å; R1374-S1377 WeakPolarHBondContact O-CB 3.32Å; R1374-S1377 PolarHBondContact O-N 3.32Å; R1374-S1377 PolarHBondContact O-OG 2.85Å |
| 1375 | L | 77.7 | Confident | 66.9 | Low | 11 Ų | 11 | 79.1 Ų | 79.1 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.5 | -31.8 | 179.6 | -69.1 | 164 | 0 | 0 | 0 | 113.8 | L1287 R1290 F1301 I1338 C1371 R1372 Q1373 | L1287-L1375 HydrophobicContact CB-CD2 4.42Å; L1287-L1375 HydrophobicContact CD2-CD2 3.77Å; L1287-L1375 HydrophobicContact CD2-CG 4.47Å; R1290-L1375 VanDerWaalsContact NH2-CD2 3.25Å; F1301-L1375 HydrophobicContact CD1-CD1 3.87Å; F1301-L1375 HydrophobicContact CD2-CD1 3.98Å; F1301-L1375 HydrophobicContact CE1-CD1 3.95Å; F1301-L1375 HydrophobicContact CE2-CD1 4.04Å; F1301-L1375 HydrophobicContact CG-CD1 3.9Å; F1301-L1375 HydrophobicContact CZ-CD1 4.03Å; I1338-L1375 HydrophobicContact CD1-CD1 3.6Å; C1371-L1375 WeakPolarHBondContact O-CG 3.36Å; C1371-L1375 PolarHBondContact O-N 3.46Å; C1371-L1375 VanDerWaalsContact O-N 3.17Å; R1372-L1375 PolarHBondContact O-N 3.47Å; Q1373-L1375 PolarHBondContact O-N 3.12Å |
| 1376 | L | 73.1 | Confident | 63.8 | Low | 22 Ų | 22 | 84.9 Ų | 84.9 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -100.8 | -11.9 | -175 | -55.6 | 177.6 | 0 | 0 | 0 | 113.4 | P1299 R1372 Q1373 R1374 K1378 L1379 M1442 | P1299-L1376 HydrophobicContact CB-CD2 3.89Å; P1299-L1376 HydrophobicContact CG-CD2 4.33Å; R1372-L1376 HydrophobicContact CG-CD1 3.72Å; R1372-L1376 WeakPolarHBondContact O-CB 3.29Å; R1372-L1376 WeakPolarHBondContact O-CG 3.47Å; R1372-L1376 PolarHBondContact O-N 2.87Å; Q1373-L1376 PolarHBondContact O-N 3.3Å; R1374-L1376 PolarHBondContact O-N 2.98Å; L1376-K1378 PolarHBondContact O-N 3.5Å; L1376-L1379 HydrophobicContact CD2-CD1 4.17Å; L1376-L1379 WeakPolarHBondContact O-CB 3.49Å; L1376-L1379 PolarHBondContact O-N 3.19Å; L1376-M1442 HydrophobicContact CB-CE 4.41Å; L1376-M1442 HydrophobicContact CB-SD 4.48Å; L1376-M1442 HydrophobicContact CD1-SD 3.89Å; L1376-M1442 HydrophobicContact CD2-CE 3.8Å; L1376-M1442 HydrophobicContact CD2-CG 4.31Å; L1376-M1442 HydrophobicContact CD2-SD 3.92Å; L1376-M1442 HydrophobicContact CG-SD 4.3Å |
| 1377 | S | 66.6 | Low | 60.6 | Low | 46 Ų | 46 | 88 Ų | 88 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -50 | -48.3 | -174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | Q1373 R1374 L1379 | Q1373-S1377 WeakPolarHBondContact O-CA 3.34Å; Q1373-S1377 VanDerWaalsContact O-CB 3.31Å; Q1373-S1377 WeakPolarHBondContact O-CB 3.41Å; Q1373-S1377 PolarHBondContact O-N 2.92Å; R1374-S1377 WeakPolarHBondContact O-CB 3.32Å; R1374-S1377 PolarHBondContact O-N 3.32Å; R1374-S1377 PolarHBondContact O-OG 2.85Å; S1377-L1379 PolarHBondContact O-N 3.05Å |
| 1378 | K | 57 | Low | 57.4 | Low | 63 Ų | 63 | 92.7 Ų | 92.7 | 27% | 0.274 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 1.8 | -178.2 | -65.3 | -179.9 | -171.8 | 159 | 0 | 114.1 | D1288 N1289 M1291 I1292 L1376 | D1288-K1378 VanDerWaalsContact C-NZ 3.34Å; D1288-K1378 VanDerWaalsContact O-CD 3.3Å; D1288-K1378 WeakPolarHBondContact O-CD 3.35Å; D1288-K1378 VanDerWaalsContact O-CE 3.3Å; D1288-K1378 WeakPolarHBondContact O-CE 3.42Å; D1288-K1378 PolarHBondContact O-NZ 2.8Å; N1289-K1378 PolarHBondContact OD1-NZ 3.13Å; M1291-K1378 HydrophobicContact CB-CB 3.79Å; M1291-K1378 HydrophobicContact CB-CD 4.38Å; M1291-K1378 HydrophobicContact CG-CB 4.24Å; I1292-K1378 HydrophobicContact CD1-CD 4.04Å; I1292-K1378 HydrophobicContact CG1-CD 3.88Å; L1376-K1378 PolarHBondContact O-N 3.5Å |
| 1379 | L | 53.5 | Low | 54.4 | Low | 16 Ų | 16 | 95.9 Ų | 95.9 | 8% | 0.084 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -22.5 | 176.2 | -72.7 | 161.6 | 0 | 0 | 0 | 113.4 | M1291 P1299 L1376 S1377 L1381 L1438 M1442 | M1291-L1379 HydrophobicContact CE-CD2 3.29Å; M1291-L1379 HydrophobicContact CE-CG 3.87Å; M1291-L1379 HydrophobicContact CG-CD1 4.31Å; M1291-L1379 HydrophobicContact CG-CG 4.08Å; M1291-L1379 HydrophobicContact SD-CD1 3.81Å; M1291-L1379 HydrophobicContact SD-CD2 3.6Å; M1291-L1379 HydrophobicContact SD-CG 3.69Å; P1299-L1379 HydrophobicContact CB-CD1 4.27Å; P1299-L1379 HydrophobicContact CG-CD1 4.18Å; L1376-L1379 HydrophobicContact CD2-CD1 4.17Å; L1376-L1379 WeakPolarHBondContact O-CB 3.49Å; L1376-L1379 PolarHBondContact O-N 3.19Å; S1377-L1379 PolarHBondContact O-N 3.05Å; L1379-L1381 VanDerWaalsContact C-N 3.33Å; L1379-L1438 HydrophobicContact CB-CD2 4.36Å; L1379-L1438 HydrophobicContact CD1-CD1 3.83Å; L1379-L1438 HydrophobicContact CD1-CD2 4.08Å; L1379-L1438 HydrophobicContact CD1-CG 4.43Å; L1379-L1438 HydrophobicContact CD2-CD1 3.54Å; L1379-L1438 HydrophobicContact CD2-CD2 3.7Å; L1379-L1438 HydrophobicContact CD2-CG 4.3Å; L1379-L1438 HydrophobicContact CG-CD1 4.33Å; L1379-L1438 HydrophobicContact CG-CD2 4.25Å; L1379-M1442 HydrophobicContact CB-CE 3.73Å; L1379-M1442 HydrophobicContact CD1-CE 3.62Å; L1379-M1442 HydrophobicContact CG-CE 4.25Å |
| 1380 | Q | 41.2 | Very low | 51.6 | Low | 145 Ų | 145 | 101.3 Ų | 101.3 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -76.3 | -19.1 | 176.3 | -67.5 | 177.7 | -90.6 | 0 | 0 | 113.2 | T1382 | Q1380-T1382 PolarHBondContact O-N 3.36Š|
| 1381 | L | 36 | Very low | 48.7 | Very low | 145 Ų | 145 | 101.5 Ų | 101.5 | 76% | 0.759 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 29.4 | -174 | -70.2 | 168.1 | 0 | 0 | 0 | 115.2 | L1379 | L1379-L1381 VanDerWaalsContact C-N 3.33Š|
| 1382 | T | 30.4 | Very low | 45.6 | Very low | 106 Ų | 106 | 106.9 Ų | 106.9 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 33.7 | 179.5 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | Q1380 | Q1380-T1382 PolarHBondContact O-N 3.36Š|
| 1383 | T | 27.2 | Very low | 43 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -113.7 | 72.2 | 174.4 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | E1385 | T1383-E1385 PolarHBondContact O-N 2.83Š|
| 1384 | N | 26.3 | Very low | 40.4 | Very low | 157 Ų | 157 | 107.3 Ų | 107.3 | 84% | 0.84 | 62% | 0.617 | S | S | * | * | trans | 38.2 | 60.2 | 157.2 | -66.6 | -5.9 | 0 | 0 | 0 | 118.8 | N1386 | N1384-N1386 PolarHBondContact O-N 3.44Š| ||
| 1385 | E | 29 | Very low | 37.8 | Very low | 197 Ų | 197 | 110.3 Ų | 110.3 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -78.7 | 70.8 | 158.5 | -68.4 | -162.9 | 162.5 | 0 | 0 | 110.6 | T1383 | T1383-E1385 PolarHBondContact O-N 2.83Š| ||
| 1386 | N | 26.2 | Very low | 35.5 | Very low | 152 Ų | 152 | 116.8 Ų | 116.8 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | trans | -140.7 | 49.4 | 173.7 | -115.7 | -20.3 | 0 | 0 | 0 | 110.4 | N1384 | N1384-N1386 PolarHBondContact O-N 3.44Š| ||
| 1387 | M | 25.8 | Very low | 33.5 | Very low | 189 Ų | 189 | 121.8 Ų | 121.8 | 93% | 0.931 | 70% | 0.699 | S | S | * | * | trans | -142 | 86.5 | 171 | -91.4 | -66.9 | 170.9 | 0 | 0 | 109.5 | ||||
| 1388 | S | 25.7 | Very low | 31.8 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -131.4 | 131.1 | 169.2 | 56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1389 | G | 27.1 | Very low | 30.3 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | trans | 103.9 | 95.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1390 | I | 30.8 | Very low | 29.2 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | -149.9 | 142.2 | 120.2 | -96.5 | 151 | 0 | 0 | 0 | 108 | |||||
| 1391 | S | 29.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -32.5 | 149.3 | -170.4 | 53.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1392 | S | 24.9 | Very low | 28.2 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -89.9 | 153.5 | 174.1 | 54.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1393 | T | 29.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -144.8 | 147 | 150.2 | 46.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1394 | S | 28.2 | Very low | 28.4 | Very low | 91 Ų | 91 | 131 Ų | 131 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | 98.3 | 119.7 | 13.7 | 82.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1395 | L | 29.2 | Very low | 28.5 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | cis | -149.6 | 159.3 | 0.5 | -58.3 | 88.9 | 0 | 0 | 0 | 112.4 | ||||
| 1396 | E | 28.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 66.4 | 168 | 138.5 | -74.7 | 160.9 | -173.5 | 0 | 0 | 120.4 | ||||
| 1397 | V | 32 | Very low | 28.6 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | cis | -149.5 | 145.9 | 32.1 | 168.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1398 | N | 30.2 | Very low | 29 | Very low | 118 Ų | 118 | 122.5 Ų | 122.5 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | cis | -150.3 | 169.7 | -2.5 | -113.6 | 7.6 | 0 | 0 | 0 | 107.5 | ||||
| 1399 | T | 26.1 | Very low | 28.9 | Very low | 108 Ų | 108 | 122 Ų | 122 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | cis | 86.9 | 96 | 20.6 | -41.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1400 | I | 29.5 | Very low | 28.9 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | -166 | 171.1 | 177.1 | -106.1 | 155.2 | 0 | 0 | 0 | 109.5 | ||||
| 1401 | T | 27.4 | Very low | 28.7 | Very low | 108 Ų | 108 | 120.8 Ų | 120.8 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | -147.3 | 163.4 | -78.5 | -39.5 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1402 | T | 29.7 | Very low | 28.5 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 62.9 | 131.4 | 167.4 | 58.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1403 | T | 30.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | cis | -176.1 | 159.4 | -5.6 | 22 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1404 | S | 30.7 | Very low | 28.2 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | cis | -179.1 | 162.1 | -18.9 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1405 | T | 30.2 | Very low | 28.1 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | 68.6 | 140.3 | 172.7 | 69.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1406 | T | 31.5 | Very low | 27.8 | Very low | 135 Ų | 135 | 126.4 Ų | 126.4 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | cis | -126.9 | 170.8 | 5.1 | 46 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1407 | S | 24.8 | Very low | 27.5 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | -116.7 | -176.9 | 178 | -29.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1408 | P | 33.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | cis | -138.6 | -179.4 | 23.8 | 43.4 | -23.6 | 0 | 0 | 0 | 117.9 | ||||
| 1409 | S | 23.5 | Very low | 27.1 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -101.4 | 157.2 | -177 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1410 | S | 28.9 | Very low | 27.3 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -159.7 | 119.3 | 136.8 | 41.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1411 | S | 25.8 | Very low | 27 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | 104.9 | 112.4 | 39 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1412 | L | 24.9 | Very low | 27.2 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -59.4 | 156.5 | 172.6 | -79.4 | 63.6 | 0 | 0 | 0 | 112.1 | ||||
| 1413 | S | 23.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | -172 | 141 | 119.5 | 30.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1414 | S | 23.3 | Very low | 27 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | trans | 31.2 | 130.5 | 150.1 | 58.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1415 | F | 27.4 | Very low | 27 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | -160.6 | -176 | 92 | -110.9 | -73.5 | 0 | 0 | 0 | 112.3 | |||||
| 1416 | E | 22 | Very low | 26.7 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -106.1 | 164.2 | -151 | -62.1 | 168.9 | 102.3 | 0 | 0 | 115.8 | ||||
| 1417 | T | 23 | Very low | 26.5 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | 55.1 | 115.7 | 152.8 | 50.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1418 | T | 28.8 | Very low | 26.7 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | -163 | 157.9 | 101.7 | 15.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1419 | S | 24.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -111.1 | 137.9 | -167.5 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1420 | T | 29.9 | Very low | 26.7 | Very low | 151 Ų | 151 | 132 Ų | 132 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | trans | -178.7 | 139.5 | 138.9 | 20 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1421 | G | 24.4 | Very low | 27 | Very low | 73 Ų | 73 | 130.4 Ų | 130.4 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | cis | 154.2 | 89.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1422 | I | 30.2 | Very low | 27.7 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 89% | 0.892 | 74% | 0.736 | S | S | * | * | trans | -130.2 | 126.2 | 163.6 | -61.3 | -178 | 0 | 0 | 0 | 107.7 | ||||
| 1423 | S | 29.9 | Very low | 28.5 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | -94.6 | 133.2 | -174.5 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1424 | D | 26.6 | Very low | 29.4 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 70% | 0.704 | S | S | * | * | trans | -53.8 | 144 | 161.8 | -68.3 | -71.6 | 0 | 0 | 0 | 112.1 | ||||
| 1425 | K | 29.7 | Very low | 30.4 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | trans | -137.3 | 116.8 | 168.6 | -75.8 | -173.6 | 176.4 | 169.8 | 0 | 112 | ||||
| 1426 | N | 25.1 | Very low | 31.4 | Very low | 150 Ų | 150 | 119.3 Ų | 119.3 | 80% | 0.802 | 67% | 0.667 | S | S | * | * | trans | 71 | 55.8 | 157.3 | -53.3 | -16.4 | 0 | 0 | 0 | 117.5 | N1428 | N1426-N1428 PolarHBondContact O-N 3.01Š| ||
| 1427 | I | 26.8 | Very low | 32.8 | Very low | 157 Ų | 157 | 113 Ų | 113 | 81% | 0.805 | 64% | 0.639 | S | S | * | * | trans | -66 | 108 | 144.2 | -63.1 | 178.3 | 0 | 0 | 0 | 106.8 | I1429 | I1427-I1429 PolarHBondContact O-N 3.13Å; I1427-I1429 VanDerWaalsContact O-N 3.15Å | ||
| 1428 | N | 28.1 | Very low | 34.1 | Very low | 114 Ų | 114 | 107.3 Ų | 107.3 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | trans | -82.7 | 91.9 | -175.3 | -169.9 | 7.4 | 0 | 0 | 0 | 109.9 | N1426 K1430 | N1426-N1428 PolarHBondContact O-N 3.01Å; N1428-K1430 PolarHBondContact O-N 2.76Å | ||
| 1429 | I | 27.8 | Very low | 35.1 | Very low | 153 Ų | 153 | 105.4 Ų | 105.4 | 79% | 0.785 | 59% | 0.586 | S | S | * | * | trans | -63.2 | 103.3 | -178.2 | -57.9 | 178 | 0 | 0 | 0 | 109.6 | I1427 | I1427-I1429 PolarHBondContact O-N 3.13Å; I1427-I1429 VanDerWaalsContact O-N 3.15Å | ||
| 1430 | K | 30.2 | Very low | 36.7 | Very low | 74 Ų | 74 | 101.4 Ų | 101.4 | 32% | 0.322 | 56% | 0.556 | S | S | . | * | trans | -80.1 | 155.7 | 178.1 | -73.7 | 176.2 | 171.8 | -167.9 | 0 | 111.6 | N1295 F1297 N1428 | N1295-K1430 PolarHBondContact O-NZ 2.91Å; F1297-K1430 HydrophobicContact CD2-CD 4.47Å; F1297-K1430 HydrophobicContact CE2-CB 3.97Å; F1297-K1430 HydrophobicContact CE2-CD 3.66Å; F1297-K1430 HydrophobicContact CE2-CG 4.46Å; F1297-K1430 HydrophobicContact CZ-CB 4.2Å; N1428-K1430 PolarHBondContact O-N 2.76Å | ||
| 1431 | T | 35.3 | Very low | 37.9 | Very low | 79 Ų | 79 | 94.6 Ų | 94.6 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | trans | -54.1 | 140.1 | -176.6 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | E1433 Q1434 | T1431-E1433 PolarHBondContact O-N 2.79Å; T1431-Q1434 PolarHBondContact O-N 3.01Å | ||
| 1432 | P | 40.2 | Very low | 39.3 | Very low | 97 Ų | 97 | 93.5 Ų | 93.5 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.9 | -14.4 | -173.5 | 24.5 | -35 | 0 | 0 | 0 | 115.2 | Q1434 S1435 Q1436 | P1432-Q1434 VanDerWaalsContact C-N 3.27Å; P1432-Q1434 PolarHBondContact O-N 3.41Å; P1432-S1435 PolarHBondContact O-OG 3.39Å; P1432-Q1436 WeakPolarHBondContact O-CG 3.29Å; P1432-Q1436 PolarHBondContact O-N 3.3Å |
| 1433 | E | 42.6 | Very low | 41 | Very low | 134 Ų | 134 | 90 Ų | 90 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.3 | -36.2 | 169.7 | -62.9 | -175.9 | 143.1 | 0 | 0 | 112.1 | T1431 S1437 | T1431-E1433 PolarHBondContact O-N 2.79Å; E1433-S1437 PolarHBondContact O-N 3.33Å; E1433-S1437 PolarHBondContact O-OG 2.94Å |
| 1434 | Q | 41.4 | Very low | 43.3 | Very low | 77 Ų | 77 | 87.7 Ų | 87.7 | 36% | 0.36 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -78 | -35.8 | -174.2 | -65 | -171.2 | -0.5 | 0 | 0 | 113 | F1297 T1431 P1432 S1437 L1438 | F1297-Q1434 HydrophobicContact CD2-CB 3.82Å; F1297-Q1434 HydrophobicContact CE2-CB 3.61Å; F1297-Q1434 HydrophobicContact CG-CB 4.36Å; F1297-Q1434 HydrophobicContact CZ-CB 4.03Å; T1431-Q1434 PolarHBondContact O-N 3.01Å; P1432-Q1434 VanDerWaalsContact C-N 3.27Å; P1432-Q1434 PolarHBondContact O-N 3.41Å; Q1434-S1437 PolarHBondContact O-N 2.89Å; Q1434-L1438 PolarHBondContact O-N 2.65Å; Q1434-L1438 VanDerWaalsContact O-N 3.13Å |
| 1435 | S | 44.8 | Very low | 46.2 | Very low | 42 Ų | 42 | 81.7 Ų | 81.7 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 171.4 | 48.9 | 0 | 0 | 0 | 0 | 111.8 | P1432 L1438 M1439 | P1432-S1435 PolarHBondContact O-OG 3.39Å; S1435-L1438 PolarHBondContact O-N 2.75Å; S1435-M1439 WeakPolarHBondContact O-CG 3.34Å; S1435-M1439 PolarHBondContact O-N 2.94Å |
| 1436 | Q | 49.4 | Very low | 49 | Very low | 76 Ų | 76 | 74.3 Ų | 74.3 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 170.7 | -77 | -168.7 | 8.5 | 0 | 0 | 112.8 | P1432 L1438 M1439 K1440 | P1432-Q1436 WeakPolarHBondContact O-CG 3.29Å; P1432-Q1436 PolarHBondContact O-N 3.3Å; Q1436-L1438 VanDerWaalsContact C-N 3.31Å; Q1436-L1438 PolarHBondContact O-N 3.17Å; Q1436-M1439 PolarHBondContact O-N 3.43Å; Q1436-K1440 WeakPolarHBondContact O-CG 3.26Å; Q1436-K1440 PolarHBondContact O-N 3.1Å |
| 1437 | S | 50.6 | Low | 52.2 | Low | 16 Ų | 16 | 67.2 Ų | 67.2 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 175.7 | -71.1 | 0 | 0 | 0 | 0 | 112 | E1433 Q1434 K1440 V1441 | E1433-S1437 PolarHBondContact O-N 3.33Å; E1433-S1437 PolarHBondContact O-OG 2.94Å; Q1434-S1437 PolarHBondContact O-N 2.89Å; S1437-K1440 WeakPolarHBondContact O-CB 3.48Å; S1437-K1440 PolarHBondContact O-N 3.15Å; S1437-V1441 WeakPolarHBondContact O-CG2 3.4Å; S1437-V1441 PolarHBondContact O-N 3.3Å; S1437-V1441 VanDerWaalsContact O-N 3.09Å |
| 1438 | L | 49.4 | Very low | 55.4 | Low | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 176.2 | 167.2 | 144.5 | 0 | 0 | 0 | 113.2 | F1297 P1299 L1379 Q1434 S1435 Q1436 K1440 V1441 M1442 | F1297-L1438 HydrophobicContact CB-CB 4.16Å; F1297-L1438 HydrophobicContact CB-CD1 3.88Å; F1297-L1438 HydrophobicContact CD1-CB 4.07Å; F1297-L1438 HydrophobicContact CD1-CD1 3.9Å; F1297-L1438 HydrophobicContact CD1-CG 4.48Å; F1297-L1438 HydrophobicContact CG-CD1 4.39Å; P1299-L1438 VanDerWaalsContact CD-CD1 3.47Å; P1299-L1438 HydrophobicContact CG-CD1 3.88Å; P1299-L1438 HydrophobicContact CG-CG 4.25Å; L1379-L1438 HydrophobicContact CB-CD2 4.36Å; L1379-L1438 HydrophobicContact CD1-CD1 3.83Å; L1379-L1438 HydrophobicContact CD1-CD2 4.08Å; L1379-L1438 HydrophobicContact CD1-CG 4.43Å; L1379-L1438 HydrophobicContact CD2-CD1 3.54Å; L1379-L1438 HydrophobicContact CD2-CD2 3.7Å; L1379-L1438 HydrophobicContact CD2-CG 4.3Å; L1379-L1438 HydrophobicContact CG-CD1 4.33Å; L1379-L1438 HydrophobicContact CG-CD2 4.25Å; Q1434-L1438 PolarHBondContact O-N 2.65Å; Q1434-L1438 VanDerWaalsContact O-N 3.13Å; S1435-L1438 PolarHBondContact O-N 2.75Å; Q1436-L1438 VanDerWaalsContact C-N 3.31Å; Q1436-L1438 PolarHBondContact O-N 3.17Å; L1438-K1440 PolarHBondContact O-N 3.42Å; L1438-V1441 WeakPolarHBondContact O-CB 3.35Å; L1438-V1441 PolarHBondContact O-N 3.34Å; L1438-M1442 HydrophobicContact CD2-CE 3.63Å; L1438-M1442 HydrophobicContact CG-CE 4.44Å; L1438-M1442 PolarHBondContact O-N 2.9Å |
| 1439 | M | 50.8 | Low | 58.6 | Low | 114 Ų | 114 | 54.3 Ų | 54.3 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.4 | -27.3 | 174.5 | -74.3 | -73.2 | -82.4 | 0 | 0 | 112 | S1435 Q1436 M1442 | S1435-M1439 WeakPolarHBondContact O-CG 3.34Å; S1435-M1439 PolarHBondContact O-N 2.94Å; Q1436-M1439 PolarHBondContact O-N 3.43Å; M1439-M1442 HydrophobicContact SD-CE 4.43Å |
| 1440 | K | 56.7 | Low | 61.7 | Low | 20 Ų | 20 | 47 Ų | 47 | 9% | 0.087 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.1 | -31.7 | 173.3 | -63.4 | 168.6 | -163.9 | 175.9 | 0 | 112.9 | Q1436 S1437 L1438 M1442 Q1443 M1686 Q1689 S1690 | Q1436-K1440 WeakPolarHBondContact O-CG 3.26Å; Q1436-K1440 PolarHBondContact O-N 3.1Å; S1437-K1440 WeakPolarHBondContact O-CB 3.48Å; S1437-K1440 PolarHBondContact O-N 3.15Å; L1438-K1440 PolarHBondContact O-N 3.42Å; K1440-M1442 PolarHBondContact O-N 2.9Å; K1440-Q1443 WeakPolarHBondContact O-CB 3.23Å; K1440-Q1443 PolarHBondContact O-N 2.81Å; K1440-Q1443 VanDerWaalsContact O-N 3.14Å; K1440-M1686 WeakPolarHBondContact CD-O 3.25Å; K1440-M1686 PolarHBondContact NZ-O 3.02Å; K1440-Q1689 HydrophobicContact CD-CB 4.18Å; K1440-Q1689 VanDerWaalsContact CE-O 3.24Å; K1440-Q1689 WeakPolarHBondContact CE-O 3.25Å; K1440-Q1689 VanDerWaalsContact NZ-C 3.32Å; K1440-Q1689 PolarHBondContact NZ-O 2.87Å; K1440-S1690 VanDerWaalsContact NZ-N 3.2Å |
| 1441 | V | 55.2 | Low | 64.5 | Low | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -37.5 | 170 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | S1437 L1438 Q1443 W1444 M1686 L1777 | S1437-V1441 WeakPolarHBondContact O-CG2 3.4Å; S1437-V1441 PolarHBondContact O-N 3.3Å; S1437-V1441 VanDerWaalsContact O-N 3.09Å; L1438-V1441 WeakPolarHBondContact O-CB 3.35Å; L1438-V1441 PolarHBondContact O-N 3.34Å; V1441-Q1443 PolarHBondContact O-N 3.49Å; V1441-W1444 HydrophobicContact CB-CE3 4.3Å; V1441-W1444 HydrophobicContact CB-CZ3 4.19Å; V1441-W1444 HydrophobicContact CG1-CE3 3.95Å; V1441-W1444 HydrophobicContact CG1-CZ3 3.98Å; V1441-W1444 HydrophobicContact CG2-CE3 4.35Å; V1441-W1444 HydrophobicContact CG2-CH2 3.94Å; V1441-W1444 HydrophobicContact CG2-CZ3 3.75Å; V1441-W1444 PolarHBondContact O-N 2.82Å; V1441-W1444 VanDerWaalsContact O-N 3.13Å; V1441-M1686 HydrophobicContact CG2-CE 4.21Å; V1441-L1777 HydrophobicContact CG2-CB 4.49Å |
| 1442 | M | 55 | Low | 67 | Low | 50 Ų | 50 | 41.9 Ų | 41.9 | 25% | 0.246 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12.7 | 176.7 | -60.1 | -161.6 | -161.6 | 0 | 0 | 115.1 | L1376 L1379 L1438 M1439 K1440 | L1376-M1442 HydrophobicContact CB-CE 4.41Å; L1376-M1442 HydrophobicContact CB-SD 4.48Å; L1376-M1442 HydrophobicContact CD1-SD 3.89Å; L1376-M1442 HydrophobicContact CD2-CE 3.8Å; L1376-M1442 HydrophobicContact CD2-CG 4.31Å; L1376-M1442 HydrophobicContact CD2-SD 3.92Å; L1376-M1442 HydrophobicContact CG-SD 4.3Å; L1379-M1442 HydrophobicContact CB-CE 3.73Å; L1379-M1442 HydrophobicContact CD1-CE 3.62Å; L1379-M1442 HydrophobicContact CG-CE 4.25Å; L1438-M1442 HydrophobicContact CD2-CE 3.63Å; L1438-M1442 HydrophobicContact CG-CE 4.44Å; L1438-M1442 PolarHBondContact O-N 2.9Å; M1439-M1442 HydrophobicContact SD-CE 4.43Å; K1440-M1442 PolarHBondContact O-N 2.9Å |
| 1443 | Q | 66.4 | Low | 69.5 | Low | 101 Ų | 101 | 38.4 Ų | 38.4 | 47% | 0.472 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -16.3 | 173.4 | -67.4 | -176.7 | 8.9 | 0 | 0 | 112.8 | K1440 V1441 N1466 Q1689 | K1440-Q1443 WeakPolarHBondContact O-CB 3.23Å; K1440-Q1443 PolarHBondContact O-N 2.81Å; K1440-Q1443 VanDerWaalsContact O-N 3.14Å; V1441-Q1443 PolarHBondContact O-N 3.49Å; Q1443-N1466 PolarHBondContact O-ND2 2.86Å; Q1443-Q1689 VanDerWaalsContact OE1-OE1 3.09Å |
| 1444 | W | 77.3 | Confident | 71.7 | Confident | 38 Ų | 38 | 40 Ų | 40 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -73.7 | 145.2 | 179.6 | -61.1 | -23.2 | 0 | 0 | 0 | 111.5 | V1441 M1686 L1778 Y1781 | V1441-W1444 HydrophobicContact CB-CE3 4.3Å; V1441-W1444 HydrophobicContact CB-CZ3 4.19Å; V1441-W1444 HydrophobicContact CG1-CE3 3.95Å; V1441-W1444 HydrophobicContact CG1-CZ3 3.98Å; V1441-W1444 HydrophobicContact CG2-CE3 4.35Å; V1441-W1444 HydrophobicContact CG2-CH2 3.94Å; V1441-W1444 HydrophobicContact CG2-CZ3 3.75Å; V1441-W1444 PolarHBondContact O-N 2.82Å; V1441-W1444 VanDerWaalsContact O-N 3.13Å; W1444-M1686 HydrophobicContact CH2-CE 3.63Å; W1444-M1686 HydrophobicContact CH2-CG 4.32Å; W1444-M1686 HydrophobicContact CH2-SD 3.69Å; W1444-M1686 HydrophobicContact CZ2-CE 3.97Å; W1444-M1686 HydrophobicContact CZ2-CG 3.75Å; W1444-M1686 HydrophobicContact CZ2-SD 3.72Å; W1444-L1778 HydrophobicContact CE3-CD1 4.28Å; W1444-L1778 HydrophobicContact CH2-CB 4.18Å; W1444-L1778 HydrophobicContact CH2-CD1 3.3Å; W1444-L1778 HydrophobicContact CH2-CG 4.33Å; W1444-L1778 HydrophobicContact CZ2-CD1 3.7Å; W1444-L1778 HydrophobicContact CZ3-CD1 3.62Å; W1444-Y1781 HydrophobicContact CB-CD2 4.49Å; W1444-Y1781 HydrophobicContact CB-CE2 3.81Å; W1444-Y1781 HydrophobicContact CE3-CD1 4Å; W1444-Y1781 AromaticContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CE1 4.41Å; W1444-Y1781 HydrophobicContact CE3-CE2 4.19Å; W1444-Y1781 AromaticContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CZ3-CD1 4.39Å; W1444-Y1781 HydrophobicContact CZ3-CG 4.08Å |
| 1445 | P | 87 | Confident | 74 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 23% | 0.234 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 139.2 | -176.7 | 25.6 | -34.6 | 0 | 0 | 0 | 111.4 | P1447 N1466 I1468 Y1781 | P1445-P1447 VanDerWaalsContact O-CD 3.29Å; P1445-P1447 WeakPolarHBondContact O-CD 3.46Å; P1445-N1466 CarbonylContact C-O 3.48Å; P1445-N1466 WeakPolarHBondContact CA-O 3.33Å; P1445-N1466 VanDerWaalsContact CA-OD1 3.3Å; P1445-N1466 WeakPolarHBondContact CA-OD1 3.4Å; P1445-N1466 WeakPolarHBondContact CB-OD1 3.19Å; P1445-I1468 HydrophobicContact CB-CB 4.36Å; P1445-I1468 HydrophobicContact CB-CG2 4.25Å; P1445-I1468 HydrophobicContact CG-CB 4.44Å; P1445-I1468 HydrophobicContact CG-CG2 4.2Å; P1445-Y1781 PolarHBondContact O-OH 3.4Å |
| 1446 | V | 89.1 | Confident | 76.2 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 122.6 | 178.5 | -177 | 0 | 0 | 0 | 0 | 109.3 | F1301 F1303 N1466 I1467 I1468 | F1301-V1446 HydrophobicContact CD2-CG1 4.37Å; F1301-V1446 HydrophobicContact CE2-CG1 3.83Å; F1301-V1446 HydrophobicContact CE2-CG2 4.44Å; F1301-V1446 HydrophobicContact CZ-CG2 4.38Å; F1303-V1446 HydrophobicContact CD2-CG1 3.68Å; F1303-V1446 HydrophobicContact CE2-CG1 3.84Å; V1446-N1466 PolarHBondContact N-O 3.33Å; V1446-I1467 WeakPolarHBondContact O-CA 3.36Å; V1446-I1468 PolarHBondContact O-N 3.28Å |
| 1447 | P | 92.4 | Very high | 78.2 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 136.1 | 177.7 | -15.2 | 30.8 | 0 | 0 | 0 | 111.3 | S1302 F1303 P1445 I1468 L1470 Y1781 I1785 | S1302-P1447 WeakPolarHBondContact CA-O 3.39Å; S1302-P1447 WeakPolarHBondContact CB-O 3.42Å; F1303-P1447 PolarHBondContact N-O 2.9Å; P1445-P1447 VanDerWaalsContact O-CD 3.29Å; P1445-P1447 WeakPolarHBondContact O-CD 3.46Å; P1447-I1468 HydrophobicContact CB-CG2 4.16Å; P1447-I1468 HydrophobicContact CG-CG2 4.4Å; P1447-L1470 HydrophobicContact CB-CD1 4.1Å; P1447-Y1781 HydrophobicContact CG-CE2 4.17Å; P1447-I1785 HydrophobicContact CB-CD1 4.1Å; P1447-I1785 HydrophobicContact CB-CG1 3.83Å; P1447-I1785 HydrophobicContact CG-CD1 4.07Å; P1447-I1785 HydrophobicContact CG-CG1 3.85Å |
| 1448 | I | 94.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.6 | 175.4 | -52.3 | -175.3 | 0 | 0 | 0 | 109.4 | F1303 I1305 M1368 L1456 I1467 I1468 I1469 L1470 | F1303-I1448 HydrophobicContact CB-CG1 4.31Å; F1303-I1448 HydrophobicContact CB-CG2 4.42Å; F1303-I1448 CarbonylContact O-C 3.5Å; F1303-I1448 WeakPolarHBondContact O-CA 3.35Å; I1305-I1448 HydrophobicContact CB-CG2 4.25Å; I1305-I1448 HydrophobicContact CD1-CD1 4.38Å; I1305-I1448 HydrophobicContact CD1-CG2 3.8Å; I1305-I1448 HydrophobicContact CG1-CG2 3.75Å; M1368-I1448 HydrophobicContact CE-CD1 3.39Å; M1368-I1448 HydrophobicContact SD-CD1 4.23Å; I1448-L1456 HydrophobicContact CG2-CD2 3.96Å; I1448-I1467 HydrophobicContact CD1-CB 4.49Å; I1448-I1467 HydrophobicContact CD1-CD1 3.86Å; I1448-I1467 HydrophobicContact CD1-CG1 4.12Å; I1448-I1467 HydrophobicContact CD1-CG2 3.56Å; I1448-I1467 HydrophobicContact CG1-CG2 3.99Å; I1448-I1468 PolarHBondContact N-O 3.23Å; I1448-I1469 WeakPolarHBondContact O-CA 3.39Å; I1448-L1470 PolarHBondContact O-N 2.8Å |
| 1449 | I | 94.5 | Very high | 82 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.5 | 174.8 | -53.5 | 81.8 | 0 | 0 | 0 | 108.5 | F1303 S1304 I1305 L1470 C1472 I1785 C1789 | F1303-I1449 WeakPolarHBondContact O-CD1 3.36Å; F1303-I1449 PolarHBondContact O-N 3.48Å; S1304-I1449 CarbonylContact C-O 3.56Å; S1304-I1449 VanDerWaalsContact CA-O 3.26Å; S1304-I1449 WeakPolarHBondContact CA-O 3.28Å; I1305-I1449 PolarHBondContact N-O 3.48Å; I1449-L1470 WeakPolarHBondContact CA-O 3.33Å; I1449-C1472 HydrophobicContact CG2-CB 3.95Å; I1449-I1785 HydrophobicContact CD1-CG2 3.86Å; I1449-I1785 HydrophobicContact CG1-CG2 4.11Å; I1449-C1789 HydrophobicContact CG2-CB 4.27Å; I1449-C1789 WeakPolarHBondContact O-CB 3.42Å |
| 1450 | T | 93 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 153 | -179.3 | -172.9 | 0 | 0 | 0 | 0 | 113.6 | I1305 D1452 V1453 L1456 I1469 L1470 C1472 | I1305-T1450 VanDerWaalsContact O-CA 3.25Å; I1305-T1450 WeakPolarHBondContact O-CA 3.5Å; I1305-T1450 WeakPolarHBondContact O-CB 3.38Å; I1305-T1450 PolarHBondContact O-OG1 3Å; T1450-D1452 WeakPolarHBondContact CG2-O 3.39Å; T1450-D1452 PolarHBondContact OG1-N 2.7Å; T1450-D1452 PolarHBondContact OG1-O 3.42Å; T1450-V1453 HydrophobicContact CG2-CB 4.39Å; T1450-V1453 HydrophobicContact CG2-CG2 3.74Å; T1450-L1456 HydrophobicContact CG2-CB 4.31Å; T1450-L1456 HydrophobicContact CG2-CD2 3.84Å; T1450-I1469 HydrophobicContact CG2-CG2 3.66Å; T1450-L1470 PolarHBondContact N-O 3.06Å; T1450-C1472 VanDerWaalsContact O-CB 3.29Å; T1450-C1472 WeakPolarHBondContact O-CB 3.32Å; T1450-C1472 PolarHBondContact O-N 3.02Å |
| 1451 | N | 89.5 | Confident | 85.3 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82.3 | -12.5 | 171 | 62.3 | -37.7 | 0 | 0 | 0 | 113.1 | E1306 L1307 S1475 K1479 C1789 | E1306-N1451 WeakPolarHBondContact CA-OD1 3.28Å; L1307-N1451 PolarHBondContact N-OD1 3.3Å; L1307-N1451 PolarHBondContact O-ND2 3.09Å; N1451-S1475 WeakPolarHBondContact CA-OG 3.41Å; N1451-K1479 VanDerWaalsContact O-CE 3.31Å; N1451-K1479 WeakPolarHBondContact O-CE 3.35Å; N1451-K1479 PolarHBondContact O-NZ 3.46Å; N1451-C1789 PolarHBondContact N-SG 2.93Å; N1451-C1789 VanDerWaalsContact N-SG 3.4Å |
| 1452 | D | 88 | Confident | 86.7 | Confident | 34 Ų | 34 | 44.7 Ų | 44.7 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | trans | -134.6 | 97.7 | 172.9 | -164.3 | -26.4 | 0 | 0 | 0 | 111.1 | L1307 T1450 E1454 F1455 L1456 | L1307-D1452 HydrophobicContact CD1-CB 3.87Å; T1450-D1452 WeakPolarHBondContact CG2-O 3.39Å; T1450-D1452 PolarHBondContact OG1-N 2.7Å; T1450-D1452 PolarHBondContact OG1-O 3.42Å; D1452-E1454 PolarHBondContact OD1-N 3.05Å; D1452-E1454 VanDerWaalsContact OD1-N 3.16Å; D1452-F1455 HydrophobicContact CB-CB 4.14Å; D1452-F1455 VanDerWaalsContact CG-CB 3.44Å; D1452-F1455 WeakPolarHBondContact OD1-CB 3.49Å; D1452-F1455 PolarHBondContact OD1-N 2.99Å; D1452-L1456 WeakPolarHBondContact O-CB 3.36Å; D1452-L1456 PolarHBondContact O-N 3.34Å | ||
| 1453 | V | 91.4 | Very high | 87.8 | Confident | 25 Ų | 25 | 48 Ų | 48 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77.6 | -30.9 | -178.1 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | T1450 K1457 I1469 P1471 | T1450-V1453 HydrophobicContact CG2-CB 4.39Å; T1450-V1453 HydrophobicContact CG2-CG2 3.74Å; V1453-K1457 HydrophobicContact CG1-CD 3.88Å; V1453-K1457 VanDerWaalsContact CG1-CE 3.4Å; V1453-K1457 HydrophobicContact CG1-CG 4.34Å; V1453-K1457 VanDerWaalsContact O-CB 3.3Å; V1453-K1457 WeakPolarHBondContact O-CB 3.46Å; V1453-K1457 VanDerWaalsContact O-CG 3.26Å; V1453-K1457 WeakPolarHBondContact O-CG 3.43Å; V1453-K1457 PolarHBondContact O-N 3.25Å; V1453-I1469 HydrophobicContact CB-CG2 4.47Å; V1453-I1469 HydrophobicContact CG1-CG2 4.01Å; V1453-I1469 HydrophobicContact CG2-CG2 4.25Å; V1453-P1471 HydrophobicContact CG2-CB 3.81Å; V1453-P1471 HydrophobicContact CG2-CG 4Å |
| 1454 | E | 89.6 | Confident | 88.4 | Confident | 168 Ų | 168 | 49.7 Ų | 49.7 | 79% | 0.785 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -73.8 | -48.2 | -178.3 | -65.8 | -174.6 | 174.4 | 0 | 0 | 110.3 | D1452 L1456 K1457 H1458 | D1452-E1454 PolarHBondContact OD1-N 3.05Å; D1452-E1454 VanDerWaalsContact OD1-N 3.16Å; E1454-L1456 VanDerWaalsContact C-N 3.34Å; E1454-L1456 PolarHBondContact O-N 3.34Å; E1454-K1457 PolarHBondContact O-N 3.36Å; E1454-H1458 PolarHBondContact O-N 3.47Å |
| 1455 | F | 88.9 | Confident | 88.5 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 23% | 0.228 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 174.1 | -177.6 | -90.5 | 0 | 0 | 0 | 111.7 | L1307 Q1332 P1359 D1452 H1458 L1459 | L1307-F1455 HydrophobicContact CD1-CB 4.45Å; L1307-F1455 HydrophobicContact CD1-CD1 3.53Å; L1307-F1455 HydrophobicContact CD1-CE1 4.19Å; L1307-F1455 HydrophobicContact CD1-CG 4.33Å; L1307-F1455 HydrophobicContact CD2-CD1 3.97Å; L1307-F1455 HydrophobicContact CD2-CE1 3.76Å; L1307-F1455 HydrophobicContact CG-CD1 4.39Å; Q1332-F1455 VanDerWaalsContact CD-CZ 3.46Å; Q1332-F1455 VanDerWaalsContact NE2-CE2 3.33Å; P1359-F1455 HydrophobicContact CG-CE1 4.1Å; P1359-F1455 HydrophobicContact CG-CZ 4.24Å; D1452-F1455 HydrophobicContact CB-CB 4.14Å; D1452-F1455 VanDerWaalsContact CG-CB 3.44Å; D1452-F1455 WeakPolarHBondContact OD1-CB 3.49Å; D1452-F1455 PolarHBondContact OD1-N 2.99Å; F1455-H1458 PolarHBondContact O-N 3.49Å; F1455-L1459 HydrophobicContact CD1-CD1 4.08Å; F1455-L1459 HydrophobicContact CE1-CD1 3.35Å; F1455-L1459 HydrophobicContact CE1-CG 4.17Å; F1455-L1459 HydrophobicContact CZ-CD1 3.72Å; F1455-L1459 HydrophobicContact CZ-CG 4.39Å; F1455-L1459 PolarHBondContact O-N 2.86Å |
| 1456 | L | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.2 | -37.2 | -177.9 | -166.4 | 65.3 | 0 | 0 | 0 | 112.5 | I1305 L1364 I1448 T1450 D1452 E1454 H1458 L1459 I1460 I1469 | I1305-L1456 HydrophobicContact CD1-CD1 4.04Å; I1305-L1456 HydrophobicContact CD1-CD2 4.14Å; I1305-L1456 HydrophobicContact CG2-CD1 4.49Å; L1364-L1456 HydrophobicContact CD1-CD1 3.93Å; I1448-L1456 HydrophobicContact CG2-CD2 3.96Å; T1450-L1456 HydrophobicContact CG2-CB 4.31Å; T1450-L1456 HydrophobicContact CG2-CD2 3.84Å; D1452-L1456 WeakPolarHBondContact O-CB 3.36Å; D1452-L1456 PolarHBondContact O-N 3.34Å; E1454-L1456 VanDerWaalsContact C-N 3.34Å; E1454-L1456 PolarHBondContact O-N 3.34Å; L1456-H1458 VanDerWaalsContact C-N 3.33Å; L1456-L1459 PolarHBondContact O-N 3.37Å; L1456-I1460 HydrophobicContact CD1-CD1 3.82Å; L1456-I1460 HydrophobicContact CD1-CG1 4.34Å; L1456-I1460 HydrophobicContact CG-CD1 4.45Å; L1456-I1460 PolarHBondContact O-N 3.45Å; L1456-I1469 HydrophobicContact CB-CD1 4.27Å; L1456-I1469 HydrophobicContact CD2-CD1 3.96Å; L1456-I1469 HydrophobicContact CD2-CG1 4.04Å; L1456-I1469 HydrophobicContact CD2-CG2 4.01Å; L1456-I1469 HydrophobicContact CG-CD1 3.86Å; L1456-I1469 HydrophobicContact CG-CG1 4.49Å |
| 1457 | K | 91.7 | Very high | 88.6 | Confident | 86 Ų | 86 | 49.4 Ų | 49.4 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.1 | -27.4 | 173.2 | -75.9 | 177.4 | -175.1 | -68 | 0 | 113.1 | V1453 E1454 L1459 E1462 I1469 | V1453-K1457 HydrophobicContact CG1-CD 3.88Å; V1453-K1457 VanDerWaalsContact CG1-CE 3.4Å; V1453-K1457 HydrophobicContact CG1-CG 4.34Å; V1453-K1457 VanDerWaalsContact O-CB 3.3Å; V1453-K1457 WeakPolarHBondContact O-CB 3.46Å; V1453-K1457 VanDerWaalsContact O-CG 3.26Å; V1453-K1457 WeakPolarHBondContact O-CG 3.43Å; V1453-K1457 PolarHBondContact O-N 3.25Å; E1454-K1457 PolarHBondContact O-N 3.36Å; K1457-L1459 VanDerWaalsContact C-N 3.31Å; K1457-E1462 IonicContact NZ-OE1 2.67Å; K1457-E1462 PolarHBondContact NZ-OE1 3.5Å; K1457-E1462 IonicContact NZ-OE2 3.93Å; K1457-E1462 PolarHBondContact NZ-OE2 2.94Å; K1457-I1469 HydrophobicContact CG-CD1 3.74Å |
| 1458 | H | 90.6 | Very high | 88.6 | Confident | 165 Ų | 165 | 49.7 Ų | 49.7 | 76% | 0.764 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -71.3 | -27.2 | 171.6 | -169.8 | -67.1 | 0 | 0 | 0 | 112.2 | E1454 F1455 L1456 | E1454-H1458 PolarHBondContact O-N 3.47Å; F1455-H1458 PolarHBondContact O-N 3.49Å; L1456-H1458 VanDerWaalsContact C-N 3.33Å |
| 1459 | L | 90 | Very high | 88.6 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -89.3 | -38.8 | 176 | -68.5 | -175 | 0 | 0 | 0 | 113.8 | R1361 L1364 F1455 L1456 K1457 | R1361-L1459 WeakPolarHBondContact CB-O 3.41Å; R1361-L1459 WeakPolarHBondContact CD-O 3.46Å; R1361-L1459 WeakPolarHBondContact CG-O 3.36Å; L1364-L1459 HydrophobicContact CD1-CB 4.36Å; L1364-L1459 HydrophobicContact CD1-CD1 3.65Å; F1455-L1459 HydrophobicContact CD1-CD1 4.08Å; F1455-L1459 HydrophobicContact CE1-CD1 3.35Å; F1455-L1459 HydrophobicContact CE1-CG 4.17Å; F1455-L1459 HydrophobicContact CZ-CD1 3.72Å; F1455-L1459 HydrophobicContact CZ-CG 4.39Å; F1455-L1459 PolarHBondContact O-N 2.86Å; L1456-L1459 PolarHBondContact O-N 3.37Å; K1457-L1459 VanDerWaalsContact C-N 3.31Å |
| 1460 | I | 89 | Confident | 88.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | trans | -123.5 | 122.3 | -169.2 | -57.8 | -177.9 | 0 | 0 | 0 | 110.5 | L1364 L1365 L1456 I1467 | L1364-I1460 HydrophobicContact CB-CD1 4.11Å; L1364-I1460 HydrophobicContact CD1-CD1 4.06Å; L1364-I1460 HydrophobicContact CD1-CG1 4.43Å; L1365-I1460 HydrophobicContact CD2-CD1 4.34Å; L1365-I1460 HydrophobicContact CD2-CG2 4.23Å; L1456-I1460 HydrophobicContact CD1-CD1 3.82Å; L1456-I1460 HydrophobicContact CD1-CG1 4.34Å; L1456-I1460 HydrophobicContact CG-CD1 4.45Å; L1456-I1460 PolarHBondContact O-N 3.45Å; I1460-I1467 HydrophobicContact CG2-CD1 3.85Å | ||
| 1461 | D | 86.8 | Confident | 88.7 | Confident | 63 Ų | 63 | 50 Ų | 50 | 34% | 0.337 | 25% | 0.25 | S | S | . | . | trans | -75.9 | 123.3 | 167.4 | -171 | -74.4 | 0 | 0 | 0 | 110.1 | T1463 E1464 S1465 | D1461-T1463 VanDerWaalsContact C-N 3.3Å; D1461-T1463 PolarHBondContact O-N 3.17Å; D1461-T1463 WeakPolarHBondContact OD1-CA 3.34Å; D1461-T1463 WeakPolarHBondContact OD1-CB 3.36Å; D1461-T1463 PolarHBondContact OD1-N 2.86Å; D1461-T1463 PolarHBondContact OD1-OG1 2.84Å; D1461-E1464 HydrophobicContact CB-CB 4.14Å; D1461-E1464 HydrophobicContact CB-CG 4.07Å; D1461-E1464 WeakPolarHBondContact CB-OE2 3.5Å; D1461-E1464 PolarHBondContact OD1-N 3.05Å; D1461-S1465 WeakPolarHBondContact O-CB 3.39Å; D1461-S1465 PolarHBondContact O-N 3.03Å; D1461-S1465 PolarHBondContact O-OG 3.26Å | ||
| 1462 | E | 84.7 | Confident | 88.8 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -33.2 | -179.5 | -72.3 | -178.3 | 139.9 | 0 | 0 | 113 | K1457 N1466 I1467 I1469 | K1457-E1462 IonicContact NZ-OE1 2.67Å; K1457-E1462 PolarHBondContact NZ-OE1 3.5Å; K1457-E1462 IonicContact NZ-OE2 3.93Å; K1457-E1462 PolarHBondContact NZ-OE2 2.94Å; E1462-N1466 PolarHBondContact O-N 3.33Å; E1462-I1467 WeakPolarHBondContact CB-O 3.14Å; E1462-I1467 PolarHBondContact O-N 2.99Å; E1462-I1467 VanDerWaalsContact O-O 3.13Å; E1462-I1469 HydrophobicContact CG-CD1 4.06Å; E1462-I1469 HydrophobicContact CG-CG1 4.16Å; E1462-I1469 VanDerWaalsContact OE1-CB 3.31Å; E1462-I1469 WeakPolarHBondContact OE1-CB 3.39Å; E1462-I1469 PolarHBondContact OE1-N 3.45Å |
| 1463 | T | 79.7 | Confident | 89 | Confident | 120 Ų | 120 | 47.8 Ų | 47.8 | 74% | 0.736 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -46.2 | -173.5 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | D1461 S1465 N1466 | D1461-T1463 VanDerWaalsContact C-N 3.3Å; D1461-T1463 PolarHBondContact O-N 3.17Å; D1461-T1463 WeakPolarHBondContact OD1-CA 3.34Å; D1461-T1463 WeakPolarHBondContact OD1-CB 3.36Å; D1461-T1463 PolarHBondContact OD1-N 2.86Å; D1461-T1463 PolarHBondContact OD1-OG1 2.84Å; T1463-S1465 VanDerWaalsContact C-N 3.26Å; T1463-S1465 PolarHBondContact O-N 3.29Å; T1463-N1466 PolarHBondContact O-N 2.91Å |
| 1464 | E | 79 | Confident | 88.7 | Confident | 136 Ų | 136 | 46.7 Ų | 46.7 | 64% | 0.636 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -36.1 | 176.7 | -63.4 | -177.4 | 129.2 | 0 | 0 | 111.5 | R1361 D1461 | R1361-E1464 IonicContact CZ-OE2 2.79Å; R1361-E1464 VanDerWaalsContact CZ-OE2 3.24Å; R1361-E1464 IonicContact NH1-OE2 3.94Å; R1361-E1464 PolarHBondContact NH1-OE2 3.16Å; R1361-E1464 IonicContact NH2-OE2 3.8Å; R1361-E1464 PolarHBondContact NH2-OE2 3.16Å; D1461-E1464 HydrophobicContact CB-CB 4.14Å; D1461-E1464 HydrophobicContact CB-CG 4.07Å; D1461-E1464 WeakPolarHBondContact CB-OE2 3.5Å; D1461-E1464 PolarHBondContact OD1-N 3.05Å |
| 1465 | S | 79.1 | Confident | 88.5 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5.8 | -172.6 | -43.3 | 0 | 0 | 0 | 0 | 113.7 | D1461 T1463 | D1461-S1465 WeakPolarHBondContact O-CB 3.39Å; D1461-S1465 PolarHBondContact O-N 3.03Å; D1461-S1465 PolarHBondContact O-OG 3.26Å; T1463-S1465 VanDerWaalsContact C-N 3.26Å; T1463-S1465 PolarHBondContact O-N 3.29Å |
| 1466 | N | 86.4 | Confident | 88.5 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 60.8 | -167.8 | -163.4 | 26.8 | 0 | 0 | 0 | 112.6 | Q1443 P1445 V1446 E1462 T1463 | Q1443-N1466 PolarHBondContact O-ND2 2.86Å; P1445-N1466 CarbonylContact C-O 3.48Å; P1445-N1466 WeakPolarHBondContact CA-O 3.33Å; P1445-N1466 VanDerWaalsContact CA-OD1 3.3Å; P1445-N1466 WeakPolarHBondContact CA-OD1 3.4Å; P1445-N1466 WeakPolarHBondContact CB-OD1 3.19Å; V1446-N1466 PolarHBondContact N-O 3.33Å; E1462-N1466 PolarHBondContact O-N 3.33Å; T1463-N1466 PolarHBondContact O-N 2.91Å |
| 1467 | I | 90.5 | Very high | 88.4 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154 | -175.1 | -79 | 170.2 | 0 | 0 | 0 | 109.6 | L1365 M1368 V1446 I1448 I1460 E1462 I1469 | L1365-I1467 HydrophobicContact CD2-CD1 4.15Å; M1368-I1467 HydrophobicContact CE-CD1 3.49Å; M1368-I1467 VanDerWaalsContact CE-CD1 3.49Å; M1368-I1467 HydrophobicContact CE-CG1 4.46Å; V1446-I1467 WeakPolarHBondContact O-CA 3.36Å; I1448-I1467 HydrophobicContact CD1-CB 4.49Å; I1448-I1467 HydrophobicContact CD1-CD1 3.86Å; I1448-I1467 HydrophobicContact CD1-CG1 4.12Å; I1448-I1467 HydrophobicContact CD1-CG2 3.56Å; I1448-I1467 HydrophobicContact CG1-CG2 3.99Å; I1460-I1467 HydrophobicContact CG2-CD1 3.85Å; E1462-I1467 WeakPolarHBondContact CB-O 3.14Å; E1462-I1467 PolarHBondContact O-N 2.99Å; E1462-I1467 VanDerWaalsContact O-O 3.13Å; I1467-I1469 HydrophobicContact CG2-CG1 3.91Å |
| 1468 | I | 92.4 | Very high | 87.9 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.2 | 163.4 | -177.4 | 176.5 | 0 | 0 | 0 | 110.1 | P1445 V1446 P1447 I1448 L1470 A1649 V1650 T1653 | P1445-I1468 HydrophobicContact CB-CB 4.36Å; P1445-I1468 HydrophobicContact CB-CG2 4.25Å; P1445-I1468 HydrophobicContact CG-CB 4.44Å; P1445-I1468 HydrophobicContact CG-CG2 4.2Å; V1446-I1468 PolarHBondContact O-N 3.28Å; P1447-I1468 HydrophobicContact CB-CG2 4.16Å; P1447-I1468 HydrophobicContact CG-CG2 4.4Å; I1448-I1468 PolarHBondContact N-O 3.23Å; I1468-L1470 HydrophobicContact CG1-CD1 4.34Å; I1468-L1470 HydrophobicContact CG2-CD1 4.22Å; I1468-A1649 HydrophobicContact CD1-CB 3.84Å; I1468-A1649 WeakPolarHBondContact CD1-O 3.18Å; I1468-V1650 HydrophobicContact CG1-CG2 4.49Å; I1468-T1653 HydrophobicContact CD1-CG2 4.15Å; I1468-T1653 VanDerWaalsContact CD1-OG1 3.24Å; I1468-T1653 WeakPolarHBondContact CD1-OG1 3.23Å |
| 1469 | I | 94.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.2 | 179.5 | -57.9 | 167.6 | 0 | 0 | 0 | 109.2 | I1448 T1450 V1453 L1456 K1457 E1462 I1467 V1650 | I1448-I1469 WeakPolarHBondContact O-CA 3.39Å; T1450-I1469 HydrophobicContact CG2-CG2 3.66Å; V1453-I1469 HydrophobicContact CB-CG2 4.47Å; V1453-I1469 HydrophobicContact CG1-CG2 4.01Å; V1453-I1469 HydrophobicContact CG2-CG2 4.25Å; L1456-I1469 HydrophobicContact CB-CD1 4.27Å; L1456-I1469 HydrophobicContact CD2-CD1 3.96Å; L1456-I1469 HydrophobicContact CD2-CG1 4.04Å; L1456-I1469 HydrophobicContact CD2-CG2 4.01Å; L1456-I1469 HydrophobicContact CG-CD1 3.86Å; L1456-I1469 HydrophobicContact CG-CG1 4.49Å; K1457-I1469 HydrophobicContact CG-CD1 3.74Å; E1462-I1469 HydrophobicContact CG-CD1 4.06Å; E1462-I1469 HydrophobicContact CG-CG1 4.16Å; E1462-I1469 VanDerWaalsContact OE1-CB 3.31Å; E1462-I1469 WeakPolarHBondContact OE1-CB 3.39Å; E1462-I1469 PolarHBondContact OE1-N 3.45Å; I1467-I1469 HydrophobicContact CG2-CG1 3.91Å; I1469-V1650 WeakPolarHBondContact O-CG2 3.38Å |
| 1470 | L | 95.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.5 | 175.4 | -62.3 | 99.1 | 0 | 0 | 0 | 110.4 | P1447 I1448 I1449 T1450 I1468 V1650 T1653 L1654 | P1447-L1470 HydrophobicContact CB-CD1 4.1Å; I1448-L1470 PolarHBondContact O-N 2.8Å; I1449-L1470 WeakPolarHBondContact CA-O 3.33Å; T1450-L1470 PolarHBondContact N-O 3.06Å; I1468-L1470 HydrophobicContact CG1-CD1 4.34Å; I1468-L1470 HydrophobicContact CG2-CD1 4.22Å; L1470-V1650 HydrophobicContact CD2-CG1 4.37Å; L1470-V1650 HydrophobicContact CG-CG1 4.48Å; L1470-T1653 HydrophobicContact CD2-CG2 4.11Å; L1470-L1654 HydrophobicContact CD2-CD2 3.58Å; L1470-L1654 HydrophobicContact CD2-CG 4.08Å |
| 1471 | P | 94.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 140.9 | 170.9 | -5.2 | 16.9 | 0 | 0 | 0 | 111.9 | V1453 L1473 E1476 S1643 F1644 | V1453-P1471 HydrophobicContact CG2-CB 3.81Å; V1453-P1471 HydrophobicContact CG2-CG 4Å; P1471-L1473 PolarHBondContact O-N 3.1Å; P1471-E1476 HydrophobicContact CB-CG 3.43Å; P1471-E1476 VanDerWaalsContact CB-CG 3.43Å; P1471-E1476 HydrophobicContact CG-CG 4.49Å; P1471-S1643 WeakPolarHBondContact CG-O 3.45Å; P1471-F1644 HydrophobicContact CB-CE1 3.82Å; P1471-F1644 HydrophobicContact CB-CE2 4.41Å; P1471-F1644 HydrophobicContact CB-CZ 3.71Å; P1471-F1644 HydrophobicContact CG-CD1 3.97Å; P1471-F1644 HydrophobicContact CG-CE1 3.62Å; P1471-F1644 HydrophobicContact CG-CZ 3.97Å |
| 1472 | C | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -69.7 | 119.3 | 168.2 | 173.4 | 0 | 0 | 0 | 0 | 109.9 | I1449 T1450 V1474 S1475 E1476 C1789 | I1449-C1472 HydrophobicContact CG2-CB 3.95Å; T1450-C1472 VanDerWaalsContact O-CB 3.29Å; T1450-C1472 WeakPolarHBondContact O-CB 3.32Å; T1450-C1472 PolarHBondContact O-N 3.02Å; C1472-V1474 VanDerWaalsContact C-N 3.27Å; C1472-V1474 PolarHBondContact O-N 2.92Å; C1472-S1475 WeakPolarHBondContact CB-OG 3.5Å; C1472-S1475 PolarHBondContact O-N 3.22Å; C1472-S1475 PolarHBondContact O-OG 3.37Å; C1472-E1476 WeakPolarHBondContact O-CG 3.28Å; C1472-E1476 PolarHBondContact O-N 2.92Å; C1472-E1476 VanDerWaalsContact O-N 3.1Å; C1472-C1789 HydrophobicContact CB-CB 4.23Å; C1472-C1789 VanDerWaalsContact CB-SG 3.54Å; C1472-C1789 PolarHBondContact SG-N 3.15Å; C1472-C1789 VanDerWaalsContact SG-N 3.36Å | ||
| 1473 | L | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.7 | -40.9 | -174.6 | 179.9 | 61.9 | 0 | 0 | 0 | 112.7 | P1471 E1476 L1477 I1595 I1607 I1610 L1611 F1644 L1787 | P1471-L1473 PolarHBondContact O-N 3.1Å; L1473-E1476 PolarHBondContact O-N 2.83Å; L1473-L1477 HydrophobicContact CD1-CD1 4.37Å; L1473-L1477 HydrophobicContact CD1-CG 4.22Å; L1473-L1477 HydrophobicContact CG-CD1 4.09Å; L1473-L1477 HydrophobicContact CG-CG 4.39Å; L1473-L1477 WeakPolarHBondContact O-CB 3.18Å; L1473-L1477 VanDerWaalsContact O-CG 3.26Å; L1473-L1477 WeakPolarHBondContact O-CG 3.44Å; L1473-L1477 PolarHBondContact O-N 3.27Å; L1473-I1595 HydrophobicContact CD2-CD1 4.22Å; L1473-I1607 HydrophobicContact CB-CG1 4.45Å; L1473-I1610 HydrophobicContact CD2-CB 4.16Å; L1473-I1610 HydrophobicContact CD2-CD1 3.9Å; L1473-I1610 HydrophobicContact CD2-CG2 3.96Å; L1473-L1611 HydrophobicContact CD1-CD2 3.76Å; L1473-L1611 HydrophobicContact CD1-CG 4.03Å; L1473-F1644 HydrophobicContact CD1-CE2 4.04Å; L1473-F1644 HydrophobicContact CD1-CZ 4.17Å; L1473-L1787 HydrophobicContact CB-CD1 4.32Å; L1473-L1787 HydrophobicContact CD2-CD1 3.84Å |
| 1474 | V | 86 | Confident | 88.2 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.6 | -35.7 | -177.6 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | C1472 S1478 L1592 I1595 I1788 L1795 L1838 | C1472-V1474 VanDerWaalsContact C-N 3.27Å; C1472-V1474 PolarHBondContact O-N 2.92Å; V1474-S1478 PolarHBondContact O-N 3.37Å; V1474-L1592 HydrophobicContact CB-CD2 4.48Å; V1474-L1592 HydrophobicContact CG1-CD2 4.04Å; V1474-L1592 HydrophobicContact CG2-CD2 4.03Å; V1474-I1595 HydrophobicContact CG2-CD1 4.33Å; V1474-I1595 HydrophobicContact CG2-CG2 4.43Å; V1474-I1788 HydrophobicContact CB-CG2 4.24Å; V1474-I1788 HydrophobicContact CG2-CG2 3.59Å; V1474-L1795 HydrophobicContact CG1-CD2 4.39Å; V1474-L1838 HydrophobicContact CG1-CD1 3.56Å; V1474-L1838 HydrophobicContact CG1-CD2 3.93Å; V1474-L1838 HydrophobicContact CG1-CG 4.42Å |
| 1475 | S | 84.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.014 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71.1 | -42.1 | 174.1 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | N1451 C1472 L1477 S1478 K1479 | N1451-S1475 WeakPolarHBondContact CA-OG 3.41Å; C1472-S1475 WeakPolarHBondContact CB-OG 3.5Å; C1472-S1475 PolarHBondContact O-N 3.22Å; C1472-S1475 PolarHBondContact O-OG 3.37Å; S1475-L1477 PolarHBondContact O-N 3.49Å; S1475-S1478 PolarHBondContact O-N 2.93Å; S1475-S1478 VanDerWaalsContact O-N 3.13Å; S1475-K1479 WeakPolarHBondContact O-CG 3.48Å; S1475-K1479 PolarHBondContact O-N 2.85Å |
| 1476 | E | 89.3 | Confident | 89.1 | Confident | 5 Ų | 5 | 11.7 Ų | 11.7 | 2% | 0.023 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | -179.7 | -61.7 | -45.2 | 104.7 | 0 | 0 | 112.6 | P1471 C1472 L1473 S1478 K1479 A1480 L1640 S1643 F1644 | P1471-E1476 HydrophobicContact CB-CG 3.43Å; P1471-E1476 VanDerWaalsContact CB-CG 3.43Å; P1471-E1476 HydrophobicContact CG-CG 4.49Å; C1472-E1476 WeakPolarHBondContact O-CG 3.28Å; C1472-E1476 PolarHBondContact O-N 2.92Å; C1472-E1476 VanDerWaalsContact O-N 3.1Å; L1473-E1476 PolarHBondContact O-N 2.83Å; E1476-S1478 VanDerWaalsContact C-N 3.27Å; E1476-S1478 PolarHBondContact O-N 2.95Å; E1476-K1479 PolarHBondContact O-N 3.43Å; E1476-K1479 WeakPolarHBondContact OE1-CE 3.46Å; E1476-K1479 IonicContact OE1-NZ 3.93Å; E1476-K1479 PolarHBondContact OE1-NZ 3.47Å; E1476-K1479 IonicContact OE2-NZ 2.64Å; E1476-A1480 VanDerWaalsContact O-CB 3.23Å; E1476-A1480 WeakPolarHBondContact O-CB 3.45Å; E1476-A1480 PolarHBondContact O-N 2.93Å; E1476-L1640 HydrophobicContact CB-CD2 4.18Å; E1476-S1643 VanDerWaalsContact OE2-CB 3.32Å; E1476-S1643 WeakPolarHBondContact OE2-CB 3.37Å; E1476-S1643 PolarHBondContact OE2-OG 2.69Å; E1476-F1644 HydrophobicContact CB-CE2 3.8Å; E1476-F1644 HydrophobicContact CB-CZ 4.35Å; E1476-F1644 HydrophobicContact CG-CE2 3.89Å; E1476-F1644 HydrophobicContact CG-CZ 4.08Å |
| 1477 | L | 88.8 | Confident | 89.3 | Confident | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.5 | -41.7 | 170.3 | -74 | 171.9 | 0 | 0 | 0 | 111.8 | L1473 S1475 L1481 I1588 L1592 L1614 L1640 | L1473-L1477 HydrophobicContact CD1-CD1 4.37Å; L1473-L1477 HydrophobicContact CD1-CG 4.22Å; L1473-L1477 HydrophobicContact CG-CD1 4.09Å; L1473-L1477 HydrophobicContact CG-CG 4.39Å; L1473-L1477 WeakPolarHBondContact O-CB 3.18Å; L1473-L1477 VanDerWaalsContact O-CG 3.26Å; L1473-L1477 WeakPolarHBondContact O-CG 3.44Å; L1473-L1477 PolarHBondContact O-N 3.27Å; S1475-L1477 PolarHBondContact O-N 3.49Å; L1477-L1481 PolarHBondContact O-N 3.42Å; L1477-I1588 HydrophobicContact CB-CG2 4.45Å; L1477-I1588 HydrophobicContact CD2-CG2 4.43Å; L1477-L1592 HydrophobicContact CD1-CD2 4.11Å; L1477-L1614 HydrophobicContact CD2-CD2 3.35Å; L1477-L1640 HydrophobicContact CD2-CD1 4.05Å; L1477-L1640 HydrophobicContact CD2-CD2 4.23Å |
| 1478 | S | 81.5 | Confident | 89.2 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -72.8 | -39.8 | 179.1 | -164.8 | 0 | 0 | 0 | 0 | 113 | V1474 S1475 E1476 L1482 L1834 L1835 | V1474-S1478 PolarHBondContact O-N 3.37Å; S1475-S1478 PolarHBondContact O-N 2.93Å; S1475-S1478 VanDerWaalsContact O-N 3.13Å; E1476-S1478 VanDerWaalsContact C-N 3.27Å; E1476-S1478 PolarHBondContact O-N 2.95Å; S1478-L1482 WeakPolarHBondContact O-CB 3.42Å; S1478-L1482 PolarHBondContact O-N 3.09Å; S1478-L1834 VanDerWaalsContact CB-CD2 3.47Å; S1478-L1834 VanDerWaalsContact OG-CA 3.3Å; S1478-L1834 WeakPolarHBondContact OG-CA 3.25Å; S1478-L1834 WeakPolarHBondContact OG-CD2 3.35Å; S1478-L1835 PolarHBondContact OG-N 3.06Å |
| 1479 | K | 84 | Confident | 89.1 | Confident | 44 Ų | 44 | 16.5 Ų | 16.5 | 19% | 0.191 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.2 | -68.4 | 178.9 | -165 | 164.6 | 0 | 111.1 | N1451 S1475 E1476 L1481 L1482 V1483 Y1639 | N1451-K1479 VanDerWaalsContact O-CE 3.31Å; N1451-K1479 WeakPolarHBondContact O-CE 3.35Å; N1451-K1479 PolarHBondContact O-NZ 3.46Å; S1475-K1479 WeakPolarHBondContact O-CG 3.48Å; S1475-K1479 PolarHBondContact O-N 2.85Å; E1476-K1479 PolarHBondContact O-N 3.43Å; E1476-K1479 WeakPolarHBondContact OE1-CE 3.46Å; E1476-K1479 IonicContact OE1-NZ 3.93Å; E1476-K1479 PolarHBondContact OE1-NZ 3.47Å; E1476-K1479 IonicContact OE2-NZ 2.64Å; K1479-L1481 VanDerWaalsContact C-N 3.32Å; K1479-L1481 PolarHBondContact O-N 2.93Å; K1479-L1482 CarbonylContact O-C 3.55Å; K1479-L1482 WeakPolarHBondContact O-CA 3.25Å; K1479-L1482 WeakPolarHBondContact O-CB 3.37Å; K1479-L1482 PolarHBondContact O-N 3.11Å; K1479-V1483 VanDerWaalsContact O-CG2 3.26Å; K1479-V1483 WeakPolarHBondContact O-CG2 3.24Å; K1479-V1483 PolarHBondContact O-N 3.04Å; K1479-Y1639 HydrophobicContact CB-CE1 3.58Å; K1479-Y1639 HydrophobicContact CD-CE1 4.38Å; K1479-Y1639 WeakPolarHBondContact CD-OH 3.26Å |
| 1480 | A | 90.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.8 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1476 G1484 I1636 Y1639 L1640 | E1476-A1480 VanDerWaalsContact O-CB 3.23Å; E1476-A1480 WeakPolarHBondContact O-CB 3.45Å; E1476-A1480 PolarHBondContact O-N 2.93Å; A1480-G1484 PolarHBondContact O-N 3.28Å; A1480-I1636 HydrophobicContact CB-CB 4.49Å; A1480-I1636 HydrophobicContact CB-CG2 3.89Å; A1480-Y1639 HydrophobicContact CB-CD1 3.62Å; A1480-Y1639 HydrophobicContact CB-CE1 4.5Å; A1480-Y1639 HydrophobicContact CB-CG 4.09Å; A1480-L1640 HydrophobicContact CB-CD1 4.4Å; A1480-L1640 HydrophobicContact CB-CD2 3.95Å; A1480-L1640 HydrophobicContact CB-CG 3.8Å |
| 1481 | L | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 173.6 | -86.4 | 167 | 0 | 0 | 0 | 112.6 | L1477 K1479 G1484 L1485 V1584 F1585 I1588 F1632 I1636 L1835 | L1477-L1481 PolarHBondContact O-N 3.42Å; K1479-L1481 VanDerWaalsContact C-N 3.32Å; K1479-L1481 PolarHBondContact O-N 2.93Å; L1481-G1484 PolarHBondContact O-N 3.22Å; L1481-L1485 WeakPolarHBondContact O-CG 3.4Å; L1481-L1485 PolarHBondContact O-N 2.88Å; L1481-V1584 HydrophobicContact CD2-CG1 4.48Å; L1481-F1585 HydrophobicContact CD1-CD1 4.15Å; L1481-F1585 HydrophobicContact CD1-CE1 4.13Å; L1481-F1585 HydrophobicContact CD2-CD1 4.18Å; L1481-F1585 HydrophobicContact CD2-CE1 3.83Å; L1481-F1585 HydrophobicContact CD2-CZ 4.23Å; L1481-F1585 HydrophobicContact CG-CE1 4.45Å; L1481-I1588 HydrophobicContact CD1-CB 4.01Å; L1481-I1588 HydrophobicContact CD1-CD1 3.54Å; L1481-I1588 HydrophobicContact CD1-CG1 4.36Å; L1481-I1588 HydrophobicContact CD1-CG2 3.74Å; L1481-I1588 HydrophobicContact CD2-CD1 4.01Å; L1481-I1588 HydrophobicContact CG-CD1 3.73Å; L1481-F1632 HydrophobicContact CD2-CE1 3.94Å; L1481-F1632 HydrophobicContact CD2-CE2 3.97Å; L1481-F1632 HydrophobicContact CD2-CZ 3.34Å; L1481-I1636 HydrophobicContact CD2-CD1 3.52Å; L1481-I1636 HydrophobicContact CD2-CG1 4.2Å; L1481-I1636 HydrophobicContact CG-CD1 4.21Å; L1481-I1636 HydrophobicContact CG-CG1 4.47Å; L1481-L1835 HydrophobicContact CB-CD1 3.61Å; L1481-L1835 HydrophobicContact CD1-CD1 3.38Å; L1481-L1835 HydrophobicContact CD1-CD2 3.35Å; L1481-L1835 HydrophobicContact CD1-CG 3.96Å; L1481-L1835 HydrophobicContact CG-CD1 4.13Å |
| 1482 | L | 84.4 | Confident | 88.2 | Confident | 13 Ų | 13 | 21.3 Ų | 21.3 | 7% | 0.068 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | 176.8 | -168 | 71.4 | 0 | 0 | 0 | 112.4 | S1478 K1479 N1486 C1527 F1828 P1829 | S1478-L1482 WeakPolarHBondContact O-CB 3.42Å; S1478-L1482 PolarHBondContact O-N 3.09Å; K1479-L1482 CarbonylContact O-C 3.55Å; K1479-L1482 WeakPolarHBondContact O-CA 3.25Å; K1479-L1482 WeakPolarHBondContact O-CB 3.37Å; K1479-L1482 PolarHBondContact O-N 3.11Å; L1482-N1486 PolarHBondContact O-N 2.76Å; L1482-C1527 HydrophobicContact CD1-CB 4.28Å; L1482-F1828 HydrophobicContact CD1-CD1 4.12Å; L1482-F1828 HydrophobicContact CD1-CE1 3.65Å; L1482-F1828 HydrophobicContact CG-CD1 4.08Å; L1482-F1828 HydrophobicContact CG-CE1 3.9Å; L1482-F1828 WeakPolarHBondContact O-CE1 3.4Å; L1482-P1829 WeakPolarHBondContact CD2-O 3.32Å |
| 1483 | V | 88.4 | Confident | 88.1 | Confident | 58 Ų | 58 | 22.3 Ų | 22.3 | 35% | 0.352 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -73.9 | -34.4 | 173.8 | 103.2 | 0 | 0 | 0 | 0 | 111.8 | K1479 L1485 N1486 T1487 T1635 Y1639 | K1479-V1483 VanDerWaalsContact O-CG2 3.26Å; K1479-V1483 WeakPolarHBondContact O-CG2 3.24Å; K1479-V1483 PolarHBondContact O-N 3.04Å; V1483-L1485 VanDerWaalsContact C-N 3.35Å; V1483-L1485 PolarHBondContact O-N 3.4Å; V1483-N1486 PolarHBondContact O-N 3.04Å; V1483-N1486 VanDerWaalsContact O-N 3.07Å; V1483-T1487 PolarHBondContact O-N 3.43Å; V1483-T1635 HydrophobicContact CG1-CG2 3.75Å; V1483-Y1639 HydrophobicContact CG1-CD2 3.89Å; V1483-Y1639 HydrophobicContact CG1-CG 4.37Å; V1483-Y1639 HydrophobicContact CG2-CD2 3.78Å; V1483-Y1639 HydrophobicContact CG2-CE2 3.79Å |
| 1484 | G | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.3 | -47.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1480 L1481 N1486 T1487 | A1480-G1484 PolarHBondContact O-N 3.28Å; L1481-G1484 PolarHBondContact O-N 3.22Å; G1484-N1486 PolarHBondContact O-N 3.13Å; G1484-T1487 WeakPolarHBondContact O-CB 3.48Å; G1484-T1487 VanDerWaalsContact O-CG2 3.29Å; G1484-T1487 WeakPolarHBondContact O-CG2 3.19Å; G1484-T1487 PolarHBondContact O-N 3.14Å; G1484-T1487 PolarHBondContact O-OG1 3.2Å |
| 1485 | L | 89 | Confident | 87.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -18.4 | 176 | -73.8 | -176.2 | 0 | 0 | 0 | 114.4 | L1481 V1483 I1490 I1494 C1528 V1531 F1585 F1632 F1828 | L1481-L1485 WeakPolarHBondContact O-CG 3.4Å; L1481-L1485 PolarHBondContact O-N 2.88Å; V1483-L1485 VanDerWaalsContact C-N 3.35Å; V1483-L1485 PolarHBondContact O-N 3.4Å; L1485-I1490 HydrophobicContact CD2-CG2 3.94Å; L1485-I1494 HydrophobicContact CD2-CD1 4.02Å; L1485-C1528 HydrophobicContact CD1-CB 4.32Å; L1485-V1531 HydrophobicContact CD1-CB 4.23Å; L1485-V1531 HydrophobicContact CD1-CG1 4.32Å; L1485-V1531 HydrophobicContact CD1-CG2 4.13Å; L1485-V1531 HydrophobicContact CD2-CG1 3.91Å; L1485-F1585 HydrophobicContact CD1-CZ 4.08Å; L1485-F1585 HydrophobicContact CD2-CE2 4.28Å; L1485-F1585 HydrophobicContact CD2-CZ 3.94Å; L1485-F1585 HydrophobicContact CG-CZ 4.2Å; L1485-F1632 HydrophobicContact CD2-CE2 4Å; L1485-F1632 HydrophobicContact CD2-CZ 4.07Å; L1485-F1632 HydrophobicContact CG-CE2 4.23Å; L1485-F1632 HydrophobicContact CG-CZ 4.47Å; L1485-F1828 HydrophobicContact CB-CZ 4.35Å |
| 1486 | N | 87 | Confident | 87.9 | Confident | 41 Ų | 41 | 27.5 Ų | 27.5 | 22% | 0.219 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 5.6 | 177.7 | -158.9 | 12.5 | 0 | 0 | 0 | 113.4 | L1482 V1483 G1484 R1491 F1828 | L1482-N1486 PolarHBondContact O-N 2.76Å; V1483-N1486 PolarHBondContact O-N 3.04Å; V1483-N1486 VanDerWaalsContact O-N 3.07Å; G1484-N1486 PolarHBondContact O-N 3.13Å; N1486-R1491 PolarHBondContact O-NH2 2.66Å; N1486-R1491 PolarHBondContact OD1-NE 2.87Å; N1486-F1828 HydrophobicContact CB-CD1 3.92Å; N1486-F1828 HydrophobicContact CB-CD2 4.24Å; N1486-F1828 HydrophobicContact CB-CE1 3.73Å; N1486-F1828 HydrophobicContact CB-CE2 4.07Å; N1486-F1828 HydrophobicContact CB-CG 4.15Å; N1486-F1828 HydrophobicContact CB-CZ 3.8Å; N1486-F1828 WeakPolarHBondContact ND2-CB 3.3Å; N1486-F1828 WeakPolarHBondContact ND2-CG 3.22Å; N1486-F1828 WeakPolarHBondContact OD1-CD2 3.5Å |
| 1487 | T | 90.5 | Very high | 87.8 | Confident | 16 Ų | 16 | 27.2 Ų | 27.2 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -57.5 | 150.6 | 164.6 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | V1483 G1484 I1489 I1490 R1491 E1631 T1635 | V1483-T1487 PolarHBondContact O-N 3.43Å; G1484-T1487 WeakPolarHBondContact O-CB 3.48Å; G1484-T1487 VanDerWaalsContact O-CG2 3.29Å; G1484-T1487 WeakPolarHBondContact O-CG2 3.19Å; G1484-T1487 PolarHBondContact O-N 3.14Å; G1484-T1487 PolarHBondContact O-OG1 3.2Å; T1487-I1489 PolarHBondContact O-N 3.14Å; T1487-I1490 WeakPolarHBondContact OG1-CB 3.15Å; T1487-I1490 WeakPolarHBondContact OG1-CD1 3.18Å; T1487-I1490 VanDerWaalsContact OG1-CG1 3.29Å; T1487-I1490 WeakPolarHBondContact OG1-CG1 3.3Å; T1487-R1491 WeakPolarHBondContact O-CB 3.29Å; T1487-R1491 PolarHBondContact O-N 3.26Å; T1487-E1631 WeakPolarHBondContact CB-OE1 3.26Å; T1487-E1631 HydrophobicContact CG2-CG 4.21Å; T1487-T1635 HydrophobicContact CG2-CG2 3.99Å |
| 1488 | D | 88.8 | Confident | 87.6 | Confident | 69 Ų | 69 | 27.5 Ų | 27.5 | 37% | 0.369 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67 | -37.7 | -174.8 | -78.5 | -49.7 | 0 | 0 | 0 | 112.6 | R1491 N1492 K1825 | D1488-R1491 IonicContact OD1-CZ 3.68Å; D1488-R1491 IonicContact OD1-NH1 3.97Å; D1488-R1491 PolarHBondContact OD1-NH1 2.96Å; D1488-R1491 IonicContact OD1-NH2 2.74Å; D1488-R1491 PolarHBondContact OD1-NH2 3.07Å; D1488-N1492 WeakPolarHBondContact O-CB 3.29Å; D1488-N1492 PolarHBondContact O-N 3.49Å; D1488-N1492 PolarHBondContact O-ND2 3.42Å; D1488-K1825 WeakPolarHBondContact OD1-CE 3.39Å; D1488-K1825 IonicContact OD1-NZ 2.84Å; D1488-K1825 PolarHBondContact OD1-NZ 2.85Å; D1488-K1825 IonicContact OD2-NZ 2.7Å; D1488-K1825 PolarHBondContact OD2-NZ 3.32Å |
| 1489 | I | 89.2 | Confident | 87.7 | Confident | 89 Ų | 89 | 32.3 Ų | 32.3 | 46% | 0.456 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.5 | -43.5 | -178.2 | -48.6 | -165.3 | 0 | 0 | 0 | 110.6 | T1487 N1492 L1493 I1628 E1631 | T1487-I1489 PolarHBondContact O-N 3.14Å; I1489-N1492 PolarHBondContact O-N 3.17Å; I1489-L1493 PolarHBondContact O-N 2.85Å; I1489-I1628 HydrophobicContact CB-CD1 4.43Å; I1489-I1628 HydrophobicContact CB-CG1 4.25Å; I1489-I1628 HydrophobicContact CG2-CB 4.26Å; I1489-I1628 HydrophobicContact CG2-CD1 3.68Å; I1489-I1628 HydrophobicContact CG2-CG1 3.77Å; I1489-E1631 WeakPolarHBondContact CB-OE2 3.3Å; I1489-E1631 VanDerWaalsContact CD1-OE2 3.25Å; I1489-E1631 WeakPolarHBondContact CD1-OE2 3.5Å; I1489-E1631 VanDerWaalsContact CG1-OE2 3.22Å; I1489-E1631 WeakPolarHBondContact CG1-OE2 3.26Å |
| 1490 | I | 89.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.2 | -38.2 | 178.2 | -57.5 | 177.7 | 0 | 0 | 0 | 111.6 | L1485 T1487 N1492 L1493 I1494 I1581 I1628 F1632 | L1485-I1490 HydrophobicContact CD2-CG2 3.94Å; T1487-I1490 WeakPolarHBondContact OG1-CB 3.15Å; T1487-I1490 WeakPolarHBondContact OG1-CD1 3.18Å; T1487-I1490 VanDerWaalsContact OG1-CG1 3.29Å; T1487-I1490 WeakPolarHBondContact OG1-CG1 3.3Å; I1490-N1492 PolarHBondContact O-N 2.64Å; I1490-L1493 WeakPolarHBondContact O-CB 3.31Å; I1490-L1493 PolarHBondContact O-N 3Å; I1490-I1494 HydrophobicContact CG2-CD1 3.8Å; I1490-I1494 HydrophobicContact CG2-CG1 4.34Å; I1490-I1494 WeakPolarHBondContact O-CG1 3.5Å; I1490-I1494 PolarHBondContact O-N 3.39Å; I1490-I1581 HydrophobicContact CG1-CD1 4.41Å; I1490-I1628 HydrophobicContact CD1-CG1 4.49Å; I1490-I1628 HydrophobicContact CG1-CD1 3.94Å; I1490-I1628 HydrophobicContact CG1-CG1 3.68Å; I1490-F1632 HydrophobicContact CD1-CB 3.55Å; I1490-F1632 HydrophobicContact CD1-CD2 3.27Å; I1490-F1632 HydrophobicContact CD1-CE2 4.05Å; I1490-F1632 HydrophobicContact CD1-CG 3.56Å |
| 1491 | R | 88.2 | Confident | 87.2 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -32.3 | 172.6 | 172.1 | 149.7 | 42.2 | 54 | 9.2 | 112.1 | N1486 T1487 D1488 K1495 Y1820 | N1486-R1491 PolarHBondContact O-NH2 2.66Å; N1486-R1491 PolarHBondContact OD1-NE 2.87Å; T1487-R1491 WeakPolarHBondContact O-CB 3.29Å; T1487-R1491 PolarHBondContact O-N 3.26Å; D1488-R1491 IonicContact OD1-CZ 3.68Å; D1488-R1491 IonicContact OD1-NH1 3.97Å; D1488-R1491 PolarHBondContact OD1-NH1 2.96Å; D1488-R1491 IonicContact OD1-NH2 2.74Å; D1488-R1491 PolarHBondContact OD1-NH2 3.07Å; R1491-K1495 WeakPolarHBondContact O-CB 3.45Å; R1491-K1495 WeakPolarHBondContact O-CD 3.21Å; R1491-K1495 WeakPolarHBondContact O-CG 3.13Å; R1491-K1495 PolarHBondContact O-N 3.46Å; R1491-Y1820 HydrophobicContact CB-CD1 4.27Å; R1491-Y1820 HydrophobicContact CB-CE1 4.39Å; R1491-Y1820 HydrophobicContact CG-CD1 3.95Å; R1491-Y1820 HydrophobicContact CG-CE1 4.49Å |
| 1492 | N | 87.9 | Confident | 86.6 | Confident | 84 Ų | 84 | 36.1 Ų | 36.1 | 45% | 0.449 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -74.9 | -40.4 | 172.9 | -71.5 | -14.4 | 0 | 0 | 0 | 112.7 | D1488 I1489 I1490 I1494 K1495 N1496 | D1488-N1492 WeakPolarHBondContact O-CB 3.29Å; D1488-N1492 PolarHBondContact O-N 3.49Å; D1488-N1492 PolarHBondContact O-ND2 3.42Å; I1489-N1492 PolarHBondContact O-N 3.17Å; I1490-N1492 PolarHBondContact O-N 2.64Å; N1492-I1494 PolarHBondContact O-N 2.88Å; N1492-K1495 WeakPolarHBondContact O-CB 3.49Å; N1492-K1495 PolarHBondContact O-N 2.99Å; N1492-N1496 PolarHBondContact O-N 2.89Å |
| 1493 | L | 89.6 | Confident | 86.1 | Confident | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.2 | -48.9 | 171.2 | 175.6 | 64.4 | 0 | 0 | 0 | 111.1 | I1489 I1490 N1496 L1497 I1573 I1581 I1628 | I1489-L1493 PolarHBondContact O-N 2.85Å; I1490-L1493 WeakPolarHBondContact O-CB 3.31Å; I1490-L1493 PolarHBondContact O-N 3Å; L1493-N1496 PolarHBondContact O-N 2.83Å; L1493-N1496 VanDerWaalsContact O-N 3.12Å; L1493-L1497 HydrophobicContact CD1-CD1 4.22Å; L1493-L1497 HydrophobicContact CD1-CG 4.3Å; L1493-L1497 HydrophobicContact CG-CD1 3.98Å; L1493-L1497 HydrophobicContact CG-CG 4.48Å; L1493-L1497 WeakPolarHBondContact O-CG 3.22Å; L1493-L1497 PolarHBondContact O-N 2.77Å; L1493-I1573 HydrophobicContact CD1-CG2 3.39Å; L1493-I1581 HydrophobicContact CD2-CD1 3.5Å; L1493-I1628 HydrophobicContact CB-CD1 4.18Å; L1493-I1628 HydrophobicContact CD2-CD1 3.85Å |
| 1494 | I | 87.1 | Confident | 85.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 179.9 | -66.5 | 167.3 | 0 | 0 | 0 | 111.2 | L1485 I1490 N1492 N1496 L1497 L1498 V1531 L1534 Y1820 | L1485-I1494 HydrophobicContact CD2-CD1 4.02Å; I1490-I1494 HydrophobicContact CG2-CD1 3.8Å; I1490-I1494 HydrophobicContact CG2-CG1 4.34Å; I1490-I1494 WeakPolarHBondContact O-CG1 3.5Å; I1490-I1494 PolarHBondContact O-N 3.39Å; N1492-I1494 PolarHBondContact O-N 2.88Å; I1494-N1496 VanDerWaalsContact C-N 3.27Å; I1494-N1496 PolarHBondContact O-N 3.25Å; I1494-L1497 PolarHBondContact O-N 2.96Å; I1494-L1498 HydrophobicContact CG2-CD1 3.91Å; I1494-L1498 HydrophobicContact CG2-CG 4.3Å; I1494-L1498 WeakPolarHBondContact O-CB 3.49Å; I1494-L1498 VanDerWaalsContact O-CG 3.22Å; I1494-L1498 WeakPolarHBondContact O-CG 3.21Å; I1494-L1498 PolarHBondContact O-N 3.43Å; I1494-V1531 HydrophobicContact CD1-CG1 3.69Å; I1494-V1531 HydrophobicContact CD1-CG2 4.03Å; I1494-V1531 HydrophobicContact CG1-CG1 4.28Å; I1494-L1534 HydrophobicContact CG2-CD2 4.41Å; I1494-Y1820 HydrophobicContact CB-CD1 3.92Å; I1494-Y1820 HydrophobicContact CB-CE1 4.03Å; I1494-Y1820 HydrophobicContact CB-CG 4.36Å; I1494-Y1820 HydrophobicContact CD1-CD1 4.37Å; I1494-Y1820 HydrophobicContact CD1-CE1 3.6Å; I1494-Y1820 HydrophobicContact CG1-CE1 4.42Å; I1494-Y1820 HydrophobicContact CG2-CD1 3.67Å; I1494-Y1820 HydrophobicContact CG2-CD2 3.77Å; I1494-Y1820 HydrophobicContact CG2-CE1 3.9Å; I1494-Y1820 HydrophobicContact CG2-CE2 3.99Å; I1494-Y1820 HydrophobicContact CG2-CG 3.62Å |
| 1495 | K | 86.1 | Confident | 84.2 | Confident | 52 Ų | 52 | 40.9 Ų | 40.9 | 23% | 0.226 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.8 | -42.1 | 170.6 | -79 | 166.7 | -173.1 | -78 | 0 | 111.7 | R1491 N1492 K1499 Y1820 S1822 | R1491-K1495 WeakPolarHBondContact O-CB 3.45Å; R1491-K1495 WeakPolarHBondContact O-CD 3.21Å; R1491-K1495 WeakPolarHBondContact O-CG 3.13Å; R1491-K1495 PolarHBondContact O-N 3.46Å; N1492-K1495 WeakPolarHBondContact O-CB 3.49Å; N1492-K1495 PolarHBondContact O-N 2.99Å; K1495-K1499 WeakPolarHBondContact O-CG 3.46Å; K1495-K1499 PolarHBondContact O-N 2.97Å; K1495-Y1820 WeakPolarHBondContact CE-O 3.5Å; K1495-Y1820 WeakPolarHBondContact CG-O 3.41Å; K1495-Y1820 PolarHBondContact NZ-O 3.33Å; K1495-S1822 PolarHBondContact NZ-O 3.11Å |
| 1496 | N | 86.1 | Confident | 82.5 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -74.5 | -41 | -180 | -75.2 | -7.2 | 0 | 0 | 0 | 112.8 | N1492 L1493 I1494 L1498 K1499 V1500 I1573 | N1492-N1496 PolarHBondContact O-N 2.89Å; L1493-N1496 PolarHBondContact O-N 2.83Å; L1493-N1496 VanDerWaalsContact O-N 3.12Å; I1494-N1496 VanDerWaalsContact C-N 3.27Å; I1494-N1496 PolarHBondContact O-N 3.25Å; N1496-L1498 VanDerWaalsContact C-N 3.29Å; N1496-L1498 PolarHBondContact O-N 2.81Å; N1496-K1499 WeakPolarHBondContact O-CB 3.45Å; N1496-K1499 PolarHBondContact O-N 3.44Å; N1496-K1499 PolarHBondContact OD1-NZ 2.97Å; N1496-V1500 PolarHBondContact O-N 3.24Å; N1496-I1573 HydrophobicContact CB-CD1 3.94Å |
| 1497 | L | 86.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 172.7 | -70.8 | 169.3 | 0 | 0 | 0 | 112.1 | L1493 I1494 V1500 Y1501 L1534 L1535 Y1538 I1573 V1578 | L1493-L1497 HydrophobicContact CD1-CD1 4.22Å; L1493-L1497 HydrophobicContact CD1-CG 4.3Å; L1493-L1497 HydrophobicContact CG-CD1 3.98Å; L1493-L1497 HydrophobicContact CG-CG 4.48Å; L1493-L1497 WeakPolarHBondContact O-CG 3.22Å; L1493-L1497 PolarHBondContact O-N 2.77Å; I1494-L1497 PolarHBondContact O-N 2.96Å; L1497-V1500 PolarHBondContact O-N 3.43Å; L1497-Y1501 PolarHBondContact O-N 2.98Å; L1497-L1534 HydrophobicContact CB-CD2 4.15Å; L1497-L1534 HydrophobicContact CB-CG 4.39Å; L1497-L1535 HydrophobicContact CD1-CD2 3.61Å; L1497-Y1538 HydrophobicContact CD2-CD1 3.77Å; L1497-Y1538 HydrophobicContact CD2-CD2 3.63Å; L1497-Y1538 HydrophobicContact CD2-CE1 4.2Å; L1497-Y1538 HydrophobicContact CD2-CE2 4.07Å; L1497-Y1538 HydrophobicContact CD2-CG 3.47Å; L1497-Y1538 VanDerWaalsContact CD2-CG 3.47Å; L1497-I1573 HydrophobicContact CD2-CD1 4.23Å; L1497-I1573 HydrophobicContact CD2-CG2 3.98Å; L1497-I1573 HydrophobicContact CG-CG2 4.42Å; L1497-V1578 HydrophobicContact CD2-CG2 4.45Å |
| 1498 | L | 85.1 | Confident | 78.7 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 175.1 | -72.5 | 167.7 | 0 | 0 | 0 | 112.6 | I1494 N1496 Y1501 Q1502 L1534 L1813 L1816 | I1494-L1498 HydrophobicContact CG2-CD1 3.91Å; I1494-L1498 HydrophobicContact CG2-CG 4.3Å; I1494-L1498 WeakPolarHBondContact O-CB 3.49Å; I1494-L1498 VanDerWaalsContact O-CG 3.22Å; I1494-L1498 WeakPolarHBondContact O-CG 3.21Å; I1494-L1498 PolarHBondContact O-N 3.43Å; N1496-L1498 VanDerWaalsContact C-N 3.29Å; N1496-L1498 PolarHBondContact O-N 2.81Å; L1498-Y1501 PolarHBondContact O-N 3.41Å; L1498-Q1502 VanDerWaalsContact O-CG 3.26Å; L1498-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1498-Q1502 PolarHBondContact O-N 3.33Å; L1498-L1534 HydrophobicContact CD2-CD2 3.73Å; L1498-L1534 HydrophobicContact CG-CD2 3.91Å; L1498-L1813 HydrophobicContact CD2-CD1 3.7Å; L1498-L1813 HydrophobicContact CD2-CG 3.79Å; L1498-L1816 HydrophobicContact CD1-CB 4.1Å; L1498-L1816 HydrophobicContact CD2-CB 3.8Å; L1498-L1816 HydrophobicContact CD2-CD1 4.36Å |
| 1499 | K | 83.3 | Confident | 76.5 | Confident | 103 Ų | 103 | 61 Ų | 61 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.1 | -48.9 | 171.7 | -66.3 | 169.2 | -172.3 | 165.9 | 0 | 110.8 | K1495 N1496 Y1501 Q1502 C1503 | K1495-K1499 WeakPolarHBondContact O-CG 3.46Å; K1495-K1499 PolarHBondContact O-N 2.97Å; N1496-K1499 WeakPolarHBondContact O-CB 3.45Å; N1496-K1499 PolarHBondContact O-N 3.44Å; N1496-K1499 PolarHBondContact OD1-NZ 2.97Å; K1499-Y1501 VanDerWaalsContact C-N 3.32Å; K1499-Y1501 PolarHBondContact O-N 3.28Å; K1499-Q1502 PolarHBondContact O-N 2.71Å; K1499-Q1502 VanDerWaalsContact O-N 3.11Å; K1499-C1503 PolarHBondContact O-N 3.46Å; K1499-C1503 PolarHBondContact O-SG 3.07Å |
| 1500 | V | 83.1 | Confident | 74 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | -178.4 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | N1496 L1497 C1503 K1504 W1537 Y1538 I1573 | N1496-V1500 PolarHBondContact O-N 3.24Å; L1497-V1500 PolarHBondContact O-N 3.43Å; V1500-C1503 PolarHBondContact O-N 2.81Å; V1500-K1504 PolarHBondContact O-N 3.06Å; V1500-W1537 HydrophobicContact CG1-CH2 4.35Å; V1500-Y1538 HydrophobicContact CG1-CD2 4.46Å; V1500-Y1538 HydrophobicContact CG1-CE2 4.15Å; V1500-I1573 HydrophobicContact CG2-CD1 3.76Å |
| 1501 | Y | 81.1 | Confident | 71.1 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 171.8 | -173.7 | -76.2 | 0 | 0 | 0 | 112.2 | L1497 L1498 K1499 C1503 K1504 T1505 L1534 W1537 P1809 D1810 L1813 | L1497-Y1501 PolarHBondContact O-N 2.98Å; L1498-Y1501 PolarHBondContact O-N 3.41Å; K1499-Y1501 VanDerWaalsContact C-N 3.32Å; K1499-Y1501 PolarHBondContact O-N 3.28Å; Y1501-C1503 PolarHBondContact O-N 3.22Å; Y1501-K1504 PolarHBondContact O-N 2.8Å; Y1501-T1505 HydrophobicContact CD1-CG2 3.83Å; Y1501-T1505 HydrophobicContact CE1-CG2 3.39Å; Y1501-T1505 HydrophobicContact CE2-CG2 4.5Å; Y1501-T1505 WeakPolarHBondContact O-CB 3.26Å; Y1501-T1505 PolarHBondContact O-N 3.35Å; Y1501-T1505 PolarHBondContact O-OG1 2.98Å; Y1501-L1534 HydrophobicContact CD2-CD1 4.17Å; Y1501-W1537 VanDerWaalsContact CA-CH2 3.42Å; Y1501-W1537 AromaticContact CD2-CD2 3.6Å; Y1501-W1537 HydrophobicContact CD2-CD2 3.6Å; Y1501-W1537 AromaticContact CD2-CE2 3.64Å; Y1501-W1537 AromaticContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CG 4.26Å; Y1501-W1537 AromaticContact CD2-CH2 3.96Å; Y1501-W1537 HydrophobicContact CD2-CH2 3.96Å; Y1501-W1537 AromaticContact CD2-CZ2 3.83Å; Y1501-W1537 HydrophobicContact CD2-CZ2 3.83Å; Y1501-W1537 AromaticContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CE2-CD2 4.1Å; Y1501-W1537 HydrophobicContact CE2-CG 4.33Å; Y1501-W1537 HydrophobicContact CG-CH2 4.25Å; Y1501-W1537 HydrophobicContact CG-CZ2 4.38Å; Y1501-W1537 HydrophobicContact CG-CZ3 4.31Å; Y1501-P1809 WeakPolarHBondContact OH-CB 3.48Å; Y1501-D1810 PolarHBondContact OH-OD1 3.43Å; Y1501-L1813 HydrophobicContact CD1-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CD1-CD1 3.41Å; Y1501-L1813 HydrophobicContact CD1-CD2 3.32Å; Y1501-L1813 HydrophobicContact CD1-CG 3.94Å; Y1501-L1813 HydrophobicContact CD2-CD1 3.69Å; Y1501-L1813 HydrophobicContact CE1-CB 4.47Å; Y1501-L1813 HydrophobicContact CE1-CD1 3.7Å; Y1501-L1813 HydrophobicContact CE1-CD2 3.53Å; Y1501-L1813 HydrophobicContact CE1-CG 4.05Å; Y1501-L1813 HydrophobicContact CE2-CD1 3.95Å; Y1501-L1813 HydrophobicContact CG-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CG-CD1 3.41Å; Y1501-L1813 HydrophobicContact CG-CD2 4.16Å; Y1501-L1813 HydrophobicContact CG-CG 4.4Å |
| 1502 | Q | 76.6 | Confident | 68.2 | Low | 74 Ų | 74 | 79.7 Ų | 79.7 | 35% | 0.346 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.8 | -71.2 | 167 | 4 | 0 | 0 | 111.6 | L1498 K1499 T1505 M1506 L1813 T1817 | L1498-Q1502 VanDerWaalsContact O-CG 3.26Å; L1498-Q1502 WeakPolarHBondContact O-CG 3.22Å; L1498-Q1502 PolarHBondContact O-N 3.33Å; K1499-Q1502 PolarHBondContact O-N 2.71Å; K1499-Q1502 VanDerWaalsContact O-N 3.11Å; Q1502-T1505 PolarHBondContact O-OG1 3.43Å; Q1502-M1506 WeakPolarHBondContact O-CB 3.32Å; Q1502-M1506 WeakPolarHBondContact O-CG 3.32Å; Q1502-M1506 PolarHBondContact O-N 3.29Å; Q1502-L1813 HydrophobicContact CG-CD2 4.35Å; Q1502-T1817 PolarHBondContact NE2-OG1 3.12Å |
| 1503 | C | 73.4 | Confident | 65.5 | Low | 74 Ų | 74 | 81.4 Ų | 81.4 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 176.1 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | K1499 V1500 Y1501 | K1499-C1503 PolarHBondContact O-N 3.46Å; K1499-C1503 PolarHBondContact O-SG 3.07Å; V1500-C1503 PolarHBondContact O-N 2.81Å; Y1501-C1503 PolarHBondContact O-N 3.22Å |
| 1504 | K | 72.1 | Confident | 62.8 | Low | 61 Ų | 61 | 86.3 Ų | 86.3 | 27% | 0.265 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 175.2 | -88.3 | -165 | 163.2 | -170.6 | 0 | 112.2 | V1500 Y1501 K1507 W1537 E1541 D1545 | V1500-K1504 PolarHBondContact O-N 3.06Å; Y1501-K1504 PolarHBondContact O-N 2.8Å; K1504-K1507 PolarHBondContact O-N 3.43Å; K1504-W1537 HydrophobicContact CB-CZ2 4.28Å; K1504-W1537 HydrophobicContact CD-CH2 4.33Å; K1504-W1537 HydrophobicContact CD-CZ2 4.11Å; K1504-E1541 WeakPolarHBondContact CD-OE2 3.47Å; K1504-E1541 IonicContact NZ-OE2 3.19Å; K1504-E1541 PolarHBondContact NZ-OE2 3.22Å; K1504-D1545 IonicContact NZ-OD1 2.64Å; K1504-D1545 IonicContact NZ-OD2 2.93Å; K1504-D1545 PolarHBondContact NZ-OD2 2.92Å |
| 1505 | T | 67.6 | Low | 60 | Low | 37 Ų | 37 | 93.1 Ų | 93.1 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 179.4 | 46.6 | 0 | 0 | 0 | 0 | 113 | Y1501 Q1502 K1507 N1508 I1509 | Y1501-T1505 HydrophobicContact CD1-CG2 3.83Å; Y1501-T1505 HydrophobicContact CE1-CG2 3.39Å; Y1501-T1505 HydrophobicContact CE2-CG2 4.5Å; Y1501-T1505 WeakPolarHBondContact O-CB 3.26Å; Y1501-T1505 PolarHBondContact O-N 3.35Å; Y1501-T1505 PolarHBondContact O-OG1 2.98Å; Q1502-T1505 PolarHBondContact O-OG1 3.43Å; T1505-K1507 PolarHBondContact O-N 2.86Å; T1505-N1508 PolarHBondContact O-N 2.78Å; T1505-I1509 WeakPolarHBondContact O-CD1 3.48Å; T1505-I1509 WeakPolarHBondContact O-CG1 3.29Å |
| 1506 | M | 53.9 | Low | 57.3 | Low | 157 Ų | 157 | 100.5 Ų | 100.5 | 77% | 0.773 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -32.6 | 174.5 | -84 | -170.7 | 153.8 | 0 | 0 | 113.5 | Q1502 N1508 I1509 | Q1502-M1506 WeakPolarHBondContact O-CB 3.32Å; Q1502-M1506 WeakPolarHBondContact O-CG 3.32Å; Q1502-M1506 PolarHBondContact O-N 3.29Å; M1506-N1508 PolarHBondContact O-N 3.07Å; M1506-I1509 PolarHBondContact O-N 2.68Å |
| 1507 | K | 51.6 | Low | 54.6 | Low | 168 Ų | 168 | 103.3 Ų | 103.3 | 73% | 0.73 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.3 | 176.7 | -73 | -176 | 177.8 | -175 | 0 | 114 | K1504 T1505 | K1504-K1507 PolarHBondContact O-N 3.43Å; T1505-K1507 PolarHBondContact O-N 2.86Å |
| 1508 | N | 45 | Very low | 51.8 | Low | 139 Ų | 139 | 106.3 Ų | 106.3 | 74% | 0.743 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -2.4 | -179.7 | -71.3 | -15.6 | 0 | 0 | 0 | 114.2 | T1505 M1506 | T1505-N1508 PolarHBondContact O-N 2.78Å; M1506-N1508 PolarHBondContact O-N 3.07Å |
| 1509 | I | 44.2 | Very low | 49.4 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 44% | 0.436 | 58% | 0.579 | S | S | . | * | trans | -114.6 | 59 | -173.6 | -51.5 | 163.3 | 0 | 0 | 0 | 110.3 | T1505 M1506 | T1505-I1509 WeakPolarHBondContact O-CD1 3.48Å; T1505-I1509 WeakPolarHBondContact O-CG1 3.29Å; M1506-I1509 PolarHBondContact O-N 2.68Å | ||
| 1510 | T | 35.1 | Very low | 46.9 | Very low | 135 Ų | 135 | 112.2 Ų | 112.2 | 83% | 0.828 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -95.3 | -6.2 | 163.8 | 40.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1511 | E | 29 | Very low | 44.6 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 74% | 0.738 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -123.4 | 152.7 | 163 | -66.1 | -166.8 | 135.8 | 0 | 0 | 110.5 | ||
| 1512 | Y | 28.8 | Very low | 42.5 | Very low | 210 Ų | 210 | 117 Ų | 117 | 82% | 0.824 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 70.8 | 112.4 | -175.5 | -64.9 | -83.4 | 0 | 0 | 0 | 117.7 | ||
| 1513 | S | 29.3 | Very low | 41 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 61% | 0.606 | S | S | * | * | trans | -64.4 | 129 | 176.7 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | N1515 | S1513-N1515 PolarHBondContact O-N 3.26Å; S1513-N1515 VanDerWaalsContact O-N 3.09Å | ||
| 1514 | V | 33 | Very low | 39.6 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 75% | 0.752 | 59% | 0.594 | S | S | * | * | trans | -66.5 | 107.6 | 175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | K1516 | V1514-K1516 PolarHBondContact O-N 2.93Š| ||
| 1515 | N | 28.5 | Very low | 38.4 | Very low | 146 Ų | 146 | 114.9 Ų | 114.9 | 78% | 0.781 | 59% | 0.588 | S | S | * | * | trans | -67.6 | 123.3 | 167.4 | -93.9 | -35.3 | 0 | 0 | 0 | 109.8 | S1513 L1517 | S1513-N1515 PolarHBondContact O-N 3.26Å; S1513-N1515 VanDerWaalsContact O-N 3.09Å; N1515-L1517 VanDerWaalsContact C-N 3.32Å; N1515-L1517 PolarHBondContact O-N 2.98Å | ||
| 1516 | K | 29.1 | Very low | 38.2 | Very low | 206 Ų | 206 | 114.4 Ų | 114.4 | 90% | 0.896 | 58% | 0.584 | S | S | * | * | trans | -74.5 | 79 | -176.6 | -170.4 | 179.3 | -177.3 | 178.6 | 0 | 111.1 | V1514 | V1514-K1516 PolarHBondContact O-N 2.93Š| ||
| 1517 | L | 29.6 | Very low | 38.8 | Very low | 117 Ų | 117 | 107 Ų | 107 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | trans | -59.3 | 147.3 | 174.6 | -134.9 | 74.9 | 0 | 0 | 0 | 110.8 | N1515 I1811 | N1515-L1517 VanDerWaalsContact C-N 3.32Å; N1515-L1517 PolarHBondContact O-N 2.98Å; L1517-I1811 HydrophobicContact CD2-CD1 4.15Å | ||
| 1518 | S | 28 | Very low | 39.9 | Very low | 64 Ų | 64 | 99 Ų | 99 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | trans | -68.7 | 147.3 | -179.6 | 44.4 | 0 | 0 | 0 | 0 | 111.8 | D1520 | S1518-D1520 PolarHBondContact O-N 3.36Š| ||
| 1519 | L | 34.7 | Very low | 41.2 | Very low | 138 Ų | 138 | 94.6 Ų | 94.6 | 72% | 0.723 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -77.1 | -10.9 | -175.3 | -165.1 | 62.2 | 0 | 0 | 0 | 112.5 | V1522 | L1519-V1522 WeakPolarHBondContact O-CG2 3.33Š|
| 1520 | D | 32.1 | Very low | 42.7 | Very low | 94 Ų | 94 | 90.7 Ų | 90.7 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -92.2 | -25.5 | -160 | -53.8 | -78.5 | 0 | 0 | 0 | 114.3 | S1518 V1522 | S1518-D1520 PolarHBondContact O-N 3.36Å; D1520-V1522 PolarHBondContact O-N 2.87Å |
| 1521 | E | 34.8 | Very low | 44.9 | Very low | 125 Ų | 125 | 84.3 Ų | 84.3 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -68.6 | -14.3 | 175.1 | -62.7 | -160.9 | 126.5 | 0 | 0 | 112.8 | K1523 | E1521-K1523 VanDerWaalsContact C-N 3.27Å; E1521-K1523 PolarHBondContact O-N 3.36Å |
| 1522 | V | 36.9 | Very low | 47.5 | Very low | 25 Ų | 25 | 78.9 Ų | 78.9 | 15% | 0.152 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -82.3 | 4.8 | -164.9 | -155.8 | 0 | 0 | 0 | 0 | 113.6 | L1519 D1520 K1524 I1811 L1815 | L1519-V1522 WeakPolarHBondContact O-CG2 3.33Å; D1520-V1522 PolarHBondContact O-N 2.87Å; V1522-K1524 PolarHBondContact O-N 2.94Å; V1522-I1811 HydrophobicContact CG1-CG2 4.15Å; V1522-I1811 HydrophobicContact CG2-CG2 4.48Å; V1522-L1815 HydrophobicContact CG1-CB 3.8Å; V1522-L1815 HydrophobicContact CG1-CD1 4.33Å; V1522-L1815 HydrophobicContact CG1-CG 4.42Å |
| 1523 | K | 44.2 | Very low | 49.8 | Very low | 87 Ų | 87 | 71 Ų | 71 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -66.7 | 3.6 | 174.7 | -70.2 | 178.9 | 178.6 | 176.5 | 0 | 114.5 | I1311 E1328 E1521 | I1311-K1523 HydrophobicContact CD1-CB 3.86Å; I1311-K1523 HydrophobicContact CG1-CB 4.4Å; I1311-K1523 HydrophobicContact CG2-CB 4.12Å; I1311-K1523 HydrophobicContact CG2-CD 3.68Å; I1311-K1523 HydrophobicContact CG2-CG 4.49Å; E1328-K1523 IonicContact OE1-NZ 3.68Å; E1328-K1523 IonicContact OE2-NZ 2.69Å; E1328-K1523 PolarHBondContact OE2-NZ 2.88Å; E1521-K1523 VanDerWaalsContact C-N 3.27Å; E1521-K1523 PolarHBondContact O-N 3.36Å |
| 1524 | K | 44.1 | Very low | 52.5 | Low | 59 Ų | 59 | 65.7 Ų | 65.7 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -106.1 | -11.4 | -170.8 | -69 | -170.4 | 170.5 | 87.5 | 0 | 117.7 | I1311 V1522 N1526 N1840 D1843 | I1311-K1524 HydrophobicContact CD1-CG 4.38Å; V1522-K1524 PolarHBondContact O-N 2.94Å; K1524-N1526 PolarHBondContact O-N 3.45Å; K1524-N1840 VanDerWaalsContact C-ND2 3.3Å; K1524-N1840 WeakPolarHBondContact CA-ND2 3.35Å; K1524-N1840 PolarHBondContact O-ND2 2.95Å; K1524-D1843 WeakPolarHBondContact CD-OD2 3.43Å; K1524-D1843 VanDerWaalsContact CE-CG 3.49Å; K1524-D1843 WeakPolarHBondContact CE-OD1 3.34Å; K1524-D1843 VanDerWaalsContact CE-OD2 3.31Å; K1524-D1843 WeakPolarHBondContact CE-OD2 3.5Å |
| 1525 | S | 47.5 | Very low | 55 | Low | 20 Ų | 20 | 59.9 Ų | 59.9 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | trans | -85.7 | 115 | -168.7 | 161.8 | 0 | 0 | 0 | 0 | 114.6 | C1527 L1833 | S1525-C1527 PolarHBondContact O-N 3Å; S1525-L1833 VanDerWaalsContact O-CD2 3.27Å; S1525-L1833 WeakPolarHBondContact O-CD2 3.49Å | ||
| 1526 | N | 62.3 | Low | 57.7 | Low | 26 Ų | 26 | 54.5 Ų | 54.5 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | trans | -48.3 | 96.9 | 169.9 | -76.3 | 8.1 | 0 | 0 | 0 | 112.3 | K1524 C1528 K1529 A1530 L1834 L1835 L1838 | K1524-N1526 PolarHBondContact O-N 3.45Å; N1526-C1528 VanDerWaalsContact C-N 3.3Å; N1526-C1528 PolarHBondContact O-N 3.09Å; N1526-K1529 HydrophobicContact CB-CB 3.95Å; N1526-K1529 PolarHBondContact O-N 3.26Å; N1526-A1530 PolarHBondContact O-N 3.34Å; N1526-L1834 WeakPolarHBondContact CB-O 3.22Å; N1526-L1834 VanDerWaalsContact CG-O 3.25Å; N1526-L1835 PolarHBondContact ND2-O 3.47Å; N1526-L1838 PolarHBondContact ND2-O 3.39Å | ||
| 1527 | C | 67.8 | Low | 60.4 | Low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.7 | -46.1 | -173.7 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | L1482 S1525 K1529 A1530 V1531 L1833 | L1482-C1527 HydrophobicContact CD1-CB 4.28Å; S1525-C1527 PolarHBondContact O-N 3Å; C1527-K1529 VanDerWaalsContact C-N 3.33Å; C1527-K1529 PolarHBondContact O-N 3.25Å; C1527-A1530 PolarHBondContact O-N 3.46Å; C1527-A1530 VanDerWaalsContact O-N 3.14Å; C1527-V1531 WeakPolarHBondContact O-CG2 3.4Å; C1527-V1531 PolarHBondContact O-N 3.22Å; C1527-L1833 HydrophobicContact CB-CB 4.23Å; C1527-L1833 HydrophobicContact CB-CD1 3.48Å; C1527-L1833 VanDerWaalsContact CB-CD1 3.48Å; C1527-L1833 HydrophobicContact CB-CG 4.49Å |
| 1528 | C | 73.3 | Confident | 63.1 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | -178 | -58.8 | 0 | 0 | 0 | 0 | 113 | L1485 N1526 Y1532 F1585 L1835 | L1485-C1528 HydrophobicContact CD1-CB 4.32Å; N1526-C1528 VanDerWaalsContact C-N 3.3Å; N1526-C1528 PolarHBondContact O-N 3.09Å; C1528-Y1532 VanDerWaalsContact O-CB 3.29Å; C1528-Y1532 WeakPolarHBondContact O-CB 3.45Å; C1528-Y1532 PolarHBondContact O-N 3.15Å; C1528-F1585 HydrophobicContact CB-CE1 4.05Å; C1528-L1835 HydrophobicContact CB-CD1 3.32Å; C1528-L1835 HydrophobicContact CB-CG 3.91Å; C1528-L1835 VanDerWaalsContact SG-CD1 3.59Å |
| 1529 | K | 73.1 | Confident | 65.8 | Low | 48 Ų | 48 | 40.9 Ų | 40.9 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.5 | -41.1 | 171.8 | 178.1 | 55.3 | 171.3 | 152.8 | 0 | 110.8 | N1526 C1527 V1531 Y1532 D1533 L1836 | N1526-K1529 HydrophobicContact CB-CB 3.95Å; N1526-K1529 PolarHBondContact O-N 3.26Å; C1527-K1529 VanDerWaalsContact C-N 3.33Å; C1527-K1529 PolarHBondContact O-N 3.25Å; K1529-V1531 PolarHBondContact O-N 3.27Å; K1529-Y1532 HydrophobicContact CD-CD1 4.29Å; K1529-Y1532 PolarHBondContact O-N 2.96Å; K1529-D1533 WeakPolarHBondContact CD-OD1 3.36Å; K1529-D1533 VanDerWaalsContact CE-OD1 3.25Å; K1529-D1533 WeakPolarHBondContact CE-OD1 3.26Å; K1529-D1533 IonicContact NZ-OD1 3.3Å; K1529-D1533 PolarHBondContact NZ-OD1 3.23Å; K1529-D1533 WeakPolarHBondContact O-CB 3.45Å; K1529-D1533 PolarHBondContact O-N 2.96Å; K1529-L1836 HydrophobicContact CD-CD2 3.96Å |
| 1530 | A | 74.7 | Confident | 68 | Low | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1526 C1527 D1533 L1534 K1812 L1816 | N1526-A1530 PolarHBondContact O-N 3.34Å; C1527-A1530 PolarHBondContact O-N 3.46Å; C1527-A1530 VanDerWaalsContact O-N 3.14Å; A1530-D1533 PolarHBondContact O-N 3.16Å; A1530-L1534 WeakPolarHBondContact O-CB 3.38Å; A1530-L1534 PolarHBondContact O-N 3.49Å; A1530-K1812 HydrophobicContact CB-CB 4.08Å; A1530-K1812 HydrophobicContact CB-CD 4.29Å; A1530-K1812 HydrophobicContact CB-CG 4.34Å; A1530-L1816 HydrophobicContact CB-CD1 4.01Å; A1530-L1816 HydrophobicContact CB-CD2 4.05Å; A1530-L1816 HydrophobicContact CB-CG 4.08Å |
| 1531 | V | 82.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L1485 I1494 C1527 K1529 D1533 L1534 L1535 L1816 Y1820 | L1485-V1531 HydrophobicContact CD1-CB 4.23Å; L1485-V1531 HydrophobicContact CD1-CG1 4.32Å; L1485-V1531 HydrophobicContact CD1-CG2 4.13Å; L1485-V1531 HydrophobicContact CD2-CG1 3.91Å; I1494-V1531 HydrophobicContact CD1-CG1 3.69Å; I1494-V1531 HydrophobicContact CD1-CG2 4.03Å; I1494-V1531 HydrophobicContact CG1-CG1 4.28Å; C1527-V1531 WeakPolarHBondContact O-CG2 3.4Å; C1527-V1531 PolarHBondContact O-N 3.22Å; K1529-V1531 PolarHBondContact O-N 3.27Å; V1531-D1533 VanDerWaalsContact C-N 3.33Å; V1531-D1533 PolarHBondContact O-N 3.13Å; V1531-L1534 PolarHBondContact O-N 2.84Å; V1531-L1535 HydrophobicContact CG1-CD1 3.82Å; V1531-L1535 HydrophobicContact CG1-CG 4.31Å; V1531-L1535 WeakPolarHBondContact O-CB 3.47Å; V1531-L1535 VanDerWaalsContact O-CG 3.26Å; V1531-L1535 WeakPolarHBondContact O-CG 3.46Å; V1531-L1535 PolarHBondContact O-N 3.42Å; V1531-L1816 HydrophobicContact CG2-CD2 3.62Å; V1531-Y1820 HydrophobicContact CG2-CE2 4.09Å |
| 1532 | Y | 83.3 | Confident | 72 | Confident | 44 Ų | 44 | 35.5 Ų | 35.5 | 17% | 0.173 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 174.2 | 176.6 | -93.5 | 0 | 0 | 0 | 112.3 | C1528 K1529 L1535 N1536 I1582 F1585 D1586 L1836 | C1528-Y1532 VanDerWaalsContact O-CB 3.29Å; C1528-Y1532 WeakPolarHBondContact O-CB 3.45Å; C1528-Y1532 PolarHBondContact O-N 3.15Å; K1529-Y1532 HydrophobicContact CD-CD1 4.29Å; K1529-Y1532 PolarHBondContact O-N 2.96Å; Y1532-L1535 PolarHBondContact O-N 2.97Å; Y1532-N1536 WeakPolarHBondContact CE1-ND2 3.3Å; Y1532-N1536 WeakPolarHBondContact O-CB 3.38Å; Y1532-N1536 PolarHBondContact O-N 3.01Å; Y1532-N1536 PolarHBondContact O-ND2 2.88Å; Y1532-N1536 PolarHBondContact OH-ND2 2.85Å; Y1532-I1582 HydrophobicContact CE2-CG2 4.12Å; Y1532-F1585 HydrophobicContact CD2-CB 3.62Å; Y1532-F1585 HydrophobicContact CD2-CD2 4.26Å; Y1532-F1585 AromaticContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CE2-CB 4.01Å; Y1532-D1586 PolarHBondContact OH-OD1 2.76Å; Y1532-L1836 HydrophobicContact CD1-CD2 3.93Å; Y1532-L1836 HydrophobicContact CD2-CD2 4.29Å; Y1532-L1836 HydrophobicContact CE1-CD2 4.41Å; Y1532-L1836 HydrophobicContact CG-CD2 3.86Å |
| 1533 | D | 78 | Confident | 73.3 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.7 | -62.7 | -22.9 | 0 | 0 | 0 | 111.5 | K1529 A1530 V1531 N1536 W1537 K1812 | K1529-D1533 WeakPolarHBondContact CD-OD1 3.36Å; K1529-D1533 VanDerWaalsContact CE-OD1 3.25Å; K1529-D1533 WeakPolarHBondContact CE-OD1 3.26Å; K1529-D1533 IonicContact NZ-OD1 3.3Å; K1529-D1533 PolarHBondContact NZ-OD1 3.23Å; K1529-D1533 WeakPolarHBondContact O-CB 3.45Å; K1529-D1533 PolarHBondContact O-N 2.96Å; A1530-D1533 PolarHBondContact O-N 3.16Å; V1531-D1533 VanDerWaalsContact C-N 3.33Å; V1531-D1533 PolarHBondContact O-N 3.13Å; D1533-N1536 PolarHBondContact O-N 3.36Å; D1533-W1537 WeakPolarHBondContact O-CB 3.32Å; D1533-W1537 PolarHBondContact O-N 3.01Å; D1533-K1812 IonicContact OD2-NZ 3.74Å; D1533-K1812 PolarHBondContact OD2-NZ 2.93Å |
| 1534 | L | 84.2 | Confident | 74 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 174.5 | 175.8 | 65.1 | 0 | 0 | 0 | 112.7 | I1494 L1497 L1498 Y1501 A1530 V1531 W1537 Y1538 L1813 L1816 | I1494-L1534 HydrophobicContact CG2-CD2 4.41Å; L1497-L1534 HydrophobicContact CB-CD2 4.15Å; L1497-L1534 HydrophobicContact CB-CG 4.39Å; L1498-L1534 HydrophobicContact CD2-CD2 3.73Å; L1498-L1534 HydrophobicContact CG-CD2 3.91Å; Y1501-L1534 HydrophobicContact CD2-CD1 4.17Å; A1530-L1534 WeakPolarHBondContact O-CB 3.38Å; A1530-L1534 PolarHBondContact O-N 3.49Å; V1531-L1534 PolarHBondContact O-N 2.84Å; L1534-W1537 HydrophobicContact CD1-CE3 3.97Å; L1534-W1537 HydrophobicContact CD1-CZ3 4.43Å; L1534-W1537 PolarHBondContact O-N 3.36Å; L1534-Y1538 PolarHBondContact O-N 3.34Å; L1534-Y1538 VanDerWaalsContact O-N 3.09Å; L1534-L1813 HydrophobicContact CD1-CD1 3.99Å; L1534-L1816 HydrophobicContact CB-CD1 4.28Å; L1534-L1816 HydrophobicContact CD2-CD1 4.09Å |
| 1535 | L | 87 | Confident | 74.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.3 | -71.8 | 164.2 | 0 | 0 | 0 | 111.1 | L1497 V1531 Y1532 Y1538 L1539 V1578 I1581 I1582 F1585 | L1497-L1535 HydrophobicContact CD1-CD2 3.61Å; V1531-L1535 HydrophobicContact CG1-CD1 3.82Å; V1531-L1535 HydrophobicContact CG1-CG 4.31Å; V1531-L1535 WeakPolarHBondContact O-CB 3.47Å; V1531-L1535 VanDerWaalsContact O-CG 3.26Å; V1531-L1535 WeakPolarHBondContact O-CG 3.46Å; V1531-L1535 PolarHBondContact O-N 3.42Å; Y1532-L1535 PolarHBondContact O-N 2.97Å; L1535-Y1538 PolarHBondContact O-N 2.94Å; L1535-L1539 WeakPolarHBondContact O-CB 3.21Å; L1535-L1539 PolarHBondContact O-N 3.05Å; L1535-V1578 HydrophobicContact CB-CG1 4.27Å; L1535-V1578 HydrophobicContact CD2-CB 4.41Å; L1535-V1578 HydrophobicContact CD2-CG1 3.9Å; L1535-V1578 HydrophobicContact CD2-CG2 4.24Å; L1535-I1581 HydrophobicContact CD1-CG2 3.64Å; L1535-I1582 HydrophobicContact CB-CD1 4.02Å; L1535-I1582 HydrophobicContact CB-CG1 3.84Å; L1535-I1582 HydrophobicContact CD1-CG1 4.44Å; L1535-F1585 HydrophobicContact CD1-CD2 4.42Å; L1535-F1585 HydrophobicContact CD1-CE2 4.14Å |
| 1536 | N | 83.9 | Confident | 74.9 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.9 | -35.1 | 176.2 | -80.6 | -37.9 | 0 | 0 | 0 | 113.3 | Y1532 D1533 Y1538 L1539 N1540 | Y1532-N1536 WeakPolarHBondContact CE1-ND2 3.3Å; Y1532-N1536 WeakPolarHBondContact O-CB 3.38Å; Y1532-N1536 PolarHBondContact O-N 3.01Å; Y1532-N1536 PolarHBondContact O-ND2 2.88Å; Y1532-N1536 PolarHBondContact OH-ND2 2.85Å; D1533-N1536 PolarHBondContact O-N 3.36Å; N1536-Y1538 VanDerWaalsContact C-N 3.34Å; N1536-L1539 WeakPolarHBondContact O-CB 3.45Å; N1536-L1539 PolarHBondContact O-N 3.37Å; N1536-N1540 WeakPolarHBondContact O-CB 3.32Å; N1536-N1540 PolarHBondContact O-N 2.86Å; N1536-N1540 PolarHBondContact O-ND2 3.5Å |
| 1537 | W | 87.1 | Confident | 74 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 170 | 166.6 | 78.2 | 0 | 0 | 0 | 110.7 | V1500 Y1501 K1504 D1533 L1534 L1539 N1540 E1541 | V1500-W1537 HydrophobicContact CG1-CH2 4.35Å; Y1501-W1537 VanDerWaalsContact CA-CH2 3.42Å; Y1501-W1537 AromaticContact CD2-CD2 3.6Å; Y1501-W1537 HydrophobicContact CD2-CD2 3.6Å; Y1501-W1537 AromaticContact CD2-CE2 3.64Å; Y1501-W1537 AromaticContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CE3 3.72Å; Y1501-W1537 HydrophobicContact CD2-CG 4.26Å; Y1501-W1537 AromaticContact CD2-CH2 3.96Å; Y1501-W1537 HydrophobicContact CD2-CH2 3.96Å; Y1501-W1537 AromaticContact CD2-CZ2 3.83Å; Y1501-W1537 HydrophobicContact CD2-CZ2 3.83Å; Y1501-W1537 AromaticContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CD2-CZ3 3.9Å; Y1501-W1537 HydrophobicContact CE2-CD2 4.1Å; Y1501-W1537 HydrophobicContact CE2-CG 4.33Å; Y1501-W1537 HydrophobicContact CG-CH2 4.25Å; Y1501-W1537 HydrophobicContact CG-CZ2 4.38Å; Y1501-W1537 HydrophobicContact CG-CZ3 4.31Å; K1504-W1537 HydrophobicContact CB-CZ2 4.28Å; K1504-W1537 HydrophobicContact CD-CH2 4.33Å; K1504-W1537 HydrophobicContact CD-CZ2 4.11Å; D1533-W1537 WeakPolarHBondContact O-CB 3.32Å; D1533-W1537 PolarHBondContact O-N 3.01Å; L1534-W1537 HydrophobicContact CD1-CE3 3.97Å; L1534-W1537 HydrophobicContact CD1-CZ3 4.43Å; L1534-W1537 PolarHBondContact O-N 3.36Å; W1537-L1539 VanDerWaalsContact C-N 3.34Å; W1537-L1539 PolarHBondContact O-N 3.08Å; W1537-N1540 PolarHBondContact O-N 2.98Å; W1537-E1541 HydrophobicContact CD2-CG 4.06Å; W1537-E1541 VanDerWaalsContact CE2-CG 3.44Å; W1537-E1541 HydrophobicContact CG-CG 4.36Å; W1537-E1541 HydrophobicContact CH2-CG 4.45Å; W1537-E1541 HydrophobicContact CZ2-CG 3.69Å; W1537-E1541 VanDerWaalsContact NE1-CG 3.33Å; W1537-E1541 PolarHBondContact NE1-OE1 2.73Å; W1537-E1541 VanDerWaalsContact NE1-OE1 3.11Å; W1537-E1541 VanDerWaalsContact O-CG 3.32Å; W1537-E1541 WeakPolarHBondContact O-CG 3.46Å; W1537-E1541 PolarHBondContact O-N 3.21Å |
| 1538 | Y | 85.2 | Confident | 72.9 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 179.5 | -174.7 | -99.6 | 0 | 0 | 0 | 112.3 | L1497 V1500 L1534 L1535 N1536 N1540 Y1542 I1573 L1575 V1578 | L1497-Y1538 HydrophobicContact CD2-CD1 3.77Å; L1497-Y1538 HydrophobicContact CD2-CD2 3.63Å; L1497-Y1538 HydrophobicContact CD2-CE1 4.2Å; L1497-Y1538 HydrophobicContact CD2-CE2 4.07Å; L1497-Y1538 HydrophobicContact CD2-CG 3.47Å; L1497-Y1538 VanDerWaalsContact CD2-CG 3.47Å; V1500-Y1538 HydrophobicContact CG1-CD2 4.46Å; V1500-Y1538 HydrophobicContact CG1-CE2 4.15Å; L1534-Y1538 PolarHBondContact O-N 3.34Å; L1534-Y1538 VanDerWaalsContact O-N 3.09Å; L1535-Y1538 PolarHBondContact O-N 2.94Å; N1536-Y1538 VanDerWaalsContact C-N 3.34Å; Y1538-N1540 VanDerWaalsContact C-N 3.33Å; Y1538-N1540 PolarHBondContact O-N 2.92Å; Y1538-Y1542 HydrophobicContact CE1-CD2 4.11Å; Y1538-Y1542 HydrophobicContact CE2-CD2 4.24Å; Y1538-Y1542 AromaticContact CZ-CD2 3.68Å; Y1538-Y1542 WeakPolarHBondContact O-CB 3.4Å; Y1538-Y1542 PolarHBondContact O-N 3.39Å; Y1538-Y1542 VanDerWaalsContact O-N 3.12Å; Y1538-Y1542 WeakPolarHBondContact OH-CD2 3.19Å; Y1538-Y1542 VanDerWaalsContact OH-CE2 3.28Å; Y1538-Y1542 WeakPolarHBondContact OH-CE2 3.43Å; Y1538-I1573 HydrophobicContact CE1-CB 4.39Å; Y1538-I1573 HydrophobicContact CE1-CG2 4.48Å; Y1538-I1573 PolarHBondContact OH-O 3.3Å; Y1538-L1575 HydrophobicContact CD1-CD1 4.39Å; Y1538-L1575 HydrophobicContact CE1-CD1 4.23Å; Y1538-V1578 HydrophobicContact CD1-CG1 4.34Å; Y1538-V1578 HydrophobicContact CD1-CG2 4.02Å; Y1538-V1578 HydrophobicContact CE1-CG2 4.3Å |
| 1539 | L | 85 | Confident | 71.6 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 175.5 | -168.9 | 85.2 | 0 | 0 | 0 | 112.6 | L1535 N1536 W1537 S1543 L1575 K1579 I1582 | L1535-L1539 WeakPolarHBondContact O-CB 3.21Å; L1535-L1539 PolarHBondContact O-N 3.05Å; N1536-L1539 WeakPolarHBondContact O-CB 3.45Å; N1536-L1539 PolarHBondContact O-N 3.37Å; W1537-L1539 VanDerWaalsContact C-N 3.34Å; W1537-L1539 PolarHBondContact O-N 3.08Å; L1539-S1543 PolarHBondContact O-N 3.18Å; L1539-S1543 PolarHBondContact O-OG 3.45Å; L1539-L1575 HydrophobicContact CD1-CD1 4.05Å; L1539-K1579 HydrophobicContact CD1-CD 4.14Å; L1539-K1579 HydrophobicContact CD1-CG 3.45Å; L1539-K1579 VanDerWaalsContact CD1-CG 3.45Å; L1539-I1582 HydrophobicContact CB-CD1 4.43Å; L1539-I1582 HydrophobicContact CD1-CD1 4.33Å; L1539-I1582 HydrophobicContact CD2-CD1 4.28Å |
| 1540 | N | 82.1 | Confident | 70 | Confident | 99 Ų | 99 | 60.7 Ų | 60.7 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.8 | -46 | -177.7 | -69.6 | -19 | 0 | 0 | 0 | 111.6 | N1536 W1537 Y1538 Y1542 S1543 V1544 | N1536-N1540 WeakPolarHBondContact O-CB 3.32Å; N1536-N1540 PolarHBondContact O-N 2.86Å; N1536-N1540 PolarHBondContact O-ND2 3.5Å; W1537-N1540 PolarHBondContact O-N 2.98Å; Y1538-N1540 VanDerWaalsContact C-N 3.33Å; Y1538-N1540 PolarHBondContact O-N 2.92Å; N1540-Y1542 VanDerWaalsContact C-N 3.34Å; N1540-Y1542 PolarHBondContact O-N 2.97Å; N1540-S1543 WeakPolarHBondContact O-CB 3.49Å; N1540-S1543 PolarHBondContact O-N 2.61Å; N1540-V1544 PolarHBondContact O-N 3.46Å; N1540-V1544 VanDerWaalsContact O-N 3.1Å |
| 1541 | E | 78.5 | Confident | 68 | Low | 65 Ų | 65 | 66.8 Ų | 66.8 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.8 | -49.7 | 174.9 | -72.8 | -79.9 | 151 | 0 | 0 | 111.8 | K1504 W1537 S1543 V1544 D1545 | K1504-E1541 WeakPolarHBondContact CD-OE2 3.47Å; K1504-E1541 IonicContact NZ-OE2 3.19Å; K1504-E1541 PolarHBondContact NZ-OE2 3.22Å; W1537-E1541 HydrophobicContact CD2-CG 4.06Å; W1537-E1541 VanDerWaalsContact CE2-CG 3.44Å; W1537-E1541 HydrophobicContact CG-CG 4.36Å; W1537-E1541 HydrophobicContact CH2-CG 4.45Å; W1537-E1541 HydrophobicContact CZ2-CG 3.69Å; W1537-E1541 VanDerWaalsContact NE1-CG 3.33Å; W1537-E1541 PolarHBondContact NE1-OE1 2.73Å; W1537-E1541 VanDerWaalsContact NE1-OE1 3.11Å; W1537-E1541 VanDerWaalsContact O-CG 3.32Å; W1537-E1541 WeakPolarHBondContact O-CG 3.46Å; W1537-E1541 PolarHBondContact O-N 3.21Å; E1541-S1543 PolarHBondContact O-N 2.86Å; E1541-S1543 VanDerWaalsContact O-N 3.16Å; E1541-V1544 PolarHBondContact O-N 3.05Å; E1541-V1544 VanDerWaalsContact O-N 3.1Å; E1541-D1545 PolarHBondContact O-N 3.48Å |
| 1542 | Y | 70.9 | Confident | 65.6 | Low | 80 Ų | 80 | 72.5 Ų | 72.5 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -17.7 | -179.4 | -136.4 | -77.1 | 0 | 0 | 0 | 113.3 | Y1538 N1540 L1575 | Y1538-Y1542 HydrophobicContact CE1-CD2 4.11Å; Y1538-Y1542 HydrophobicContact CE2-CD2 4.24Å; Y1538-Y1542 AromaticContact CZ-CD2 3.68Å; Y1538-Y1542 WeakPolarHBondContact O-CB 3.4Å; Y1538-Y1542 PolarHBondContact O-N 3.39Å; Y1538-Y1542 VanDerWaalsContact O-N 3.12Å; Y1538-Y1542 WeakPolarHBondContact OH-CD2 3.19Å; Y1538-Y1542 VanDerWaalsContact OH-CE2 3.28Å; Y1538-Y1542 WeakPolarHBondContact OH-CE2 3.43Å; N1540-Y1542 VanDerWaalsContact C-N 3.34Å; N1540-Y1542 PolarHBondContact O-N 2.97Å; Y1542-L1575 HydrophobicContact CD1-CD2 4.21Å |
| 1543 | S | 65.5 | Low | 63 | Low | 60 Ų | 60 | 78 Ų | 78 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -81.2 | -42.2 | 173 | -55.3 | 0 | 0 | 0 | 0 | 111 | L1539 N1540 E1541 K1546 D1547 | L1539-S1543 PolarHBondContact O-N 3.18Å; L1539-S1543 PolarHBondContact O-OG 3.45Å; N1540-S1543 WeakPolarHBondContact O-CB 3.49Å; N1540-S1543 PolarHBondContact O-N 2.61Å; E1541-S1543 PolarHBondContact O-N 2.86Å; E1541-S1543 VanDerWaalsContact O-N 3.16Å; S1543-K1546 PolarHBondContact O-N 3.03Å; S1543-D1547 PolarHBondContact O-N 3.24Å |
| 1544 | V | 59.2 | Low | 60.7 | Low | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | N1540 E1541 K1546 D1547 N1548 | N1540-V1544 PolarHBondContact O-N 3.46Å; N1540-V1544 VanDerWaalsContact O-N 3.1Å; E1541-V1544 PolarHBondContact O-N 3.05Å; E1541-V1544 VanDerWaalsContact O-N 3.1Å; V1544-K1546 PolarHBondContact O-N 3.5Å; V1544-D1547 PolarHBondContact O-N 3.37Å; V1544-N1548 PolarHBondContact O-N 2.99Å; V1544-N1548 PolarHBondContact O-ND2 2.69Å |
| 1545 | D | 56.1 | Low | 57.9 | Low | 82 Ų | 82 | 92 Ų | 92 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 176.6 | -72.7 | -31.8 | 0 | 0 | 0 | 111.4 | K1504 E1541 S1549 | K1504-D1545 IonicContact NZ-OD1 2.64Å; K1504-D1545 IonicContact NZ-OD2 2.93Å; K1504-D1545 PolarHBondContact NZ-OD2 2.92Å; E1541-D1545 PolarHBondContact O-N 3.48Å; D1545-S1549 PolarHBondContact O-N 2.95Å |
| 1546 | K | 53.2 | Low | 55.3 | Low | 135 Ų | 135 | 99 Ų | 99 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.6 | -46.9 | 179.3 | -164.2 | 163.9 | -171.3 | 163.9 | 0 | 113.1 | S1543 V1544 N1548 S1549 | S1543-K1546 PolarHBondContact O-N 3.03Å; V1544-K1546 PolarHBondContact O-N 3.5Å; K1546-N1548 PolarHBondContact O-N 2.89Å; K1546-S1549 WeakPolarHBondContact O-CB 3.49Å; K1546-S1549 PolarHBondContact O-N 2.94Å; K1546-S1549 PolarHBondContact O-OG 3.42Å |
| 1547 | D | 42.7 | Very low | 52.7 | Low | 117 Ų | 117 | 103.4 Ų | 103.4 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.2 | -30.2 | 178.9 | -70.7 | -13.1 | 0 | 0 | 0 | 112.3 | S1543 V1544 N1551 | S1543-D1547 PolarHBondContact O-N 3.24Å; V1544-D1547 PolarHBondContact O-N 3.37Å; D1547-N1551 PolarHBondContact O-ND2 2.76Å |
| 1548 | N | 46.4 | Very low | 50.2 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.3 | -31.4 | 173 | -74.6 | -48.3 | 0 | 0 | 0 | 113.2 | V1544 K1546 E1550 N1551 | V1544-N1548 PolarHBondContact O-N 2.99Å; V1544-N1548 PolarHBondContact O-ND2 2.69Å; K1546-N1548 PolarHBondContact O-N 2.89Å; N1548-E1550 VanDerWaalsContact C-N 3.35Å; N1548-E1550 PolarHBondContact O-N 3.11Å; N1548-N1551 PolarHBondContact O-N 2.93Å |
| 1549 | S | 44.7 | Very low | 47.4 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 56% | 0.559 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.1 | -31.3 | -178.6 | 76 | 0 | 0 | 0 | 0 | 113.8 | D1545 K1546 N1551 | D1545-S1549 PolarHBondContact O-N 2.95Å; K1546-S1549 WeakPolarHBondContact O-CB 3.49Å; K1546-S1549 PolarHBondContact O-N 2.94Å; K1546-S1549 PolarHBondContact O-OG 3.42Å; S1549-N1551 VanDerWaalsContact C-N 3.33Å; S1549-N1551 PolarHBondContact O-N 3.46Å |
| 1550 | E | 39.3 | Very low | 44.6 | Very low | 155 Ų | 155 | 115.5 Ų | 115.5 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.8 | -179.2 | -64.7 | -168.2 | 172.4 | 0 | 0 | 113.6 | N1548 | N1548-E1550 VanDerWaalsContact C-N 3.35Å; N1548-E1550 PolarHBondContact O-N 3.11Å |
| 1551 | N | 34.5 | Very low | 42.1 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -11.4 | -173 | -75 | -74.4 | 0 | 0 | 0 | 115.4 | D1547 N1548 S1549 | D1547-N1551 PolarHBondContact O-ND2 2.76Å; N1548-N1551 PolarHBondContact O-N 2.93Å; S1549-N1551 VanDerWaalsContact C-N 3.33Å; S1549-N1551 PolarHBondContact O-N 3.46Å |
| 1552 | N | 30.8 | Very low | 39.7 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 64% | 0.642 | 66% | 0.657 | S | S | * | * | trans | -115.6 | 61 | -176 | -76.6 | -53.4 | 0 | 0 | 0 | 113.9 | H1554 | N1552-H1554 PolarHBondContact O-N 2.92Š| ||
| 1553 | N | 28 | Very low | 37.8 | Very low | 161 Ų | 161 | 130.3 Ų | 130.3 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -75.2 | 68.1 | 160.6 | -82.6 | -40.2 | 0 | 0 | 0 | 110.7 | ||||
| 1554 | H | 30 | Very low | 35.9 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | -138.8 | 121.6 | 165.7 | -112.9 | -42 | 0 | 0 | 0 | 110.7 | N1552 I1556 | N1552-H1554 PolarHBondContact O-N 2.92Å; H1554-I1556 PolarHBondContact O-N 2.94Å | ||
| 1555 | E | 26.9 | Very low | 34.5 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | trans | -60.2 | 120.7 | 173.8 | -63.4 | 165 | 102.3 | 0 | 0 | 110.6 | ||||
| 1556 | I | 31.9 | Very low | 33.3 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -102.9 | 96.8 | 159.8 | -65.2 | -178 | 0 | 0 | 0 | 107 | H1554 I1558 | H1554-I1556 PolarHBondContact O-N 2.94Å; I1556-I1558 HydrophobicContact CG2-CD1 4.17Å; I1556-I1558 HydrophobicContact CG2-CG1 4.1Å; I1556-I1558 PolarHBondContact O-N 3.5Å | ||
| 1557 | I | 29 | Very low | 32.2 | Very low | 126 Ų | 126 | 141 Ų | 141 | 65% | 0.646 | 74% | 0.738 | S | S | * | * | trans | -70.4 | 110.8 | 173.3 | -60.8 | 171.4 | 0 | 0 | 0 | 108.1 | ||||
| 1558 | I | 33.7 | Very low | 31.7 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -121.5 | 112.2 | 160.5 | -65.3 | 175.2 | 0 | 0 | 0 | 106.9 | I1556 | I1556-I1558 HydrophobicContact CG2-CD1 4.17Å; I1556-I1558 HydrophobicContact CG2-CG1 4.1Å; I1556-I1558 PolarHBondContact O-N 3.5Å | ||
| 1559 | N | 27.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -87.3 | 150.8 | 174.6 | -70 | -30.5 | 0 | 0 | 0 | 110.2 | ||||
| 1560 | G | 25.7 | Very low | 30.9 | Very low | 63 Ų | 63 | 146.3 Ų | 146.3 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | 76.8 | 84.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1561 | D | 29.1 | Very low | 31.4 | Very low | 163 Ų | 163 | 145.9 Ų | 145.9 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | -168.3 | 137.2 | 86.3 | -81.7 | -21.5 | 0 | 0 | 0 | 110 | |||||
| 1562 | K | 28.7 | Very low | 32.5 | Very low | 210 Ų | 210 | 146.8 Ų | 146.8 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | -137.6 | 86.7 | 176.7 | -84.3 | -165.1 | 173.7 | -171.8 | 0 | 110.3 | ||||
| 1563 | E | 30.8 | Very low | 34 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | -123.2 | 102.6 | 164 | -70.2 | -166.4 | 167.5 | 0 | 0 | 110.5 | T1565 | E1563-T1565 PolarHBondContact O-N 3.05Š| ||
| 1564 | N | 26.9 | Very low | 36.1 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | 43.6 | 72.7 | 143.1 | -60.3 | -13 | 0 | 0 | 0 | 118.6 | ||||
| 1565 | T | 28.6 | Very low | 38.7 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | trans | -129.1 | 146.4 | 144.1 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | E1563 E1567 | E1563-T1565 PolarHBondContact O-N 3.05Å; T1565-E1567 VanDerWaalsContact C-N 3.34Å; T1565-E1567 PolarHBondContact O-N 3.28Å | ||
| 1566 | N | 30.4 | Very low | 41.5 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | trans | -78 | 77.7 | -175.6 | -69.4 | -6.6 | 0 | 0 | 0 | 111.3 | N1568 | N1566-N1568 PolarHBondContact O-N 3.02Š| ||
| 1567 | E | 31.5 | Very low | 44.2 | Very low | 169 Ų | 169 | 122 Ų | 122 | 79% | 0.79 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 15.7 | -174 | -141.3 | 176 | -167.5 | 0 | 0 | 114.8 | T1565 | T1565-E1567 VanDerWaalsContact C-N 3.34Å; T1565-E1567 PolarHBondContact O-N 3.28Å |
| 1568 | N | 30.8 | Very low | 47 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | -8.3 | -177.7 | -73.7 | -24.5 | 0 | 0 | 0 | 115 | N1566 L1570 | N1566-N1568 PolarHBondContact O-N 3.02Å; N1568-L1570 PolarHBondContact O-N 3.3Å; N1568-L1570 VanDerWaalsContact O-N 3.15Å |
| 1569 | D | 34.1 | Very low | 49.7 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | trans | -84.6 | 25.4 | -175.9 | -74.2 | -15.2 | 0 | 0 | 0 | 114.2 | ||||
| 1570 | L | 41.8 | Very low | 52.8 | Low | 102 Ų | 102 | 107 Ų | 107 | 53% | 0.534 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -109.4 | 78.3 | 164.2 | -76 | 176.2 | 0 | 0 | 0 | 108.8 | N1568 E1572 | N1568-L1570 PolarHBondContact O-N 3.3Å; N1568-L1570 VanDerWaalsContact O-N 3.15Å; L1570-E1572 PolarHBondContact O-N 3.01Å |
| 1571 | D | 50.1 | Low | 55.9 | Low | 147 Ų | 147 | 104 Ų | 104 | 79% | 0.786 | 53% | 0.529 | S | S | * | . | trans | -40.1 | 128.4 | 166.2 | -78.9 | -43.1 | 0 | 0 | 0 | 109.9 | I1573 | D1571-I1573 PolarHBondContact O-N 2.91Š| ||
| 1572 | E | 55.9 | Low | 58.8 | Low | 149 Ų | 149 | 96.8 Ų | 96.8 | 70% | 0.696 | 49% | 0.49 | S | S | * | . | trans | -51.9 | 107.5 | -178.9 | -172 | -176.6 | 155.4 | 0 | 0 | 108.9 | L1570 D1574 | L1570-E1572 PolarHBondContact O-N 3.01Å; E1572-D1574 VanDerWaalsContact C-N 3.33Å; E1572-D1574 PolarHBondContact O-N 2.83Å | ||
| 1573 | I | 62.9 | Low | 61.7 | Low | 18 Ų | 18 | 89.5 Ų | 89.5 | 9% | 0.092 | 47% | 0.465 | C | S | . | . | trans | -66.5 | 96.8 | -169.9 | -58.5 | 178.5 | 0 | 0 | 0 | 108.1 | L1493 N1496 L1497 V1500 Y1538 D1571 L1575 | L1493-I1573 HydrophobicContact CD1-CG2 3.39Å; N1496-I1573 HydrophobicContact CB-CD1 3.94Å; L1497-I1573 HydrophobicContact CD2-CD1 4.23Å; L1497-I1573 HydrophobicContact CD2-CG2 3.98Å; L1497-I1573 HydrophobicContact CG-CG2 4.42Å; V1500-I1573 HydrophobicContact CG2-CD1 3.76Å; Y1538-I1573 HydrophobicContact CE1-CB 4.39Å; Y1538-I1573 HydrophobicContact CE1-CG2 4.48Å; Y1538-I1573 PolarHBondContact OH-O 3.3Å; D1571-I1573 PolarHBondContact O-N 2.91Å; I1573-L1575 PolarHBondContact O-N 3.09Å | ||
| 1574 | D | 72.3 | Confident | 64.6 | Low | 60 Ų | 60 | 80.9 Ų | 80.9 | 32% | 0.321 | 43% | 0.425 | S | S | . | . | trans | -48.9 | 108.6 | -164.1 | 170.9 | 10.4 | 0 | 0 | 0 | 111.6 | E1572 Q1576 N1577 V1578 | E1572-D1574 VanDerWaalsContact C-N 3.33Å; E1572-D1574 PolarHBondContact O-N 2.83Å; D1574-Q1576 PolarHBondContact O-N 2.91Å; D1574-Q1576 VanDerWaalsContact O-N 3.09Å; D1574-Q1576 WeakPolarHBondContact OD1-CA 3.45Å; D1574-Q1576 VanDerWaalsContact OD1-CB 3.25Å; D1574-Q1576 WeakPolarHBondContact OD1-CB 3.24Å; D1574-Q1576 WeakPolarHBondContact OD1-CG 3.48Å; D1574-Q1576 PolarHBondContact OD1-N 2.95Å; D1574-N1577 HydrophobicContact CB-CB 4.41Å; D1574-N1577 WeakPolarHBondContact CB-ND2 3.19Å; D1574-N1577 WeakPolarHBondContact O-CB 3.38Å; D1574-N1577 PolarHBondContact O-N 2.69Å; D1574-N1577 PolarHBondContact OD2-ND2 3.07Å; D1574-V1578 PolarHBondContact O-N 3.13Å | ||
| 1575 | L | 84.5 | Confident | 67.6 | Low | 34 Ų | 34 | 73.6 Ų | 73.6 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -23.2 | -175.8 | -172.8 | 63.9 | 0 | 0 | 0 | 111.8 | Y1538 L1539 Y1542 I1573 K1579 | Y1538-L1575 HydrophobicContact CD1-CD1 4.39Å; Y1538-L1575 HydrophobicContact CE1-CD1 4.23Å; L1539-L1575 HydrophobicContact CD1-CD1 4.05Å; Y1542-L1575 HydrophobicContact CD1-CD2 4.21Å; I1573-L1575 PolarHBondContact O-N 3.09Å; L1575-K1579 HydrophobicContact CG-CD 4.37Å; L1575-K1579 WeakPolarHBondContact O-CB 3.27Å; L1575-K1579 WeakPolarHBondContact O-CD 3.44Å; L1575-K1579 VanDerWaalsContact O-CG 3.23Å; L1575-K1579 WeakPolarHBondContact O-CG 3.37Å; L1575-K1579 PolarHBondContact O-N 3Å |
| 1576 | Q | 85.2 | Confident | 70.3 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.1 | -33.1 | 175.5 | -50.8 | -67.4 | 9.4 | 0 | 0 | 111.8 | D1574 K1579 G1580 L1626 | D1574-Q1576 PolarHBondContact O-N 2.91Å; D1574-Q1576 VanDerWaalsContact O-N 3.09Å; D1574-Q1576 WeakPolarHBondContact OD1-CA 3.45Å; D1574-Q1576 VanDerWaalsContact OD1-CB 3.25Å; D1574-Q1576 WeakPolarHBondContact OD1-CB 3.24Å; D1574-Q1576 WeakPolarHBondContact OD1-CG 3.48Å; D1574-Q1576 PolarHBondContact OD1-N 2.95Å; Q1576-K1579 PolarHBondContact O-N 2.84Å; Q1576-G1580 PolarHBondContact O-N 2.8Å; Q1576-L1626 VanDerWaalsContact C-CD1 3.44Å; Q1576-L1626 HydrophobicContact CB-CD1 3.41Å; Q1576-L1626 VanDerWaalsContact CB-CD1 3.41Å |
| 1577 | N | 88.6 | Confident | 73.1 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 171.6 | -71.1 | -38.2 | 0 | 0 | 0 | 111 | D1574 G1580 I1581 L1626 I1628 | D1574-N1577 HydrophobicContact CB-CB 4.41Å; D1574-N1577 WeakPolarHBondContact CB-ND2 3.19Å; D1574-N1577 WeakPolarHBondContact O-CB 3.38Å; D1574-N1577 PolarHBondContact O-N 2.69Å; D1574-N1577 PolarHBondContact OD2-ND2 3.07Å; N1577-G1580 PolarHBondContact O-N 3.23Å; N1577-I1581 WeakPolarHBondContact O-CG1 3.34Å; N1577-I1581 PolarHBondContact O-N 3.29Å; N1577-L1626 WeakPolarHBondContact OD1-CB 3.41Å; N1577-L1626 VanDerWaalsContact OD1-CD1 3.23Å; N1577-L1626 WeakPolarHBondContact OD1-CD1 3.23Å; N1577-I1628 HydrophobicContact CB-CG2 3.77Å; N1577-I1628 WeakPolarHBondContact OD1-CG2 3.5Å |
| 1578 | V | 89.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | L1497 L1535 Y1538 D1574 G1580 I1581 I1582 | L1497-V1578 HydrophobicContact CD2-CG2 4.45Å; L1535-V1578 HydrophobicContact CB-CG1 4.27Å; L1535-V1578 HydrophobicContact CD2-CB 4.41Å; L1535-V1578 HydrophobicContact CD2-CG1 3.9Å; L1535-V1578 HydrophobicContact CD2-CG2 4.24Å; Y1538-V1578 HydrophobicContact CD1-CG1 4.34Å; Y1538-V1578 HydrophobicContact CD1-CG2 4.02Å; Y1538-V1578 HydrophobicContact CE1-CG2 4.3Å; D1574-V1578 PolarHBondContact O-N 3.13Å; V1578-G1580 PolarHBondContact O-N 3.4Å; V1578-I1581 PolarHBondContact O-N 3.17Å; V1578-I1582 HydrophobicContact CG1-CD1 3.81Å; V1578-I1582 VanDerWaalsContact O-CG1 3.31Å; V1578-I1582 WeakPolarHBondContact O-CG1 3.46Å; V1578-I1582 PolarHBondContact O-N 3.29Å |
| 1579 | K | 90 | Very high | 78.3 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 38% | 0.383 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 176 | -75.6 | 166.5 | 180 | 169.7 | 0 | 112.9 | L1539 L1575 Q1576 I1582 S1583 | L1539-K1579 HydrophobicContact CD1-CD 4.14Å; L1539-K1579 HydrophobicContact CD1-CG 3.45Å; L1539-K1579 VanDerWaalsContact CD1-CG 3.45Å; L1575-K1579 HydrophobicContact CG-CD 4.37Å; L1575-K1579 WeakPolarHBondContact O-CB 3.27Å; L1575-K1579 WeakPolarHBondContact O-CD 3.44Å; L1575-K1579 VanDerWaalsContact O-CG 3.23Å; L1575-K1579 WeakPolarHBondContact O-CG 3.37Å; L1575-K1579 PolarHBondContact O-N 3Å; Q1576-K1579 PolarHBondContact O-N 2.84Å; K1579-I1582 PolarHBondContact O-N 2.81Å; K1579-S1583 PolarHBondContact O-N 3.16Å |
| 1580 | G | 90.8 | Very high | 80.6 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1576 N1577 V1578 S1583 V1584 | Q1576-G1580 PolarHBondContact O-N 2.8Å; N1577-G1580 PolarHBondContact O-N 3.23Å; V1578-G1580 PolarHBondContact O-N 3.4Å; G1580-S1583 PolarHBondContact O-N 3.32Å; G1580-S1583 PolarHBondContact O-OG 2.84Å; G1580-V1584 PolarHBondContact O-N 3.12Å |
| 1581 | I | 91.7 | Very high | 82.6 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 177.2 | -68.6 | 168.9 | 0 | 0 | 0 | 111.4 | I1490 L1493 L1535 N1577 V1578 S1583 V1584 F1585 I1628 F1632 | I1490-I1581 HydrophobicContact CG1-CD1 4.41Å; L1493-I1581 HydrophobicContact CD2-CD1 3.5Å; L1535-I1581 HydrophobicContact CD1-CG2 3.64Å; N1577-I1581 WeakPolarHBondContact O-CG1 3.34Å; N1577-I1581 PolarHBondContact O-N 3.29Å; V1578-I1581 PolarHBondContact O-N 3.17Å; I1581-S1583 VanDerWaalsContact C-N 3.34Å; I1581-S1583 PolarHBondContact O-N 2.74Å; I1581-V1584 PolarHBondContact O-N 2.84Å; I1581-F1585 HydrophobicContact CG2-CD2 4.06Å; I1581-F1585 HydrophobicContact CG2-CE2 3.8Å; I1581-F1585 WeakPolarHBondContact O-CD2 3.24Å; I1581-F1585 PolarHBondContact O-N 2.92Å; I1581-I1628 HydrophobicContact CD1-CD1 4.18Å; I1581-I1628 HydrophobicContact CD1-CG1 4.48Å; I1581-F1632 HydrophobicContact CB-CD1 4.5Å; I1581-F1632 HydrophobicContact CG1-CD1 4.25Å; I1581-F1632 HydrophobicContact CG2-CD1 4.18Å; I1581-F1632 HydrophobicContact CG2-CE1 3.78Å; I1581-F1632 HydrophobicContact CG2-CZ 4.34Å |
| 1582 | I | 89.7 | Confident | 84.1 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -46.2 | 173.4 | -67.6 | 162.4 | 0 | 0 | 0 | 110.7 | Y1532 L1535 L1539 V1578 K1579 V1584 F1585 D1586 | Y1532-I1582 HydrophobicContact CE2-CG2 4.12Å; L1535-I1582 HydrophobicContact CB-CD1 4.02Å; L1535-I1582 HydrophobicContact CB-CG1 3.84Å; L1535-I1582 HydrophobicContact CD1-CG1 4.44Å; L1539-I1582 HydrophobicContact CB-CD1 4.43Å; L1539-I1582 HydrophobicContact CD1-CD1 4.33Å; L1539-I1582 HydrophobicContact CD2-CD1 4.28Å; V1578-I1582 HydrophobicContact CG1-CD1 3.81Å; V1578-I1582 VanDerWaalsContact O-CG1 3.31Å; V1578-I1582 WeakPolarHBondContact O-CG1 3.46Å; V1578-I1582 PolarHBondContact O-N 3.29Å; K1579-I1582 PolarHBondContact O-N 2.81Å; I1582-V1584 PolarHBondContact O-N 3.07Å; I1582-V1584 VanDerWaalsContact O-N 3.16Å; I1582-F1585 WeakPolarHBondContact O-CA 3.18Å; I1582-F1585 WeakPolarHBondContact O-CB 3.19Å; I1582-F1585 PolarHBondContact O-N 3.12Å; I1582-D1586 PolarHBondContact O-N 3.24Å |
| 1583 | S | 90.6 | Very high | 85.1 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 39% | 0.392 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.4 | -26 | -179.3 | 78.2 | 0 | 0 | 0 | 0 | 114.5 | K1579 G1580 I1581 T1587 | K1579-S1583 PolarHBondContact O-N 3.16Å; G1580-S1583 PolarHBondContact O-N 3.32Å; G1580-S1583 PolarHBondContact O-OG 2.84Å; I1581-S1583 VanDerWaalsContact C-N 3.34Å; I1581-S1583 PolarHBondContact O-N 2.74Å; S1583-T1587 VanDerWaalsContact O-CB 3.26Å; S1583-T1587 WeakPolarHBondContact O-CB 3.42Å; S1583-T1587 PolarHBondContact O-N 2.9Å; S1583-T1587 PolarHBondContact O-OG1 2.76Å |
| 1584 | V | 91.8 | Very high | 86 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.9 | -38.7 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 111 | L1481 G1580 I1581 I1582 T1587 I1588 L1619 V1629 F1632 K1633 I1636 | L1481-V1584 HydrophobicContact CD2-CG1 4.48Å; G1580-V1584 PolarHBondContact O-N 3.12Å; I1581-V1584 PolarHBondContact O-N 2.84Å; I1582-V1584 PolarHBondContact O-N 3.07Å; I1582-V1584 VanDerWaalsContact O-N 3.16Å; V1584-T1587 PolarHBondContact O-N 2.7Å; V1584-I1588 HydrophobicContact CG1-CD1 4.43Å; V1584-I1588 PolarHBondContact O-N 3.01Å; V1584-L1619 HydrophobicContact CG1-CD2 3.92Å; V1584-V1629 HydrophobicContact CG2-CG1 4.32Å; V1584-F1632 HydrophobicContact CB-CD1 3.84Å; V1584-F1632 HydrophobicContact CB-CE1 3.84Å; V1584-F1632 HydrophobicContact CG1-CD1 3.64Å; V1584-F1632 HydrophobicContact CG1-CE1 3.58Å; V1584-F1632 HydrophobicContact CG2-CD1 4.19Å; V1584-K1633 HydrophobicContact CG2-CG 3.96Å; V1584-I1636 HydrophobicContact CG1-CD1 3.62Å |
| 1585 | F | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 169.8 | -81.7 | -68.8 | 0 | 0 | 0 | 111.7 | L1481 L1485 C1528 Y1532 L1535 I1581 I1582 T1587 I1588 G1589 F1632 L1835 L1836 | L1481-F1585 HydrophobicContact CD1-CD1 4.15Å; L1481-F1585 HydrophobicContact CD1-CE1 4.13Å; L1481-F1585 HydrophobicContact CD2-CD1 4.18Å; L1481-F1585 HydrophobicContact CD2-CE1 3.83Å; L1481-F1585 HydrophobicContact CD2-CZ 4.23Å; L1481-F1585 HydrophobicContact CG-CE1 4.45Å; L1485-F1585 HydrophobicContact CD1-CZ 4.08Å; L1485-F1585 HydrophobicContact CD2-CE2 4.28Å; L1485-F1585 HydrophobicContact CD2-CZ 3.94Å; L1485-F1585 HydrophobicContact CG-CZ 4.2Å; C1528-F1585 HydrophobicContact CB-CE1 4.05Å; Y1532-F1585 HydrophobicContact CD2-CB 3.62Å; Y1532-F1585 HydrophobicContact CD2-CD2 4.26Å; Y1532-F1585 AromaticContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CD2-CG 3.96Å; Y1532-F1585 HydrophobicContact CE2-CB 4.01Å; L1535-F1585 HydrophobicContact CD1-CD2 4.42Å; L1535-F1585 HydrophobicContact CD1-CE2 4.14Å; I1581-F1585 HydrophobicContact CG2-CD2 4.06Å; I1581-F1585 HydrophobicContact CG2-CE2 3.8Å; I1581-F1585 WeakPolarHBondContact O-CD2 3.24Å; I1581-F1585 PolarHBondContact O-N 2.92Å; I1582-F1585 WeakPolarHBondContact O-CA 3.18Å; I1582-F1585 WeakPolarHBondContact O-CB 3.19Å; I1582-F1585 PolarHBondContact O-N 3.12Å; F1585-T1587 VanDerWaalsContact C-N 3.3Å; F1585-T1587 PolarHBondContact O-N 3.34Å; F1585-I1588 PolarHBondContact O-N 3.28Å; F1585-G1589 PolarHBondContact O-N 2.91Å; F1585-F1632 HydrophobicContact CD2-CE1 4.41Å; F1585-F1632 HydrophobicContact CE2-CE1 4.11Å; F1585-F1632 AromaticContact CE2-CZ 3.88Å; F1585-F1632 HydrophobicContact CE2-CZ 3.88Å; F1585-F1632 AromaticContact CZ-CZ 3.9Å; F1585-F1632 HydrophobicContact CZ-CZ 3.9Å; F1585-L1835 HydrophobicContact CE1-CD1 4.45Å; F1585-L1836 HydrophobicContact CB-CD1 4.45Å |
| 1586 | D | 85.9 | Confident | 85.7 | Confident | 55 Ų | 55 | 31.6 Ų | 31.6 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 178.7 | -63.7 | -26 | 0 | 0 | 0 | 111.9 | Y1532 I1582 I1588 G1589 Q1590 | Y1532-D1586 PolarHBondContact OH-OD1 2.76Å; I1582-D1586 PolarHBondContact O-N 3.24Å; D1586-I1588 VanDerWaalsContact C-N 3.31Å; D1586-I1588 PolarHBondContact O-N 3.37Å; D1586-G1589 PolarHBondContact O-N 3.47Å; D1586-Q1590 WeakPolarHBondContact O-CB 3.29Å; D1586-Q1590 WeakPolarHBondContact O-CG 3.49Å; D1586-Q1590 PolarHBondContact O-N 3.32Å |
| 1587 | T | 89.1 | Confident | 85.2 | Confident | 18 Ų | 18 | 29 Ų | 29 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59 | -40.2 | 177.1 | -77.2 | 0 | 0 | 0 | 0 | 112.5 | S1583 V1584 F1585 T1591 L1614 R1618 L1619 | S1583-T1587 VanDerWaalsContact O-CB 3.26Å; S1583-T1587 WeakPolarHBondContact O-CB 3.42Å; S1583-T1587 PolarHBondContact O-N 2.9Å; S1583-T1587 PolarHBondContact O-OG1 2.76Å; V1584-T1587 PolarHBondContact O-N 2.7Å; F1585-T1587 VanDerWaalsContact C-N 3.3Å; F1585-T1587 PolarHBondContact O-N 3.34Å; T1587-T1591 PolarHBondContact O-N 3.01Å; T1587-T1591 PolarHBondContact O-OG1 3.1Å; T1587-L1614 HydrophobicContact CG2-CD1 3.81Å; T1587-R1618 HydrophobicContact CG2-CB 3.62Å; T1587-R1618 PolarHBondContact OG1-NH2 3.18Å; T1587-L1619 HydrophobicContact CG2-CD2 3.9Å; T1587-L1619 HydrophobicContact CG2-CG 4.49Å |
| 1588 | I | 87.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -82.3 | -35.6 | 177.8 | -67.3 | 166.4 | 0 | 0 | 0 | 110.8 | L1477 L1481 V1584 F1585 D1586 Q1590 T1591 L1592 L1614 L1619 I1636 L1835 | L1477-I1588 HydrophobicContact CB-CG2 4.45Å; L1477-I1588 HydrophobicContact CD2-CG2 4.43Å; L1481-I1588 HydrophobicContact CD1-CB 4.01Å; L1481-I1588 HydrophobicContact CD1-CD1 3.54Å; L1481-I1588 HydrophobicContact CD1-CG1 4.36Å; L1481-I1588 HydrophobicContact CD1-CG2 3.74Å; L1481-I1588 HydrophobicContact CD2-CD1 4.01Å; L1481-I1588 HydrophobicContact CG-CD1 3.73Å; V1584-I1588 HydrophobicContact CG1-CD1 4.43Å; V1584-I1588 PolarHBondContact O-N 3.01Å; F1585-I1588 PolarHBondContact O-N 3.28Å; D1586-I1588 VanDerWaalsContact C-N 3.31Å; D1586-I1588 PolarHBondContact O-N 3.37Å; I1588-Q1590 PolarHBondContact O-N 3.45Å; I1588-T1591 WeakPolarHBondContact O-CA 3.46Å; I1588-T1591 VanDerWaalsContact O-CB 3.3Å; I1588-T1591 WeakPolarHBondContact O-CB 3.3Å; I1588-T1591 PolarHBondContact O-N 3.37Å; I1588-L1592 PolarHBondContact O-N 3.27Å; I1588-L1614 HydrophobicContact CG1-CD1 4.05Å; I1588-L1614 HydrophobicContact CG1-CD2 4.36Å; I1588-L1619 HydrophobicContact CD1-CD1 4.17Å; I1588-I1636 HydrophobicContact CD1-CD1 4.45Å; I1588-I1636 HydrophobicContact CD1-CG2 4.1Å; I1588-L1835 HydrophobicContact CG2-CD2 4.07Å |
| 1589 | G | 82.3 | Confident | 83.3 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -47.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1585 D1586 T1591 L1592 E1593 | F1585-G1589 PolarHBondContact O-N 2.91Å; D1586-G1589 PolarHBondContact O-N 3.47Å; G1589-T1591 PolarHBondContact O-N 3.34Å; G1589-L1592 CarbonylContact O-C 3.49Å; G1589-L1592 WeakPolarHBondContact O-CA 3.31Å; G1589-L1592 WeakPolarHBondContact O-CB 3.45Å; G1589-L1592 PolarHBondContact O-N 2.83Å; G1589-E1593 PolarHBondContact O-N 3.38Å |
| 1590 | Q | 82.6 | Confident | 82.6 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 28% | 0.28 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.7 | -29.9 | 173.5 | -69 | 162.5 | 19.8 | 0 | 0 | 113 | F373 D1586 I1588 F1594 | F373-Q1590 HydrophobicContact CZ-CB 3.97Å; F373-Q1590 HydrophobicContact CZ-CG 4.43Å; D1586-Q1590 WeakPolarHBondContact O-CB 3.29Å; D1586-Q1590 WeakPolarHBondContact O-CG 3.49Å; D1586-Q1590 PolarHBondContact O-N 3.32Å; I1588-Q1590 PolarHBondContact O-N 3.45Å; Q1590-F1594 WeakPolarHBondContact O-CB 3.2Å; Q1590-F1594 PolarHBondContact O-N 3.27Å |
| 1591 | T | 85.5 | Confident | 82.1 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.8 | -34.7 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | T1587 I1588 G1589 I1595 I1610 | T1587-T1591 PolarHBondContact O-N 3.01Å; T1587-T1591 PolarHBondContact O-OG1 3.1Å; I1588-T1591 WeakPolarHBondContact O-CA 3.46Å; I1588-T1591 VanDerWaalsContact O-CB 3.3Å; I1588-T1591 WeakPolarHBondContact O-CB 3.3Å; I1588-T1591 PolarHBondContact O-N 3.37Å; G1589-T1591 PolarHBondContact O-N 3.34Å; T1591-I1595 VanDerWaalsContact O-CG1 3.31Å; T1591-I1595 WeakPolarHBondContact O-CG1 3.43Å; T1591-I1595 PolarHBondContact O-N 2.88Å; T1591-I1610 HydrophobicContact CG2-CG2 3.61Å |
| 1592 | L | 80.6 | Confident | 81.8 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.6 | -44.7 | 171 | -63.6 | 171 | 0 | 0 | 0 | 111.5 | V1474 L1477 I1588 G1589 F1594 I1595 H1596 L1835 L1838 | V1474-L1592 HydrophobicContact CB-CD2 4.48Å; V1474-L1592 HydrophobicContact CG1-CD2 4.04Å; V1474-L1592 HydrophobicContact CG2-CD2 4.03Å; L1477-L1592 HydrophobicContact CD1-CD2 4.11Å; I1588-L1592 PolarHBondContact O-N 3.27Å; G1589-L1592 CarbonylContact O-C 3.49Å; G1589-L1592 WeakPolarHBondContact O-CA 3.31Å; G1589-L1592 WeakPolarHBondContact O-CB 3.45Å; G1589-L1592 PolarHBondContact O-N 2.83Å; L1592-F1594 VanDerWaalsContact C-N 3.28Å; L1592-F1594 PolarHBondContact O-N 3.16Å; L1592-I1595 CarbonylContact O-C 3.52Å; L1592-I1595 WeakPolarHBondContact O-CA 3.43Å; L1592-I1595 WeakPolarHBondContact O-CB 3.49Å; L1592-I1595 PolarHBondContact O-N 3.22Å; L1592-H1596 PolarHBondContact O-CD2 2.77Å; L1592-H1596 PolarHBondContact O-N 3.46Å; L1592-L1835 HydrophobicContact CD1-CB 4.49Å; L1592-L1835 HydrophobicContact CD1-CD2 4.17Å; L1592-L1838 HydrophobicContact CD1-CD1 3.93Å; L1592-L1838 HydrophobicContact CD2-CD1 4.31Å |
| 1593 | E | 77.3 | Confident | 81.7 | Confident | 117 Ų | 117 | 38.2 Ų | 38.2 | 55% | 0.547 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.9 | -43.5 | 175.5 | -168.1 | -163.4 | 161.1 | 0 | 0 | 111.5 | G1589 H1596 K1597 | G1589-E1593 PolarHBondContact O-N 3.38Å; E1593-H1596 PolarHBondContact O-N 2.77Å; E1593-H1596 VanDerWaalsContact O-N 3.14Å; E1593-K1597 PolarHBondContact O-N 2.89Å |
| 1594 | F | 82.1 | Confident | 81.8 | Confident | 19 Ų | 19 | 35.5 Ų | 35.5 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56 | -50.5 | 171.2 | 166.8 | -109.5 | 0 | 0 | 0 | 111.9 | L374 M377 Q1590 L1592 H1596 K1597 L1600 M1606 I1610 | L374-F1594 HydrophobicContact CD2-CD2 3.44Å; L374-F1594 VanDerWaalsContact CD2-CD2 3.44Å; L374-F1594 HydrophobicContact CD2-CE2 3.36Å; M377-F1594 HydrophobicContact CE-CD1 3.76Å; M377-F1594 HydrophobicContact CE-CD2 3.8Å; M377-F1594 HydrophobicContact CE-CE1 3.68Å; M377-F1594 HydrophobicContact CE-CE2 3.71Å; M377-F1594 HydrophobicContact CE-CG 3.82Å; M377-F1594 HydrophobicContact CE-CZ 3.65Å; M377-F1594 HydrophobicContact SD-CD1 4.3Å; M377-F1594 HydrophobicContact SD-CG 4.32Å; Q1590-F1594 WeakPolarHBondContact O-CB 3.2Å; Q1590-F1594 PolarHBondContact O-N 3.27Å; L1592-F1594 VanDerWaalsContact C-N 3.28Å; L1592-F1594 PolarHBondContact O-N 3.16Å; F1594-H1596 PolarHBondContact O-N 3.21Å; F1594-K1597 WeakPolarHBondContact O-CB 3.34Å; F1594-K1597 PolarHBondContact O-N 3.06Å; F1594-L1600 HydrophobicContact CD2-CD1 3.71Å; F1594-L1600 HydrophobicContact CE1-CD1 4.44Å; F1594-L1600 HydrophobicContact CE2-CD1 3.3Å; F1594-L1600 HydrophobicContact CE2-CD2 4.43Å; F1594-L1600 HydrophobicContact CG-CD1 4.44Å; F1594-L1600 HydrophobicContact CZ-CD1 3.73Å; F1594-L1600 WeakPolarHBondContact O-CD1 3.28Å; F1594-M1606 HydrophobicContact CE1-CE 3.69Å; F1594-M1606 HydrophobicContact CZ-CE 3.62Å; F1594-I1610 HydrophobicContact CE1-CD1 4.12Å; F1594-I1610 HydrophobicContact CE1-CG1 4.33Å |
| 1595 | I | 80.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -28.1 | 178.1 | -66.8 | 168.1 | 0 | 0 | 0 | 111.6 | L1473 V1474 T1591 L1592 K1597 L1602 I1610 L1787 L1795 | L1473-I1595 HydrophobicContact CD2-CD1 4.22Å; V1474-I1595 HydrophobicContact CG2-CD1 4.33Å; V1474-I1595 HydrophobicContact CG2-CG2 4.43Å; T1591-I1595 VanDerWaalsContact O-CG1 3.31Å; T1591-I1595 WeakPolarHBondContact O-CG1 3.43Å; T1591-I1595 PolarHBondContact O-N 2.88Å; L1592-I1595 CarbonylContact O-C 3.52Å; L1592-I1595 WeakPolarHBondContact O-CA 3.43Å; L1592-I1595 WeakPolarHBondContact O-CB 3.49Å; L1592-I1595 PolarHBondContact O-N 3.22Å; I1595-K1597 VanDerWaalsContact C-N 3.34Å; I1595-L1602 HydrophobicContact CG2-CD1 4.13Å; I1595-L1602 HydrophobicContact CG2-CD2 4.45Å; I1595-L1602 WeakPolarHBondContact O-CD1 3.44Å; I1595-I1610 HydrophobicContact CD1-CD1 4.3Å; I1595-I1610 HydrophobicContact CG1-CD1 4.31Å; I1595-L1787 HydrophobicContact CD1-CD2 4.4Å; I1595-L1787 HydrophobicContact CG1-CD2 4.1Å; I1595-L1787 HydrophobicContact CG2-CD2 4.01Å; I1595-L1795 HydrophobicContact CG2-CD1 4.46Å |
| 1596 | H | 69.7 | Low | 82.1 | Confident | 55 Ų | 55 | 35.6 Ų | 35.6 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5 | -179.5 | -59.4 | 176.6 | 0 | 0 | 0 | 113.7 | L1592 E1593 F1594 K1598 L1795 | L1592-H1596 PolarHBondContact O-CD2 2.77Å; L1592-H1596 PolarHBondContact O-N 3.46Å; E1593-H1596 PolarHBondContact O-N 2.77Å; E1593-H1596 VanDerWaalsContact O-N 3.14Å; F1594-H1596 PolarHBondContact O-N 3.21Å; H1596-K1598 PolarHBondContact O-N 3.3Å; H1596-K1598 VanDerWaalsContact O-N 3.16Å; H1596-L1795 PolarHBondContact CE1-O 3.26Å; H1596-L1795 PolarHBondContact ND1-O 2.96Å; H1596-L1795 VanDerWaalsContact ND1-O 3.17Å |
| 1597 | K | 75.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 33 Ų | 33 | 24% | 0.243 | 16% | 0.163 | C | C | . | . | trans | -66.1 | 114.7 | 178.5 | -172.4 | -177 | 176.1 | -177.3 | 0 | 111.2 | E1593 F1594 I1595 D1599 L1600 E1758 | E1593-K1597 PolarHBondContact O-N 2.89Å; F1594-K1597 WeakPolarHBondContact O-CB 3.34Å; F1594-K1597 PolarHBondContact O-N 3.06Å; I1595-K1597 VanDerWaalsContact C-N 3.34Å; K1597-D1599 WeakPolarHBondContact CE-OD2 3.32Å; K1597-D1599 IonicContact NZ-OD2 2.71Å; K1597-D1599 PolarHBondContact O-N 2.95Å; K1597-L1600 HydrophobicContact CB-CD1 3.93Å; K1597-L1600 HydrophobicContact CB-CG 4.12Å; K1597-L1600 HydrophobicContact CD-CG 4.38Å; K1597-L1600 HydrophobicContact CG-CG 4.47Å; K1597-L1600 PolarHBondContact O-N 3.1Å; K1597-E1758 IonicContact NZ-OE1 2.71Å; K1597-E1758 PolarHBondContact NZ-OE1 3.12Å; K1597-E1758 IonicContact NZ-OE2 2.99Å; K1597-E1758 PolarHBondContact NZ-OE2 2.97Å; K1597-E1758 VanDerWaalsContact NZ-OE2 3.13Å | ||
| 1598 | K | 65.8 | Low | 82.8 | Confident | 136 Ų | 136 | 32.6 Ų | 32.6 | 59% | 0.591 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -29.4 | -174.4 | -64.8 | -180 | -177.8 | 173.9 | 0 | 115.7 | D756 H1596 L1600 | D756-K1598 IonicContact OD2-NZ 2.66Å; D756-K1598 PolarHBondContact OD2-NZ 2.62Å; H1596-K1598 PolarHBondContact O-N 3.3Å; H1596-K1598 VanDerWaalsContact O-N 3.16Å; K1598-L1600 VanDerWaalsContact C-N 3.33Å |
| 1599 | D | 70.5 | Confident | 83.1 | Confident | 108 Ų | 108 | 33.2 Ų | 33.2 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -4.5 | -175.2 | -44 | -55.6 | 0 | 0 | 0 | 113.3 | K1597 | K1597-D1599 WeakPolarHBondContact CE-OD2 3.32Å; K1597-D1599 IonicContact NZ-OD2 2.71Å; K1597-D1599 PolarHBondContact O-N 2.95Å |
| 1600 | L | 75.9 | Confident | 83.7 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | trans | -90.5 | 129.2 | -177.5 | -65.5 | 178.2 | 0 | 0 | 0 | 112.7 | F1594 K1597 K1598 L1602 E1758 | F1594-L1600 HydrophobicContact CD2-CD1 3.71Å; F1594-L1600 HydrophobicContact CE1-CD1 4.44Å; F1594-L1600 HydrophobicContact CE2-CD1 3.3Å; F1594-L1600 HydrophobicContact CE2-CD2 4.43Å; F1594-L1600 HydrophobicContact CG-CD1 4.44Å; F1594-L1600 HydrophobicContact CZ-CD1 3.73Å; F1594-L1600 WeakPolarHBondContact O-CD1 3.28Å; K1597-L1600 HydrophobicContact CB-CD1 3.93Å; K1597-L1600 HydrophobicContact CB-CG 4.12Å; K1597-L1600 HydrophobicContact CD-CG 4.38Å; K1597-L1600 HydrophobicContact CG-CG 4.47Å; K1597-L1600 PolarHBondContact O-N 3.1Å; K1598-L1600 VanDerWaalsContact C-N 3.33Å; L1600-L1602 HydrophobicContact CB-CD2 3.88Å; L1600-L1602 PolarHBondContact O-N 3.47Å; L1600-L1602 VanDerWaalsContact O-N 3.16Å; L1600-E1758 HydrophobicContact CD2-CG 4.04Å | ||
| 1601 | I | 81.3 | Confident | 84.3 | Confident | 43 Ų | 43 | 30.1 Ų | 30.1 | 22% | 0.221 | 15% | 0.145 | C | C | . | . | trans | -81.3 | 97.2 | 170.8 | -64.2 | -176.8 | 0 | 0 | 0 | 109.2 | T1348 T1603 R1663 D1760 Y1762 | T1348-I1601 HydrophobicContact CG2-CG2 4.42Å; I1601-T1603 HydrophobicContact CG2-CG2 4.13Å; I1601-T1603 PolarHBondContact O-N 3.48Å; I1601-T1603 PolarHBondContact O-OG1 3.11Å; I1601-R1663 PolarHBondContact O-NH1 2.75Å; I1601-R1663 VanDerWaalsContact O-NH1 3.16Å; I1601-R1663 PolarHBondContact O-NH2 3.43Å; I1601-D1760 HydrophobicContact CD1-CB 3.59Å; I1601-D1760 VanDerWaalsContact CD1-OD1 3.26Å; I1601-D1760 WeakPolarHBondContact CD1-OD1 3.23Å; I1601-Y1762 HydrophobicContact CG2-CD2 3.85Å; I1601-Y1762 HydrophobicContact CG2-CE2 3.52Å | ||
| 1602 | L | 83.8 | Confident | 84.6 | Confident | 36 Ų | 36 | 30.3 Ų | 30.3 | 19% | 0.188 | 15% | 0.146 | C | C | . | . | trans | -76.2 | 111.1 | -174.9 | -55 | -175.5 | 0 | 0 | 0 | 111.6 | I1595 L1600 M1606 L1787 I1788 | I1595-L1602 HydrophobicContact CG2-CD1 4.13Å; I1595-L1602 HydrophobicContact CG2-CD2 4.45Å; I1595-L1602 WeakPolarHBondContact O-CD1 3.44Å; L1600-L1602 HydrophobicContact CB-CD2 3.88Å; L1600-L1602 PolarHBondContact O-N 3.47Å; L1600-L1602 VanDerWaalsContact O-N 3.16Å; L1602-M1606 HydrophobicContact CD2-CE 4.37Å; L1602-M1606 HydrophobicContact CD2-SD 4.34Å; L1602-L1787 HydrophobicContact CB-CB 3.99Å; L1602-L1787 HydrophobicContact CB-CD2 4.07Å; L1602-L1787 HydrophobicContact CD2-CD2 3.97Å; L1602-L1787 HydrophobicContact CG-CD2 4.43Å; L1602-I1788 HydrophobicContact CD1-CD1 4.14Å | ||
| 1603 | T | 89.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -138.4 | 152.9 | -172.9 | 38.4 | 0 | 0 | 0 | 0 | 110.6 | I1601 S1605 M1606 R1663 Y1762 L1783 I1785 | I1601-T1603 HydrophobicContact CG2-CG2 4.13Å; I1601-T1603 PolarHBondContact O-N 3.48Å; I1601-T1603 PolarHBondContact O-OG1 3.11Å; T1603-S1605 PolarHBondContact O-N 3.29Å; T1603-S1605 VanDerWaalsContact O-N 3.11Å; T1603-S1605 PolarHBondContact OG1-OG 3.3Å; T1603-S1605 VanDerWaalsContact OG1-OG 3.09Å; T1603-M1606 VanDerWaalsContact O-CB 3.28Å; T1603-M1606 WeakPolarHBondContact O-CB 3.45Å; T1603-M1606 WeakPolarHBondContact O-CG 3Å; T1603-M1606 PolarHBondContact O-N 2.88Å; T1603-R1663 PolarHBondContact OG1-NH2 3.28Å; T1603-Y1762 HydrophobicContact CG2-CE2 4Å; T1603-L1783 HydrophobicContact CG2-CD2 4.48Å; T1603-L1783 WeakPolarHBondContact CG2-O 3.26Å; T1603-I1785 CarbonylContact C-O 3.53Å; T1603-I1785 WeakPolarHBondContact CA-O 3.48Å |
| 1604 | G | 91.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -61.5 | -20.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1606 I1607 I1785 | G1604-M1606 PolarHBondContact O-N 2.84Å; G1604-I1607 WeakPolarHBondContact O-CB 3.13Å; G1604-I1607 WeakPolarHBondContact O-CG1 3.46Å; G1604-I1607 PolarHBondContact O-N 3.48Å; G1604-I1607 VanDerWaalsContact O-N 3.11Å; G1604-I1785 PolarHBondContact N-O 3.36Å |
| 1605 | S | 94.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -59.1 | -20.9 | 168.1 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | T1603 P1609 A1657 S1658 D1661 | T1603-S1605 PolarHBondContact O-N 3.29Å; T1603-S1605 VanDerWaalsContact O-N 3.11Å; T1603-S1605 PolarHBondContact OG1-OG 3.3Å; T1603-S1605 VanDerWaalsContact OG1-OG 3.09Å; S1605-P1609 WeakPolarHBondContact O-CD 3.31Å; S1605-P1609 WeakPolarHBondContact O-CG 3.4Å; S1605-A1657 WeakPolarHBondContact CB-O 3.28Å; S1605-S1658 PolarHBondContact O-OG 3.24Å; S1605-S1658 VanDerWaalsContact O-OG 3.05Å; S1605-D1661 WeakPolarHBondContact CB-OD2 3.22Å; S1605-D1661 PolarHBondContact OG-OD2 3.19Å |
| 1606 | M | 94.2 | Very high | 87 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -80 | -21.5 | 176.1 | -58.5 | 176.6 | 67.2 | 0 | 0 | 112.7 | F1594 L1602 T1603 G1604 K1608 P1609 I1610 F1664 L1787 | F1594-M1606 HydrophobicContact CE1-CE 3.69Å; F1594-M1606 HydrophobicContact CZ-CE 3.62Å; L1602-M1606 HydrophobicContact CD2-CE 4.37Å; L1602-M1606 HydrophobicContact CD2-SD 4.34Å; T1603-M1606 VanDerWaalsContact O-CB 3.28Å; T1603-M1606 WeakPolarHBondContact O-CB 3.45Å; T1603-M1606 WeakPolarHBondContact O-CG 3Å; T1603-M1606 PolarHBondContact O-N 2.88Å; G1604-M1606 PolarHBondContact O-N 2.84Å; M1606-K1608 PolarHBondContact O-N 3.06Å; M1606-P1609 WeakPolarHBondContact O-CD 3.46Å; M1606-I1610 HydrophobicContact CB-CD1 4.01Å; M1606-I1610 WeakPolarHBondContact O-CB 3.46Å; M1606-I1610 WeakPolarHBondContact O-CD1 3.39Å; M1606-I1610 VanDerWaalsContact O-CG1 3.24Å; M1606-I1610 WeakPolarHBondContact O-CG1 3.35Å; M1606-I1610 PolarHBondContact O-N 2.78Å; M1606-F1664 HydrophobicContact CB-CE2 4.37Å; M1606-F1664 HydrophobicContact CB-CZ 4.48Å; M1606-F1664 HydrophobicContact CG-CE2 3.71Å; M1606-F1664 HydrophobicContact CG-CZ 3.87Å; M1606-L1787 HydrophobicContact CB-CD1 4.21Å; M1606-L1787 HydrophobicContact CB-CD2 4.49Å; M1606-L1787 HydrophobicContact SD-CD2 4.38Å |
| 1607 | I | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -53.1 | -173.3 | -65.4 | 168.8 | 0 | 0 | 0 | 111.2 | L1473 G1604 I1610 L1611 F1644 L1654 L1787 | L1473-I1607 HydrophobicContact CB-CG1 4.45Å; G1604-I1607 WeakPolarHBondContact O-CB 3.13Å; G1604-I1607 WeakPolarHBondContact O-CG1 3.46Å; G1604-I1607 PolarHBondContact O-N 3.48Å; G1604-I1607 VanDerWaalsContact O-N 3.11Å; I1607-I1610 PolarHBondContact O-N 2.85Å; I1607-L1611 HydrophobicContact CG2-CD1 3.66Å; I1607-L1611 HydrophobicContact CG2-CG 4.37Å; I1607-L1611 WeakPolarHBondContact O-CB 3.32Å; I1607-L1611 WeakPolarHBondContact O-CG 3.36Å; I1607-L1611 PolarHBondContact O-N 3.37Å; I1607-F1644 HydrophobicContact CG2-CD1 4.09Å; I1607-F1644 HydrophobicContact CG2-CE1 3.77Å; I1607-F1644 HydrophobicContact CG2-CZ 4.23Å; I1607-L1654 HydrophobicContact CB-CD1 4.39Å; I1607-L1654 HydrophobicContact CB-CD2 3.99Å; I1607-L1654 HydrophobicContact CD1-CD2 3.74Å; I1607-L1654 HydrophobicContact CG1-CD2 4.39Å; I1607-L1654 HydrophobicContact CG2-CD1 3.78Å; I1607-L1654 HydrophobicContact CG2-CD2 4.22Å; I1607-L1787 HydrophobicContact CB-CD1 4.47Å; I1607-L1787 HydrophobicContact CD1-CD1 4.33Å; I1607-L1787 HydrophobicContact CG1-CD1 3.39Å |
| 1608 | K | 94.4 | Very high | 88.7 | Confident | 11 Ų | 11 | 27.9 Ų | 27.9 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.6 | -40.4 | -176.5 | -163.9 | 56 | 171.3 | -177.1 | 0 | 113 | M1606 I1610 L1611 T1612 N1646 L1654 W1655 | M1606-K1608 PolarHBondContact O-N 3.06Å; K1608-I1610 PolarHBondContact O-N 2.87Å; K1608-L1611 PolarHBondContact O-N 3.31Å; K1608-T1612 WeakPolarHBondContact O-CB 3.28Å; K1608-T1612 PolarHBondContact O-N 3.39Å; K1608-T1612 PolarHBondContact O-OG1 3.24Å; K1608-N1646 PolarHBondContact NZ-OD1 3.18Å; K1608-N1646 VanDerWaalsContact NZ-OD1 3.1Å; K1608-L1654 HydrophobicContact CB-CB 4.36Å; K1608-W1655 HydrophobicContact CD-CZ2 4.21Å; K1608-W1655 HydrophobicContact CG-CD2 4.02Å; K1608-W1655 HydrophobicContact CG-CE3 4.34Å; K1608-W1655 HydrophobicContact CG-CH2 4.02Å; K1608-W1655 HydrophobicContact CG-CZ2 3.65Å; K1608-W1655 HydrophobicContact CG-CZ3 4.35Å |
| 1609 | P | 93.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 8% | 0.078 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.6 | -45.8 | 168.5 | -29.8 | 35.4 | 0 | 0 | 0 | 113.7 | S1605 M1606 T1612 N1613 S1658 F1664 | S1605-P1609 WeakPolarHBondContact O-CD 3.31Å; S1605-P1609 WeakPolarHBondContact O-CG 3.4Å; M1606-P1609 WeakPolarHBondContact O-CD 3.46Å; P1609-T1612 PolarHBondContact O-N 2.87Å; P1609-N1613 PolarHBondContact O-N 3.43Å; P1609-S1658 WeakPolarHBondContact CD-OG 3.35Å; P1609-F1664 HydrophobicContact CB-CD1 4Å; P1609-F1664 HydrophobicContact CB-CE1 4.2Å; P1609-F1664 HydrophobicContact CB-CG 4.31Å; P1609-F1664 HydrophobicContact CG-CB 4.02Å; P1609-F1664 HydrophobicContact CG-CD1 3.84Å; P1609-F1664 HydrophobicContact CG-CD2 3.9Å; P1609-F1664 HydrophobicContact CG-CE1 4.32Å; P1609-F1664 HydrophobicContact CG-CE2 4.39Å; P1609-F1664 HydrophobicContact CG-CG 3.62Å |
| 1610 | I | 94.5 | Very high | 91 | Very high | 10 Ų | 10 | 18 Ų | 18 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -50.9 | 178.4 | -66.3 | 164.1 | 0 | 0 | 0 | 110.7 | L1473 T1591 F1594 I1595 M1606 I1607 K1608 T1612 N1613 L1614 L1787 | L1473-I1610 HydrophobicContact CD2-CB 4.16Å; L1473-I1610 HydrophobicContact CD2-CD1 3.9Å; L1473-I1610 HydrophobicContact CD2-CG2 3.96Å; T1591-I1610 HydrophobicContact CG2-CG2 3.61Å; F1594-I1610 HydrophobicContact CE1-CD1 4.12Å; F1594-I1610 HydrophobicContact CE1-CG1 4.33Å; I1595-I1610 HydrophobicContact CD1-CD1 4.3Å; I1595-I1610 HydrophobicContact CG1-CD1 4.31Å; M1606-I1610 HydrophobicContact CB-CD1 4.01Å; M1606-I1610 WeakPolarHBondContact O-CB 3.46Å; M1606-I1610 WeakPolarHBondContact O-CD1 3.39Å; M1606-I1610 VanDerWaalsContact O-CG1 3.24Å; M1606-I1610 WeakPolarHBondContact O-CG1 3.35Å; M1606-I1610 PolarHBondContact O-N 2.78Å; I1607-I1610 PolarHBondContact O-N 2.85Å; K1608-I1610 PolarHBondContact O-N 2.87Å; I1610-T1612 VanDerWaalsContact C-N 3.26Å; I1610-T1612 PolarHBondContact O-N 2.9Å; I1610-N1613 PolarHBondContact O-N 3.48Å; I1610-L1614 WeakPolarHBondContact O-CB 3.35Å; I1610-L1614 PolarHBondContact O-N 3.38Å; I1610-L1787 HydrophobicContact CD1-CD1 4.46Å; I1610-L1787 HydrophobicContact CD1-CD2 4.48Å |
| 1611 | L | 94.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -36.2 | 177.3 | -69.7 | 169.2 | 0 | 0 | 0 | 112.6 | L1473 I1607 K1608 C1615 L1640 F1644 | L1473-L1611 HydrophobicContact CD1-CD2 3.76Å; L1473-L1611 HydrophobicContact CD1-CG 4.03Å; I1607-L1611 HydrophobicContact CG2-CD1 3.66Å; I1607-L1611 HydrophobicContact CG2-CG 4.37Å; I1607-L1611 WeakPolarHBondContact O-CB 3.32Å; I1607-L1611 WeakPolarHBondContact O-CG 3.36Å; I1607-L1611 PolarHBondContact O-N 3.37Å; K1608-L1611 PolarHBondContact O-N 3.31Å; L1611-C1615 WeakPolarHBondContact O-CB 3.33Å; L1611-C1615 PolarHBondContact O-N 2.87Å; L1611-L1640 HydrophobicContact CD2-CB 4.38Å; L1611-L1640 HydrophobicContact CD2-CD2 4.39Å; L1611-F1644 HydrophobicContact CD1-CB 3.68Å; L1611-F1644 HydrophobicContact CD1-CD1 3.96Å; L1611-F1644 HydrophobicContact CD1-CD2 3.51Å; L1611-F1644 HydrophobicContact CD1-CE1 4.47Å; L1611-F1644 HydrophobicContact CD1-CE2 4.07Å; L1611-F1644 HydrophobicContact CD1-CG 3.44Å; L1611-F1644 VanDerWaalsContact CD1-CG 3.44Å; L1611-F1644 HydrophobicContact CD2-CD2 4.02Å; L1611-F1644 HydrophobicContact CD2-CE2 4.3Å; L1611-F1644 HydrophobicContact CG-CD2 4.41Å |
| 1612 | T | 92.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.9 | -28.9 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | K1608 P1609 I1610 D1616 K1671 | K1608-T1612 WeakPolarHBondContact O-CB 3.28Å; K1608-T1612 PolarHBondContact O-N 3.39Å; K1608-T1612 PolarHBondContact O-OG1 3.24Å; P1609-T1612 PolarHBondContact O-N 2.87Å; I1610-T1612 VanDerWaalsContact C-N 3.26Å; I1610-T1612 PolarHBondContact O-N 2.9Å; T1612-D1616 WeakPolarHBondContact CG2-OD2 3.44Å; T1612-D1616 VanDerWaalsContact O-CB 3.31Å; T1612-D1616 WeakPolarHBondContact O-CB 3.43Å; T1612-K1671 HydrophobicContact CG2-CD 4.29Å; T1612-K1671 VanDerWaalsContact CG2-NZ 3.33Å |
| 1613 | N | 92 | Very high | 91.3 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -76 | -48.7 | 170.1 | 170.5 | -86.4 | 0 | 0 | 0 | 111.3 | M377 P1609 I1610 I1617 R1618 | M377-N1613 PolarHBondContact O-ND2 3.33Å; P1609-N1613 PolarHBondContact O-N 3.43Å; I1610-N1613 PolarHBondContact O-N 3.48Å; N1613-I1617 HydrophobicContact CB-CD1 4.39Å; N1613-I1617 VanDerWaalsContact O-CB 3.23Å; N1613-I1617 WeakPolarHBondContact O-CB 3.39Å; N1613-I1617 VanDerWaalsContact O-CG1 3.29Å; N1613-I1617 WeakPolarHBondContact O-CG1 3.45Å; N1613-I1617 PolarHBondContact O-N 3.33Å; N1613-R1618 PolarHBondContact O-N 3.5Å; N1613-R1618 VanDerWaalsContact OD1-CD 3.27Å; N1613-R1618 WeakPolarHBondContact OD1-CD 3.12Å; N1613-R1618 WeakPolarHBondContact OD1-CG 3.5Å |
| 1614 | L | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | I | π-helix | trans | -67.2 | -53.2 | -171.4 | -174.5 | 66.6 | 0 | 0 | 0 | 111.1 | L1477 T1587 I1588 I1610 R1618 L1619 L1640 | L1477-L1614 HydrophobicContact CD2-CD2 3.35Å; T1587-L1614 HydrophobicContact CG2-CD1 3.81Å; I1588-L1614 HydrophobicContact CG1-CD1 4.05Å; I1588-L1614 HydrophobicContact CG1-CD2 4.36Å; I1610-L1614 WeakPolarHBondContact O-CB 3.35Å; I1610-L1614 PolarHBondContact O-N 3.38Å; L1614-R1618 HydrophobicContact CD1-CB 4.35Å; L1614-R1618 CarbonylContact O-C 3.21Å; L1614-R1618 PolarHBondContact O-N 2.78Å; L1614-R1618 VanDerWaalsContact O-N 3.16Å; L1614-L1619 HydrophobicContact CD1-CD1 3.99Å; L1614-L1619 HydrophobicContact CD1-CG 4Å; L1614-L1619 HydrophobicContact CD2-CD1 4.25Å; L1614-L1619 HydrophobicContact CG-CD1 3.76Å; L1614-L1619 HydrophobicContact CG-CG 4.13Å; L1614-L1619 WeakPolarHBondContact O-CB 3.43Å; L1614-L1619 PolarHBondContact O-N 3.35Å; L1614-L1640 HydrophobicContact CD2-CD1 4.1Å |
| 1615 | C | 94.3 | Very high | 90 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -79.9 | -46.1 | -174.1 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | L1611 I1617 V1637 M1641 | L1611-C1615 WeakPolarHBondContact O-CB 3.33Å; L1611-C1615 PolarHBondContact O-N 2.87Å; C1615-I1617 PolarHBondContact O-N 3.36Å; C1615-V1637 HydrophobicContact CB-CG1 4.01Å; C1615-V1637 HydrophobicContact CB-CG2 4.1Å; C1615-M1641 HydrophobicContact CB-CE 3.43Å; C1615-M1641 VanDerWaalsContact CB-CE 3.43Å |
| 1616 | D | 90.3 | Very high | 89.6 | Confident | 86 Ų | 86 | 38.1 Ų | 38.1 | 46% | 0.46 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -77.3 | -2.5 | -174.2 | -48.6 | -1.7 | 0 | 0 | 0 | 113 | T1612 | T1612-D1616 WeakPolarHBondContact CG2-OD2 3.44Å; T1612-D1616 VanDerWaalsContact O-CB 3.31Å; T1612-D1616 WeakPolarHBondContact O-CB 3.43Å |
| 1617 | I | 90.7 | Very high | 89.3 | Confident | 37 Ų | 37 | 43.9 Ų | 43.9 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -145.6 | -64.3 | -170.2 | -28.4 | 172.7 | 0 | 0 | 0 | 112.9 | A381 A384 N1613 C1615 A1620 | A381-I1617 HydrophobicContact CB-CD1 3.6Å; A384-I1617 HydrophobicContact CB-CD1 4.29Å; A384-I1617 HydrophobicContact CB-CG1 3.97Å; A384-I1617 HydrophobicContact CB-CG2 4.34Å; N1613-I1617 HydrophobicContact CB-CD1 4.39Å; N1613-I1617 VanDerWaalsContact O-CB 3.23Å; N1613-I1617 WeakPolarHBondContact O-CB 3.39Å; N1613-I1617 VanDerWaalsContact O-CG1 3.29Å; N1613-I1617 WeakPolarHBondContact O-CG1 3.45Å; N1613-I1617 PolarHBondContact O-N 3.33Å; C1615-I1617 PolarHBondContact O-N 3.36Å; I1617-A1620 WeakPolarHBondContact O-CB 2.78Å; I1617-A1620 PolarHBondContact O-N 3.2Å |
| 1618 | R | 91.2 | Very high | 89.1 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -75.8 | -29.7 | -171.2 | -57.1 | -161.8 | 67.2 | 176.8 | -0.1 | 113.2 | T1587 N1613 L1614 | T1587-R1618 HydrophobicContact CG2-CB 3.62Å; T1587-R1618 PolarHBondContact OG1-NH2 3.18Å; N1613-R1618 PolarHBondContact O-N 3.5Å; N1613-R1618 VanDerWaalsContact OD1-CD 3.27Å; N1613-R1618 WeakPolarHBondContact OD1-CD 3.12Å; N1613-R1618 WeakPolarHBondContact OD1-CG 3.5Å; L1614-R1618 HydrophobicContact CD1-CB 4.35Å; L1614-R1618 CarbonylContact O-C 3.21Å; L1614-R1618 PolarHBondContact O-N 2.78Å; L1614-R1618 VanDerWaalsContact O-N 3.16Å |
| 1619 | L | 93.9 | Very high | 89 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 17.7 | 173.2 | -53.6 | 179.9 | 0 | 0 | 0 | 111.4 | V1584 T1587 I1588 L1614 K1633 I1636 V1637 | V1584-L1619 HydrophobicContact CG1-CD2 3.92Å; T1587-L1619 HydrophobicContact CG2-CD2 3.9Å; T1587-L1619 HydrophobicContact CG2-CG 4.49Å; I1588-L1619 HydrophobicContact CD1-CD1 4.17Å; L1614-L1619 HydrophobicContact CD1-CD1 3.99Å; L1614-L1619 HydrophobicContact CD1-CG 4Å; L1614-L1619 HydrophobicContact CD2-CD1 4.25Å; L1614-L1619 HydrophobicContact CG-CD1 3.76Å; L1614-L1619 HydrophobicContact CG-CG 4.13Å; L1614-L1619 WeakPolarHBondContact O-CB 3.43Å; L1614-L1619 PolarHBondContact O-N 3.35Å; L1619-K1633 HydrophobicContact CB-CG 4.43Å; L1619-K1633 HydrophobicContact CD2-CG 4.3Å; L1619-I1636 HydrophobicContact CD1-CB 4.5Å; L1619-I1636 HydrophobicContact CD1-CG2 3.72Å; L1619-V1637 HydrophobicContact CB-CG2 3.56Å; L1619-V1637 HydrophobicContact CD1-CG2 4.09Å; L1619-V1637 HydrophobicContact CG-CG2 4.5Å |
| 1620 | A | 90.8 | Very high | 89 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | trans | -64.6 | 153.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I1617 E1622 K1633 | I1617-A1620 WeakPolarHBondContact O-CB 2.78Å; I1617-A1620 PolarHBondContact O-N 3.2Å; A1620-E1622 PolarHBondContact O-N 2.95Å; A1620-K1633 PolarHBondContact O-NZ 3.12Å | ||
| 1621 | H | 87.1 | Confident | 88.9 | Confident | 145 Ų | 145 | 46.4 Ų | 46.4 | 67% | 0.671 | 25% | 0.254 | S | S | * | . | trans | -76.1 | 120.3 | -179.7 | 169.4 | -70.6 | 0 | 0 | 0 | 111.7 | E1630 | H1621-E1630 WeakPolarHBondContact CA-OE2 3.36Å; H1621-E1630 WeakPolarHBondContact CB-OE2 3.4Å; H1621-E1630 IonicContact CD2-OE2 2.76Å; H1621-E1630 PolarHBondContact CD2-OE2 3.4Å; H1621-E1630 VanDerWaalsContact CD2-OE2 3.29Å; H1621-E1630 IonicContact CG-OE2 2.71Å | ||
| 1622 | E | 83.9 | Confident | 88.9 | Confident | 91 Ų | 91 | 46.2 Ų | 46.2 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | trans | -118.4 | 120.8 | -179.3 | -55.6 | 159.5 | 127 | 0 | 0 | 109.3 | A1620 S1624 N1625 E1630 K1633 | A1620-E1622 PolarHBondContact O-N 2.95Å; E1622-S1624 PolarHBondContact O-N 2.94Å; E1622-N1625 WeakPolarHBondContact O-CB 3.1Å; E1622-N1625 PolarHBondContact O-N 3.1Å; E1622-N1625 PolarHBondContact OE2-ND2 3.39Å; E1622-E1630 PolarHBondContact N-OE1 3.28Å; E1622-K1633 IonicContact OE2-NZ 2.68Å; E1622-K1633 PolarHBondContact OE2-NZ 3.36Å | ||
| 1623 | S | 75 | Confident | 89 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 3.9 | -175 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1624 | S | 77.3 | Confident | 89.2 | Confident | 83 Ų | 83 | 49.1 Ų | 49.1 | 58% | 0.58 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -13.8 | 171.7 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | E1622 | E1622-S1624 PolarHBondContact O-N 2.94Š|
| 1625 | N | 77.2 | Confident | 89.3 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -85.4 | 158.5 | -177.2 | -66.6 | -20.2 | 0 | 0 | 0 | 111.9 | E1622 E1630 K1633 | E1622-N1625 WeakPolarHBondContact O-CB 3.1Å; E1622-N1625 PolarHBondContact O-N 3.1Å; E1622-N1625 PolarHBondContact OE2-ND2 3.39Å; N1625-E1630 HydrophobicContact CB-CG 3.79Å; N1625-E1630 WeakPolarHBondContact CB-OE1 3.43Å; N1625-E1630 PolarHBondContact ND2-OE1 3.15Å; N1625-K1633 PolarHBondContact ND2-NZ 3.43Å |
| 1626 | L | 84.9 | Confident | 89.3 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | trans | -76.6 | 148.7 | 179.1 | -60.9 | 150.2 | 0 | 0 | 0 | 110.1 | Q1576 N1577 I1628 V1629 E1630 | Q1576-L1626 VanDerWaalsContact C-CD1 3.44Å; Q1576-L1626 HydrophobicContact CB-CD1 3.41Å; Q1576-L1626 VanDerWaalsContact CB-CD1 3.41Å; N1577-L1626 WeakPolarHBondContact OD1-CB 3.41Å; N1577-L1626 VanDerWaalsContact OD1-CD1 3.23Å; N1577-L1626 WeakPolarHBondContact OD1-CD1 3.23Å; L1626-I1628 VanDerWaalsContact C-N 3.3Å; L1626-I1628 PolarHBondContact O-N 2.8Å; L1626-V1629 HydrophobicContact CB-CG2 4.13Å; L1626-V1629 WeakPolarHBondContact O-CA 3.31Å; L1626-V1629 WeakPolarHBondContact O-CB 3.35Å; L1626-V1629 PolarHBondContact O-N 3.32Å; L1626-E1630 PolarHBondContact O-N 3.03Å; L1626-E1630 VanDerWaalsContact O-N 3.08Å | ||
| 1627 | T | 88.5 | Confident | 89.6 | Confident | 124 Ų | 124 | 47.8 Ų | 47.8 | 76% | 0.761 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.9 | -39.5 | -170.9 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | V1629 E1630 E1631 | T1627-V1629 VanDerWaalsContact C-N 3.35Å; T1627-E1630 PolarHBondContact O-N 2.88Å; T1627-E1631 PolarHBondContact O-N 2.7Å |
| 1628 | I | 91 | Very high | 89.9 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -31.7 | 176.1 | -167 | -179.3 | 0 | 0 | 0 | 113 | I1489 I1490 L1493 N1577 I1581 L1626 F1632 | I1489-I1628 HydrophobicContact CB-CD1 4.43Å; I1489-I1628 HydrophobicContact CB-CG1 4.25Å; I1489-I1628 HydrophobicContact CG2-CB 4.26Å; I1489-I1628 HydrophobicContact CG2-CD1 3.68Å; I1489-I1628 HydrophobicContact CG2-CG1 3.77Å; I1490-I1628 HydrophobicContact CD1-CG1 4.49Å; I1490-I1628 HydrophobicContact CG1-CD1 3.94Å; I1490-I1628 HydrophobicContact CG1-CG1 3.68Å; L1493-I1628 HydrophobicContact CB-CD1 4.18Å; L1493-I1628 HydrophobicContact CD2-CD1 3.85Å; N1577-I1628 HydrophobicContact CB-CG2 3.77Å; N1577-I1628 WeakPolarHBondContact OD1-CG2 3.5Å; I1581-I1628 HydrophobicContact CD1-CD1 4.18Å; I1581-I1628 HydrophobicContact CD1-CG1 4.48Å; L1626-I1628 VanDerWaalsContact C-N 3.3Å; L1626-I1628 PolarHBondContact O-N 2.8Å; I1628-F1632 WeakPolarHBondContact O-CB 3.29Å; I1628-F1632 PolarHBondContact O-N 2.72Å |
| 1629 | V | 92.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.5 | -37.7 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | V1584 L1626 T1627 F1632 K1633 | V1584-V1629 HydrophobicContact CG2-CG1 4.32Å; L1626-V1629 HydrophobicContact CB-CG2 4.13Å; L1626-V1629 WeakPolarHBondContact O-CA 3.31Å; L1626-V1629 WeakPolarHBondContact O-CB 3.35Å; L1626-V1629 PolarHBondContact O-N 3.32Å; T1627-V1629 VanDerWaalsContact C-N 3.35Å; V1629-F1632 WeakPolarHBondContact O-CB 3.22Å; V1629-F1632 PolarHBondContact O-N 3.12Å; V1629-K1633 WeakPolarHBondContact O-CB 3.43Å; V1629-K1633 WeakPolarHBondContact O-CG 3.49Å; V1629-K1633 PolarHBondContact O-N 3.5Å |
| 1630 | E | 93.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.4 | -33.5 | 173.5 | -71.9 | -60.7 | 151.5 | 0 | 0 | 112.8 | H1621 E1622 N1625 L1626 T1627 K1633 S1634 | H1621-E1630 WeakPolarHBondContact CA-OE2 3.36Å; H1621-E1630 WeakPolarHBondContact CB-OE2 3.4Å; H1621-E1630 IonicContact CD2-OE2 2.76Å; H1621-E1630 PolarHBondContact CD2-OE2 3.4Å; H1621-E1630 VanDerWaalsContact CD2-OE2 3.29Å; H1621-E1630 IonicContact CG-OE2 2.71Å; E1622-E1630 PolarHBondContact N-OE1 3.28Å; N1625-E1630 HydrophobicContact CB-CG 3.79Å; N1625-E1630 WeakPolarHBondContact CB-OE1 3.43Å; N1625-E1630 PolarHBondContact ND2-OE1 3.15Å; L1626-E1630 PolarHBondContact O-N 3.03Å; L1626-E1630 VanDerWaalsContact O-N 3.08Å; T1627-E1630 PolarHBondContact O-N 2.88Å; E1630-K1633 WeakPolarHBondContact OE1-CD 3.42Å; E1630-K1633 IonicContact OE1-NZ 2.78Å; E1630-K1633 PolarHBondContact OE1-NZ 2.84Å; E1630-S1634 WeakPolarHBondContact O-CB 3.45Å; E1630-S1634 PolarHBondContact O-N 3.45Å; E1630-S1634 PolarHBondContact O-OG 2.94Å |
| 1631 | E | 93.1 | Very high | 90.3 | Very high | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 167.2 | -171.4 | -174.2 | -179.6 | 0 | 0 | 110.9 | T1487 I1489 T1627 S1634 T1635 | T1487-E1631 WeakPolarHBondContact CB-OE1 3.26Å; T1487-E1631 HydrophobicContact CG2-CG 4.21Å; I1489-E1631 WeakPolarHBondContact CB-OE2 3.3Å; I1489-E1631 VanDerWaalsContact CD1-OE2 3.25Å; I1489-E1631 WeakPolarHBondContact CD1-OE2 3.5Å; I1489-E1631 VanDerWaalsContact CG1-OE2 3.22Å; I1489-E1631 WeakPolarHBondContact CG1-OE2 3.26Å; T1627-E1631 PolarHBondContact O-N 2.7Å; E1631-S1634 PolarHBondContact O-OG 2.69Å; E1631-T1635 VanDerWaalsContact O-CB 3.24Å; E1631-T1635 WeakPolarHBondContact O-CB 3.47Å; E1631-T1635 PolarHBondContact O-N 2.82Å; E1631-T1635 PolarHBondContact O-OG1 2.81Å |
| 1632 | F | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -54.9 | 177.3 | -164.7 | -143.2 | 0 | 0 | 0 | 111.5 | L1481 L1485 I1490 I1581 V1584 F1585 I1628 V1629 S1634 T1635 I1636 | L1481-F1632 HydrophobicContact CD2-CE1 3.94Å; L1481-F1632 HydrophobicContact CD2-CE2 3.97Å; L1481-F1632 HydrophobicContact CD2-CZ 3.34Å; L1485-F1632 HydrophobicContact CD2-CE2 4Å; L1485-F1632 HydrophobicContact CD2-CZ 4.07Å; L1485-F1632 HydrophobicContact CG-CE2 4.23Å; L1485-F1632 HydrophobicContact CG-CZ 4.47Å; I1490-F1632 HydrophobicContact CD1-CB 3.55Å; I1490-F1632 HydrophobicContact CD1-CD2 3.27Å; I1490-F1632 HydrophobicContact CD1-CE2 4.05Å; I1490-F1632 HydrophobicContact CD1-CG 3.56Å; I1581-F1632 HydrophobicContact CB-CD1 4.5Å; I1581-F1632 HydrophobicContact CG1-CD1 4.25Å; I1581-F1632 HydrophobicContact CG2-CD1 4.18Å; I1581-F1632 HydrophobicContact CG2-CE1 3.78Å; I1581-F1632 HydrophobicContact CG2-CZ 4.34Å; V1584-F1632 HydrophobicContact CB-CD1 3.84Å; V1584-F1632 HydrophobicContact CB-CE1 3.84Å; V1584-F1632 HydrophobicContact CG1-CD1 3.64Å; V1584-F1632 HydrophobicContact CG1-CE1 3.58Å; V1584-F1632 HydrophobicContact CG2-CD1 4.19Å; F1585-F1632 HydrophobicContact CD2-CE1 4.41Å; F1585-F1632 HydrophobicContact CE2-CE1 4.11Å; F1585-F1632 AromaticContact CE2-CZ 3.88Å; F1585-F1632 HydrophobicContact CE2-CZ 3.88Å; F1585-F1632 AromaticContact CZ-CZ 3.9Å; F1585-F1632 HydrophobicContact CZ-CZ 3.9Å; I1628-F1632 WeakPolarHBondContact O-CB 3.29Å; I1628-F1632 PolarHBondContact O-N 2.72Å; V1629-F1632 WeakPolarHBondContact O-CB 3.22Å; V1629-F1632 PolarHBondContact O-N 3.12Å; F1632-S1634 PolarHBondContact O-N 3.33Å; F1632-T1635 PolarHBondContact O-N 3.19Å; F1632-I1636 HydrophobicContact CD1-CD1 4.08Å; F1632-I1636 HydrophobicContact CD2-CD1 3.9Å; F1632-I1636 HydrophobicContact CD2-CG1 4.44Å; F1632-I1636 HydrophobicContact CE1-CD1 4.1Å; F1632-I1636 HydrophobicContact CE2-CD1 3.94Å; F1632-I1636 HydrophobicContact CG-CD1 3.99Å; F1632-I1636 HydrophobicContact CZ-CD1 4.05Å; F1632-I1636 VanDerWaalsContact O-CD1 3.31Å; F1632-I1636 WeakPolarHBondContact O-CD1 3.22Å; F1632-I1636 WeakPolarHBondContact O-CG1 3.41Å; F1632-I1636 PolarHBondContact O-N 2.87Å |
| 1633 | K | 95.6 | Very high | 91.1 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.7 | -52.7 | 177 | -80 | 177.5 | 165.7 | -169.7 | 0 | 111.7 | V1584 L1619 A1620 E1622 N1625 V1629 E1630 T1635 I1636 V1637 | V1584-K1633 HydrophobicContact CG2-CG 3.96Å; L1619-K1633 HydrophobicContact CB-CG 4.43Å; L1619-K1633 HydrophobicContact CD2-CG 4.3Å; A1620-K1633 PolarHBondContact O-NZ 3.12Å; E1622-K1633 IonicContact OE2-NZ 2.68Å; E1622-K1633 PolarHBondContact OE2-NZ 3.36Å; N1625-K1633 PolarHBondContact ND2-NZ 3.43Å; V1629-K1633 WeakPolarHBondContact O-CB 3.43Å; V1629-K1633 WeakPolarHBondContact O-CG 3.49Å; V1629-K1633 PolarHBondContact O-N 3.5Å; E1630-K1633 WeakPolarHBondContact OE1-CD 3.42Å; E1630-K1633 IonicContact OE1-NZ 2.78Å; E1630-K1633 PolarHBondContact OE1-NZ 2.84Å; K1633-T1635 VanDerWaalsContact C-N 3.34Å; K1633-T1635 PolarHBondContact O-N 3.23Å; K1633-I1636 PolarHBondContact O-N 3.03Å; K1633-V1637 WeakPolarHBondContact O-CB 3.25Å; K1633-V1637 WeakPolarHBondContact O-CG2 3.33Å; K1633-V1637 PolarHBondContact O-N 3.12Å |
| 1634 | S | 95.1 | Very high | 92 | Very high | 66 Ų | 66 | 41 Ų | 41 | 46% | 0.462 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.2 | -34.5 | -176.3 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | E1630 E1631 F1632 S1638 | E1630-S1634 WeakPolarHBondContact O-CB 3.45Å; E1630-S1634 PolarHBondContact O-N 3.45Å; E1630-S1634 PolarHBondContact O-OG 2.94Å; E1631-S1634 PolarHBondContact O-OG 2.69Å; F1632-S1634 PolarHBondContact O-N 3.33Å; S1634-S1638 WeakPolarHBondContact O-CB 3.44Å; S1634-S1638 PolarHBondContact O-N 2.9Å |
| 1635 | T | 96 | Very high | 92.7 | Very high | 34 Ų | 34 | 39.1 Ų | 39.1 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 173.3 | -59 | 0 | 0 | 0 | 0 | 111.6 | V1483 T1487 E1631 F1632 K1633 S1638 Y1639 | V1483-T1635 HydrophobicContact CG1-CG2 3.75Å; T1487-T1635 HydrophobicContact CG2-CG2 3.99Å; E1631-T1635 VanDerWaalsContact O-CB 3.24Å; E1631-T1635 WeakPolarHBondContact O-CB 3.47Å; E1631-T1635 PolarHBondContact O-N 2.82Å; E1631-T1635 PolarHBondContact O-OG1 2.81Å; F1632-T1635 PolarHBondContact O-N 3.19Å; K1633-T1635 VanDerWaalsContact C-N 3.34Å; K1633-T1635 PolarHBondContact O-N 3.23Å; T1635-S1638 PolarHBondContact O-N 2.95Å; T1635-Y1639 PolarHBondContact O-N 2.87Å |
| 1636 | I | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 176.3 | -65.3 | 159 | 0 | 0 | 0 | 110.6 | A1480 L1481 V1584 I1588 L1619 F1632 K1633 Y1639 L1640 | A1480-I1636 HydrophobicContact CB-CB 4.49Å; A1480-I1636 HydrophobicContact CB-CG2 3.89Å; L1481-I1636 HydrophobicContact CD2-CD1 3.52Å; L1481-I1636 HydrophobicContact CD2-CG1 4.2Å; L1481-I1636 HydrophobicContact CG-CD1 4.21Å; L1481-I1636 HydrophobicContact CG-CG1 4.47Å; V1584-I1636 HydrophobicContact CG1-CD1 3.62Å; I1588-I1636 HydrophobicContact CD1-CD1 4.45Å; I1588-I1636 HydrophobicContact CD1-CG2 4.1Å; L1619-I1636 HydrophobicContact CD1-CB 4.5Å; L1619-I1636 HydrophobicContact CD1-CG2 3.72Å; F1632-I1636 HydrophobicContact CD1-CD1 4.08Å; F1632-I1636 HydrophobicContact CD2-CD1 3.9Å; F1632-I1636 HydrophobicContact CD2-CG1 4.44Å; F1632-I1636 HydrophobicContact CE1-CD1 4.1Å; F1632-I1636 HydrophobicContact CE2-CD1 3.94Å; F1632-I1636 HydrophobicContact CG-CD1 3.99Å; F1632-I1636 HydrophobicContact CZ-CD1 4.05Å; F1632-I1636 VanDerWaalsContact O-CD1 3.31Å; F1632-I1636 WeakPolarHBondContact O-CD1 3.22Å; F1632-I1636 WeakPolarHBondContact O-CG1 3.41Å; F1632-I1636 PolarHBondContact O-N 2.87Å; K1633-I1636 PolarHBondContact O-N 3.03Å; I1636-Y1639 PolarHBondContact O-N 2.82Å; I1636-L1640 HydrophobicContact CG2-CD1 4Å; I1636-L1640 WeakPolarHBondContact O-CG 3.29Å; I1636-L1640 PolarHBondContact O-N 2.82Å |
| 1637 | V | 96.6 | Very high | 93.4 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | -179.9 | 170 | 0 | 0 | 0 | 0 | 111.5 | C1615 L1619 K1633 L1640 M1641 | C1615-V1637 HydrophobicContact CB-CG1 4.01Å; C1615-V1637 HydrophobicContact CB-CG2 4.1Å; L1619-V1637 HydrophobicContact CB-CG2 3.56Å; L1619-V1637 HydrophobicContact CD1-CG2 4.09Å; L1619-V1637 HydrophobicContact CG-CG2 4.5Å; K1633-V1637 WeakPolarHBondContact O-CB 3.25Å; K1633-V1637 WeakPolarHBondContact O-CG2 3.33Å; K1633-V1637 PolarHBondContact O-N 3.12Å; V1637-L1640 PolarHBondContact O-N 2.98Å; V1637-M1641 HydrophobicContact CG1-CG 4.29Å; V1637-M1641 WeakPolarHBondContact O-CB 3.38Å; V1637-M1641 VanDerWaalsContact O-CG 3.25Å; V1637-M1641 WeakPolarHBondContact O-CG 3.3Å; V1637-M1641 PolarHBondContact O-N 3.22Å |
| 1638 | S | 95.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 39.1 Ų | 39.1 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -48.3 | 175 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | S1634 T1635 L1640 M1641 N1642 | S1634-S1638 WeakPolarHBondContact O-CB 3.44Å; S1634-S1638 PolarHBondContact O-N 2.9Å; T1635-S1638 PolarHBondContact O-N 2.95Å; S1638-L1640 PolarHBondContact O-N 2.94Å; S1638-M1641 PolarHBondContact O-N 2.87Å; S1638-N1642 VanDerWaalsContact O-CG 3.25Å; S1638-N1642 PolarHBondContact O-N 3.47Å; S1638-N1642 PolarHBondContact O-ND2 3.45Å |
| 1639 | Y | 96 | Very high | 93.4 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 23% | 0.227 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 176 | -170 | -86.5 | 0 | 0 | 0 | 111.7 | K1479 A1480 V1483 T1635 I1636 M1641 N1642 S1643 | K1479-Y1639 HydrophobicContact CB-CE1 3.58Å; K1479-Y1639 HydrophobicContact CD-CE1 4.38Å; K1479-Y1639 WeakPolarHBondContact CD-OH 3.26Å; A1480-Y1639 HydrophobicContact CB-CD1 3.62Å; A1480-Y1639 HydrophobicContact CB-CE1 4.5Å; A1480-Y1639 HydrophobicContact CB-CG 4.09Å; V1483-Y1639 HydrophobicContact CG1-CD2 3.89Å; V1483-Y1639 HydrophobicContact CG1-CG 4.37Å; V1483-Y1639 HydrophobicContact CG2-CD2 3.78Å; V1483-Y1639 HydrophobicContact CG2-CE2 3.79Å; T1635-Y1639 PolarHBondContact O-N 2.87Å; I1636-Y1639 PolarHBondContact O-N 2.82Å; Y1639-M1641 VanDerWaalsContact C-N 3.3Å; Y1639-M1641 PolarHBondContact O-N 2.86Å; Y1639-N1642 PolarHBondContact O-N 3.22Å; Y1639-S1643 WeakPolarHBondContact CE1-OG 3.41Å; Y1639-S1643 PolarHBondContact O-N 3.26Å; Y1639-S1643 PolarHBondContact O-OG 2.84Å |
| 1640 | L | 95.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -33.4 | -179.9 | -68.7 | 172.3 | 0 | 0 | 0 | 113.2 | E1476 L1477 A1480 L1611 L1614 I1636 V1637 S1638 N1642 F1644 | E1476-L1640 HydrophobicContact CB-CD2 4.18Å; L1477-L1640 HydrophobicContact CD2-CD1 4.05Å; L1477-L1640 HydrophobicContact CD2-CD2 4.23Å; A1480-L1640 HydrophobicContact CB-CD1 4.4Å; A1480-L1640 HydrophobicContact CB-CD2 3.95Å; A1480-L1640 HydrophobicContact CB-CG 3.8Å; L1611-L1640 HydrophobicContact CD2-CB 4.38Å; L1611-L1640 HydrophobicContact CD2-CD2 4.39Å; L1614-L1640 HydrophobicContact CD2-CD1 4.1Å; I1636-L1640 HydrophobicContact CG2-CD1 4Å; I1636-L1640 WeakPolarHBondContact O-CG 3.29Å; I1636-L1640 PolarHBondContact O-N 2.82Å; V1637-L1640 PolarHBondContact O-N 2.98Å; S1638-L1640 PolarHBondContact O-N 2.94Å; L1640-N1642 VanDerWaalsContact C-N 3.34Å; L1640-F1644 WeakPolarHBondContact O-CB 3.27Å; L1640-F1644 WeakPolarHBondContact O-CD2 3.2Å; L1640-F1644 PolarHBondContact O-N 2.83Å |
| 1641 | M | 93.7 | Very high | 93.4 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 20% | 0.202 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.8 | -21.8 | 175.9 | -70.1 | -67.6 | 160.9 | 0 | 0 | 113.2 | C1615 V1637 S1638 Y1639 F1644 P1645 N1646 | C1615-M1641 HydrophobicContact CB-CE 3.43Å; C1615-M1641 VanDerWaalsContact CB-CE 3.43Å; V1637-M1641 HydrophobicContact CG1-CG 4.29Å; V1637-M1641 WeakPolarHBondContact O-CB 3.38Å; V1637-M1641 VanDerWaalsContact O-CG 3.25Å; V1637-M1641 WeakPolarHBondContact O-CG 3.3Å; V1637-M1641 PolarHBondContact O-N 3.22Å; S1638-M1641 PolarHBondContact O-N 2.87Å; Y1639-M1641 VanDerWaalsContact C-N 3.3Å; Y1639-M1641 PolarHBondContact O-N 2.86Å; M1641-F1644 CarbonylContact O-C 3.59Å; M1641-P1645 WeakPolarHBondContact O-CA 3.42Å; M1641-N1646 PolarHBondContact SD-ND2 3.34Å; M1641-N1646 VanDerWaalsContact SD-ND2 3.42Å |
| 1642 | N | 94.1 | Very high | 93.4 | Very high | 119 Ų | 119 | 43.9 Ų | 43.9 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -80.8 | -43.8 | 171.5 | -66.3 | -27.9 | 0 | 0 | 0 | 111.4 | S1638 Y1639 L1640 F1644 | S1638-N1642 VanDerWaalsContact O-CG 3.25Å; S1638-N1642 PolarHBondContact O-N 3.47Å; S1638-N1642 PolarHBondContact O-ND2 3.45Å; Y1639-N1642 PolarHBondContact O-N 3.22Å; L1640-N1642 VanDerWaalsContact C-N 3.34Å; N1642-F1644 VanDerWaalsContact C-N 3.32Å; N1642-F1644 PolarHBondContact O-N 3.46Å |
| 1643 | S | 93.3 | Very high | 93.4 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 174 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | P1471 E1476 Y1639 P1645 | P1471-S1643 WeakPolarHBondContact CG-O 3.45Å; E1476-S1643 VanDerWaalsContact OE2-CB 3.32Å; E1476-S1643 WeakPolarHBondContact OE2-CB 3.37Å; E1476-S1643 PolarHBondContact OE2-OG 2.69Å; Y1639-S1643 WeakPolarHBondContact CE1-OG 3.41Å; Y1639-S1643 PolarHBondContact O-N 3.26Å; Y1639-S1643 PolarHBondContact O-OG 2.84Å; S1643-P1645 VanDerWaalsContact C-CD 3.48Å; S1643-P1645 VanDerWaalsContact O-CD 3.28Å; S1643-P1645 WeakPolarHBondContact O-CD 3.41Å |
| 1644 | F | 95.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -117.7 | 72.4 | 177.9 | -61.2 | -79.1 | 0 | 0 | 0 | 111.3 | P1471 L1473 E1476 I1607 L1611 L1640 M1641 N1642 L1654 | P1471-F1644 HydrophobicContact CB-CE1 3.82Å; P1471-F1644 HydrophobicContact CB-CE2 4.41Å; P1471-F1644 HydrophobicContact CB-CZ 3.71Å; P1471-F1644 HydrophobicContact CG-CD1 3.97Å; P1471-F1644 HydrophobicContact CG-CE1 3.62Å; P1471-F1644 HydrophobicContact CG-CZ 3.97Å; L1473-F1644 HydrophobicContact CD1-CE2 4.04Å; L1473-F1644 HydrophobicContact CD1-CZ 4.17Å; E1476-F1644 HydrophobicContact CB-CE2 3.8Å; E1476-F1644 HydrophobicContact CB-CZ 4.35Å; E1476-F1644 HydrophobicContact CG-CE2 3.89Å; E1476-F1644 HydrophobicContact CG-CZ 4.08Å; I1607-F1644 HydrophobicContact CG2-CD1 4.09Å; I1607-F1644 HydrophobicContact CG2-CE1 3.77Å; I1607-F1644 HydrophobicContact CG2-CZ 4.23Å; L1611-F1644 HydrophobicContact CD1-CB 3.68Å; L1611-F1644 HydrophobicContact CD1-CD1 3.96Å; L1611-F1644 HydrophobicContact CD1-CD2 3.51Å; L1611-F1644 HydrophobicContact CD1-CE1 4.47Å; L1611-F1644 HydrophobicContact CD1-CE2 4.07Å; L1611-F1644 HydrophobicContact CD1-CG 3.44Å; L1611-F1644 VanDerWaalsContact CD1-CG 3.44Å; L1611-F1644 HydrophobicContact CD2-CD2 4.02Å; L1611-F1644 HydrophobicContact CD2-CE2 4.3Å; L1611-F1644 HydrophobicContact CG-CD2 4.41Å; L1640-F1644 WeakPolarHBondContact O-CB 3.27Å; L1640-F1644 WeakPolarHBondContact O-CD2 3.2Å; L1640-F1644 PolarHBondContact O-N 2.83Å; M1641-F1644 CarbonylContact O-C 3.59Å; N1642-F1644 VanDerWaalsContact C-N 3.32Å; N1642-F1644 PolarHBondContact O-N 3.46Å; F1644-L1654 HydrophobicContact CD1-CD1 3.89Å; F1644-L1654 HydrophobicContact CE1-CD1 4.42Å |
| 1645 | P | 90.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 29% | 0.286 | 24% | 0.243 | S | C | . | . | trans | -59 | 154.4 | -171.5 | 24.4 | -34.8 | 0 | 0 | 0 | 112.8 | M1641 S1643 N1647 Y1651 | M1641-P1645 WeakPolarHBondContact O-CA 3.42Å; S1643-P1645 VanDerWaalsContact C-CD 3.48Å; S1643-P1645 VanDerWaalsContact O-CD 3.28Å; S1643-P1645 WeakPolarHBondContact O-CD 3.41Å; P1645-N1647 PolarHBondContact O-N 3.2Å; P1645-Y1651 WeakPolarHBondContact O-CB 3.48Å | ||
| 1646 | N | 87.4 | Confident | 93.3 | Very high | 84 Ų | 84 | 39.9 Ų | 39.9 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -87 | 19.2 | -179.5 | -74.3 | -63.5 | 0 | 0 | 0 | 114 | K1608 M1641 Y1651 | K1608-N1646 PolarHBondContact NZ-OD1 3.18Å; K1608-N1646 VanDerWaalsContact NZ-OD1 3.1Å; M1641-N1646 PolarHBondContact SD-ND2 3.34Å; M1641-N1646 VanDerWaalsContact SD-ND2 3.42Å; N1646-Y1651 VanDerWaalsContact CA-CD2 3.46Å; N1646-Y1651 HydrophobicContact CB-CD2 4.4Å; N1646-Y1651 HydrophobicContact CB-CE2 4.31Å; N1646-Y1651 WeakPolarHBondContact O-CD2 3.33Å; N1646-Y1651 VanDerWaalsContact O-CE2 3.23Å; N1646-Y1651 WeakPolarHBondContact O-CE2 3.25Å |
| 1647 | N | 88.7 | Confident | 93.4 | Very high | 113 Ų | 113 | 40 Ų | 40 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -152.3 | 173.8 | 177.1 | 60.8 | -4.8 | 0 | 0 | 0 | 111.3 | P1645 Y1651 | P1645-N1647 PolarHBondContact O-N 3.2Å; N1647-Y1651 VanDerWaalsContact C-CB 3.48Å; N1647-Y1651 VanDerWaalsContact O-CB 3.22Å; N1647-Y1651 WeakPolarHBondContact O-CB 3.45Å |
| 1648 | G | 89.7 | Confident | 93.4 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 46% | 0.464 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | 80 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1650 Y1651 E1652 | G1648-V1650 PolarHBondContact O-N 2.76Å; G1648-Y1651 WeakPolarHBondContact O-CB 3.41Å; G1648-Y1651 PolarHBondContact O-N 3.48Å; G1648-E1652 PolarHBondContact O-N 3.24Å; G1648-E1652 VanDerWaalsContact O-N 3.11Å |
| 1649 | A | 89.8 | Confident | 93.4 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 51% | 0.512 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.3 | -37.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1468 T1653 | I1468-A1649 HydrophobicContact CD1-CB 3.84Å; I1468-A1649 WeakPolarHBondContact CD1-O 3.18Å; A1649-T1653 WeakPolarHBondContact O-CB 3.2Å; A1649-T1653 PolarHBondContact O-N 2.85Å; A1649-T1653 PolarHBondContact O-OG1 2.99Å |
| 1650 | V | 93.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177.2 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | I1468 I1469 L1470 G1648 E1652 T1653 L1654 | I1468-V1650 HydrophobicContact CG1-CG2 4.49Å; I1469-V1650 WeakPolarHBondContact O-CG2 3.38Å; L1470-V1650 HydrophobicContact CD2-CG1 4.37Å; L1470-V1650 HydrophobicContact CG-CG1 4.48Å; G1648-V1650 PolarHBondContact O-N 2.76Å; V1650-E1652 PolarHBondContact O-N 3.23Å; V1650-T1653 PolarHBondContact O-N 3.14Å; V1650-L1654 HydrophobicContact CG1-CD1 4.06Å; V1650-L1654 HydrophobicContact CG1-CG 4.39Å; V1650-L1654 WeakPolarHBondContact O-CG 3.38Å; V1650-L1654 PolarHBondContact O-N 2.66Å |
| 1651 | Y | 93.5 | Very high | 93.4 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.3 | -51.7 | 175.6 | 170.1 | -93.8 | 0 | 0 | 0 | 112.2 | P1645 N1646 N1647 G1648 T1653 L1654 W1655 K1672 | P1645-Y1651 WeakPolarHBondContact O-CB 3.48Å; N1646-Y1651 VanDerWaalsContact CA-CD2 3.46Å; N1646-Y1651 HydrophobicContact CB-CD2 4.4Å; N1646-Y1651 HydrophobicContact CB-CE2 4.31Å; N1646-Y1651 WeakPolarHBondContact O-CD2 3.33Å; N1646-Y1651 VanDerWaalsContact O-CE2 3.23Å; N1646-Y1651 WeakPolarHBondContact O-CE2 3.25Å; N1647-Y1651 VanDerWaalsContact C-CB 3.48Å; N1647-Y1651 VanDerWaalsContact O-CB 3.22Å; N1647-Y1651 WeakPolarHBondContact O-CB 3.45Å; G1648-Y1651 WeakPolarHBondContact O-CB 3.41Å; G1648-Y1651 PolarHBondContact O-N 3.48Å; Y1651-T1653 VanDerWaalsContact C-N 3.3Å; Y1651-T1653 PolarHBondContact O-N 3.02Å; Y1651-L1654 PolarHBondContact O-N 2.96Å; Y1651-W1655 AromaticContact CD2-CD1 3.47Å; Y1651-W1655 VanDerWaalsContact CD2-CD1 3.47Å; Y1651-W1655 AromaticContact CD2-NE1 3.43Å; Y1651-W1655 AromaticContact CE1-CD1 3.82Å; Y1651-W1655 AromaticContact CE2-CD1 3.32Å; Y1651-W1655 AromaticContact CE2-NE1 2.99Å; Y1651-W1655 AromaticContact CG-CD1 3.85Å; Y1651-W1655 AromaticContact CZ-CD1 3.48Å; Y1651-W1655 VanDerWaalsContact CZ-CD1 3.48Å; Y1651-W1655 AromaticContact CZ-NE1 3.46Å; Y1651-W1655 WeakPolarHBondContact O-CB 3.36Å; Y1651-W1655 VanDerWaalsContact O-CD1 3.22Å; Y1651-W1655 PolarHBondContact O-N 2.82Å; Y1651-K1672 PolarHBondContact OH-NZ 2.81Å |
| 1652 | E | 92.6 | Very high | 93.5 | Very high | 72 Ų | 72 | 30.7 Ų | 30.7 | 34% | 0.336 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 179.9 | -66.9 | -168.4 | 178.7 | 0 | 0 | 111.7 | G1648 V1650 W1655 I1656 L1678 | G1648-E1652 PolarHBondContact O-N 3.24Å; G1648-E1652 VanDerWaalsContact O-N 3.11Å; V1650-E1652 PolarHBondContact O-N 3.23Å; E1652-W1655 PolarHBondContact O-N 3.38Å; E1652-I1656 WeakPolarHBondContact O-CB 3.25Å; E1652-I1656 WeakPolarHBondContact O-CD1 3.43Å; E1652-I1656 WeakPolarHBondContact O-CG1 3.44Å; E1652-I1656 PolarHBondContact O-N 3.42Å; E1652-L1678 HydrophobicContact CB-CD1 4.43Å; E1652-L1678 HydrophobicContact CG-CD1 3.83Å |
| 1653 | T | 94 | Very high | 93.5 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -48.7 | -179.9 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | I1468 L1470 A1649 V1650 Y1651 I1656 A1657 Y1782 I1785 | I1468-T1653 HydrophobicContact CD1-CG2 4.15Å; I1468-T1653 VanDerWaalsContact CD1-OG1 3.24Å; I1468-T1653 WeakPolarHBondContact CD1-OG1 3.23Å; L1470-T1653 HydrophobicContact CD2-CG2 4.11Å; A1649-T1653 WeakPolarHBondContact O-CB 3.2Å; A1649-T1653 PolarHBondContact O-N 2.85Å; A1649-T1653 PolarHBondContact O-OG1 2.99Å; V1650-T1653 PolarHBondContact O-N 3.14Å; Y1651-T1653 VanDerWaalsContact C-N 3.3Å; Y1651-T1653 PolarHBondContact O-N 3.02Å; T1653-I1656 PolarHBondContact O-N 3.3Å; T1653-A1657 WeakPolarHBondContact O-CB 3.49Å; T1653-A1657 PolarHBondContact O-N 2.8Å; T1653-Y1782 HydrophobicContact CG2-CD1 4.34Å; T1653-Y1782 HydrophobicContact CG2-CE1 3.77Å; T1653-Y1782 WeakPolarHBondContact O-CE1 3.12Å; T1653-I1785 HydrophobicContact CG2-CD1 3.76Å |
| 1654 | L | 95.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -41.8 | 178.1 | -66.2 | -179.1 | 0 | 0 | 0 | 112.4 | L1470 I1607 K1608 F1644 V1650 Y1651 S1658 | L1470-L1654 HydrophobicContact CD2-CD2 3.58Å; L1470-L1654 HydrophobicContact CD2-CG 4.08Å; I1607-L1654 HydrophobicContact CB-CD1 4.39Å; I1607-L1654 HydrophobicContact CB-CD2 3.99Å; I1607-L1654 HydrophobicContact CD1-CD2 3.74Å; I1607-L1654 HydrophobicContact CG1-CD2 4.39Å; I1607-L1654 HydrophobicContact CG2-CD1 3.78Å; I1607-L1654 HydrophobicContact CG2-CD2 4.22Å; K1608-L1654 HydrophobicContact CB-CB 4.36Å; F1644-L1654 HydrophobicContact CD1-CD1 3.89Å; F1644-L1654 HydrophobicContact CE1-CD1 4.42Å; V1650-L1654 HydrophobicContact CG1-CD1 4.06Å; V1650-L1654 HydrophobicContact CG1-CG 4.39Å; V1650-L1654 WeakPolarHBondContact O-CG 3.38Å; V1650-L1654 PolarHBondContact O-N 2.66Å; Y1651-L1654 PolarHBondContact O-N 2.96Å; L1654-S1658 WeakPolarHBondContact O-CB 3.38Å; L1654-S1658 PolarHBondContact O-N 2.97Å; L1654-S1658 PolarHBondContact O-OG 3.31Å |
| 1655 | W | 95.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 25 Ų | 25 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | 178.2 | -83.5 | 113.1 | 0 | 0 | 0 | 113.2 | K1608 Y1651 E1652 S1658 L1659 V1668 K1672 V1675 | K1608-W1655 HydrophobicContact CD-CZ2 4.21Å; K1608-W1655 HydrophobicContact CG-CD2 4.02Å; K1608-W1655 HydrophobicContact CG-CE3 4.34Å; K1608-W1655 HydrophobicContact CG-CH2 4.02Å; K1608-W1655 HydrophobicContact CG-CZ2 3.65Å; K1608-W1655 HydrophobicContact CG-CZ3 4.35Å; Y1651-W1655 AromaticContact CD2-CD1 3.47Å; Y1651-W1655 VanDerWaalsContact CD2-CD1 3.47Å; Y1651-W1655 AromaticContact CD2-NE1 3.43Å; Y1651-W1655 AromaticContact CE1-CD1 3.82Å; Y1651-W1655 AromaticContact CE2-CD1 3.32Å; Y1651-W1655 AromaticContact CE2-NE1 2.99Å; Y1651-W1655 AromaticContact CG-CD1 3.85Å; Y1651-W1655 AromaticContact CZ-CD1 3.48Å; Y1651-W1655 VanDerWaalsContact CZ-CD1 3.48Å; Y1651-W1655 AromaticContact CZ-NE1 3.46Å; Y1651-W1655 WeakPolarHBondContact O-CB 3.36Å; Y1651-W1655 VanDerWaalsContact O-CD1 3.22Å; Y1651-W1655 PolarHBondContact O-N 2.82Å; E1652-W1655 PolarHBondContact O-N 3.38Å; W1655-S1658 PolarHBondContact O-N 3.47Å; W1655-L1659 WeakPolarHBondContact O-CB 3.43Å; W1655-L1659 PolarHBondContact O-N 2.72Å; W1655-V1668 HydrophobicContact CE3-CB 4.46Å; W1655-V1668 HydrophobicContact CE3-CG1 3.65Å; W1655-V1668 HydrophobicContact CE3-CG2 4.17Å; W1655-V1668 HydrophobicContact CZ3-CB 4.42Å; W1655-V1668 HydrophobicContact CZ3-CG1 4Å; W1655-V1668 HydrophobicContact CZ3-CG2 4.08Å; W1655-K1672 HydrophobicContact CD2-CB 4.48Å; W1655-K1672 HydrophobicContact CD2-CG 4.07Å; W1655-K1672 HydrophobicContact CE3-CB 4.18Å; W1655-K1672 HydrophobicContact CE3-CG 4.01Å; W1655-K1672 HydrophobicContact CH2-CB 4.45Å; W1655-K1672 HydrophobicContact CH2-CG 3.56Å; W1655-K1672 HydrophobicContact CZ2-CD 4.26Å; W1655-K1672 HydrophobicContact CZ2-CG 3.62Å; W1655-K1672 HydrophobicContact CZ3-CB 4.15Å; W1655-K1672 HydrophobicContact CZ3-CG 3.75Å; W1655-V1675 HydrophobicContact CB-CB 4.49Å; W1655-V1675 HydrophobicContact CB-CG1 3.94Å; W1655-V1675 HydrophobicContact CB-CG2 3.66Å; W1655-V1675 HydrophobicContact CD2-CG2 4.37Å; W1655-V1675 HydrophobicContact CG-CG2 4Å |
| 1656 | I | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.6 | -39.3 | 176.5 | -65.1 | 167.2 | 0 | 0 | 0 | 110.3 | E1652 T1653 S1658 L1659 L1660 V1675 L1678 L1679 K1682 Y1782 | E1652-I1656 WeakPolarHBondContact O-CB 3.25Å; E1652-I1656 WeakPolarHBondContact O-CD1 3.43Å; E1652-I1656 WeakPolarHBondContact O-CG1 3.44Å; E1652-I1656 PolarHBondContact O-N 3.42Å; T1653-I1656 PolarHBondContact O-N 3.3Å; I1656-S1658 PolarHBondContact O-N 3.16Å; I1656-L1659 PolarHBondContact O-N 3.45Å; I1656-L1660 HydrophobicContact CG2-CD1 3.77Å; I1656-L1660 HydrophobicContact CG2-CG 4.36Å; I1656-L1660 WeakPolarHBondContact O-CB 3.32Å; I1656-L1660 WeakPolarHBondContact O-CG 3.48Å; I1656-L1660 PolarHBondContact O-N 2.99Å; I1656-V1675 HydrophobicContact CG1-CG1 3.88Å; I1656-L1678 HydrophobicContact CD1-CB 4.05Å; I1656-L1679 HydrophobicContact CG2-CD1 4.22Å; I1656-K1682 HydrophobicContact CD1-CD 4.11Å; I1656-Y1782 HydrophobicContact CB-CE1 4.19Å; I1656-Y1782 HydrophobicContact CB-CE2 4.11Å; I1656-Y1782 HydrophobicContact CG2-CD2 3.82Å; I1656-Y1782 HydrophobicContact CG2-CE1 4.26Å; I1656-Y1782 HydrophobicContact CG2-CE2 3.33Å; I1656-Y1782 HydrophobicContact CG2-CG 4.47Å |
| 1657 | A | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1605 T1653 L1659 L1660 D1661 Y1782 | S1605-A1657 WeakPolarHBondContact CB-O 3.28Å; T1653-A1657 WeakPolarHBondContact O-CB 3.49Å; T1653-A1657 PolarHBondContact O-N 2.8Å; A1657-L1659 VanDerWaalsContact C-N 3.29Å; A1657-L1659 PolarHBondContact O-N 3.27Å; A1657-L1660 PolarHBondContact O-N 2.9Å; A1657-D1661 PolarHBondContact O-N 2.98Å; A1657-Y1782 HydrophobicContact CB-CD1 3.79Å; A1657-Y1782 HydrophobicContact CB-CG 4.28Å |
| 1658 | S | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64 | -32.1 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | S1605 P1609 L1654 W1655 I1656 F1664 | S1605-S1658 PolarHBondContact O-OG 3.24Å; S1605-S1658 VanDerWaalsContact O-OG 3.05Å; P1609-S1658 WeakPolarHBondContact CD-OG 3.35Å; L1654-S1658 WeakPolarHBondContact O-CB 3.38Å; L1654-S1658 PolarHBondContact O-N 2.97Å; L1654-S1658 PolarHBondContact O-OG 3.31Å; W1655-S1658 PolarHBondContact O-N 3.47Å; I1656-S1658 PolarHBondContact O-N 3.16Å; S1658-F1664 WeakPolarHBondContact O-CB 3.34Å |
| 1659 | L | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -74.6 | -37.3 | 176.2 | -176.4 | 57.9 | 0 | 0 | 0 | 112 | W1655 I1656 A1657 D1661 K1665 V1668 V1675 I1676 L1679 Y1749 L1750 | W1655-L1659 WeakPolarHBondContact O-CB 3.43Å; W1655-L1659 PolarHBondContact O-N 2.72Å; I1656-L1659 PolarHBondContact O-N 3.45Å; A1657-L1659 VanDerWaalsContact C-N 3.29Å; A1657-L1659 PolarHBondContact O-N 3.27Å; L1659-D1661 VanDerWaalsContact C-N 3.34Å; L1659-K1665 HydrophobicContact CD1-CG 4.33Å; L1659-V1668 HydrophobicContact CB-CB 4.36Å; L1659-V1668 HydrophobicContact CB-CG1 3.83Å; L1659-V1668 HydrophobicContact CD1-CB 4.1Å; L1659-V1668 HydrophobicContact CD1-CG1 4.01Å; L1659-V1668 HydrophobicContact CG-CG1 4.4Å; L1659-V1675 HydrophobicContact CB-CG1 4.21Å; L1659-V1675 HydrophobicContact CD2-CB 4.36Å; L1659-V1675 HydrophobicContact CD2-CG1 3.82Å; L1659-I1676 HydrophobicContact CD2-CG1 3.85Å; L1659-L1679 HydrophobicContact CD2-CB 4.16Å; L1659-L1679 HydrophobicContact CD2-CD2 3.6Å; L1659-L1679 HydrophobicContact CG-CD2 4.06Å; L1659-Y1749 VanDerWaalsContact O-CE1 3.22Å; L1659-Y1749 WeakPolarHBondContact O-CE1 3.4Å; L1659-Y1749 PolarHBondContact O-OH 3.27Å; L1659-L1750 HydrophobicContact CD1-CD2 3.98Å |
| 1660 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -79.5 | -14.4 | 178.1 | -72.7 | 170.4 | 0 | 0 | 0 | 113.3 | I1656 A1657 P1662 L1679 Y1749 W1765 L1775 L1778 A1779 Y1782 | I1656-L1660 HydrophobicContact CG2-CD1 3.77Å; I1656-L1660 HydrophobicContact CG2-CG 4.36Å; I1656-L1660 WeakPolarHBondContact O-CB 3.32Å; I1656-L1660 WeakPolarHBondContact O-CG 3.48Å; I1656-L1660 PolarHBondContact O-N 2.99Å; A1657-L1660 PolarHBondContact O-N 2.9Å; L1660-P1662 WeakPolarHBondContact O-CD 3.4Å; L1660-L1679 HydrophobicContact CD1-CD1 4.11Å; L1660-L1679 HydrophobicContact CD2-CD1 3.94Å; L1660-L1679 HydrophobicContact CD2-CD2 4.15Å; L1660-L1679 HydrophobicContact CG-CD1 4.16Å; L1660-Y1749 VanDerWaalsContact C-OH 3.23Å; L1660-Y1749 WeakPolarHBondContact CA-OH 3.43Å; L1660-Y1749 PolarHBondContact O-OH 3.02Å; L1660-W1765 HydrophobicContact CD2-CH2 4.35Å; L1660-W1765 HydrophobicContact CD2-CZ2 4.08Å; L1660-W1765 VanDerWaalsContact O-CE2 3.3Å; L1660-W1765 WeakPolarHBondContact O-CZ2 3.5Å; L1660-W1765 PolarHBondContact O-NE1 3.26Å; L1660-L1775 HydrophobicContact CD2-CD1 3.99Å; L1660-L1775 HydrophobicContact CD2-CG 3.88Å; L1660-L1778 HydrophobicContact CD1-CB 4.37Å; L1660-L1778 HydrophobicContact CD1-CD2 3.96Å; L1660-L1778 HydrophobicContact CD1-CG 3.77Å; L1660-A1779 HydrophobicContact CB-CB 4.28Å; L1660-A1779 HydrophobicContact CD2-CB 4.43Å; L1660-Y1782 HydrophobicContact CD1-CD2 3.56Å; L1660-Y1782 HydrophobicContact CD1-CE2 4.27Å; L1660-Y1782 HydrophobicContact CD1-CG 4.22Å |
| 1661 | D | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.1 | 116.8 | 168.8 | -165.6 | -38.1 | 0 | 0 | 0 | 110.6 | S1605 A1657 L1659 R1663 F1664 K1665 L1783 | S1605-D1661 WeakPolarHBondContact CB-OD2 3.22Å; S1605-D1661 PolarHBondContact OG-OD2 3.19Å; A1657-D1661 PolarHBondContact O-N 2.98Å; L1659-D1661 VanDerWaalsContact C-N 3.34Å; D1661-R1663 PolarHBondContact O-N 2.73Å; D1661-R1663 VanDerWaalsContact O-N 3.08Å; D1661-R1663 WeakPolarHBondContact OD1-CB 3.32Å; D1661-R1663 VanDerWaalsContact OD1-CG 3.3Å; D1661-R1663 WeakPolarHBondContact OD1-CG 3.41Å; D1661-R1663 IonicContact OD1-CZ 2.85Å; D1661-R1663 PolarHBondContact OD1-N 2.74Å; D1661-R1663 IonicContact OD1-NE 2.86Å; D1661-R1663 PolarHBondContact OD1-NE 2.89Å; D1661-R1663 IonicContact OD1-NH2 2.67Å; D1661-R1663 IonicContact OD2-CZ 2.85Å; D1661-R1663 IonicContact OD2-NE 3.4Å; D1661-R1663 PolarHBondContact OD2-NE 2.66Å; D1661-R1663 IonicContact OD2-NH2 3.13Å; D1661-R1663 PolarHBondContact OD2-NH2 3.38Å; D1661-F1664 HydrophobicContact CB-CD2 3.81Å; D1661-F1664 HydrophobicContact CB-CE2 4.46Å; D1661-F1664 PolarHBondContact O-N 2.87Å; D1661-F1664 VanDerWaalsContact O-N 3.08Å; D1661-F1664 WeakPolarHBondContact OD2-CE2 3.31Å; D1661-K1665 PolarHBondContact O-N 3.13Å; D1661-L1783 HydrophobicContact CB-CD2 4.18Å |
| 1662 | P | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -14 | -177.3 | -17.2 | 31.4 | 0 | 0 | 0 | 113.4 | L1660 Y1749 P1754 I1755 W1764 | L1660-P1662 WeakPolarHBondContact O-CD 3.4Å; P1662-Y1749 HydrophobicContact CG-CE2 4.44Å; P1662-P1754 VanDerWaalsContact O-CA 3.28Å; P1662-P1754 WeakPolarHBondContact O-CA 3.23Å; P1662-P1754 VanDerWaalsContact O-CB 3.31Å; P1662-P1754 WeakPolarHBondContact O-CB 3.45Å; P1662-I1755 HydrophobicContact CB-CD1 3.97Å; P1662-I1755 HydrophobicContact CB-CG1 3.99Å; P1662-I1755 HydrophobicContact CB-CG2 4.26Å; P1662-I1755 HydrophobicContact CG-CD1 4.34Å; P1662-I1755 PolarHBondContact O-N 3.06Å; P1662-I1755 VanDerWaalsContact O-N 3.12Å; P1662-W1764 HydrophobicContact CB-CD2 4.14Å; P1662-W1764 HydrophobicContact CB-CE3 4.26Å; P1662-W1764 HydrophobicContact CG-CB 4.49Å; P1662-W1764 HydrophobicContact CG-CD2 3.73Å; P1662-W1764 HydrophobicContact CG-CE3 3.47Å; P1662-W1764 VanDerWaalsContact CG-CE3 3.47Å; P1662-W1764 HydrophobicContact CG-CG 4.18Å; P1662-W1764 HydrophobicContact CG-CZ3 4.01Å |
| 1663 | R | 93.9 | Very high | 92.8 | Very high | 17 Ų | 17 | 25.6 Ų | 25.6 | 6% | 0.064 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -35.9 | 173.7 | -60.4 | 175.7 | -68.2 | -178.6 | 2.3 | 112.2 | I1601 T1603 D1661 I1755 L1757 | I1601-R1663 PolarHBondContact O-NH1 2.75Å; I1601-R1663 VanDerWaalsContact O-NH1 3.16Å; I1601-R1663 PolarHBondContact O-NH2 3.43Å; T1603-R1663 PolarHBondContact OG1-NH2 3.28Å; D1661-R1663 PolarHBondContact O-N 2.73Å; D1661-R1663 VanDerWaalsContact O-N 3.08Å; D1661-R1663 WeakPolarHBondContact OD1-CB 3.32Å; D1661-R1663 VanDerWaalsContact OD1-CG 3.3Å; D1661-R1663 WeakPolarHBondContact OD1-CG 3.41Å; D1661-R1663 IonicContact OD1-CZ 2.85Å; D1661-R1663 PolarHBondContact OD1-N 2.74Å; D1661-R1663 IonicContact OD1-NE 2.86Å; D1661-R1663 PolarHBondContact OD1-NE 2.89Å; D1661-R1663 IonicContact OD1-NH2 2.67Å; D1661-R1663 IonicContact OD2-CZ 2.85Å; D1661-R1663 IonicContact OD2-NE 3.4Å; D1661-R1663 PolarHBondContact OD2-NE 2.66Å; D1661-R1663 IonicContact OD2-NH2 3.13Å; D1661-R1663 PolarHBondContact OD2-NH2 3.38Å; R1663-I1755 HydrophobicContact CB-CG1 4.49Å; R1663-I1755 HydrophobicContact CG-CD1 3.98Å; R1663-I1755 HydrophobicContact CG-CG1 3.6Å; R1663-L1757 HydrophobicContact CB-CD2 4.42Å; R1663-L1757 VanDerWaalsContact CD-O 3.31Å; R1663-L1757 WeakPolarHBondContact CD-O 3.31Å |
| 1664 | F | 94.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -17.1 | -172 | -49.4 | -59.4 | 0 | 0 | 0 | 114 | M1606 P1609 S1658 D1661 S1666 Q1667 V1668 L1757 | M1606-F1664 HydrophobicContact CB-CE2 4.37Å; M1606-F1664 HydrophobicContact CB-CZ 4.48Å; M1606-F1664 HydrophobicContact CG-CE2 3.71Å; M1606-F1664 HydrophobicContact CG-CZ 3.87Å; P1609-F1664 HydrophobicContact CB-CD1 4Å; P1609-F1664 HydrophobicContact CB-CE1 4.2Å; P1609-F1664 HydrophobicContact CB-CG 4.31Å; P1609-F1664 HydrophobicContact CG-CB 4.02Å; P1609-F1664 HydrophobicContact CG-CD1 3.84Å; P1609-F1664 HydrophobicContact CG-CD2 3.9Å; P1609-F1664 HydrophobicContact CG-CE1 4.32Å; P1609-F1664 HydrophobicContact CG-CE2 4.39Å; P1609-F1664 HydrophobicContact CG-CG 3.62Å; S1658-F1664 WeakPolarHBondContact O-CB 3.34Å; D1661-F1664 HydrophobicContact CB-CD2 3.81Å; D1661-F1664 HydrophobicContact CB-CE2 4.46Å; D1661-F1664 PolarHBondContact O-N 2.87Å; D1661-F1664 VanDerWaalsContact O-N 3.08Å; D1661-F1664 WeakPolarHBondContact OD2-CE2 3.31Å; F1664-S1666 VanDerWaalsContact C-N 3.32Å; F1664-S1666 PolarHBondContact O-N 2.86Å; F1664-Q1667 WeakPolarHBondContact O-CB 3.39Å; F1664-Q1667 PolarHBondContact O-N 3.01Å; F1664-V1668 PolarHBondContact O-N 3.4Å; F1664-V1668 VanDerWaalsContact O-N 3.17Å; F1664-L1757 HydrophobicContact CE1-CD2 3.72Å; F1664-L1757 HydrophobicContact CZ-CD2 4.35Å |
| 1665 | K | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -32.2 | -55.7 | 179.6 | -175.9 | -173.4 | 76.4 | -169 | 0 | 115.2 | L1659 D1661 Q1667 V1668 Q1669 Y1749 L1750 E1752 D1753 | L1659-K1665 HydrophobicContact CD1-CG 4.33Å; D1661-K1665 PolarHBondContact O-N 3.13Å; K1665-Q1667 PolarHBondContact O-N 3.39Å; K1665-V1668 PolarHBondContact O-N 3.22Å; K1665-Q1669 VanDerWaalsContact O-CB 3.28Å; K1665-Q1669 WeakPolarHBondContact O-CB 3.26Å; K1665-Q1669 PolarHBondContact O-N 2.69Å; K1665-Y1749 HydrophobicContact CD-CD1 4.02Å; K1665-Y1749 HydrophobicContact CD-CD2 4.23Å; K1665-Y1749 HydrophobicContact CD-CE1 3.48Å; K1665-Y1749 VanDerWaalsContact CD-CE1 3.48Å; K1665-Y1749 HydrophobicContact CD-CE2 3.71Å; K1665-Y1749 HydrophobicContact CD-CG 4.36Å; K1665-Y1749 WeakPolarHBondContact CD-OH 3.39Å; K1665-Y1749 HydrophobicContact CG-CE1 3.78Å; K1665-Y1749 PolarHBondContact NZ-O 3.49Å; K1665-L1750 HydrophobicContact CG-CD2 4.29Å; K1665-E1752 PolarHBondContact NZ-O 3.1Å; K1665-D1753 PolarHBondContact NZ-O 3.16Å |
| 1666 | S | 91.4 | Very high | 92.4 | Very high | 43 Ų | 43 | 29.8 Ų | 29.8 | 30% | 0.301 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | -175.8 | -61 | 0 | 0 | 0 | 0 | 112.7 | F1664 V1668 Q1669 D1670 | F1664-S1666 VanDerWaalsContact C-N 3.32Å; F1664-S1666 PolarHBondContact O-N 2.86Å; S1666-V1668 VanDerWaalsContact C-N 3.34Å; S1666-V1668 PolarHBondContact O-N 2.72Å; S1666-Q1669 PolarHBondContact O-N 2.75Å; S1666-D1670 PolarHBondContact O-N 2.89Å; S1666-D1670 VanDerWaalsContact O-N 3.09Å |
| 1667 | Q | 88.6 | Confident | 92.2 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 16% | 0.159 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.2 | -166.6 | -170.3 | 39 | 0 | 0 | 111.1 | A381 F1664 K1665 K1671 | A381-Q1667 VanDerWaalsContact CB-NE2 3.33Å; A381-Q1667 PolarHBondContact O-NE2 2.85Å; F1664-Q1667 WeakPolarHBondContact O-CB 3.39Å; F1664-Q1667 PolarHBondContact O-N 3.01Å; K1665-Q1667 PolarHBondContact O-N 3.39Å; Q1667-K1671 HydrophobicContact CG-CD 4.25Å; Q1667-K1671 VanDerWaalsContact O-CB 3.32Å; Q1667-K1671 WeakPolarHBondContact O-CB 3.3Å; Q1667-K1671 WeakPolarHBondContact O-CG 3.41Å; Q1667-K1671 PolarHBondContact O-N 3.35Å |
| 1668 | V | 91.5 | Very high | 92 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.6 | -41.1 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | W1655 L1659 F1664 K1665 S1666 D1670 K1671 K1672 | W1655-V1668 HydrophobicContact CE3-CB 4.46Å; W1655-V1668 HydrophobicContact CE3-CG1 3.65Å; W1655-V1668 HydrophobicContact CE3-CG2 4.17Å; W1655-V1668 HydrophobicContact CZ3-CB 4.42Å; W1655-V1668 HydrophobicContact CZ3-CG1 4Å; W1655-V1668 HydrophobicContact CZ3-CG2 4.08Å; L1659-V1668 HydrophobicContact CB-CB 4.36Å; L1659-V1668 HydrophobicContact CB-CG1 3.83Å; L1659-V1668 HydrophobicContact CD1-CB 4.1Å; L1659-V1668 HydrophobicContact CD1-CG1 4.01Å; L1659-V1668 HydrophobicContact CG-CG1 4.4Å; F1664-V1668 PolarHBondContact O-N 3.4Å; F1664-V1668 VanDerWaalsContact O-N 3.17Å; K1665-V1668 PolarHBondContact O-N 3.22Å; S1666-V1668 VanDerWaalsContact C-N 3.34Å; S1666-V1668 PolarHBondContact O-N 2.72Å; V1668-D1670 VanDerWaalsContact C-N 3.31Å; V1668-D1670 PolarHBondContact O-N 3.29Å; V1668-K1671 PolarHBondContact O-N 3.38Å; V1668-K1672 CarbonylContact O-C 3.55Å; V1668-K1672 WeakPolarHBondContact O-CA 3.43Å; V1668-K1672 PolarHBondContact O-N 3.06Å |
| 1669 | Q | 89.7 | Confident | 91.8 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 28% | 0.276 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 175.7 | 170.9 | 169.2 | -8.7 | 0 | 0 | 112.1 | K1665 S1666 I1676 | K1665-Q1669 VanDerWaalsContact O-CB 3.28Å; K1665-Q1669 WeakPolarHBondContact O-CB 3.26Å; K1665-Q1669 PolarHBondContact O-N 2.69Å; S1666-Q1669 PolarHBondContact O-N 2.75Å; Q1669-I1676 HydrophobicContact CB-CD1 4.43Å; Q1669-I1676 HydrophobicContact CG-CD1 4.1Å |
| 1670 | D | 87.5 | Confident | 91.6 | Very high | 135 Ų | 135 | 43.3 Ų | 43.3 | 72% | 0.722 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -78.6 | -42.8 | 178.1 | -72.9 | -18.3 | 0 | 0 | 0 | 112.8 | S1666 V1668 | S1666-D1670 PolarHBondContact O-N 2.89Å; S1666-D1670 VanDerWaalsContact O-N 3.09Å; V1668-D1670 VanDerWaalsContact C-N 3.31Å; V1668-D1670 PolarHBondContact O-N 3.29Å |
| 1671 | K | 85.8 | Confident | 91.1 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 30% | 0.3 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -79.2 | -33.9 | -177.2 | -71.8 | -167.8 | 176.5 | -171.9 | 0 | 114.5 | A381 T1612 Q1667 V1668 | A381-K1671 WeakPolarHBondContact O-CE 3.27Å; A381-K1671 PolarHBondContact O-NZ 3.03Å; T1612-K1671 HydrophobicContact CG2-CD 4.29Å; T1612-K1671 VanDerWaalsContact CG2-NZ 3.33Å; Q1667-K1671 HydrophobicContact CG-CD 4.25Å; Q1667-K1671 VanDerWaalsContact O-CB 3.32Å; Q1667-K1671 WeakPolarHBondContact O-CB 3.3Å; Q1667-K1671 WeakPolarHBondContact O-CG 3.41Å; Q1667-K1671 PolarHBondContact O-N 3.35Å; V1668-K1671 PolarHBondContact O-N 3.38Å |
| 1672 | K | 88.2 | Confident | 90.7 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 27% | 0.27 | 25% | 0.252 | S | S | . | . | trans | -139.9 | 65.3 | -173.2 | -71.8 | -75.6 | -173.8 | 165.6 | 0 | 112.3 | Y1651 W1655 V1668 T1674 V1675 | Y1651-K1672 PolarHBondContact OH-NZ 2.81Å; W1655-K1672 HydrophobicContact CD2-CB 4.48Å; W1655-K1672 HydrophobicContact CD2-CG 4.07Å; W1655-K1672 HydrophobicContact CE3-CB 4.18Å; W1655-K1672 HydrophobicContact CE3-CG 4.01Å; W1655-K1672 HydrophobicContact CH2-CB 4.45Å; W1655-K1672 HydrophobicContact CH2-CG 3.56Å; W1655-K1672 HydrophobicContact CZ2-CD 4.26Å; W1655-K1672 HydrophobicContact CZ2-CG 3.62Å; W1655-K1672 HydrophobicContact CZ3-CB 4.15Å; W1655-K1672 HydrophobicContact CZ3-CG 3.75Å; V1668-K1672 CarbonylContact O-C 3.55Å; V1668-K1672 WeakPolarHBondContact O-CA 3.43Å; V1668-K1672 PolarHBondContact O-N 3.06Å; K1672-T1674 PolarHBondContact O-N 3.31Å; K1672-V1675 HydrophobicContact CB-CG2 3.74Å; K1672-V1675 WeakPolarHBondContact O-CB 3.06Å; K1672-V1675 PolarHBondContact O-N 2.66Å | ||
| 1673 | P | 88.3 | Confident | 90.2 | Very high | 80 Ų | 80 | 51 Ų | 51 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -16 | 178 | 25.2 | -35.5 | 0 | 0 | 0 | 114.4 | V1675 I1676 | P1673-V1675 VanDerWaalsContact C-N 3.26Å; P1673-V1675 PolarHBondContact O-N 2.71Å; P1673-I1676 HydrophobicContact CB-CD1 4.49Å; P1673-I1676 WeakPolarHBondContact O-CB 3.48Å; P1673-I1676 PolarHBondContact O-N 3.49Å |
| 1674 | T | 90.9 | Very high | 89.6 | Confident | 91 Ų | 91 | 54.3 Ų | 54.3 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.6 | -30.9 | 170.8 | 48.1 | 0 | 0 | 0 | 0 | 113 | K1672 I1676 K1677 L1678 | K1672-T1674 PolarHBondContact O-N 3.31Å; T1674-I1676 PolarHBondContact O-N 3.03Å; T1674-K1677 VanDerWaalsContact O-CB 3.32Å; T1674-K1677 WeakPolarHBondContact O-CB 3.21Å; T1674-K1677 PolarHBondContact O-N 2.85Å; T1674-L1678 PolarHBondContact O-N 2.82Å |
| 1675 | V | 92 | Very high | 88.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -28.7 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 111 | W1655 I1656 L1659 K1672 P1673 K1677 L1678 L1679 | W1655-V1675 HydrophobicContact CB-CB 4.49Å; W1655-V1675 HydrophobicContact CB-CG1 3.94Å; W1655-V1675 HydrophobicContact CB-CG2 3.66Å; W1655-V1675 HydrophobicContact CD2-CG2 4.37Å; W1655-V1675 HydrophobicContact CG-CG2 4Å; I1656-V1675 HydrophobicContact CG1-CG1 3.88Å; L1659-V1675 HydrophobicContact CB-CG1 4.21Å; L1659-V1675 HydrophobicContact CD2-CB 4.36Å; L1659-V1675 HydrophobicContact CD2-CG1 3.82Å; K1672-V1675 HydrophobicContact CB-CG2 3.74Å; K1672-V1675 WeakPolarHBondContact O-CB 3.06Å; K1672-V1675 PolarHBondContact O-N 2.66Å; P1673-V1675 VanDerWaalsContact C-N 3.26Å; P1673-V1675 PolarHBondContact O-N 2.71Å; V1675-K1677 PolarHBondContact O-N 3.25Å; V1675-L1678 PolarHBondContact O-N 3.41Å; V1675-L1679 WeakPolarHBondContact O-CB 3.48Å; V1675-L1679 PolarHBondContact O-N 2.89Å |
| 1676 | I | 93.6 | Very high | 87.6 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 172.8 | -60.1 | 164.3 | 0 | 0 | 0 | 111 | L1659 Q1669 P1673 T1674 R1680 V1746 L1750 | L1659-I1676 HydrophobicContact CD2-CG1 3.85Å; Q1669-I1676 HydrophobicContact CB-CD1 4.43Å; Q1669-I1676 HydrophobicContact CG-CD1 4.1Å; P1673-I1676 HydrophobicContact CB-CD1 4.49Å; P1673-I1676 WeakPolarHBondContact O-CB 3.48Å; P1673-I1676 PolarHBondContact O-N 3.49Å; T1674-I1676 PolarHBondContact O-N 3.03Å; I1676-R1680 WeakPolarHBondContact O-CB 3.29Å; I1676-R1680 WeakPolarHBondContact O-CG 3.35Å; I1676-R1680 PolarHBondContact O-N 3Å; I1676-V1746 HydrophobicContact CG2-CG1 4.21Å; I1676-L1750 HydrophobicContact CD1-CD1 3.97Å; I1676-L1750 HydrophobicContact CD1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG1-CD1 4.08Å; I1676-L1750 HydrophobicContact CG1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG2-CD1 3.65Å |
| 1677 | K | 91.2 | Very high | 86.3 | Confident | 146 Ų | 146 | 58.7 Ų | 58.7 | 64% | 0.635 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.2 | -43.7 | 174.3 | -168.4 | -171.3 | 174.5 | -169 | 0 | 111 | T1674 V1675 R1680 M1681 | T1674-K1677 VanDerWaalsContact O-CB 3.32Å; T1674-K1677 WeakPolarHBondContact O-CB 3.21Å; T1674-K1677 PolarHBondContact O-N 2.85Å; V1675-K1677 PolarHBondContact O-N 3.25Å; K1677-R1680 PolarHBondContact O-N 3.06Å; K1677-M1681 HydrophobicContact CD-SD 4.47Å; K1677-M1681 HydrophobicContact CG-SD 4.15Å; K1677-M1681 VanDerWaalsContact O-CG 3.3Å; K1677-M1681 WeakPolarHBondContact O-CG 3.3Å; K1677-M1681 PolarHBondContact O-N 2.86Å |
| 1678 | L | 90.6 | Very high | 84.5 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.6 | -63.8 | 173.9 | 0 | 0 | 0 | 111.7 | E1652 I1656 T1674 V1675 M1681 K1682 | E1652-L1678 HydrophobicContact CB-CD1 4.43Å; E1652-L1678 HydrophobicContact CG-CD1 3.83Å; I1656-L1678 HydrophobicContact CD1-CB 4.05Å; T1674-L1678 PolarHBondContact O-N 2.82Å; V1675-L1678 PolarHBondContact O-N 3.41Å; L1678-M1681 PolarHBondContact O-N 2.79Å; L1678-K1682 PolarHBondContact O-N 2.72Å |
| 1679 | L | 93.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 174.7 | 175 | 57.9 | 0 | 0 | 0 | 111.6 | I1656 L1659 L1660 V1675 K1682 V1683 V1746 L1775 L1778 | I1656-L1679 HydrophobicContact CG2-CD1 4.22Å; L1659-L1679 HydrophobicContact CD2-CB 4.16Å; L1659-L1679 HydrophobicContact CD2-CD2 3.6Å; L1659-L1679 HydrophobicContact CG-CD2 4.06Å; L1660-L1679 HydrophobicContact CD1-CD1 4.11Å; L1660-L1679 HydrophobicContact CD2-CD1 3.94Å; L1660-L1679 HydrophobicContact CD2-CD2 4.15Å; L1660-L1679 HydrophobicContact CG-CD1 4.16Å; V1675-L1679 WeakPolarHBondContact O-CB 3.48Å; V1675-L1679 PolarHBondContact O-N 2.89Å; L1679-K1682 PolarHBondContact O-N 3.48Å; L1679-V1683 HydrophobicContact CD1-CG2 4.33Å; L1679-V1683 WeakPolarHBondContact O-CG2 3.1Å; L1679-V1683 PolarHBondContact O-N 3.33Å; L1679-V1746 HydrophobicContact CD2-CG1 3.95Å; L1679-V1746 HydrophobicContact CD2-CG2 4.44Å; L1679-V1746 HydrophobicContact CG-CG1 4.34Å; L1679-V1746 HydrophobicContact CG-CG2 4.2Å; L1679-L1775 HydrophobicContact CD1-CD1 3.91Å; L1679-L1775 HydrophobicContact CD2-CD1 4.43Å; L1679-L1775 HydrophobicContact CG-CD1 4.36Å; L1679-L1778 HydrophobicContact CD1-CD2 3.4Å |
| 1680 | R | 91.7 | Very high | 79.3 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 172.9 | -75.4 | 177.2 | -177.6 | 156.7 | -1.2 | 111.2 | I1676 K1677 K1682 V1683 D1684 V1746 D1747 | I1676-R1680 WeakPolarHBondContact O-CB 3.29Å; I1676-R1680 WeakPolarHBondContact O-CG 3.35Å; I1676-R1680 PolarHBondContact O-N 3Å; K1677-R1680 PolarHBondContact O-N 3.06Å; R1680-K1682 VanDerWaalsContact C-N 3.3Å; R1680-K1682 PolarHBondContact O-N 3.43Å; R1680-V1683 CarbonylContact O-C 3.58Å; R1680-V1683 PolarHBondContact O-N 2.99Å; R1680-D1684 WeakPolarHBondContact O-CB 3.21Å; R1680-D1684 PolarHBondContact O-N 2.91Å; R1680-D1684 VanDerWaalsContact O-OD2 3.13Å; R1680-V1746 HydrophobicContact CG-CB 4.28Å; R1680-V1746 HydrophobicContact CG-CG1 4.16Å; R1680-V1746 HydrophobicContact CG-CG2 4.14Å; R1680-D1747 IonicContact CZ-OD1 2.89Å; R1680-D1747 IonicContact NE-OD1 2.66Å; R1680-D1747 IonicContact NH2-OD1 2.69Å; R1680-D1747 PolarHBondContact NH2-OD1 3.05Å; R1680-D1747 IonicContact NH2-OD2 3.24Å |
| 1681 | M | 85.8 | Confident | 76.5 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 50% | 0.502 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 177.9 | -73 | 167.8 | 57 | 0 | 0 | 113.2 | K1677 L1678 A1685 | K1677-M1681 HydrophobicContact CD-SD 4.47Å; K1677-M1681 HydrophobicContact CG-SD 4.15Å; K1677-M1681 VanDerWaalsContact O-CG 3.3Å; K1677-M1681 WeakPolarHBondContact O-CG 3.3Å; K1677-M1681 PolarHBondContact O-N 2.86Å; L1678-M1681 PolarHBondContact O-N 2.79Å; M1681-A1685 WeakPolarHBondContact O-CB 3.36Å; M1681-A1685 PolarHBondContact O-N 3.02Å |
| 1682 | K | 85.6 | Confident | 73.7 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 174.1 | -70.2 | -155.4 | 176.3 | -162 | 0 | 112.7 | I1656 L1678 L1679 R1680 A1685 M1686 L1778 Y1782 | I1656-K1682 HydrophobicContact CD1-CD 4.11Å; L1678-K1682 PolarHBondContact O-N 2.72Å; L1679-K1682 PolarHBondContact O-N 3.48Å; R1680-K1682 VanDerWaalsContact C-N 3.3Å; R1680-K1682 PolarHBondContact O-N 3.43Å; K1682-A1685 PolarHBondContact O-N 3.28Å; K1682-M1686 WeakPolarHBondContact O-CG 3.44Å; K1682-M1686 PolarHBondContact O-N 2.92Å; K1682-L1778 HydrophobicContact CB-CD2 4.45Å; K1682-Y1782 PolarHBondContact NZ-OH 3.08Å |
| 1683 | V | 85.4 | Confident | 70.9 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.048 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L1679 R1680 A1685 M1686 F1687 V1746 L1775 L1778 | L1679-V1683 HydrophobicContact CD1-CG2 4.33Å; L1679-V1683 WeakPolarHBondContact O-CG2 3.1Å; L1679-V1683 PolarHBondContact O-N 3.33Å; R1680-V1683 CarbonylContact O-C 3.58Å; R1680-V1683 PolarHBondContact O-N 2.99Å; V1683-A1685 VanDerWaalsContact C-N 3.29Å; V1683-A1685 PolarHBondContact O-N 2.84Å; V1683-M1686 WeakPolarHBondContact O-CB 3.16Å; V1683-M1686 PolarHBondContact O-N 2.82Å; V1683-F1687 HydrophobicContact CG1-CD2 4.33Å; V1683-F1687 HydrophobicContact CG1-CE2 3.77Å; V1683-F1687 VanDerWaalsContact O-CD2 3.23Å; V1683-F1687 WeakPolarHBondContact O-CD2 3.36Å; V1683-F1687 PolarHBondContact O-N 3.45Å; V1683-V1746 HydrophobicContact CG2-CG2 4.16Å; V1683-L1775 HydrophobicContact CG2-CD1 3.61Å; V1683-L1778 HydrophobicContact CG2-CD2 3.97Å |
| 1684 | D | 81.6 | Confident | 68 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 177.1 | -63.6 | -30.5 | 0 | 0 | 0 | 110.8 | R1680 M1686 F1687 T1688 | R1680-D1684 WeakPolarHBondContact O-CB 3.21Å; R1680-D1684 PolarHBondContact O-N 2.91Å; R1680-D1684 VanDerWaalsContact O-OD2 3.13Å; D1684-M1686 VanDerWaalsContact C-N 3.32Å; D1684-M1686 PolarHBondContact O-N 2.77Å; D1684-F1687 WeakPolarHBondContact O-CA 3.41Å; D1684-F1687 WeakPolarHBondContact O-CB 3.35Å; D1684-F1687 PolarHBondContact O-N 3.29Å; D1684-T1688 PolarHBondContact O-N 2.91Å; D1684-T1688 PolarHBondContact O-OG1 2.97Å |
| 1685 | A | 75.8 | Confident | 65.2 | Low | 40 Ų | 40 | 74.2 Ų | 74.2 | 33% | 0.331 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -30 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1681 K1682 V1683 F1687 | M1681-A1685 WeakPolarHBondContact O-CB 3.36Å; M1681-A1685 PolarHBondContact O-N 3.02Å; K1682-A1685 PolarHBondContact O-N 3.28Å; V1683-A1685 VanDerWaalsContact C-N 3.29Å; V1683-A1685 PolarHBondContact O-N 2.84Å; A1685-F1687 PolarHBondContact O-N 2.92Å |
| 1686 | M | 70.6 | Confident | 62 | Low | 4 Ų | 4 | 78.3 Ų | 78.3 | 2% | 0.02 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.2 | -29.8 | 170.8 | -58.9 | 179.3 | 81.1 | 0 | 0 | 111.5 | K1440 V1441 W1444 K1682 V1683 D1684 N1774 L1777 | K1440-M1686 WeakPolarHBondContact CD-O 3.25Å; K1440-M1686 PolarHBondContact NZ-O 3.02Å; V1441-M1686 HydrophobicContact CG2-CE 4.21Å; W1444-M1686 HydrophobicContact CH2-CE 3.63Å; W1444-M1686 HydrophobicContact CH2-CG 4.32Å; W1444-M1686 HydrophobicContact CH2-SD 3.69Å; W1444-M1686 HydrophobicContact CZ2-CE 3.97Å; W1444-M1686 HydrophobicContact CZ2-CG 3.75Å; W1444-M1686 HydrophobicContact CZ2-SD 3.72Å; K1682-M1686 WeakPolarHBondContact O-CG 3.44Å; K1682-M1686 PolarHBondContact O-N 2.92Å; V1683-M1686 WeakPolarHBondContact O-CB 3.16Å; V1683-M1686 PolarHBondContact O-N 2.82Å; D1684-M1686 VanDerWaalsContact C-N 3.32Å; D1684-M1686 PolarHBondContact O-N 2.77Å; M1686-N1774 HydrophobicContact SD-CB 4.43Å; M1686-L1777 HydrophobicContact CE-CB 4.37Å; M1686-L1777 HydrophobicContact CE-CD1 4.08Å |
| 1687 | F | 64.7 | Low | 58.9 | Low | 102 Ų | 102 | 85.7 Ų | 85.7 | 45% | 0.447 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -82.3 | -52.4 | 175.3 | -65.4 | -68.1 | 0 | 0 | 0 | 112.5 | V1683 D1684 A1685 Q1689 S1690 N1774 | V1683-F1687 HydrophobicContact CG1-CD2 4.33Å; V1683-F1687 HydrophobicContact CG1-CE2 3.77Å; V1683-F1687 VanDerWaalsContact O-CD2 3.23Å; V1683-F1687 WeakPolarHBondContact O-CD2 3.36Å; V1683-F1687 PolarHBondContact O-N 3.45Å; D1684-F1687 WeakPolarHBondContact O-CA 3.41Å; D1684-F1687 WeakPolarHBondContact O-CB 3.35Å; D1684-F1687 PolarHBondContact O-N 3.29Å; A1685-F1687 PolarHBondContact O-N 2.92Å; F1687-Q1689 PolarHBondContact O-N 3.4Å; F1687-S1690 PolarHBondContact O-N 2.88Å; F1687-S1690 PolarHBondContact O-OG 3.48Å; F1687-S1690 VanDerWaalsContact O-OG 3.11Å; F1687-N1774 WeakPolarHBondContact CZ-ND2 3.35Å |
| 1688 | T | 50.4 | Low | 56 | Low | 114 Ų | 114 | 84.9 Ų | 84.9 | 70% | 0.699 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -16.3 | -168.3 | 53.6 | 0 | 0 | 0 | 0 | 115.5 | D1684 | D1684-T1688 PolarHBondContact O-N 2.91Å; D1684-T1688 PolarHBondContact O-OG1 2.97Å |
| 1689 | Q | 43.6 | Very low | 53 | Low | 100 Ų | 100 | 89.3 Ų | 89.3 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 18.8 | 170.7 | -63.1 | -165.7 | 25.1 | 0 | 0 | 114.7 | K1440 Q1443 F1687 | K1440-Q1689 HydrophobicContact CD-CB 4.18Å; K1440-Q1689 VanDerWaalsContact CE-O 3.24Å; K1440-Q1689 WeakPolarHBondContact CE-O 3.25Å; K1440-Q1689 VanDerWaalsContact NZ-C 3.32Å; K1440-Q1689 PolarHBondContact NZ-O 2.87Å; Q1443-Q1689 VanDerWaalsContact OE1-OE1 3.09Å; F1687-Q1689 PolarHBondContact O-N 3.4Å |
| 1690 | S | 28.6 | Very low | 50 | Low | 38 Ų | 38 | 95.1 Ų | 95.1 | 27% | 0.266 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -78.1 | 131.8 | 163.3 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | K1440 F1687 T1692 | K1440-S1690 VanDerWaalsContact NZ-N 3.2Å; F1687-S1690 PolarHBondContact O-N 2.88Å; F1687-S1690 PolarHBondContact O-OG 3.48Å; F1687-S1690 VanDerWaalsContact O-OG 3.11Å; S1690-T1692 PolarHBondContact O-N 2.88Å |
| 1691 | P | 29.7 | Very low | 46.7 | Very low | 94 Ų | 94 | 99.9 Ų | 99.9 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | trans | -74.4 | 70.2 | -179.9 | 30.8 | -35.9 | 0 | 0 | 0 | 112.3 | S1693 | P1691-S1693 PolarHBondContact O-N 3.43Š| ||
| 1692 | T | 25.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 100.4 Ų | 100.4 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | trans | -92.3 | 48.1 | 169.2 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | S1690 | S1690-T1692 PolarHBondContact O-N 2.88Š| ||
| 1693 | S | 30.6 | Very low | 41.2 | Very low | 96 Ų | 96 | 104.8 Ų | 104.8 | 67% | 0.671 | 60% | 0.604 | S | S | * | * | trans | -120.7 | 29.5 | 174.7 | 64 | 0 | 0 | 0 | 0 | 112.3 | P1691 V1695 | P1691-S1693 PolarHBondContact O-N 3.43Å; S1693-V1695 PolarHBondContact O-N 3.28Å | ||
| 1694 | N | 26.7 | Very low | 38.6 | Very low | 169 Ų | 169 | 109.7 Ų | 109.7 | 90% | 0.904 | 64% | 0.638 | S | S | * | * | trans | -72.8 | 71.1 | 160.5 | -86.9 | -4.1 | 0 | 0 | 0 | 109.6 | ||||
| 1695 | V | 31.4 | Very low | 36 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | trans | -122.1 | 98.8 | 170.4 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | S1693 | S1693-V1695 PolarHBondContact O-N 3.28Š| ||
| 1696 | C | 25.5 | Very low | 33.9 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | trans | 51.6 | 92.8 | 155.3 | -62.5 | 0 | 0 | 0 | 0 | 118.2 | N1698 | C1696-N1698 WeakPolarHBondContact CB-OD1 3.49Å; C1696-N1698 PolarHBondContact SG-OD1 3.29Å | ||
| 1697 | N | 28.8 | Very low | 32.1 | Very low | 176 Ų | 176 | 126 Ų | 126 | 94% | 0.941 | 71% | 0.714 | S | S | * | * | -92.7 | 127.3 | 116.8 | -99.3 | -21.8 | 0 | 0 | 0 | 107.4 | |||||
| 1698 | N | 29.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | -93.9 | 124.4 | -171.6 | -66.1 | -42.8 | 0 | 0 | 0 | 111.5 | C1696 | C1696-N1698 WeakPolarHBondContact CB-OD1 3.49Å; C1696-N1698 PolarHBondContact SG-OD1 3.29Å | ||
| 1699 | T | 28.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | trans | -120.5 | 121.7 | 146.3 | 42 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1700 | P | 29.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -67.7 | 143.9 | -177.8 | -19.4 | 32 | 0 | 0 | 0 | 111.6 | S1702 | P1700-S1702 PolarHBondContact O-N 2.93Å; P1700-S1702 VanDerWaalsContact O-N 3.16Å | ||
| 1701 | K | 24.2 | Very low | 28.7 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 108.3 | 156.5 | -73.4 | -174.9 | 175.5 | -176.3 | 0 | 107.9 | ||||
| 1702 | S | 29.6 | Very low | 28.7 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -70.7 | 141.1 | 159.7 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | P1700 | P1700-S1702 PolarHBondContact O-N 2.93Å; P1700-S1702 VanDerWaalsContact O-N 3.16Å | ||
| 1703 | N | 26.2 | Very low | 28.8 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -76.8 | 137.6 | 178.7 | -61.4 | -23.3 | 0 | 0 | 0 | 110.5 | ||||
| 1704 | S | 31 | Very low | 28.6 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -142.6 | 90.3 | 145.8 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | N1706 | S1704-N1706 PolarHBondContact O-N 3.31Š| ||
| 1705 | D | 25.3 | Very low | 28.5 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -57 | 123.6 | 163.2 | -64 | -79.6 | 0 | 0 | 0 | 109 | ||||
| 1706 | N | 32.9 | Very low | 28.3 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | -153.1 | 104.5 | 160.5 | -106.3 | -42.7 | 0 | 0 | 0 | 113 | S1704 | S1704-N1706 PolarHBondContact O-N 3.31Š| ||
| 1707 | H | 33.3 | Very low | 28.7 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 71 | 136.6 | 154.6 | -99.6 | -96 | 0 | 0 | 0 | 122.3 | ||||
| 1708 | L | 27.1 | Very low | 28.7 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 166.1 | 172.7 | -108.4 | 66.9 | 0 | 0 | 0 | 112.1 | ||||
| 1709 | P | 31.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -92.6 | 178.1 | -163.5 | 38.6 | -38.5 | 0 | 0 | 0 | 114.3 | ||||
| 1710 | T | 30.2 | Very low | 28.7 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -143.9 | 138.9 | 155.3 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1711 | E | 26.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -94.2 | 145.5 | -174.3 | -52.6 | 171.4 | 138.2 | 0 | 0 | 112 | ||||
| 1712 | T | 30.5 | Very low | 29.3 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -160.4 | 125.8 | 135.5 | 8.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1713 | T | 26.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 20 | 133.6 | 141.7 | 58 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1714 | T | 26.8 | Very low | 30 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -150.4 | 156.6 | 38.4 | 49.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1715 | S | 24.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 53.6 | 109 | 147.3 | 62.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1716 | S | 27.9 | Very low | 31.2 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | -177.6 | 163.2 | 109.3 | 40.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1717 | V | 32.5 | Very low | 32.2 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | -25.1 | 124.4 | 161.7 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1718 | D | 28.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 66% | 0.658 | 72% | 0.72 | S | S | * | * | -168.7 | 158.1 | 76.7 | -145.9 | -28.6 | 0 | 0 | 0 | 113.6 | T1720 | D1718-T1720 PolarHBondContact OD1-N 3.48Š| |||
| 1719 | S | 29.1 | Very low | 35 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -176.1 | 78.3 | 158.7 | -84.4 | 0 | 0 | 0 | 0 | 109.4 | T1721 | S1719-T1721 PolarHBondContact O-N 3.4Š| ||
| 1720 | T | 29.5 | Very low | 36.1 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -55.7 | 120.1 | 171.3 | 42.8 | 0 | 0 | 0 | 0 | 110.6 | D1718 I1722 | D1718-T1720 PolarHBondContact OD1-N 3.48Å; T1720-I1722 VanDerWaalsContact C-N 3.29Å; T1720-I1722 PolarHBondContact O-N 3Å | ||
| 1721 | T | 31.9 | Very low | 37.7 | Very low | 136 Ų | 136 | 114.3 Ų | 114.3 | 83% | 0.834 | 67% | 0.673 | S | S | * | * | trans | -71.9 | 86.6 | 176.6 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | S1719 S1723 | S1719-T1721 PolarHBondContact O-N 3.4Å; T1721-S1723 VanDerWaalsContact C-N 3.3Å; T1721-S1723 PolarHBondContact O-N 2.99Å | ||
| 1722 | I | 34.9 | Very low | 39.5 | Very low | 136 Ų | 136 | 111.3 Ų | 111.3 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | trans | -53.2 | 103.8 | 150.4 | -62.4 | 176.1 | 0 | 0 | 0 | 105.4 | T1720 N1724 | T1720-I1722 VanDerWaalsContact C-N 3.29Å; T1720-I1722 PolarHBondContact O-N 3Å; I1722-N1724 PolarHBondContact O-N 3.36Å | ||
| 1723 | S | 35.3 | Very low | 40.9 | Very low | 95 Ų | 95 | 110 Ų | 110 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | trans | -74.3 | 85 | -178.7 | 66.8 | 0 | 0 | 0 | 0 | 108.4 | T1721 K1725 | T1721-S1723 VanDerWaalsContact C-N 3.3Å; T1721-S1723 PolarHBondContact O-N 2.99Å; S1723-K1725 PolarHBondContact O-N 3.04Å | ||
| 1724 | N | 34.4 | Very low | 41.6 | Very low | 120 Ų | 120 | 105.6 Ų | 105.6 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | trans | -64.3 | 69.1 | 169.2 | -81.6 | -14.7 | 0 | 0 | 0 | 110 | I1722 H1726 | I1722-N1724 PolarHBondContact O-N 3.36Å; N1724-H1726 PolarHBondContact O-N 3.19Å | ||
| 1725 | K | 40 | Very low | 42.6 | Very low | 191 Ų | 191 | 105.6 Ų | 105.6 | 83% | 0.83 | 62% | 0.623 | S | S | * | * | trans | -73.3 | 55.5 | 155.6 | -74.8 | -174 | 175.4 | 176.8 | 0 | 109.1 | S1723 S1727 | S1723-K1725 PolarHBondContact O-N 3.04Å; K1725-S1727 PolarHBondContact O-N 3.44Å | ||
| 1726 | H | 41.4 | Very low | 43.7 | Very low | 91 Ų | 91 | 108.4 Ų | 108.4 | 42% | 0.421 | 63% | 0.63 | S | S | . | * | trans | -46.9 | 127.5 | 142.2 | -78 | -58.6 | 0 | 0 | 0 | 106.4 | N1724 G1728 E1730 | N1724-H1726 PolarHBondContact O-N 3.19Å; H1726-G1728 PolarHBondContact O-N 2.94Å; H1726-E1730 WeakPolarHBondContact CA-OE2 3.37Å; H1726-E1730 HydrophobicContact CB-CB 4.39Å; H1726-E1730 IonicContact CE1-OE2 3.81Å; H1726-E1730 IonicContact CG-OE2 2.69Å; H1726-E1730 IonicContact ND1-OE1 3.02Å; H1726-E1730 IonicContact ND1-OE2 3.19Å; H1726-E1730 PolarHBondContact ND1-OE2 3.38Å | ||
| 1727 | S | 53.2 | Low | 44.3 | Very low | 56 Ų | 56 | 111.1 Ų | 111.1 | 39% | 0.392 | 62% | 0.623 | S | S | . | * | trans | -60.8 | 145.3 | 177.4 | 73.2 | 0 | 0 | 0 | 0 | 108.1 | K1725 L1729 E1730 T1731 | K1725-S1727 PolarHBondContact O-N 3.44Å; S1727-L1729 PolarHBondContact O-N 3.04Å; S1727-E1730 WeakPolarHBondContact O-CA 3.44Å; S1727-E1730 VanDerWaalsContact O-CB 3.29Å; S1727-E1730 WeakPolarHBondContact O-CB 3.49Å; S1727-E1730 PolarHBondContact O-N 3.38Å; S1727-T1731 PolarHBondContact O-N 2.84Å | ||
| 1728 | G | 58.6 | Low | 44.8 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 58% | 0.577 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -55.9 | -23.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1726 V1732 | H1726-G1728 PolarHBondContact O-N 2.94Å; G1728-V1732 WeakPolarHBondContact O-CB 3.48Å; G1728-V1732 WeakPolarHBondContact O-CG2 3.37Å; G1728-V1732 PolarHBondContact O-N 3.07Å |
| 1729 | L | 60.7 | Low | 45.4 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.4 | -41.2 | 170.8 | -58.3 | 171.4 | 0 | 0 | 0 | 112.4 | S1727 T1731 V1732 F1733 F1738 | S1727-L1729 PolarHBondContact O-N 3.04Å; L1729-T1731 VanDerWaalsContact C-N 3.31Å; L1729-T1731 PolarHBondContact O-N 3.43Å; L1729-V1732 PolarHBondContact O-N 3.47Å; L1729-F1733 HydrophobicContact CB-CD2 4.26Å; L1729-F1733 HydrophobicContact CD2-CD2 4.45Å; L1729-F1733 HydrophobicContact CD2-CE2 4.02Å; L1729-F1733 WeakPolarHBondContact O-CB 3.31Å; L1729-F1733 VanDerWaalsContact O-CD2 3.27Å; L1729-F1733 WeakPolarHBondContact O-CD2 3.32Å; L1729-F1733 PolarHBondContact O-N 2.85Å; L1729-F1738 HydrophobicContact CB-CE2 4.01Å; L1729-F1738 HydrophobicContact CB-CZ 3.76Å; L1729-F1738 HydrophobicContact CD1-CZ 4.49Å |
| 1730 | E | 54.5 | Low | 46.1 | Very low | 54 Ų | 54 | 113.5 Ų | 113.5 | 25% | 0.252 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.4 | -32.6 | -179.4 | -161.5 | 169.9 | -155.2 | 0 | 0 | 111.6 | H1726 S1727 G1734 L1735 F1738 | H1726-E1730 WeakPolarHBondContact CA-OE2 3.37Å; H1726-E1730 HydrophobicContact CB-CB 4.39Å; H1726-E1730 IonicContact CE1-OE2 3.81Å; H1726-E1730 IonicContact CG-OE2 2.69Å; H1726-E1730 IonicContact ND1-OE1 3.02Å; H1726-E1730 IonicContact ND1-OE2 3.19Å; H1726-E1730 PolarHBondContact ND1-OE2 3.38Å; S1727-E1730 WeakPolarHBondContact O-CA 3.44Å; S1727-E1730 VanDerWaalsContact O-CB 3.29Å; S1727-E1730 WeakPolarHBondContact O-CB 3.49Å; S1727-E1730 PolarHBondContact O-N 3.38Å; E1730-G1734 CarbonylContact O-C 3.59Å; E1730-G1734 WeakPolarHBondContact O-CA 3.38Å; E1730-G1734 PolarHBondContact O-N 3.02Å; E1730-L1735 HydrophobicContact CG-CD2 4.2Å; E1730-L1735 WeakPolarHBondContact OE1-CD2 3.32Å; E1730-F1738 HydrophobicContact CB-CE2 4.32Å |
| 1731 | T | 65.3 | Low | 47.1 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.5 | -41 | 169.7 | -44.2 | 0 | 0 | 0 | 0 | 112.6 | S1727 L1729 | S1727-T1731 PolarHBondContact O-N 2.84Å; L1729-T1731 VanDerWaalsContact C-N 3.31Å; L1729-T1731 PolarHBondContact O-N 3.43Å |
| 1732 | V | 62.9 | Low | 48.1 | Very low | 115 Ų | 115 | 110.1 Ų | 110.1 | 70% | 0.697 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.2 | -35.9 | -177.7 | 163.3 | 0 | 0 | 0 | 0 | 112.9 | G1728 L1729 | G1728-V1732 WeakPolarHBondContact O-CB 3.48Å; G1728-V1732 WeakPolarHBondContact O-CG2 3.37Å; G1728-V1732 PolarHBondContact O-N 3.07Å; L1729-V1732 PolarHBondContact O-N 3.47Å |
| 1733 | F | 59.6 | Low | 49.3 | Very low | 105 Ų | 105 | 106.5 Ų | 106.5 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -102.3 | -23 | -177.2 | -69.8 | -73.2 | 0 | 0 | 0 | 113.2 | L1729 Y1737 F1738 | L1729-F1733 HydrophobicContact CB-CD2 4.26Å; L1729-F1733 HydrophobicContact CD2-CD2 4.45Å; L1729-F1733 HydrophobicContact CD2-CE2 4.02Å; L1729-F1733 WeakPolarHBondContact O-CB 3.31Å; L1729-F1733 VanDerWaalsContact O-CD2 3.27Å; L1729-F1733 WeakPolarHBondContact O-CD2 3.32Å; L1729-F1733 PolarHBondContact O-N 2.85Å; F1733-Y1737 HydrophobicContact CB-CG 4.16Å; F1733-Y1737 HydrophobicContact CD1-CD1 4.13Å; F1733-Y1737 HydrophobicContact CD1-CE1 4.49Å; F1733-Y1737 HydrophobicContact CD1-CG 4.2Å; F1733-Y1737 WeakPolarHBondContact O-CB 3.33Å; F1733-F1738 HydrophobicContact CB-CE2 4.49Å |
| 1734 | G | 41.9 | Very low | 51.7 | Low | 28 Ų | 28 | 104.3 Ų | 104.3 | 29% | 0.289 | 56% | 0.557 | S | S | . | * | trans | 77.4 | 159.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1730 N1736 Y1737 | E1730-G1734 CarbonylContact O-C 3.59Å; E1730-G1734 WeakPolarHBondContact O-CA 3.38Å; E1730-G1734 PolarHBondContact O-N 3.02Å; G1734-N1736 PolarHBondContact O-N 3.32Å; G1734-Y1737 PolarHBondContact O-N 3.03Å; G1734-Y1737 VanDerWaalsContact O-N 3.07Å | ||
| 1735 | L | 48.1 | Very low | 54.4 | Low | 122 Ų | 122 | 99.7 Ų | 99.7 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -21.1 | 178.9 | -69.8 | 166.1 | 0 | 0 | 0 | 113.7 | E1730 F1738 | E1730-L1735 HydrophobicContact CG-CD2 4.2Å; E1730-L1735 WeakPolarHBondContact OE1-CD2 3.32Å; L1735-F1738 VanDerWaalsContact O-O 3.13Å |
| 1736 | N | 47.5 | Very low | 57 | Low | 162 Ų | 162 | 90.6 Ų | 90.6 | 87% | 0.866 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -19.4 | -179.5 | -64.8 | -11.9 | 0 | 0 | 0 | 114.1 | G1734 | G1734-N1736 PolarHBondContact O-N 3.32Š|
| 1737 | Y | 41.7 | Very low | 59.4 | Low | 175 Ų | 175 | 87.9 Ų | 87.9 | 69% | 0.686 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -16.8 | 179.4 | -117.9 | -85.9 | 0 | 0 | 0 | 113.5 | F1733 G1734 P1739 | F1733-Y1737 HydrophobicContact CB-CG 4.16Å; F1733-Y1737 HydrophobicContact CD1-CD1 4.13Å; F1733-Y1737 HydrophobicContact CD1-CE1 4.49Å; F1733-Y1737 HydrophobicContact CD1-CG 4.2Å; F1733-Y1737 WeakPolarHBondContact O-CB 3.33Å; G1734-Y1737 PolarHBondContact O-N 3.03Å; G1734-Y1737 VanDerWaalsContact O-N 3.07Å; Y1737-P1739 WeakPolarHBondContact O-CD 3.21Å |
| 1738 | F | 43.2 | Very low | 61.2 | Low | 91 Ų | 91 | 88.6 Ų | 88.6 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -89.7 | 89.9 | 159.4 | -74.9 | -87.6 | 0 | 0 | 0 | 107.5 | L1729 E1730 F1733 L1735 R1740 | L1729-F1738 HydrophobicContact CB-CE2 4.01Å; L1729-F1738 HydrophobicContact CB-CZ 3.76Å; L1729-F1738 HydrophobicContact CD1-CZ 4.49Å; E1730-F1738 HydrophobicContact CB-CE2 4.32Å; F1733-F1738 HydrophobicContact CB-CE2 4.49Å; L1735-F1738 VanDerWaalsContact O-O 3.13Å; F1738-R1740 PolarHBondContact O-N 2.97Å |
| 1739 | P | 40.8 | Very low | 63 | Low | 93 Ų | 93 | 85.9 Ų | 85.9 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | trans | -59.8 | 107.6 | 164.5 | 26.8 | -32.9 | 0 | 0 | 0 | 107.3 | Y1737 T1741 | Y1737-P1739 WeakPolarHBondContact O-CD 3.21Å; P1739-T1741 VanDerWaalsContact C-N 3.34Å; P1739-T1741 WeakPolarHBondContact O-CA 3.46Å; P1739-T1741 PolarHBondContact O-N 3.04Å | ||
| 1740 | R | 44 | Very low | 64.6 | Low | 232 Ų | 232 | 82.2 Ų | 82.2 | 88% | 0.875 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -39.8 | 111.8 | 143.1 | -77.8 | -176.3 | 173.9 | -169.6 | -1.9 | 104 | F1738 S1742 | F1738-R1740 PolarHBondContact O-N 2.97Å; R1740-S1742 PolarHBondContact O-N 3.44Å |
| 1741 | T | 49.4 | Very low | 66.4 | Low | 61 Ų | 61 | 87.1 Ų | 87.1 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | trans | -48.2 | 136.6 | -150.3 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | P1739 L1743 R1748 | P1739-T1741 VanDerWaalsContact C-N 3.34Å; P1739-T1741 WeakPolarHBondContact O-CA 3.46Å; P1739-T1741 PolarHBondContact O-N 3.04Å; T1741-L1743 CarbonylContact O-C 3.42Å; T1741-L1743 PolarHBondContact O-N 3.45Å; T1741-L1743 PolarHBondContact OG1-O 2.68Å; T1741-R1748 PolarHBondContact OG1-NE 3.43Å | ||
| 1742 | S | 52.2 | Low | 67.8 | Low | 119 Ų | 119 | 84.4 Ų | 84.4 | 83% | 0.832 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -66 | 14.4 | 177.3 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | R1740 | R1740-S1742 PolarHBondContact O-N 3.44Š|
| 1743 | L | 61.5 | Low | 69.2 | Low | 61 Ų | 61 | 85.4 Ų | 85.4 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -119.5 | 130.2 | 177.7 | -61.4 | 173.1 | 0 | 0 | 0 | 105.4 | T1741 D1747 | T1741-L1743 CarbonylContact O-C 3.42Å; T1741-L1743 PolarHBondContact O-N 3.45Å; T1741-L1743 PolarHBondContact OG1-O 2.68Å; L1743-D1747 HydrophobicContact CB-CB 3.8Å; L1743-D1747 HydrophobicContact CD2-CB 4.41Å |
| 1744 | S | 85.6 | Confident | 70.8 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 34% | 0.343 | 42% | 0.423 | S | S | . | . | trans | -58.1 | 167.2 | 177.5 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | V1746 D1747 R1748 | S1744-V1746 PolarHBondContact O-N 2.67Å; S1744-D1747 WeakPolarHBondContact CB-OD2 3.43Å; S1744-D1747 PolarHBondContact N-OD2 2.87Å; S1744-D1747 VanDerWaalsContact N-OD2 3.12Å; S1744-D1747 PolarHBondContact O-N 3.03Å; S1744-D1747 PolarHBondContact OG-N 3.4Å; S1744-D1747 PolarHBondContact OG-OD2 3.29Å; S1744-R1748 PolarHBondContact O-N 3.37Å | ||
| 1745 | E | 91.2 | Very high | 73.3 | Confident | 22 Ų | 22 | 83 Ų | 83 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -52.8 | -43.4 | 169.9 | -76.3 | -178.3 | -134.9 | 0 | 0 | 111.4 | D1747 R1748 Y1749 Y1772 P1773 N1774 L1775 | E1745-D1747 VanDerWaalsContact C-N 3.34Å; E1745-D1747 PolarHBondContact O-N 3.02Å; E1745-R1748 PolarHBondContact O-N 2.86Å; E1745-Y1749 WeakPolarHBondContact O-CB 3.2Å; E1745-Y1749 PolarHBondContact O-N 3Å; E1745-Y1772 HydrophobicContact CB-CD1 4.15Å; E1745-Y1772 HydrophobicContact CG-CD1 4.44Å; E1745-Y1772 WeakPolarHBondContact O-CE1 3.25Å; E1745-Y1772 VanDerWaalsContact OE2-CA 3.23Å; E1745-Y1772 WeakPolarHBondContact OE2-CA 3.44Å; E1745-P1773 WeakPolarHBondContact OE1-CD 3.47Å; E1745-N1774 PolarHBondContact OE1-N 3.3Å; E1745-N1774 PolarHBondContact OE1-ND2 3.2Å; E1745-N1774 PolarHBondContact OE2-N 3.44Å; E1745-L1775 HydrophobicContact CB-CB 4.29Å; E1745-L1775 HydrophobicContact CB-CD2 4.48Å; E1745-L1775 PolarHBondContact OE2-N 3.26Å |
| 1746 | V | 93.1 | Very high | 75.2 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.006 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 174.7 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | I1676 L1679 R1680 V1683 S1744 R1748 Y1749 L1750 L1775 | I1676-V1746 HydrophobicContact CG2-CG1 4.21Å; L1679-V1746 HydrophobicContact CD2-CG1 3.95Å; L1679-V1746 HydrophobicContact CD2-CG2 4.44Å; L1679-V1746 HydrophobicContact CG-CG1 4.34Å; L1679-V1746 HydrophobicContact CG-CG2 4.2Å; R1680-V1746 HydrophobicContact CG-CB 4.28Å; R1680-V1746 HydrophobicContact CG-CG1 4.16Å; R1680-V1746 HydrophobicContact CG-CG2 4.14Å; V1683-V1746 HydrophobicContact CG2-CG2 4.16Å; S1744-V1746 PolarHBondContact O-N 2.67Å; V1746-R1748 VanDerWaalsContact C-N 3.32Å; V1746-R1748 PolarHBondContact O-N 3.16Å; V1746-Y1749 PolarHBondContact O-N 2.84Å; V1746-L1750 HydrophobicContact CG1-CD1 3.76Å; V1746-L1750 HydrophobicContact CG1-CG 4.24Å; V1746-L1750 WeakPolarHBondContact O-CB 3.47Å; V1746-L1750 VanDerWaalsContact O-CG 3.25Å; V1746-L1750 WeakPolarHBondContact O-CG 3.5Å; V1746-L1750 PolarHBondContact O-N 3.37Å; V1746-L1775 HydrophobicContact CG2-CD1 3.84Å; V1746-L1775 HydrophobicContact CG2-CD2 4.48Å |
| 1747 | D | 92.2 | Very high | 77 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -26.9 | -179 | -66.3 | -50.6 | 0 | 0 | 0 | 113.7 | R1680 L1743 S1744 E1745 R1751 | R1680-D1747 IonicContact CZ-OD1 2.89Å; R1680-D1747 IonicContact NE-OD1 2.66Å; R1680-D1747 IonicContact NH2-OD1 2.69Å; R1680-D1747 PolarHBondContact NH2-OD1 3.05Å; R1680-D1747 IonicContact NH2-OD2 3.24Å; L1743-D1747 HydrophobicContact CB-CB 3.8Å; L1743-D1747 HydrophobicContact CD2-CB 4.41Å; S1744-D1747 WeakPolarHBondContact CB-OD2 3.43Å; S1744-D1747 PolarHBondContact N-OD2 2.87Å; S1744-D1747 VanDerWaalsContact N-OD2 3.12Å; S1744-D1747 PolarHBondContact O-N 3.03Å; S1744-D1747 PolarHBondContact OG-N 3.4Å; S1744-D1747 PolarHBondContact OG-OD2 3.29Å; E1745-D1747 VanDerWaalsContact C-N 3.34Å; E1745-D1747 PolarHBondContact O-N 3.02Å; D1747-R1751 WeakPolarHBondContact O-CG 3.37Å; D1747-R1751 PolarHBondContact O-NH1 2.98Å |
| 1748 | R | 92.5 | Very high | 79 | Confident | 70 Ų | 70 | 68.5 Ų | 68.5 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.5 | -45.3 | 169.5 | -92.8 | -173.7 | -76.4 | 125.5 | 2.3 | 111.4 | T1741 S1744 E1745 V1746 L1750 R1751 E1752 N1771 Y1772 | T1741-R1748 PolarHBondContact OG1-NE 3.43Å; S1744-R1748 PolarHBondContact O-N 3.37Å; E1745-R1748 PolarHBondContact O-N 2.86Å; V1746-R1748 VanDerWaalsContact C-N 3.32Å; V1746-R1748 PolarHBondContact O-N 3.16Å; R1748-L1750 VanDerWaalsContact C-N 3.35Å; R1748-L1750 PolarHBondContact O-N 3.25Å; R1748-R1751 WeakPolarHBondContact O-CA 3.34Å; R1748-R1751 WeakPolarHBondContact O-CB 3.45Å; R1748-R1751 PolarHBondContact O-N 3.26Å; R1748-E1752 PolarHBondContact O-N 2.97Å; R1748-N1771 PolarHBondContact NH1-O 3.02Å; R1748-Y1772 HydrophobicContact CB-CE1 3.61Å |
| 1749 | Y | 95.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 180 | 169.6 | -110.7 | 0 | 0 | 0 | 112.9 | L1659 L1660 P1662 K1665 E1745 V1746 R1751 E1752 W1764 W1765 L1775 | L1659-Y1749 VanDerWaalsContact O-CE1 3.22Å; L1659-Y1749 WeakPolarHBondContact O-CE1 3.4Å; L1659-Y1749 PolarHBondContact O-OH 3.27Å; L1660-Y1749 VanDerWaalsContact C-OH 3.23Å; L1660-Y1749 WeakPolarHBondContact CA-OH 3.43Å; L1660-Y1749 PolarHBondContact O-OH 3.02Å; P1662-Y1749 HydrophobicContact CG-CE2 4.44Å; K1665-Y1749 HydrophobicContact CD-CD1 4.02Å; K1665-Y1749 HydrophobicContact CD-CD2 4.23Å; K1665-Y1749 HydrophobicContact CD-CE1 3.48Å; K1665-Y1749 VanDerWaalsContact CD-CE1 3.48Å; K1665-Y1749 HydrophobicContact CD-CE2 3.71Å; K1665-Y1749 HydrophobicContact CD-CG 4.36Å; K1665-Y1749 WeakPolarHBondContact CD-OH 3.39Å; K1665-Y1749 HydrophobicContact CG-CE1 3.78Å; K1665-Y1749 PolarHBondContact NZ-O 3.49Å; E1745-Y1749 WeakPolarHBondContact O-CB 3.2Å; E1745-Y1749 PolarHBondContact O-N 3Å; V1746-Y1749 PolarHBondContact O-N 2.84Å; Y1749-R1751 PolarHBondContact O-N 3.28Å; Y1749-R1751 VanDerWaalsContact O-N 3.11Å; Y1749-E1752 PolarHBondContact O-N 3.1Å; Y1749-W1764 AromaticContact CD2-CH2 3.8Å; Y1749-W1764 HydrophobicContact CD2-CH2 3.8Å; Y1749-W1764 AromaticContact CD2-CZ3 3.96Å; Y1749-W1764 HydrophobicContact CD2-CZ3 3.96Å; Y1749-W1764 AromaticContact CE2-CH2 3.95Å; Y1749-W1764 HydrophobicContact CE2-CH2 3.95Å; Y1749-W1764 AromaticContact CE2-CZ3 3.86Å; Y1749-W1764 HydrophobicContact CE2-CZ3 3.86Å; Y1749-W1765 HydrophobicContact CD1-CH2 4.44Å; Y1749-W1765 AromaticContact CD2-CH2 3.41Å; Y1749-W1765 HydrophobicContact CD2-CH2 3.41Å; Y1749-W1765 VanDerWaalsContact CD2-CH2 3.41Å; Y1749-W1765 AromaticContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ3 4.3Å; Y1749-W1765 HydrophobicContact CE1-CZ2 4.32Å; Y1749-W1765 AromaticContact CE2-CH2 3.52Å; Y1749-W1765 HydrophobicContact CE2-CH2 3.52Å; Y1749-W1765 AromaticContact CE2-CZ2 3.26Å; Y1749-W1765 HydrophobicContact CE2-CZ2 3.26Å; Y1749-W1765 AromaticContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CZ2 4.41Å; Y1749-W1765 AromaticContact CZ-CZ2 3.61Å; Y1749-L1775 VanDerWaalsContact CB-CD2 3.49Å; Y1749-L1775 HydrophobicContact CD1-CD2 3.9Å; Y1749-L1775 HydrophobicContact CG-CD2 3.73Å |
| 1750 | L | 93.8 | Very high | 83.3 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 1.3 | 174.1 | -62.3 | 173.2 | 0 | 0 | 0 | 114.3 | L1659 K1665 I1676 V1746 R1748 | L1659-L1750 HydrophobicContact CD1-CD2 3.98Å; K1665-L1750 HydrophobicContact CG-CD2 4.29Å; I1676-L1750 HydrophobicContact CD1-CD1 3.97Å; I1676-L1750 HydrophobicContact CD1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG1-CD1 4.08Å; I1676-L1750 HydrophobicContact CG1-CD2 4.45Å; I1676-L1750 HydrophobicContact CG2-CD1 3.65Å; V1746-L1750 HydrophobicContact CG1-CD1 3.76Å; V1746-L1750 HydrophobicContact CG1-CG 4.24Å; V1746-L1750 WeakPolarHBondContact O-CB 3.47Å; V1746-L1750 VanDerWaalsContact O-CG 3.25Å; V1746-L1750 WeakPolarHBondContact O-CG 3.5Å; V1746-L1750 PolarHBondContact O-N 3.37Å; R1748-L1750 VanDerWaalsContact C-N 3.35Å; R1748-L1750 PolarHBondContact O-N 3.25Å |
| 1751 | R | 92.6 | Very high | 85.6 | Confident | 157 Ų | 157 | 55.2 Ų | 55.2 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -8.1 | 173.1 | -71.8 | -179.3 | 175.6 | 88 | -8.8 | 114.1 | D1747 R1748 Y1749 | D1747-R1751 WeakPolarHBondContact O-CG 3.37Å; D1747-R1751 PolarHBondContact O-NH1 2.98Å; R1748-R1751 WeakPolarHBondContact O-CA 3.34Å; R1748-R1751 WeakPolarHBondContact O-CB 3.45Å; R1748-R1751 PolarHBondContact O-N 3.26Å; Y1749-R1751 PolarHBondContact O-N 3.28Å; Y1749-R1751 VanDerWaalsContact O-N 3.11Å |
| 1752 | E | 94 | Very high | 87.4 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -66.8 | 153.7 | 166.5 | -61.2 | -91.2 | -162.3 | 0 | 0 | 109 | K1665 R1748 Y1749 W1764 K1768 Y1772 | K1665-E1752 PolarHBondContact NZ-O 3.1Å; R1748-E1752 PolarHBondContact O-N 2.97Å; Y1749-E1752 PolarHBondContact O-N 3.1Å; E1752-W1764 HydrophobicContact CB-CH2 4.36Å; E1752-W1764 HydrophobicContact CB-CZ2 4.06Å; E1752-W1764 HydrophobicContact CG-CH2 4.1Å; E1752-W1764 HydrophobicContact CG-CZ2 4.08Å; E1752-K1768 IonicContact OE1-NZ 3.67Å; E1752-K1768 PolarHBondContact OE1-NZ 2.95Å; E1752-K1768 IonicContact OE2-NZ 2.7Å; E1752-K1768 PolarHBondContact OE2-NZ 3.19Å; E1752-Y1772 VanDerWaalsContact CG-OH 3.25Å; E1752-Y1772 WeakPolarHBondContact CG-OH 3.42Å; E1752-Y1772 WeakPolarHBondContact OE1-CE2 3.36Å; E1752-Y1772 PolarHBondContact OE1-OH 2.98Å |
| 1753 | D | 93.3 | Very high | 89.1 | Confident | 137 Ų | 137 | 50.6 Ų | 50.6 | 73% | 0.733 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 155.2 | 167.2 | -63.9 | -57.3 | 0 | 0 | 0 | 110.4 | K1665 | K1665-D1753 PolarHBondContact NZ-O 3.16Š|
| 1754 | P | 93.2 | Very high | 90.5 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -75 | 162.5 | 168.3 | 33 | -35.1 | 0 | 0 | 0 | 111.3 | P1662 | P1662-P1754 VanDerWaalsContact O-CA 3.28Å; P1662-P1754 WeakPolarHBondContact O-CA 3.23Å; P1662-P1754 VanDerWaalsContact O-CB 3.31Å; P1662-P1754 WeakPolarHBondContact O-CB 3.45Å |
| 1755 | I | 93.8 | Very high | 90.8 | Very high | 19 Ų | 19 | 47.1 Ų | 47.1 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 162.3 | 175.2 | 71.2 | -175.5 | 0 | 0 | 0 | 111.9 | P1662 R1663 E1759 W1764 | P1662-I1755 HydrophobicContact CB-CD1 3.97Å; P1662-I1755 HydrophobicContact CB-CG1 3.99Å; P1662-I1755 HydrophobicContact CB-CG2 4.26Å; P1662-I1755 HydrophobicContact CG-CD1 4.34Å; P1662-I1755 PolarHBondContact O-N 3.06Å; P1662-I1755 VanDerWaalsContact O-N 3.12Å; R1663-I1755 HydrophobicContact CB-CG1 4.49Å; R1663-I1755 HydrophobicContact CG-CD1 3.98Å; R1663-I1755 HydrophobicContact CG-CG1 3.6Å; I1755-E1759 HydrophobicContact CB-CB 4.1Å; I1755-E1759 HydrophobicContact CD1-CB 3.92Å; I1755-E1759 HydrophobicContact CG1-CB 4.1Å; I1755-W1764 HydrophobicContact CD1-CB 4.21Å; I1755-W1764 HydrophobicContact CD1-CG 4.42Å; I1755-W1764 HydrophobicContact CG2-CG 4.13Å |
| 1756 | G | 88.7 | Confident | 90.4 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 155.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1758 E1759 | G1756-E1758 PolarHBondContact O-N 3.41Å; G1756-E1759 PolarHBondContact N-OE1 3.19Å; G1756-E1759 WeakPolarHBondContact O-CB 3.31Å; G1756-E1759 PolarHBondContact O-N 3.43Å |
| 1757 | L | 85.6 | Confident | 90.2 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.2 | -172.5 | -62.8 | 165.5 | 0 | 0 | 0 | 114.4 | L378 R1663 F1664 | L378-L1757 HydrophobicContact CD1-CD1 3.48Å; L378-L1757 VanDerWaalsContact CD1-CD1 3.48Å; L378-L1757 HydrophobicContact CD1-CD2 3.36Å; L378-L1757 HydrophobicContact CD1-CG 3.98Å; R1663-L1757 HydrophobicContact CB-CD2 4.42Å; R1663-L1757 VanDerWaalsContact CD-O 3.31Å; R1663-L1757 WeakPolarHBondContact CD-O 3.31Å; F1664-L1757 HydrophobicContact CE1-CD2 3.72Å; F1664-L1757 HydrophobicContact CZ-CD2 4.35Å |
| 1758 | E | 83.2 | Confident | 90.2 | Very high | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 5.3 | -179.5 | -53.1 | -173.4 | -175.3 | 0 | 0 | 112.1 | L374 K1597 L1600 G1756 | L374-E1758 WeakPolarHBondContact CD1-OE1 3.35Å; K1597-E1758 IonicContact NZ-OE1 2.71Å; K1597-E1758 PolarHBondContact NZ-OE1 3.12Å; K1597-E1758 IonicContact NZ-OE2 2.99Å; K1597-E1758 PolarHBondContact NZ-OE2 2.97Å; K1597-E1758 VanDerWaalsContact NZ-OE2 3.13Å; L1600-E1758 HydrophobicContact CD2-CG 4.04Å; G1756-E1758 PolarHBondContact O-N 3.41Å |
| 1759 | E | 87.6 | Confident | 89.8 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -84.3 | 140.3 | 169.4 | -65.9 | -177 | -112.1 | 0 | 0 | 110.5 | I1755 G1756 P1761 | I1755-E1759 HydrophobicContact CB-CB 4.1Å; I1755-E1759 HydrophobicContact CD1-CB 3.92Å; I1755-E1759 HydrophobicContact CG1-CB 4.1Å; G1756-E1759 PolarHBondContact N-OE1 3.19Å; G1756-E1759 WeakPolarHBondContact O-CB 3.31Å; G1756-E1759 PolarHBondContact O-N 3.43Å; E1759-P1761 VanDerWaalsContact O-CD 3.31Å; E1759-P1761 WeakPolarHBondContact O-CD 3.22Å |
| 1760 | D | 87.4 | Confident | 89.3 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | trans | -72.4 | 114.3 | -178.3 | 175.6 | 9.8 | 0 | 0 | 0 | 111.7 | T1346 I1601 Y1762 Q1763 W1764 | T1346-D1760 PolarHBondContact OG1-OD2 3.09Å; I1601-D1760 HydrophobicContact CD1-CB 3.59Å; I1601-D1760 VanDerWaalsContact CD1-OD1 3.26Å; I1601-D1760 WeakPolarHBondContact CD1-OD1 3.23Å; D1760-Y1762 VanDerWaalsContact C-N 3.26Å; D1760-Y1762 PolarHBondContact O-N 3.01Å; D1760-Y1762 WeakPolarHBondContact OD1-CA 3.37Å; D1760-Y1762 VanDerWaalsContact OD1-CB 3.23Å; D1760-Y1762 WeakPolarHBondContact OD1-CB 3.44Å; D1760-Y1762 WeakPolarHBondContact OD1-CD2 3.49Å; D1760-Y1762 PolarHBondContact OD1-N 3.03Å; D1760-Q1763 HydrophobicContact CB-CB 3.99Å; D1760-Q1763 HydrophobicContact CB-CG 4.22Å; D1760-Q1763 PolarHBondContact O-N 3.4Å; D1760-Q1763 PolarHBondContact OD1-N 3.09Å; D1760-Q1763 VanDerWaalsContact OD2-CG 3.31Å; D1760-Q1763 WeakPolarHBondContact OD2-CG 3.49Å; D1760-Q1763 PolarHBondContact OD2-N 3.42Å; D1760-W1764 PolarHBondContact O-N 3.5Å; D1760-W1764 VanDerWaalsContact O-N 3.11Å | ||
| 1761 | P | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -26.1 | 177.6 | 31.4 | -37 | 0 | 0 | 0 | 112.2 | E1759 W1764 W1765 L1783 | E1759-P1761 VanDerWaalsContact O-CD 3.31Å; E1759-P1761 WeakPolarHBondContact O-CD 3.22Å; P1761-W1764 PolarHBondContact O-N 3.01Å; P1761-W1765 PolarHBondContact O-N 3.38Å; P1761-L1783 HydrophobicContact CB-CD1 3.98Å; P1761-L1783 HydrophobicContact CB-CD2 4.34Å; P1761-L1783 HydrophobicContact CG-CD1 4.37Å; P1761-L1783 HydrophobicContact CG-CD2 4.27Å |
| 1762 | Y | 87.5 | Confident | 88.8 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.2 | -47.6 | 175.4 | -60.9 | -80.8 | 0 | 0 | 0 | 111.5 | N1341 T1348 I1601 T1603 D1760 W1764 W1765 Q1766 M1780 L1783 | N1341-Y1762 HydrophobicContact CB-CD1 4Å; N1341-Y1762 HydrophobicContact CB-CE1 3.94Å; N1341-Y1762 WeakPolarHBondContact ND2-CD1 3.37Å; T1348-Y1762 HydrophobicContact CG2-CD2 4.02Å; T1348-Y1762 HydrophobicContact CG2-CE2 3.24Å; I1601-Y1762 HydrophobicContact CG2-CD2 3.85Å; I1601-Y1762 HydrophobicContact CG2-CE2 3.52Å; T1603-Y1762 HydrophobicContact CG2-CE2 4Å; D1760-Y1762 VanDerWaalsContact C-N 3.26Å; D1760-Y1762 PolarHBondContact O-N 3.01Å; D1760-Y1762 WeakPolarHBondContact OD1-CA 3.37Å; D1760-Y1762 VanDerWaalsContact OD1-CB 3.23Å; D1760-Y1762 WeakPolarHBondContact OD1-CB 3.44Å; D1760-Y1762 WeakPolarHBondContact OD1-CD2 3.49Å; D1760-Y1762 PolarHBondContact OD1-N 3.03Å; Y1762-W1764 VanDerWaalsContact C-N 3.27Å; Y1762-W1764 PolarHBondContact O-N 3.43Å; Y1762-W1765 PolarHBondContact O-N 2.9Å; Y1762-Q1766 VanDerWaalsContact O-CB 3.29Å; Y1762-Q1766 WeakPolarHBondContact O-CB 3.37Å; Y1762-Q1766 PolarHBondContact O-N 2.99Å; Y1762-M1780 HydrophobicContact CD1-CE 3.8Å; Y1762-M1780 HydrophobicContact CD1-SD 3.76Å; Y1762-M1780 HydrophobicContact CE1-SD 4.47Å; Y1762-L1783 HydrophobicContact CD1-CB 4.22Å; Y1762-L1783 HydrophobicContact CD1-CD1 4.49Å; Y1762-L1783 HydrophobicContact CE1-CB 3.56Å; Y1762-L1783 VanDerWaalsContact OH-C 3.24Å; Y1762-L1783 PolarHBondContact OH-O 3.42Å |
| 1763 | Q | 87.2 | Confident | 88.3 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.8 | -44.3 | 170.5 | -89.5 | -55 | -37.1 | 0 | 0 | 111.7 | T1346 D1760 Q1766 T1767 | T1346-Q1763 HydrophobicContact CG2-CG 4.39Å; T1346-Q1763 WeakPolarHBondContact OG1-CG 3.47Å; T1346-Q1763 PolarHBondContact OG1-NE2 2.9Å; D1760-Q1763 HydrophobicContact CB-CB 3.99Å; D1760-Q1763 HydrophobicContact CB-CG 4.22Å; D1760-Q1763 PolarHBondContact O-N 3.4Å; D1760-Q1763 PolarHBondContact OD1-N 3.09Å; D1760-Q1763 VanDerWaalsContact OD2-CG 3.31Å; D1760-Q1763 WeakPolarHBondContact OD2-CG 3.49Å; D1760-Q1763 PolarHBondContact OD2-N 3.42Å; Q1763-Q1766 PolarHBondContact O-N 3.46Å; Q1763-T1767 WeakPolarHBondContact O-CB 3.26Å; Q1763-T1767 PolarHBondContact O-N 3Å; Q1763-T1767 PolarHBondContact O-OG1 3.48Å |
| 1764 | W | 91.6 | Very high | 87.8 | Confident | 35 Ų | 35 | 48 Ų | 48 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -52.1 | -180 | -168.7 | 93.4 | 0 | 0 | 0 | 111.3 | P1662 Y1749 E1752 I1755 D1760 P1761 Y1762 Q1766 T1767 K1768 Y1772 | P1662-W1764 HydrophobicContact CB-CD2 4.14Å; P1662-W1764 HydrophobicContact CB-CE3 4.26Å; P1662-W1764 HydrophobicContact CG-CB 4.49Å; P1662-W1764 HydrophobicContact CG-CD2 3.73Å; P1662-W1764 HydrophobicContact CG-CE3 3.47Å; P1662-W1764 VanDerWaalsContact CG-CE3 3.47Å; P1662-W1764 HydrophobicContact CG-CG 4.18Å; P1662-W1764 HydrophobicContact CG-CZ3 4.01Å; Y1749-W1764 AromaticContact CD2-CH2 3.8Å; Y1749-W1764 HydrophobicContact CD2-CH2 3.8Å; Y1749-W1764 AromaticContact CD2-CZ3 3.96Å; Y1749-W1764 HydrophobicContact CD2-CZ3 3.96Å; Y1749-W1764 AromaticContact CE2-CH2 3.95Å; Y1749-W1764 HydrophobicContact CE2-CH2 3.95Å; Y1749-W1764 AromaticContact CE2-CZ3 3.86Å; Y1749-W1764 HydrophobicContact CE2-CZ3 3.86Å; E1752-W1764 HydrophobicContact CB-CH2 4.36Å; E1752-W1764 HydrophobicContact CB-CZ2 4.06Å; E1752-W1764 HydrophobicContact CG-CH2 4.1Å; E1752-W1764 HydrophobicContact CG-CZ2 4.08Å; I1755-W1764 HydrophobicContact CD1-CB 4.21Å; I1755-W1764 HydrophobicContact CD1-CG 4.42Å; I1755-W1764 HydrophobicContact CG2-CG 4.13Å; D1760-W1764 PolarHBondContact O-N 3.5Å; D1760-W1764 VanDerWaalsContact O-N 3.11Å; P1761-W1764 PolarHBondContact O-N 3.01Å; Y1762-W1764 VanDerWaalsContact C-N 3.27Å; Y1762-W1764 PolarHBondContact O-N 3.43Å; W1764-Q1766 PolarHBondContact O-N 3.46Å; W1764-T1767 PolarHBondContact O-N 2.83Å; W1764-K1768 HydrophobicContact CD2-CG 3.93Å; W1764-K1768 HydrophobicContact CE3-CB 4.29Å; W1764-K1768 HydrophobicContact CE3-CG 4.01Å; W1764-K1768 HydrophobicContact CH2-CB 4.45Å; W1764-K1768 HydrophobicContact CH2-CD 4.49Å; W1764-K1768 HydrophobicContact CH2-CG 4Å; W1764-K1768 HydrophobicContact CZ2-CD 4.28Å; W1764-K1768 HydrophobicContact CZ2-CG 3.95Å; W1764-K1768 HydrophobicContact CZ3-CB 4.17Å; W1764-K1768 HydrophobicContact CZ3-CG 4.04Å; W1764-K1768 VanDerWaalsContact O-CB 3.24Å; W1764-K1768 WeakPolarHBondContact O-CB 3.48Å; W1764-K1768 WeakPolarHBondContact O-CG 3.17Å; W1764-K1768 PolarHBondContact O-N 3.2Å; W1764-Y1772 HydrophobicContact CH2-CE2 4.4Å |
| 1765 | W | 91.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 179.1 | -83.4 | 114.2 | 0 | 0 | 0 | 113.5 | L1660 Y1749 P1761 Y1762 K1768 S1769 Y1772 L1775 A1779 M1780 | L1660-W1765 HydrophobicContact CD2-CH2 4.35Å; L1660-W1765 HydrophobicContact CD2-CZ2 4.08Å; L1660-W1765 VanDerWaalsContact O-CE2 3.3Å; L1660-W1765 WeakPolarHBondContact O-CZ2 3.5Å; L1660-W1765 PolarHBondContact O-NE1 3.26Å; Y1749-W1765 HydrophobicContact CD1-CH2 4.44Å; Y1749-W1765 AromaticContact CD2-CH2 3.41Å; Y1749-W1765 HydrophobicContact CD2-CH2 3.41Å; Y1749-W1765 VanDerWaalsContact CD2-CH2 3.41Å; Y1749-W1765 AromaticContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ2 3.71Å; Y1749-W1765 HydrophobicContact CD2-CZ3 4.3Å; Y1749-W1765 HydrophobicContact CE1-CZ2 4.32Å; Y1749-W1765 AromaticContact CE2-CH2 3.52Å; Y1749-W1765 HydrophobicContact CE2-CH2 3.52Å; Y1749-W1765 AromaticContact CE2-CZ2 3.26Å; Y1749-W1765 HydrophobicContact CE2-CZ2 3.26Å; Y1749-W1765 AromaticContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CH2 3.92Å; Y1749-W1765 HydrophobicContact CG-CZ2 4.41Å; Y1749-W1765 AromaticContact CZ-CZ2 3.61Å; P1761-W1765 PolarHBondContact O-N 3.38Å; Y1762-W1765 PolarHBondContact O-N 2.9Å; W1765-K1768 CarbonylContact O-C 3.29Å; W1765-K1768 PolarHBondContact O-N 3.14Å; W1765-S1769 VanDerWaalsContact O-CA 3.32Å; W1765-S1769 WeakPolarHBondContact O-CA 3.31Å; W1765-S1769 WeakPolarHBondContact O-CB 3.26Å; W1765-S1769 PolarHBondContact O-N 3.11Å; W1765-Y1772 HydrophobicContact CZ3-CD2 4.2Å; W1765-Y1772 HydrophobicContact CZ3-CG 4.09Å; W1765-L1775 HydrophobicContact CH2-CB 4.21Å; W1765-L1775 HydrophobicContact CH2-CD2 3.82Å; W1765-L1775 HydrophobicContact CH2-CG 3.85Å; W1765-L1775 HydrophobicContact CZ3-CB 4.15Å; W1765-L1775 HydrophobicContact CZ3-CD2 4.4Å; W1765-L1775 HydrophobicContact CZ3-CG 4.3Å; W1765-A1779 HydrophobicContact CD2-CB 3.57Å; W1765-A1779 HydrophobicContact CE3-CB 4.19Å; W1765-A1779 HydrophobicContact CG-CB 3.82Å; W1765-A1779 HydrophobicContact CH2-CB 4.37Å; W1765-A1779 HydrophobicContact CZ2-CB 3.78Å; W1765-M1780 HydrophobicContact CB-CE 3.48Å; W1765-M1780 VanDerWaalsContact CB-CE 3.48Å; W1765-M1780 HydrophobicContact CG-CE 4.02Å |
| 1766 | Q | 84.4 | Confident | 87.4 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -49.8 | 175 | 179.4 | 171.1 | 74 | 0 | 0 | 111.1 | S1343 Y1762 Q1763 W1764 K1768 S1769 | S1343-Q1766 PolarHBondContact O-NE2 3.29Å; Y1762-Q1766 VanDerWaalsContact O-CB 3.29Å; Y1762-Q1766 WeakPolarHBondContact O-CB 3.37Å; Y1762-Q1766 PolarHBondContact O-N 2.99Å; Q1763-Q1766 PolarHBondContact O-N 3.46Å; W1764-Q1766 PolarHBondContact O-N 3.46Å; Q1766-K1768 PolarHBondContact O-N 3.05Å; Q1766-S1769 VanDerWaalsContact O-CB 3.31Å; Q1766-S1769 WeakPolarHBondContact O-CB 3.44Å; Q1766-S1769 PolarHBondContact O-N 2.96Å; Q1766-S1769 VanDerWaalsContact O-N 3.17Å; Q1766-S1769 PolarHBondContact O-OG 2.83Å |
| 1767 | T | 88.5 | Confident | 87.2 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 61% | 0.607 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59 | -35.3 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | Q1763 W1764 | Q1763-T1767 WeakPolarHBondContact O-CB 3.26Å; Q1763-T1767 PolarHBondContact O-N 3Å; Q1763-T1767 PolarHBondContact O-OG1 3.48Å; W1764-T1767 PolarHBondContact O-N 2.83Å |
| 1768 | K | 90.5 | Very high | 87.3 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 21% | 0.213 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -90.8 | -7.6 | -179.6 | -66.2 | -76 | -160.9 | 161.1 | 0 | 114.2 | E1752 W1764 W1765 Q1766 S1770 N1771 Y1772 | E1752-K1768 IonicContact OE1-NZ 3.67Å; E1752-K1768 PolarHBondContact OE1-NZ 2.95Å; E1752-K1768 IonicContact OE2-NZ 2.7Å; E1752-K1768 PolarHBondContact OE2-NZ 3.19Å; W1764-K1768 HydrophobicContact CD2-CG 3.93Å; W1764-K1768 HydrophobicContact CE3-CB 4.29Å; W1764-K1768 HydrophobicContact CE3-CG 4.01Å; W1764-K1768 HydrophobicContact CH2-CB 4.45Å; W1764-K1768 HydrophobicContact CH2-CD 4.49Å; W1764-K1768 HydrophobicContact CH2-CG 4Å; W1764-K1768 HydrophobicContact CZ2-CD 4.28Å; W1764-K1768 HydrophobicContact CZ2-CG 3.95Å; W1764-K1768 HydrophobicContact CZ3-CB 4.17Å; W1764-K1768 HydrophobicContact CZ3-CG 4.04Å; W1764-K1768 VanDerWaalsContact O-CB 3.24Å; W1764-K1768 WeakPolarHBondContact O-CB 3.48Å; W1764-K1768 WeakPolarHBondContact O-CG 3.17Å; W1764-K1768 PolarHBondContact O-N 3.2Å; W1765-K1768 CarbonylContact O-C 3.29Å; W1765-K1768 PolarHBondContact O-N 3.14Å; Q1766-K1768 PolarHBondContact O-N 3.05Å; K1768-S1770 VanDerWaalsContact C-N 3.3Å; K1768-S1770 PolarHBondContact O-N 2.9Å; K1768-S1770 VanDerWaalsContact O-N 3.17Å; K1768-N1771 WeakPolarHBondContact O-CA 3.44Å; K1768-N1771 WeakPolarHBondContact O-CB 3.46Å; K1768-N1771 PolarHBondContact O-N 3.07Å; K1768-Y1772 HydrophobicContact CB-CD2 3.89Å; K1768-Y1772 HydrophobicContact CB-CE2 4.13Å; K1768-Y1772 HydrophobicContact CD-CE2 4.36Å; K1768-Y1772 WeakPolarHBondContact O-CD2 3.27Å; K1768-Y1772 PolarHBondContact O-N 3.18Å |
| 1769 | S | 85.4 | Confident | 87.6 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -39.5 | -169.7 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | W1765 Q1766 N1771 Y1772 P1773 | W1765-S1769 VanDerWaalsContact O-CA 3.32Å; W1765-S1769 WeakPolarHBondContact O-CA 3.31Å; W1765-S1769 WeakPolarHBondContact O-CB 3.26Å; W1765-S1769 PolarHBondContact O-N 3.11Å; Q1766-S1769 VanDerWaalsContact O-CB 3.31Å; Q1766-S1769 WeakPolarHBondContact O-CB 3.44Å; Q1766-S1769 PolarHBondContact O-N 2.96Å; Q1766-S1769 VanDerWaalsContact O-N 3.17Å; Q1766-S1769 PolarHBondContact O-OG 2.83Å; S1769-N1771 PolarHBondContact O-N 3.45Å; S1769-Y1772 CarbonylContact O-C 3.41Å; S1769-Y1772 PolarHBondContact O-N 3.4Å; S1769-P1773 WeakPolarHBondContact O-CA 3.32Å; S1769-P1773 VanDerWaalsContact O-N 3.17Å |
| 1770 | S | 84.1 | Confident | 87.6 | Confident | 100 Ų | 100 | 33.5 Ų | 33.5 | 70% | 0.699 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -23.6 | 175.7 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | K1768 | K1768-S1770 VanDerWaalsContact C-N 3.3Å; K1768-S1770 PolarHBondContact O-N 2.9Å; K1768-S1770 VanDerWaalsContact O-N 3.17Å |
| 1771 | N | 87.1 | Confident | 87.6 | Confident | 81 Ų | 81 | 32.6 Ų | 32.6 | 43% | 0.433 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -27.2 | 173.1 | -58 | -79.1 | 0 | 0 | 0 | 111.9 | R1748 K1768 S1769 P1773 | R1748-N1771 PolarHBondContact NH1-O 3.02Å; K1768-N1771 WeakPolarHBondContact O-CA 3.44Å; K1768-N1771 WeakPolarHBondContact O-CB 3.46Å; K1768-N1771 PolarHBondContact O-N 3.07Å; S1769-N1771 PolarHBondContact O-N 3.45Å; N1771-P1773 VanDerWaalsContact C-CD 3.45Å; N1771-P1773 WeakPolarHBondContact O-CD 3.46Å |
| 1772 | Y | 89.7 | Confident | 87.7 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | trans | -127.9 | 62.2 | -173.4 | -56.6 | -74.4 | 0 | 0 | 0 | 111.2 | E1745 R1748 E1752 W1764 W1765 K1768 S1769 N1774 L1775 S1776 | E1745-Y1772 HydrophobicContact CB-CD1 4.15Å; E1745-Y1772 HydrophobicContact CG-CD1 4.44Å; E1745-Y1772 WeakPolarHBondContact O-CE1 3.25Å; E1745-Y1772 VanDerWaalsContact OE2-CA 3.23Å; E1745-Y1772 WeakPolarHBondContact OE2-CA 3.44Å; R1748-Y1772 HydrophobicContact CB-CE1 3.61Å; E1752-Y1772 VanDerWaalsContact CG-OH 3.25Å; E1752-Y1772 WeakPolarHBondContact CG-OH 3.42Å; E1752-Y1772 WeakPolarHBondContact OE1-CE2 3.36Å; E1752-Y1772 PolarHBondContact OE1-OH 2.98Å; W1764-Y1772 HydrophobicContact CH2-CE2 4.4Å; W1765-Y1772 HydrophobicContact CZ3-CD2 4.2Å; W1765-Y1772 HydrophobicContact CZ3-CG 4.09Å; K1768-Y1772 HydrophobicContact CB-CD2 3.89Å; K1768-Y1772 HydrophobicContact CB-CE2 4.13Å; K1768-Y1772 HydrophobicContact CD-CE2 4.36Å; K1768-Y1772 WeakPolarHBondContact O-CD2 3.27Å; K1768-Y1772 PolarHBondContact O-N 3.18Å; S1769-Y1772 CarbonylContact O-C 3.41Å; S1769-Y1772 PolarHBondContact O-N 3.4Å; Y1772-N1774 PolarHBondContact O-N 2.93Å; Y1772-N1774 VanDerWaalsContact O-N 3.16Å; Y1772-L1775 HydrophobicContact CD1-CD2 4.45Å; Y1772-L1775 PolarHBondContact O-N 3.32Å; Y1772-S1776 WeakPolarHBondContact O-CB 3.46Å; Y1772-S1776 PolarHBondContact O-N 3.25Å; Y1772-S1776 PolarHBondContact O-OG 3.43Å | ||
| 1773 | P | 83.1 | Confident | 87.8 | Confident | 61 Ų | 61 | 32.2 Ų | 32.2 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.7 | -168.9 | 25.8 | -35.9 | 0 | 0 | 0 | 114.4 | E1745 S1769 N1771 L1777 | E1745-P1773 WeakPolarHBondContact OE1-CD 3.47Å; S1769-P1773 WeakPolarHBondContact O-CA 3.32Å; S1769-P1773 VanDerWaalsContact O-N 3.17Å; N1771-P1773 VanDerWaalsContact C-CD 3.45Å; N1771-P1773 WeakPolarHBondContact O-CD 3.46Å; P1773-L1777 WeakPolarHBondContact O-CD1 3.49Å; P1773-L1777 WeakPolarHBondContact O-CG 3.37Å |
| 1774 | N | 83.9 | Confident | 87.9 | Confident | 18 Ų | 18 | 28.7 Ų | 28.7 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -42 | 175 | -60.8 | -79.2 | 0 | 0 | 0 | 111.1 | M1686 F1687 E1745 Y1772 S1776 L1777 L1778 | M1686-N1774 HydrophobicContact SD-CB 4.43Å; F1687-N1774 WeakPolarHBondContact CZ-ND2 3.35Å; E1745-N1774 PolarHBondContact OE1-N 3.3Å; E1745-N1774 PolarHBondContact OE1-ND2 3.2Å; E1745-N1774 PolarHBondContact OE2-N 3.44Å; Y1772-N1774 PolarHBondContact O-N 2.93Å; Y1772-N1774 VanDerWaalsContact O-N 3.16Å; N1774-S1776 VanDerWaalsContact C-N 3.27Å; N1774-S1776 PolarHBondContact O-N 3.25Å; N1774-L1777 WeakPolarHBondContact O-CB 3.48Å; N1774-L1777 PolarHBondContact O-N 3.48Å; N1774-L1777 VanDerWaalsContact O-N 3.16Å; N1774-L1778 PolarHBondContact O-N 3.28Å |
| 1775 | L | 90 | Very high | 88 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.9 | -29.6 | -178 | -150 | 65.6 | 0 | 0 | 0 | 112.4 | L1660 L1679 V1683 E1745 V1746 Y1749 W1765 Y1772 L1778 A1779 | L1660-L1775 HydrophobicContact CD2-CD1 3.99Å; L1660-L1775 HydrophobicContact CD2-CG 3.88Å; L1679-L1775 HydrophobicContact CD1-CD1 3.91Å; L1679-L1775 HydrophobicContact CD2-CD1 4.43Å; L1679-L1775 HydrophobicContact CG-CD1 4.36Å; V1683-L1775 HydrophobicContact CG2-CD1 3.61Å; E1745-L1775 HydrophobicContact CB-CB 4.29Å; E1745-L1775 HydrophobicContact CB-CD2 4.48Å; E1745-L1775 PolarHBondContact OE2-N 3.26Å; V1746-L1775 HydrophobicContact CG2-CD1 3.84Å; V1746-L1775 HydrophobicContact CG2-CD2 4.48Å; Y1749-L1775 VanDerWaalsContact CB-CD2 3.49Å; Y1749-L1775 HydrophobicContact CD1-CD2 3.9Å; Y1749-L1775 HydrophobicContact CG-CD2 3.73Å; W1765-L1775 HydrophobicContact CH2-CB 4.21Å; W1765-L1775 HydrophobicContact CH2-CD2 3.82Å; W1765-L1775 HydrophobicContact CH2-CG 3.85Å; W1765-L1775 HydrophobicContact CZ3-CB 4.15Å; W1765-L1775 HydrophobicContact CZ3-CD2 4.4Å; W1765-L1775 HydrophobicContact CZ3-CG 4.3Å; Y1772-L1775 HydrophobicContact CD1-CD2 4.45Å; Y1772-L1775 PolarHBondContact O-N 3.32Å; L1775-L1778 HydrophobicContact CD1-CD2 4.48Å; L1775-A1779 VanDerWaalsContact O-CB 3.25Å; L1775-A1779 WeakPolarHBondContact O-CB 3.5Å; L1775-A1779 PolarHBondContact O-N 3.2Å |
| 1776 | S | 88.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.1 | -29.3 | 173.8 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | Y1772 N1774 M1780 | Y1772-S1776 WeakPolarHBondContact O-CB 3.46Å; Y1772-S1776 PolarHBondContact O-N 3.25Å; Y1772-S1776 PolarHBondContact O-OG 3.43Å; N1774-S1776 VanDerWaalsContact C-N 3.27Å; N1774-S1776 PolarHBondContact O-N 3.25Å; S1776-M1780 WeakPolarHBondContact O-CG 3.25Å; S1776-M1780 PolarHBondContact O-N 2.85Å |
| 1777 | L | 83.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65 | -51.3 | 171 | -57.3 | 175.7 | 0 | 0 | 0 | 110.1 | F1297 N1298 V1441 M1686 P1773 N1774 A1779 M1780 Y1781 | F1297-L1777 WeakPolarHBondContact O-CD2 3.06Å; N1298-L1777 WeakPolarHBondContact OD1-CA 3.23Å; N1298-L1777 WeakPolarHBondContact OD1-CD2 3.05Å; V1441-L1777 HydrophobicContact CG2-CB 4.49Å; M1686-L1777 HydrophobicContact CE-CB 4.37Å; M1686-L1777 HydrophobicContact CE-CD1 4.08Å; P1773-L1777 WeakPolarHBondContact O-CD1 3.49Å; P1773-L1777 WeakPolarHBondContact O-CG 3.37Å; N1774-L1777 WeakPolarHBondContact O-CB 3.48Å; N1774-L1777 PolarHBondContact O-N 3.48Å; N1774-L1777 VanDerWaalsContact O-N 3.16Å; L1777-A1779 VanDerWaalsContact C-N 3.29Å; L1777-A1779 PolarHBondContact O-N 2.82Å; L1777-M1780 PolarHBondContact O-N 3.1Å; L1777-Y1781 PolarHBondContact O-N 2.93Å |
| 1778 | L | 87.6 | Confident | 88 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 177.9 | -169.8 | 68.7 | 0 | 0 | 0 | 111.4 | W1444 L1660 L1679 K1682 V1683 N1774 L1775 Y1781 Y1782 | W1444-L1778 HydrophobicContact CE3-CD1 4.28Å; W1444-L1778 HydrophobicContact CH2-CB 4.18Å; W1444-L1778 HydrophobicContact CH2-CD1 3.3Å; W1444-L1778 HydrophobicContact CH2-CG 4.33Å; W1444-L1778 HydrophobicContact CZ2-CD1 3.7Å; W1444-L1778 HydrophobicContact CZ3-CD1 3.62Å; L1660-L1778 HydrophobicContact CD1-CB 4.37Å; L1660-L1778 HydrophobicContact CD1-CD2 3.96Å; L1660-L1778 HydrophobicContact CD1-CG 3.77Å; L1679-L1778 HydrophobicContact CD1-CD2 3.4Å; K1682-L1778 HydrophobicContact CB-CD2 4.45Å; V1683-L1778 HydrophobicContact CG2-CD2 3.97Å; N1774-L1778 PolarHBondContact O-N 3.28Å; L1775-L1778 HydrophobicContact CD1-CD2 4.48Å; L1778-Y1781 PolarHBondContact O-N 2.86Å; L1778-Y1782 HydrophobicContact CD1-CD2 4.04Å; L1778-Y1782 HydrophobicContact CD1-CE2 3.76Å; L1778-Y1782 HydrophobicContact CG-CD2 3.98Å; L1778-Y1782 HydrophobicContact CG-CE2 4.06Å; L1778-Y1782 WeakPolarHBondContact O-CD2 3.41Å; L1778-Y1782 PolarHBondContact O-N 3.08Å |
| 1779 | A | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1660 W1765 L1775 L1777 Y1782 L1783 | L1660-A1779 HydrophobicContact CB-CB 4.28Å; L1660-A1779 HydrophobicContact CD2-CB 4.43Å; W1765-A1779 HydrophobicContact CD2-CB 3.57Å; W1765-A1779 HydrophobicContact CE3-CB 4.19Å; W1765-A1779 HydrophobicContact CG-CB 3.82Å; W1765-A1779 HydrophobicContact CH2-CB 4.37Å; W1765-A1779 HydrophobicContact CZ2-CB 3.78Å; L1775-A1779 VanDerWaalsContact O-CB 3.25Å; L1775-A1779 WeakPolarHBondContact O-CB 3.5Å; L1775-A1779 PolarHBondContact O-N 3.2Å; L1777-A1779 VanDerWaalsContact C-N 3.29Å; L1777-A1779 PolarHBondContact O-N 2.82Å; A1779-Y1782 PolarHBondContact O-N 3.04Å; A1779-L1783 VanDerWaalsContact O-CB 3.28Å; A1779-L1783 WeakPolarHBondContact O-CB 3.5Å; A1779-L1783 VanDerWaalsContact O-CG 3.28Å; A1779-L1783 WeakPolarHBondContact O-CG 3.24Å; A1779-L1783 PolarHBondContact O-N 2.96Å |
| 1780 | M | 87.2 | Confident | 86.9 | Confident | 13 Ų | 13 | 16.2 Ų | 16.2 | 6% | 0.064 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 174.2 | -69 | -55.9 | 86.4 | 0 | 0 | 111.7 | N1298 A1300 Y1762 W1765 S1776 L1777 Y1782 L1783 A1784 | N1298-M1780 VanDerWaalsContact ND2-CG 3.31Å; N1298-M1780 WeakPolarHBondContact ND2-CG 3.3Å; A1300-M1780 VanDerWaalsContact CB-C 3.48Å; A1300-M1780 HydrophobicContact CB-CB 3.81Å; A1300-M1780 WeakPolarHBondContact CB-O 3.19Å; Y1762-M1780 HydrophobicContact CD1-CE 3.8Å; Y1762-M1780 HydrophobicContact CD1-SD 3.76Å; Y1762-M1780 HydrophobicContact CE1-SD 4.47Å; W1765-M1780 HydrophobicContact CB-CE 3.48Å; W1765-M1780 VanDerWaalsContact CB-CE 3.48Å; W1765-M1780 HydrophobicContact CG-CE 4.02Å; S1776-M1780 WeakPolarHBondContact O-CG 3.25Å; S1776-M1780 PolarHBondContact O-N 2.85Å; L1777-M1780 PolarHBondContact O-N 3.1Å; M1780-Y1782 VanDerWaalsContact C-N 3.34Å; M1780-Y1782 PolarHBondContact O-N 3.21Å; M1780-L1783 HydrophobicContact CE-CD1 3.99Å; M1780-L1783 PolarHBondContact O-N 2.66Å; M1780-A1784 VanDerWaalsContact O-CB 3.27Å; M1780-A1784 WeakPolarHBondContact O-CB 3.49Å; M1780-A1784 PolarHBondContact O-N 2.73Å |
| 1781 | Y | 87.6 | Confident | 85.9 | Confident | 12 Ų | 12 | 13 Ų | 13 | 5% | 0.047 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | 174.2 | 163.2 | -87.5 | 0 | 0 | 0 | 111.8 | W1444 P1445 P1447 L1777 L1778 | W1444-Y1781 HydrophobicContact CB-CD2 4.49Å; W1444-Y1781 HydrophobicContact CB-CE2 3.81Å; W1444-Y1781 HydrophobicContact CE3-CD1 4Å; W1444-Y1781 AromaticContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CD2 3.8Å; W1444-Y1781 HydrophobicContact CE3-CE1 4.41Å; W1444-Y1781 HydrophobicContact CE3-CE2 4.19Å; W1444-Y1781 AromaticContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CE3-CG 3.7Å; W1444-Y1781 HydrophobicContact CZ3-CD1 4.39Å; W1444-Y1781 HydrophobicContact CZ3-CG 4.08Å; P1445-Y1781 PolarHBondContact O-OH 3.4Å; P1447-Y1781 HydrophobicContact CG-CE2 4.17Å; L1777-Y1781 PolarHBondContact O-N 2.93Å; L1778-Y1781 PolarHBondContact O-N 2.86Å |
| 1782 | Y | 91.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -75.7 | -32.1 | -177.4 | -89 | -66.8 | 0 | 0 | 0 | 114.7 | T1653 I1656 A1657 L1660 K1682 L1778 A1779 M1780 I1785 | T1653-Y1782 HydrophobicContact CG2-CD1 4.34Å; T1653-Y1782 HydrophobicContact CG2-CE1 3.77Å; T1653-Y1782 WeakPolarHBondContact O-CE1 3.12Å; I1656-Y1782 HydrophobicContact CB-CE1 4.19Å; I1656-Y1782 HydrophobicContact CB-CE2 4.11Å; I1656-Y1782 HydrophobicContact CG2-CD2 3.82Å; I1656-Y1782 HydrophobicContact CG2-CE1 4.26Å; I1656-Y1782 HydrophobicContact CG2-CE2 3.33Å; I1656-Y1782 HydrophobicContact CG2-CG 4.47Å; A1657-Y1782 HydrophobicContact CB-CD1 3.79Å; A1657-Y1782 HydrophobicContact CB-CG 4.28Å; L1660-Y1782 HydrophobicContact CD1-CD2 3.56Å; L1660-Y1782 HydrophobicContact CD1-CE2 4.27Å; L1660-Y1782 HydrophobicContact CD1-CG 4.22Å; K1682-Y1782 PolarHBondContact NZ-OH 3.08Å; L1778-Y1782 HydrophobicContact CD1-CD2 4.04Å; L1778-Y1782 HydrophobicContact CD1-CE2 3.76Å; L1778-Y1782 HydrophobicContact CG-CD2 3.98Å; L1778-Y1782 HydrophobicContact CG-CE2 4.06Å; L1778-Y1782 WeakPolarHBondContact O-CD2 3.41Å; L1778-Y1782 PolarHBondContact O-N 3.08Å; A1779-Y1782 PolarHBondContact O-N 3.04Å; M1780-Y1782 VanDerWaalsContact C-N 3.34Å; M1780-Y1782 PolarHBondContact O-N 3.21Å; Y1782-I1785 HydrophobicContact CD1-CD1 3.99Å; Y1782-I1785 WeakPolarHBondContact O-CG1 3.43Å |
| 1783 | L | 91.3 | Very high | 83.1 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -76.4 | -30.2 | 176.6 | -71.3 | 168.7 | 0 | 0 | 0 | 111.6 | T1603 D1661 P1761 Y1762 A1779 M1780 I1785 | T1603-L1783 HydrophobicContact CG2-CD2 4.48Å; T1603-L1783 WeakPolarHBondContact CG2-O 3.26Å; D1661-L1783 HydrophobicContact CB-CD2 4.18Å; P1761-L1783 HydrophobicContact CB-CD1 3.98Å; P1761-L1783 HydrophobicContact CB-CD2 4.34Å; P1761-L1783 HydrophobicContact CG-CD1 4.37Å; P1761-L1783 HydrophobicContact CG-CD2 4.27Å; Y1762-L1783 HydrophobicContact CD1-CB 4.22Å; Y1762-L1783 HydrophobicContact CD1-CD1 4.49Å; Y1762-L1783 HydrophobicContact CE1-CB 3.56Å; Y1762-L1783 VanDerWaalsContact OH-C 3.24Å; Y1762-L1783 PolarHBondContact OH-O 3.42Å; A1779-L1783 VanDerWaalsContact O-CB 3.28Å; A1779-L1783 WeakPolarHBondContact O-CB 3.5Å; A1779-L1783 VanDerWaalsContact O-CG 3.28Å; A1779-L1783 WeakPolarHBondContact O-CG 3.24Å; A1779-L1783 PolarHBondContact O-N 2.96Å; M1780-L1783 HydrophobicContact CE-CD1 3.99Å; M1780-L1783 PolarHBondContact O-N 2.66Å; L1783-I1785 PolarHBondContact O-N 3.36Å |
| 1784 | A | 89.3 | Confident | 81.9 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 2% | 0.017 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -7.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1300 S1302 M1780 S1786 | A1300-A1784 HydrophobicContact CB-CB 4.18Å; S1302-A1784 WeakPolarHBondContact CB-O 3.39Å; S1302-A1784 PolarHBondContact OG-O 2.94Å; M1780-A1784 VanDerWaalsContact O-CB 3.27Å; M1780-A1784 WeakPolarHBondContact O-CB 3.49Å; M1780-A1784 PolarHBondContact O-N 2.73Å; A1784-S1786 PolarHBondContact O-N 3.24Å |
| 1785 | I | 91.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -69.4 | 122.3 | 168.2 | -54.8 | -179.8 | 0 | 0 | 0 | 108.5 | P1447 I1449 T1603 G1604 T1653 Y1782 L1783 | P1447-I1785 HydrophobicContact CB-CD1 4.1Å; P1447-I1785 HydrophobicContact CB-CG1 3.83Å; P1447-I1785 HydrophobicContact CG-CD1 4.07Å; P1447-I1785 HydrophobicContact CG-CG1 3.85Å; I1449-I1785 HydrophobicContact CD1-CG2 3.86Å; I1449-I1785 HydrophobicContact CG1-CG2 4.11Å; T1603-I1785 CarbonylContact C-O 3.53Å; T1603-I1785 WeakPolarHBondContact CA-O 3.48Å; G1604-I1785 PolarHBondContact N-O 3.36Å; T1653-I1785 HydrophobicContact CG2-CD1 3.76Å; Y1782-I1785 HydrophobicContact CD1-CD1 3.99Å; Y1782-I1785 WeakPolarHBondContact O-CG1 3.43Å; L1783-I1785 PolarHBondContact O-N 3.36Å |
| 1786 | S | 89.5 | Confident | 78.6 | Confident | 6 Ų | 6 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 157.2 | 173.9 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | A1784 I1788 | A1784-S1786 PolarHBondContact O-N 3.24Å; S1786-I1788 VanDerWaalsContact C-N 3.34Å; S1786-I1788 WeakPolarHBondContact CB-O 3.34Å; S1786-I1788 PolarHBondContact OG-N 2.86Å; S1786-I1788 PolarHBondContact OG-O 3.09Å |
| 1787 | L | 90.1 | Very high | 76.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -76.3 | -24.4 | 166.3 | -175.8 | 56.9 | 0 | 0 | 0 | 112.5 | L1473 I1595 L1602 M1606 I1607 I1610 | L1473-L1787 HydrophobicContact CB-CD1 4.32Å; L1473-L1787 HydrophobicContact CD2-CD1 3.84Å; I1595-L1787 HydrophobicContact CD1-CD2 4.4Å; I1595-L1787 HydrophobicContact CG1-CD2 4.1Å; I1595-L1787 HydrophobicContact CG2-CD2 4.01Å; L1602-L1787 HydrophobicContact CB-CB 3.99Å; L1602-L1787 HydrophobicContact CB-CD2 4.07Å; L1602-L1787 HydrophobicContact CD2-CD2 3.97Å; L1602-L1787 HydrophobicContact CG-CD2 4.43Å; M1606-L1787 HydrophobicContact CB-CD1 4.21Å; M1606-L1787 HydrophobicContact CB-CD2 4.49Å; M1606-L1787 HydrophobicContact SD-CD2 4.38Å; I1607-L1787 HydrophobicContact CB-CD1 4.47Å; I1607-L1787 HydrophobicContact CD1-CD1 4.33Å; I1607-L1787 HydrophobicContact CG1-CD1 3.39Å; I1610-L1787 HydrophobicContact CD1-CD1 4.46Å; I1610-L1787 HydrophobicContact CD1-CD2 4.48Å |
| 1788 | I | 85.7 | Confident | 74.2 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -143.7 | 147.4 | -164.9 | 54.5 | 179.7 | 0 | 0 | 0 | 111.6 | V1474 L1602 S1786 I1790 P1792 L1795 | V1474-I1788 HydrophobicContact CB-CG2 4.24Å; V1474-I1788 HydrophobicContact CG2-CG2 3.59Å; L1602-I1788 HydrophobicContact CD1-CD1 4.14Å; S1786-I1788 VanDerWaalsContact C-N 3.34Å; S1786-I1788 WeakPolarHBondContact CB-O 3.34Å; S1786-I1788 PolarHBondContact OG-N 2.86Å; S1786-I1788 PolarHBondContact OG-O 3.09Å; I1788-I1790 VanDerWaalsContact CD1-O 3.28Å; I1788-I1790 WeakPolarHBondContact CD1-O 3.29Å; I1788-I1790 WeakPolarHBondContact CG1-O 3.38Å; I1788-P1792 HydrophobicContact CD1-CG 4.12Å; I1788-L1795 HydrophobicContact CD1-CD1 3.45Å; I1788-L1795 VanDerWaalsContact CD1-CD1 3.45Å; I1788-L1795 HydrophobicContact CD1-CG 4.36Å; I1788-L1795 HydrophobicContact CG2-CD1 4.39Å | ||
| 1789 | C | 84 | Confident | 71.7 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -92.4 | -16.4 | 170.9 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | E1306 I1449 N1451 C1472 | E1306-C1789 HydrophobicContact CB-CB 4.49Å; I1449-C1789 HydrophobicContact CG2-CB 4.27Å; I1449-C1789 WeakPolarHBondContact O-CB 3.42Å; N1451-C1789 PolarHBondContact N-SG 2.93Å; N1451-C1789 VanDerWaalsContact N-SG 3.4Å; C1472-C1789 HydrophobicContact CB-CB 4.23Å; C1472-C1789 VanDerWaalsContact CB-SG 3.54Å; C1472-C1789 PolarHBondContact SG-N 3.15Å; C1472-C1789 VanDerWaalsContact SG-N 3.36Å |
| 1790 | I | 68.3 | Low | 69.2 | Low | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -88.8 | 146.7 | 177.4 | -52.6 | 175 | 0 | 0 | 0 | 108.2 | I1788 R1794 L1795 L1834 | I1788-I1790 VanDerWaalsContact CD1-O 3.28Å; I1788-I1790 WeakPolarHBondContact CD1-O 3.29Å; I1788-I1790 WeakPolarHBondContact CG1-O 3.38Å; I1790-R1794 HydrophobicContact CG2-CB 3.92Å; I1790-L1795 HydrophobicContact CB-CD2 4.28Å; I1790-L1795 HydrophobicContact CG2-CD2 4.11Å; I1790-L1834 HydrophobicContact CD1-CD1 4.17Å |
| 1791 | T | 63.6 | Low | 66.4 | Low | 32 Ų | 32 | 39 Ų | 39 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | trans | -71.8 | 144.2 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | E1793 R1794 L1795 H1865 | T1791-E1793 PolarHBondContact O-N 3.18Å; T1791-E1793 VanDerWaalsContact O-N 3.11Å; T1791-R1794 PolarHBondContact O-N 2.72Å; T1791-L1795 PolarHBondContact O-N 3.43Å; T1791-H1865 VanDerWaalsContact CG2-CE1 3.5Å; T1791-H1865 WeakPolarHBondContact CG2-CE1 3.29Å; T1791-H1865 WeakPolarHBondContact CG2-ND1 3.13Å; T1791-H1865 PolarHBondContact OG1-CE1 3.29Å; T1791-H1865 VanDerWaalsContact OG1-CE1 3.24Å; T1791-H1865 PolarHBondContact OG1-ND1 3.19Å | ||
| 1792 | P | 58.9 | Low | 63.7 | Low | 61 Ų | 61 | 48 Ų | 48 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.5 | 176.7 | -23.8 | 31.2 | 0 | 0 | 0 | 114.3 | I1788 R1794 L1795 | I1788-P1792 HydrophobicContact CD1-CG 4.12Å; P1792-R1794 VanDerWaalsContact C-N 3.29Å; P1792-R1794 PolarHBondContact O-N 3.48Å; P1792-L1795 PolarHBondContact O-N 2.93Å |
| 1793 | E | 57.9 | Low | 60.6 | Low | 66 Ų | 66 | 51.6 Ų | 51.6 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29.8 | 176.8 | -67.7 | 174.6 | 126.2 | 0 | 0 | 112.9 | T1791 W1864 W1867 | T1791-E1793 PolarHBondContact O-N 3.18Å; T1791-E1793 VanDerWaalsContact O-N 3.11Å; E1793-W1864 HydrophobicContact CB-CH2 4.02Å; E1793-W1867 PolarHBondContact OE1-NE1 3.23Å |
| 1794 | R | 59.4 | Low | 57.6 | Low | 13 Ų | 13 | 58.3 Ų | 58.3 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -32 | 171.7 | -83.2 | 172.8 | 60.6 | -146.3 | -8.9 | 112 | E1306 I1790 T1791 P1792 K1796 P1839 W1864 | E1306-R1794 IonicContact OE1-CZ 3.39Å; E1306-R1794 IonicContact OE1-NH1 3.71Å; E1306-R1794 PolarHBondContact OE1-NH1 3.07Å; E1306-R1794 IonicContact OE1-NH2 3.91Å; E1306-R1794 PolarHBondContact OE1-NH2 3.46Å; E1306-R1794 IonicContact OE2-CZ 3.98Å; E1306-R1794 IonicContact OE2-NH1 2.69Å; E1306-R1794 PolarHBondContact OE2-NH1 3.33Å; I1790-R1794 HydrophobicContact CG2-CB 3.92Å; T1791-R1794 PolarHBondContact O-N 2.72Å; P1792-R1794 VanDerWaalsContact C-N 3.29Å; P1792-R1794 PolarHBondContact O-N 3.48Å; R1794-K1796 PolarHBondContact O-N 2.91Å; R1794-K1796 VanDerWaalsContact O-N 3.16Å; R1794-P1839 HydrophobicContact CB-CG 3.9Å; R1794-P1839 HydrophobicContact CG-CG 4.48Å; R1794-P1839 WeakPolarHBondContact O-CD 3.28Å; R1794-P1839 WeakPolarHBondContact O-CG 3.42Å; R1794-W1864 HydrophobicContact CG-CH2 3.69Å; R1794-W1864 HydrophobicContact CG-CZ3 3.88Å |
| 1795 | L | 52.5 | Low | 54.8 | Low | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -67 | -11 | 177.8 | -58.9 | -169.6 | 0 | 0 | 0 | 114.7 | V1474 I1595 H1596 I1788 I1790 T1791 P1792 S1797 L1838 | V1474-L1795 HydrophobicContact CG1-CD2 4.39Å; I1595-L1795 HydrophobicContact CG2-CD1 4.46Å; H1596-L1795 PolarHBondContact CE1-O 3.26Å; H1596-L1795 PolarHBondContact ND1-O 2.96Å; H1596-L1795 VanDerWaalsContact ND1-O 3.17Å; I1788-L1795 HydrophobicContact CD1-CD1 3.45Å; I1788-L1795 VanDerWaalsContact CD1-CD1 3.45Å; I1788-L1795 HydrophobicContact CD1-CG 4.36Å; I1788-L1795 HydrophobicContact CG2-CD1 4.39Å; I1790-L1795 HydrophobicContact CB-CD2 4.28Å; I1790-L1795 HydrophobicContact CG2-CD2 4.11Å; T1791-L1795 PolarHBondContact O-N 3.43Å; P1792-L1795 PolarHBondContact O-N 2.93Å; L1795-S1797 PolarHBondContact O-N 2.68Å; L1795-L1838 HydrophobicContact CD2-CD2 3.58Å |
| 1796 | K | 50.5 | Low | 52.2 | Low | 115 Ų | 115 | 72.9 Ų | 72.9 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -62.8 | 125.1 | 176.3 | -67.4 | 172.1 | -175.6 | 166.8 | 0 | 109.4 | R1794 L1798 | R1794-K1796 PolarHBondContact O-N 2.91Å; R1794-K1796 VanDerWaalsContact O-N 3.16Å; K1796-L1798 PolarHBondContact O-N 3.03Å; K1796-L1798 VanDerWaalsContact O-N 3.12Å |
| 1797 | S | 41.4 | Very low | 49.9 | Very low | 59 Ų | 59 | 75.9 Ų | 75.9 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | trans | -51.3 | 122 | 165.2 | 53.4 | 0 | 0 | 0 | 0 | 108.2 | L1795 D1799 | L1795-S1797 PolarHBondContact O-N 2.68Å; S1797-D1799 PolarHBondContact O-N 2.67Å | ||
| 1798 | L | 38.6 | Very low | 47.6 | Very low | 99 Ų | 99 | 80.8 Ų | 80.8 | 52% | 0.518 | 44% | 0.437 | S | S | . | . | trans | -81.2 | 104.4 | 170 | -172.9 | 121.3 | 0 | 0 | 0 | 106.7 | K1796 H1800 R1849 | K1796-L1798 PolarHBondContact O-N 3.03Å; K1796-L1798 VanDerWaalsContact O-N 3.12Å; L1798-H1800 WeakPolarHBondContact CD2-NE2 3.4Å; L1798-H1800 PolarHBondContact O-N 3.29Å; L1798-R1849 VanDerWaalsContact CD1-NH1 3.27Å | ||
| 1799 | D | 34.4 | Very low | 45.9 | Very low | 128 Ų | 128 | 83.8 Ų | 83.8 | 68% | 0.684 | 46% | 0.456 | S | S | * | . | trans | -61.8 | 79.6 | 178.8 | -64.3 | -16.8 | 0 | 0 | 0 | 110.6 | S1797 S1801 | S1797-D1799 PolarHBondContact O-N 2.67Å; D1799-S1801 PolarHBondContact O-N 2.82Å | ||
| 1800 | H | 38.2 | Very low | 44.2 | Very low | 126 Ų | 126 | 86.5 Ų | 86.5 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | trans | -67.3 | 86.1 | 161.6 | -86.9 | -59.9 | 0 | 0 | 0 | 107.7 | L1798 E1802 R1849 | L1798-H1800 WeakPolarHBondContact CD2-NE2 3.4Å; L1798-H1800 PolarHBondContact O-N 3.29Å; H1800-E1802 PolarHBondContact O-N 2.76Å; H1800-R1849 PolarHBondContact CE1-NH2 3.39Å; H1800-R1849 VanDerWaalsContact CE1-NH2 3.34Å; H1800-R1849 PolarHBondContact NE2-NH2 2.91Å | ||
| 1801 | S | 29.7 | Very low | 43.1 | Very low | 79 Ų | 79 | 89.7 Ų | 89.7 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | trans | -53.4 | 131.1 | 163.6 | 64.4 | 0 | 0 | 0 | 0 | 108.8 | D1799 A1803 | D1799-S1801 PolarHBondContact O-N 2.82Å; S1801-A1803 PolarHBondContact O-N 3.47Å | ||
| 1802 | E | 31 | Very low | 43 | Very low | 200 Ų | 200 | 91.3 Ų | 91.3 | 94% | 0.935 | 49% | 0.491 | S | S | * | . | trans | -70.8 | 78.9 | -175.9 | -65.3 | 177.3 | 130.4 | 0 | 0 | 110.2 | H1800 | H1800-E1802 PolarHBondContact O-N 2.76Š| ||
| 1803 | A | 27.3 | Very low | 43.3 | Very low | 77 Ų | 77 | 89.1 Ų | 89.1 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -108.8 | 80.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1801 | S1801-A1803 PolarHBondContact O-N 3.47Š| ||
| 1804 | N | 26.9 | Very low | 43.6 | Very low | 142 Ų | 142 | 90.5 Ų | 90.5 | 76% | 0.759 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 54.8 | 102.2 | 161.9 | -55.7 | -18.4 | 0 | 0 | 0 | 117.1 | ||
| 1805 | N | 31.8 | Very low | 43.9 | Very low | 126 Ų | 126 | 91.3 Ų | 91.3 | 67% | 0.674 | 49% | 0.491 | S | S | * | . | -179.9 | 148.9 | 113.4 | -87.4 | -26.8 | 0 | 0 | 0 | 111.9 | S1807 | N1805-S1807 PolarHBondContact O-N 3.48Š| |||
| 1806 | Q | 37.3 | Very low | 44.9 | Very low | 183 Ų | 183 | 91.3 Ų | 91.3 | 86% | 0.855 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.7 | -177.1 | -123.3 | 79.9 | -4.5 | 0 | 0 | 115.8 | ||
| 1807 | S | 39.9 | Very low | 45.9 | Very low | 68 Ų | 68 | 87.9 Ų | 87.9 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -6 | -164.1 | 54.7 | 0 | 0 | 0 | 0 | 116.4 | N1805 | N1805-S1807 PolarHBondContact O-N 3.48Š|
| 1808 | I | 41.8 | Very low | 47.3 | Very low | 104 Ų | 104 | 88.4 Ų | 88.4 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.9 | -35.2 | -178.3 | -60.8 | 178.8 | 0 | 0 | 0 | 114.1 | D1810 | I1808-D1810 VanDerWaalsContact C-N 3.34Å; I1808-D1810 PolarHBondContact O-N 3.14Å |
| 1809 | P | 49.7 | Very low | 48.8 | Very low | 66 Ų | 66 | 84.7 Ų | 84.7 | 43% | 0.429 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 177.5 | -27.6 | 36.8 | 0 | 0 | 0 | 113.1 | Y1501 I1811 K1812 L1813 | Y1501-P1809 WeakPolarHBondContact OH-CB 3.48Å; P1809-I1811 VanDerWaalsContact C-N 3.33Å; P1809-I1811 PolarHBondContact O-N 3.32Å; P1809-K1812 WeakPolarHBondContact O-CB 3.49Å; P1809-K1812 PolarHBondContact O-N 3.3Å; P1809-L1813 PolarHBondContact O-N 3.03Å |
| 1810 | D | 48.6 | Very low | 50.9 | Low | 63 Ų | 63 | 78.6 Ų | 78.6 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.2 | -29.6 | -170.5 | -56 | -31.2 | 0 | 0 | 0 | 112.8 | Y1501 I1808 L1813 N1814 | Y1501-D1810 PolarHBondContact OH-OD1 3.43Å; I1808-D1810 VanDerWaalsContact C-N 3.34Å; I1808-D1810 PolarHBondContact O-N 3.14Å; D1810-L1813 PolarHBondContact O-N 2.74Å; D1810-N1814 VanDerWaalsContact O-CB 3.3Å; D1810-N1814 WeakPolarHBondContact O-CB 3.38Å; D1810-N1814 PolarHBondContact O-N 3.09Å; D1810-N1814 PolarHBondContact O-ND2 3.21Å |
| 1811 | I | 46.5 | Very low | 52.2 | Low | 73 Ų | 73 | 75 Ų | 75 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.6 | -60.5 | 174.3 | 0 | 0 | 0 | 110.5 | L1517 V1522 P1809 L1815 | L1517-I1811 HydrophobicContact CD2-CD1 4.15Å; V1522-I1811 HydrophobicContact CG1-CG2 4.15Å; V1522-I1811 HydrophobicContact CG2-CG2 4.48Å; P1809-I1811 VanDerWaalsContact C-N 3.33Å; P1809-I1811 PolarHBondContact O-N 3.32Å; I1811-L1815 PolarHBondContact O-N 2.93Å |
| 1812 | K | 61.5 | Low | 53.7 | Low | 65 Ų | 65 | 72.7 Ų | 72.7 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 172.5 | -70.6 | 177.4 | 177.2 | 172.8 | 0 | 110.9 | A1530 D1533 P1809 N1814 L1815 L1816 | A1530-K1812 HydrophobicContact CB-CB 4.08Å; A1530-K1812 HydrophobicContact CB-CD 4.29Å; A1530-K1812 HydrophobicContact CB-CG 4.34Å; D1533-K1812 IonicContact OD2-NZ 3.74Å; D1533-K1812 PolarHBondContact OD2-NZ 2.93Å; P1809-K1812 WeakPolarHBondContact O-CB 3.49Å; P1809-K1812 PolarHBondContact O-N 3.3Å; K1812-N1814 PolarHBondContact O-N 2.82Å; K1812-L1815 WeakPolarHBondContact O-CB 3.33Å; K1812-L1815 PolarHBondContact O-N 3.31Å; K1812-L1816 WeakPolarHBondContact O-CG 3.4Å; K1812-L1816 PolarHBondContact O-N 2.93Å |
| 1813 | L | 64.6 | Low | 54.5 | Low | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.2 | -35.9 | -177.5 | -163.4 | 107.7 | 0 | 0 | 0 | 112.8 | L1498 Y1501 Q1502 L1534 P1809 D1810 L1815 L1816 T1817 | L1498-L1813 HydrophobicContact CD2-CD1 3.7Å; L1498-L1813 HydrophobicContact CD2-CG 3.79Å; Y1501-L1813 HydrophobicContact CD1-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CD1-CD1 3.41Å; Y1501-L1813 HydrophobicContact CD1-CD2 3.32Å; Y1501-L1813 HydrophobicContact CD1-CG 3.94Å; Y1501-L1813 HydrophobicContact CD2-CD1 3.69Å; Y1501-L1813 HydrophobicContact CE1-CB 4.47Å; Y1501-L1813 HydrophobicContact CE1-CD1 3.7Å; Y1501-L1813 HydrophobicContact CE1-CD2 3.53Å; Y1501-L1813 HydrophobicContact CE1-CG 4.05Å; Y1501-L1813 HydrophobicContact CE2-CD1 3.95Å; Y1501-L1813 HydrophobicContact CG-CD1 3.41Å; Y1501-L1813 VanDerWaalsContact CG-CD1 3.41Å; Y1501-L1813 HydrophobicContact CG-CD2 4.16Å; Y1501-L1813 HydrophobicContact CG-CG 4.4Å; Q1502-L1813 HydrophobicContact CG-CD2 4.35Å; L1534-L1813 HydrophobicContact CD1-CD1 3.99Å; P1809-L1813 PolarHBondContact O-N 3.03Å; D1810-L1813 PolarHBondContact O-N 2.74Å; L1813-L1815 VanDerWaalsContact C-N 3.33Å; L1813-L1815 PolarHBondContact O-N 2.9Å; L1813-L1816 PolarHBondContact O-N 2.75Å; L1813-T1817 VanDerWaalsContact O-CB 3.31Å; L1813-T1817 WeakPolarHBondContact O-CB 3.4Å; L1813-T1817 PolarHBondContact O-N 2.89Å; L1813-T1817 PolarHBondContact O-OG1 3.34Å |
| 1814 | N | 63.2 | Low | 55.8 | Low | 95 Ų | 95 | 74.7 Ų | 74.7 | 51% | 0.508 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 174.2 | -77.4 | -37.4 | 0 | 0 | 0 | 111.6 | D1810 K1812 T1817 S1818 | D1810-N1814 VanDerWaalsContact O-CB 3.3Å; D1810-N1814 WeakPolarHBondContact O-CB 3.38Å; D1810-N1814 PolarHBondContact O-N 3.09Å; D1810-N1814 PolarHBondContact O-ND2 3.21Å; K1812-N1814 PolarHBondContact O-N 2.82Å; N1814-T1817 PolarHBondContact O-N 3.47Å; N1814-S1818 PolarHBondContact O-N 2.88Å |
| 1815 | L | 66.9 | Low | 57.1 | Low | 31 Ų | 31 | 73.2 Ų | 73.2 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 172.2 | -173.8 | 63.4 | 0 | 0 | 0 | 112.1 | V1522 I1811 K1812 L1813 T1817 S1818 I1819 | V1522-L1815 HydrophobicContact CG1-CB 3.8Å; V1522-L1815 HydrophobicContact CG1-CD1 4.33Å; V1522-L1815 HydrophobicContact CG1-CG 4.42Å; I1811-L1815 PolarHBondContact O-N 2.93Å; K1812-L1815 WeakPolarHBondContact O-CB 3.33Å; K1812-L1815 PolarHBondContact O-N 3.31Å; L1813-L1815 VanDerWaalsContact C-N 3.33Å; L1813-L1815 PolarHBondContact O-N 2.9Å; L1815-T1817 VanDerWaalsContact C-N 3.29Å; L1815-T1817 PolarHBondContact O-N 2.88Å; L1815-S1818 WeakPolarHBondContact O-CB 3.49Å; L1815-S1818 PolarHBondContact O-N 2.94Å; L1815-S1818 VanDerWaalsContact O-N 3.14Å; L1815-I1819 HydrophobicContact CD1-CD1 4.18Å; L1815-I1819 HydrophobicContact CD1-CG1 4.37Å; L1815-I1819 HydrophobicContact CD2-CD1 4.33Å; L1815-I1819 HydrophobicContact CG-CD1 3.85Å; L1815-I1819 HydrophobicContact CG-CG1 4.41Å; L1815-I1819 WeakPolarHBondContact O-CG1 3.31Å; L1815-I1819 PolarHBondContact O-N 3.24Å |
| 1816 | L | 73 | Confident | 58.1 | Low | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 174.9 | -66.1 | 177.4 | 0 | 0 | 0 | 111.1 | L1498 A1530 V1531 L1534 K1812 L1813 S1818 I1819 Y1820 | L1498-L1816 HydrophobicContact CD1-CB 4.1Å; L1498-L1816 HydrophobicContact CD2-CB 3.8Å; L1498-L1816 HydrophobicContact CD2-CD1 4.36Å; A1530-L1816 HydrophobicContact CB-CD1 4.01Å; A1530-L1816 HydrophobicContact CB-CD2 4.05Å; A1530-L1816 HydrophobicContact CB-CG 4.08Å; V1531-L1816 HydrophobicContact CG2-CD2 3.62Å; L1534-L1816 HydrophobicContact CB-CD1 4.28Å; L1534-L1816 HydrophobicContact CD2-CD1 4.09Å; K1812-L1816 WeakPolarHBondContact O-CG 3.4Å; K1812-L1816 PolarHBondContact O-N 2.93Å; L1813-L1816 PolarHBondContact O-N 2.75Å; L1816-S1818 VanDerWaalsContact C-N 3.28Å; L1816-S1818 PolarHBondContact O-N 3.47Å; L1816-I1819 PolarHBondContact O-N 3.43Å; L1816-Y1820 HydrophobicContact CB-CD2 4.38Å; L1816-Y1820 HydrophobicContact CD2-CD2 4.16Å; L1816-Y1820 HydrophobicContact CD2-CE2 3.78Å; L1816-Y1820 WeakPolarHBondContact O-CB 3.3Å; L1816-Y1820 WeakPolarHBondContact O-CD2 3.48Å; L1816-Y1820 PolarHBondContact O-N 3.02Å |
| 1817 | T | 72.4 | Confident | 58.6 | Low | 42 Ų | 42 | 68.3 Ų | 68.3 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.5 | -33.9 | 175.6 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | Q1502 L1813 N1814 L1815 G1821 | Q1502-T1817 PolarHBondContact NE2-OG1 3.12Å; L1813-T1817 VanDerWaalsContact O-CB 3.31Å; L1813-T1817 WeakPolarHBondContact O-CB 3.4Å; L1813-T1817 PolarHBondContact O-N 2.89Å; L1813-T1817 PolarHBondContact O-OG1 3.34Å; N1814-T1817 PolarHBondContact O-N 3.47Å; L1815-T1817 VanDerWaalsContact C-N 3.29Å; L1815-T1817 PolarHBondContact O-N 2.88Å; T1817-G1821 WeakPolarHBondContact O-CA 3.46Å; T1817-G1821 PolarHBondContact O-N 3.26Å |
| 1818 | S | 69.5 | Low | 59.2 | Low | 71 Ų | 71 | 66.1 Ų | 66.1 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.6 | -54 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | N1814 L1815 L1816 S1822 | N1814-S1818 PolarHBondContact O-N 2.88Å; L1815-S1818 WeakPolarHBondContact O-CB 3.49Å; L1815-S1818 PolarHBondContact O-N 2.94Å; L1815-S1818 VanDerWaalsContact O-N 3.14Å; L1816-S1818 VanDerWaalsContact C-N 3.28Å; L1816-S1818 PolarHBondContact O-N 3.47Å; S1818-S1822 PolarHBondContact O-N 2.9Å |
| 1819 | I | 71.5 | Confident | 59.6 | Low | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -50.5 | -177.5 | -66.6 | 170.5 | 0 | 0 | 0 | 111.3 | L1815 L1816 F1828 P1829 | L1815-I1819 HydrophobicContact CD1-CD1 4.18Å; L1815-I1819 HydrophobicContact CD1-CG1 4.37Å; L1815-I1819 HydrophobicContact CD2-CD1 4.33Å; L1815-I1819 HydrophobicContact CG-CD1 3.85Å; L1815-I1819 HydrophobicContact CG-CG1 4.41Å; L1815-I1819 WeakPolarHBondContact O-CG1 3.31Å; L1815-I1819 PolarHBondContact O-N 3.24Å; L1816-I1819 PolarHBondContact O-N 3.43Å; I1819-F1828 HydrophobicContact CG2-CD2 3.66Å; I1819-F1828 HydrophobicContact CG2-CE2 3.59Å; I1819-F1828 HydrophobicContact CG2-CG 4.45Å; I1819-F1828 HydrophobicContact CG2-CZ 4.34Å; I1819-P1829 HydrophobicContact CD1-CG 4.39Å |
| 1820 | Y | 77.8 | Confident | 59.2 | Low | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -92.2 | -18.3 | -174.4 | -64.8 | -92.1 | 0 | 0 | 0 | 112.9 | R1491 I1494 K1495 V1531 L1816 F1828 | R1491-Y1820 HydrophobicContact CB-CD1 4.27Å; R1491-Y1820 HydrophobicContact CB-CE1 4.39Å; R1491-Y1820 HydrophobicContact CG-CD1 3.95Å; R1491-Y1820 HydrophobicContact CG-CE1 4.49Å; I1494-Y1820 HydrophobicContact CB-CD1 3.92Å; I1494-Y1820 HydrophobicContact CB-CE1 4.03Å; I1494-Y1820 HydrophobicContact CB-CG 4.36Å; I1494-Y1820 HydrophobicContact CD1-CD1 4.37Å; I1494-Y1820 HydrophobicContact CD1-CE1 3.6Å; I1494-Y1820 HydrophobicContact CG1-CE1 4.42Å; I1494-Y1820 HydrophobicContact CG2-CD1 3.67Å; I1494-Y1820 HydrophobicContact CG2-CD2 3.77Å; I1494-Y1820 HydrophobicContact CG2-CE1 3.9Å; I1494-Y1820 HydrophobicContact CG2-CE2 3.99Å; I1494-Y1820 HydrophobicContact CG2-CG 3.62Å; K1495-Y1820 WeakPolarHBondContact CE-O 3.5Å; K1495-Y1820 WeakPolarHBondContact CG-O 3.41Å; K1495-Y1820 PolarHBondContact NZ-O 3.33Å; V1531-Y1820 HydrophobicContact CG2-CE2 4.09Å; L1816-Y1820 HydrophobicContact CB-CD2 4.38Å; L1816-Y1820 HydrophobicContact CD2-CD2 4.16Å; L1816-Y1820 HydrophobicContact CD2-CE2 3.78Å; L1816-Y1820 WeakPolarHBondContact O-CB 3.3Å; L1816-Y1820 WeakPolarHBondContact O-CD2 3.48Å; L1816-Y1820 PolarHBondContact O-N 3.02Å; Y1820-F1828 HydrophobicContact CD1-CE2 4.41Å; Y1820-F1828 AromaticContact CE1-CE2 3.81Å; Y1820-F1828 HydrophobicContact CE1-CE2 3.81Å; Y1820-F1828 AromaticContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE2-CE2 4.48Å; Y1820-F1828 AromaticContact CZ-CE2 3.87Å; Y1820-F1828 AromaticContact CZ-CZ 3.72Å; Y1820-F1828 WeakPolarHBondContact OH-CZ 3.36Å |
| 1821 | G | 65.5 | Low | 58.9 | Low | 51 Ų | 51 | 64.8 Ų | 64.8 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.6 | -31.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | T1817 | T1817-G1821 WeakPolarHBondContact O-CA 3.46Å; T1817-G1821 PolarHBondContact O-N 3.26Å |
| 1822 | S | 60.3 | Low | 58.6 | Low | 31 Ų | 31 | 62.6 Ų | 62.6 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | trans | -55 | 146.8 | 175 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | K1495 S1818 N1824 Q1827 | K1495-S1822 PolarHBondContact NZ-O 3.11Å; S1818-S1822 PolarHBondContact O-N 2.9Å; S1822-N1824 PolarHBondContact OG-N 3Å; S1822-Q1827 PolarHBondContact OG-OE1 3.35Å | ||
| 1823 | K | 49 | Very low | 57.5 | Low | 203 Ų | 203 | 60.2 Ų | 60.2 | 88% | 0.883 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -83.8 | -14.6 | 168 | -71.6 | -172.7 | 176.8 | -178.1 | 0 | 112 | K1825 | K1823-K1825 PolarHBondContact O-N 2.76Š|
| 1824 | N | 54.2 | Low | 56.4 | Low | 116 Ų | 116 | 59.8 Ų | 59.8 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | trans | -92.2 | 101.8 | -173.1 | -68.8 | -11.3 | 0 | 0 | 0 | 111.7 | S1822 G1826 Q1827 | S1822-N1824 PolarHBondContact OG-N 3Å; N1824-G1826 PolarHBondContact O-N 3.39Å; N1824-G1826 VanDerWaalsContact O-N 3.08Å; N1824-Q1827 WeakPolarHBondContact O-CB 3.42Å; N1824-Q1827 PolarHBondContact O-N 2.96Å; N1824-Q1827 VanDerWaalsContact O-N 3.07Å | ||
| 1825 | K | 54.5 | Low | 55.3 | Low | 111 Ų | 111 | 55.3 Ų | 55.3 | 48% | 0.483 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -51.7 | -32.3 | 176.1 | -61.3 | -172.8 | -178 | -171.1 | 0 | 113.8 | D1488 K1823 Q1827 F1828 | D1488-K1825 WeakPolarHBondContact OD1-CE 3.39Å; D1488-K1825 IonicContact OD1-NZ 2.84Å; D1488-K1825 PolarHBondContact OD1-NZ 2.85Å; D1488-K1825 IonicContact OD2-NZ 2.7Å; D1488-K1825 PolarHBondContact OD2-NZ 3.32Å; K1823-K1825 PolarHBondContact O-N 2.76Å; K1825-Q1827 PolarHBondContact O-N 2.76Å; K1825-F1828 PolarHBondContact O-N 2.93Å |
| 1826 | G | 51.5 | Low | 54.4 | Low | 82 Ų | 82 | 54.7 Ų | 54.7 | 85% | 0.845 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -71 | -2.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1824 | N1824-G1826 PolarHBondContact O-N 3.39Å; N1824-G1826 VanDerWaalsContact O-N 3.08Å |
| 1827 | Q | 49.8 | Very low | 52.9 | Low | 124 Ų | 124 | 58.8 Ų | 58.8 | 58% | 0.579 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -93.2 | 3.8 | 178.1 | -150.6 | 166.1 | 13.6 | 0 | 0 | 113.2 | S1822 N1824 K1825 | S1822-Q1827 PolarHBondContact OG-OE1 3.35Å; N1824-Q1827 WeakPolarHBondContact O-CB 3.42Å; N1824-Q1827 PolarHBondContact O-N 2.96Å; N1824-Q1827 VanDerWaalsContact O-N 3.07Å; K1825-Q1827 PolarHBondContact O-N 2.76Å |
| 1828 | F | 51.8 | Low | 51.5 | Low | 22 Ų | 22 | 56.9 Ų | 56.9 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.3 | 132.6 | 171.6 | -130 | -104.3 | 0 | 0 | 0 | 110.2 | L1482 L1485 N1486 I1819 Y1820 K1825 S1830 | L1482-F1828 HydrophobicContact CD1-CD1 4.12Å; L1482-F1828 HydrophobicContact CD1-CE1 3.65Å; L1482-F1828 HydrophobicContact CG-CD1 4.08Å; L1482-F1828 HydrophobicContact CG-CE1 3.9Å; L1482-F1828 WeakPolarHBondContact O-CE1 3.4Å; L1485-F1828 HydrophobicContact CB-CZ 4.35Å; N1486-F1828 HydrophobicContact CB-CD1 3.92Å; N1486-F1828 HydrophobicContact CB-CD2 4.24Å; N1486-F1828 HydrophobicContact CB-CE1 3.73Å; N1486-F1828 HydrophobicContact CB-CE2 4.07Å; N1486-F1828 HydrophobicContact CB-CG 4.15Å; N1486-F1828 HydrophobicContact CB-CZ 3.8Å; N1486-F1828 WeakPolarHBondContact ND2-CB 3.3Å; N1486-F1828 WeakPolarHBondContact ND2-CG 3.22Å; N1486-F1828 WeakPolarHBondContact OD1-CD2 3.5Å; I1819-F1828 HydrophobicContact CG2-CD2 3.66Å; I1819-F1828 HydrophobicContact CG2-CE2 3.59Å; I1819-F1828 HydrophobicContact CG2-CG 4.45Å; I1819-F1828 HydrophobicContact CG2-CZ 4.34Å; Y1820-F1828 HydrophobicContact CD1-CE2 4.41Å; Y1820-F1828 AromaticContact CE1-CE2 3.81Å; Y1820-F1828 HydrophobicContact CE1-CE2 3.81Å; Y1820-F1828 AromaticContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE1-CZ 3.96Å; Y1820-F1828 HydrophobicContact CE2-CE2 4.48Å; Y1820-F1828 AromaticContact CZ-CE2 3.87Å; Y1820-F1828 AromaticContact CZ-CZ 3.72Å; Y1820-F1828 WeakPolarHBondContact OH-CZ 3.36Å; K1825-F1828 PolarHBondContact O-N 2.93Å; F1828-S1830 PolarHBondContact O-N 3.38Å |
| 1829 | P | 50.5 | Low | 50.1 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 21% | 0.214 | 33% | 0.327 | C | S | . | . | trans | -74.1 | 90.7 | -170.6 | 27.8 | -34.3 | 0 | 0 | 0 | 112.3 | L1482 I1819 T1831 L1833 | L1482-P1829 WeakPolarHBondContact CD2-O 3.32Å; I1819-P1829 HydrophobicContact CD1-CG 4.39Å; P1829-T1831 VanDerWaalsContact C-N 3.28Å; P1829-T1831 PolarHBondContact O-N 3.07Å; P1829-L1833 HydrophobicContact CB-CD1 4.3Å; P1829-L1833 HydrophobicContact CG-CD1 3.54Å; P1829-L1833 HydrophobicContact CG-CG 4.17Å | ||
| 1830 | S | 40.8 | Very low | 48.7 | Very low | 101 Ų | 101 | 55 Ų | 55 | 71% | 0.706 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.5 | -164.1 | 45.6 | 0 | 0 | 0 | 0 | 117.5 | F1828 | F1828-S1830 PolarHBondContact O-N 3.38Š|
| 1831 | T | 41.8 | Very low | 47 | Very low | 71 Ų | 71 | 55.5 Ų | 55.5 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | -1.9 | -176.5 | 52.3 | 0 | 0 | 0 | 0 | 115 | P1829 | P1829-T1831 VanDerWaalsContact C-N 3.28Å; P1829-T1831 PolarHBondContact O-N 3.07Å |
| 1832 | S | 41.5 | Very low | 45.7 | Very low | 26 Ų | 26 | 53.8 Ų | 53.8 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -12.3 | -152.5 | -82.2 | 0 | 0 | 0 | 0 | 117.8 | N1840 N1842 | S1832-N1840 PolarHBondContact O-OD1 3.18Å; S1832-N1840 VanDerWaalsContact O-OD1 3.07Å; S1832-N1842 WeakPolarHBondContact CB-ND2 3.3Å; S1832-N1842 PolarHBondContact OG-ND2 3.34Å; S1832-N1842 PolarHBondContact OG-OD1 3.22Å |
| 1833 | L | 37.7 | Very low | 44.9 | Very low | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | trans | -127.8 | 117.4 | -168.7 | -64 | 179.1 | 0 | 0 | 0 | 112.4 | S1525 C1527 P1829 | S1525-L1833 VanDerWaalsContact O-CD2 3.27Å; S1525-L1833 WeakPolarHBondContact O-CD2 3.49Å; C1527-L1833 HydrophobicContact CB-CB 4.23Å; C1527-L1833 HydrophobicContact CB-CD1 3.48Å; C1527-L1833 VanDerWaalsContact CB-CD1 3.48Å; C1527-L1833 HydrophobicContact CB-CG 4.49Å; P1829-L1833 HydrophobicContact CB-CD1 4.3Å; P1829-L1833 HydrophobicContact CG-CD1 3.54Å; P1829-L1833 HydrophobicContact CG-CG 4.17Å | ||
| 1834 | L | 40.5 | Very low | 44.8 | Very low | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | trans | -85.9 | 169.4 | 177.2 | -77.8 | -168.7 | 0 | 0 | 0 | 113.3 | S1478 N1526 I1790 L1838 I1841 | S1478-L1834 VanDerWaalsContact CB-CD2 3.47Å; S1478-L1834 VanDerWaalsContact OG-CA 3.3Å; S1478-L1834 WeakPolarHBondContact OG-CA 3.25Å; S1478-L1834 WeakPolarHBondContact OG-CD2 3.35Å; N1526-L1834 WeakPolarHBondContact CB-O 3.22Å; N1526-L1834 VanDerWaalsContact CG-O 3.25Å; I1790-L1834 HydrophobicContact CD1-CD1 4.17Å; L1834-L1838 HydrophobicContact CB-CB 4.03Å; L1834-L1838 HydrophobicContact CD1-CB 3.93Å; L1834-L1838 HydrophobicContact CD1-CD1 4.42Å; L1834-I1841 HydrophobicContact CD1-CD1 3.86Å; L1834-I1841 HydrophobicContact CD1-CG1 3.71Å; L1834-I1841 HydrophobicContact CD2-CD1 3.78Å; L1834-I1841 HydrophobicContact CD2-CG1 4.47Å; L1834-I1841 HydrophobicContact CG-CD1 3.73Å; L1834-I1841 HydrophobicContact CG-CG1 3.87Å | ||
| 1835 | L | 41.7 | Very low | 44.3 | Very low | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -83 | 178 | -177 | -136.8 | 89.6 | 0 | 0 | 0 | 114.1 | S1478 L1481 N1526 C1528 F1585 I1588 L1592 D1837 L1838 | S1478-L1835 PolarHBondContact OG-N 3.06Å; L1481-L1835 HydrophobicContact CB-CD1 3.61Å; L1481-L1835 HydrophobicContact CD1-CD1 3.38Å; L1481-L1835 HydrophobicContact CD1-CD2 3.35Å; L1481-L1835 HydrophobicContact CD1-CG 3.96Å; L1481-L1835 HydrophobicContact CG-CD1 4.13Å; N1526-L1835 PolarHBondContact ND2-O 3.47Å; C1528-L1835 HydrophobicContact CB-CD1 3.32Å; C1528-L1835 HydrophobicContact CB-CG 3.91Å; C1528-L1835 VanDerWaalsContact SG-CD1 3.59Å; F1585-L1835 HydrophobicContact CE1-CD1 4.45Å; I1588-L1835 HydrophobicContact CG2-CD2 4.07Å; L1592-L1835 HydrophobicContact CD1-CB 4.49Å; L1592-L1835 HydrophobicContact CD1-CD2 4.17Å; L1835-D1837 PolarHBondContact O-N 2.92Å; L1835-D1837 VanDerWaalsContact O-N 3.12Å; L1835-L1838 HydrophobicContact CB-CD1 4.32Å; L1835-L1838 PolarHBondContact O-N 3.21Å; L1835-L1838 VanDerWaalsContact O-N 3.15Å | ||
| 1836 | L | 46.1 | Very low | 43.7 | Very low | 19 Ų | 19 | 35.1 Ų | 35.1 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -12.2 | 102.8 | 162 | -57.3 | 175.3 | 0 | 0 | 0 | 113.5 | K1529 Y1532 F1585 L1838 | K1529-L1836 HydrophobicContact CD-CD2 3.96Å; Y1532-L1836 HydrophobicContact CD1-CD2 3.93Å; Y1532-L1836 HydrophobicContact CD2-CD2 4.29Å; Y1532-L1836 HydrophobicContact CE1-CD2 4.41Å; Y1532-L1836 HydrophobicContact CG-CD2 3.86Å; F1585-L1836 HydrophobicContact CB-CD1 4.45Å; L1836-L1838 PolarHBondContact O-N 3.29Å |
| 1837 | D | 43.5 | Very low | 43.1 | Very low | 90 Ų | 90 | 32.4 Ų | 32.4 | 48% | 0.481 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 10.8 | 169.6 | -45.5 | -32.2 | 0 | 0 | 0 | 117.7 | L1835 | L1835-D1837 PolarHBondContact O-N 2.92Å; L1835-D1837 VanDerWaalsContact O-N 3.12Å |
| 1838 | L | 42.5 | Very low | 42.6 | Very low | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 136.6 | 165.7 | -65.3 | 166.9 | 0 | 0 | 0 | 110.2 | V1474 N1526 L1592 L1795 L1834 L1835 L1836 N1840 | V1474-L1838 HydrophobicContact CG1-CD1 3.56Å; V1474-L1838 HydrophobicContact CG1-CD2 3.93Å; V1474-L1838 HydrophobicContact CG1-CG 4.42Å; N1526-L1838 PolarHBondContact ND2-O 3.39Å; L1592-L1838 HydrophobicContact CD1-CD1 3.93Å; L1592-L1838 HydrophobicContact CD2-CD1 4.31Å; L1795-L1838 HydrophobicContact CD2-CD2 3.58Å; L1834-L1838 HydrophobicContact CB-CB 4.03Å; L1834-L1838 HydrophobicContact CD1-CB 3.93Å; L1834-L1838 HydrophobicContact CD1-CD1 4.42Å; L1835-L1838 HydrophobicContact CB-CD1 4.32Å; L1835-L1838 PolarHBondContact O-N 3.21Å; L1835-L1838 VanDerWaalsContact O-N 3.15Å; L1836-L1838 PolarHBondContact O-N 3.29Å; L1838-N1840 PolarHBondContact O-N 3.42Å |
| 1839 | P | 38.8 | Very low | 42 | Very low | 42 Ų | 42 | 34.3 Ų | 34.3 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 134.3 | 179 | 29 | -35.7 | 0 | 0 | 0 | 110.6 | R1794 I1841 | R1794-P1839 HydrophobicContact CB-CG 3.9Å; R1794-P1839 HydrophobicContact CG-CG 4.48Å; R1794-P1839 WeakPolarHBondContact O-CD 3.28Å; R1794-P1839 WeakPolarHBondContact O-CG 3.42Å; P1839-I1841 PolarHBondContact O-N 3.11Å |
| 1840 | N | 42.5 | Very low | 41.8 | Very low | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -51.3 | 128 | 178.3 | -175 | -22.5 | 0 | 0 | 0 | 111.2 | K1524 S1832 L1838 N1842 D1843 | K1524-N1840 VanDerWaalsContact C-ND2 3.3Å; K1524-N1840 WeakPolarHBondContact CA-ND2 3.35Å; K1524-N1840 PolarHBondContact O-ND2 2.95Å; S1832-N1840 PolarHBondContact O-OD1 3.18Å; S1832-N1840 VanDerWaalsContact O-OD1 3.07Å; L1838-N1840 PolarHBondContact O-N 3.42Å; N1840-N1842 PolarHBondContact O-N 3Å; N1840-N1842 WeakPolarHBondContact OD1-CB 3.41Å; N1840-N1842 PolarHBondContact OD1-N 3.45Å; N1840-D1843 HydrophobicContact CB-CB 4.14Å; N1840-D1843 CarbonylContact O-C 3.59Å; N1840-D1843 PolarHBondContact O-N 3.4Å |
| 1841 | I | 42 | Very low | 42.5 | Very low | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -59.3 | -30.6 | 179.4 | -72.7 | 166.8 | 0 | 0 | 0 | 111.4 | W1308 L1834 P1839 D1843 V1844 | W1308-I1841 HydrophobicContact CB-CG2 3.87Å; W1308-I1841 WeakPolarHBondContact CB-O 3.38Å; L1834-I1841 HydrophobicContact CD1-CD1 3.86Å; L1834-I1841 HydrophobicContact CD1-CG1 3.71Å; L1834-I1841 HydrophobicContact CD2-CD1 3.78Å; L1834-I1841 HydrophobicContact CD2-CG1 4.47Å; L1834-I1841 HydrophobicContact CG-CD1 3.73Å; L1834-I1841 HydrophobicContact CG-CG1 3.87Å; P1839-I1841 PolarHBondContact O-N 3.11Å; I1841-D1843 VanDerWaalsContact C-N 3.26Å; I1841-D1843 PolarHBondContact O-N 2.97Å; I1841-V1844 VanDerWaalsContact O-CG2 3.25Å; I1841-V1844 WeakPolarHBondContact O-CG2 3.48Å |
| 1842 | N | 39.2 | Very low | 43.5 | Very low | 16 Ų | 16 | 37.2 Ų | 37.2 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -77 | -7.6 | 176.7 | -61.7 | -7.8 | 0 | 0 | 0 | 113.6 | I1311 S1832 N1840 | I1311-N1842 HydrophobicContact CD1-CB 3.78Å; I1311-N1842 HydrophobicContact CG1-CB 4.08Å; S1832-N1842 WeakPolarHBondContact CB-ND2 3.3Å; S1832-N1842 PolarHBondContact OG-ND2 3.34Å; S1832-N1842 PolarHBondContact OG-OD1 3.22Å; N1840-N1842 PolarHBondContact O-N 3Å; N1840-N1842 WeakPolarHBondContact OD1-CB 3.41Å; N1840-N1842 PolarHBondContact OD1-N 3.45Å |
| 1843 | D | 43.5 | Very low | 44.7 | Very low | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.134 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -128.9 | 48.1 | -173.1 | -154.1 | 25.9 | 0 | 0 | 0 | 110.8 | K1524 N1840 I1841 F1845 G1846 Q1847 G1848 | K1524-D1843 WeakPolarHBondContact CD-OD2 3.43Å; K1524-D1843 VanDerWaalsContact CE-CG 3.49Å; K1524-D1843 WeakPolarHBondContact CE-OD1 3.34Å; K1524-D1843 VanDerWaalsContact CE-OD2 3.31Å; K1524-D1843 WeakPolarHBondContact CE-OD2 3.5Å; N1840-D1843 HydrophobicContact CB-CB 4.14Å; N1840-D1843 CarbonylContact O-C 3.59Å; N1840-D1843 PolarHBondContact O-N 3.4Å; I1841-D1843 VanDerWaalsContact C-N 3.26Å; I1841-D1843 PolarHBondContact O-N 2.97Å; D1843-F1845 PolarHBondContact O-N 3.3Å; D1843-G1846 PolarHBondContact O-N 3.29Å; D1843-Q1847 WeakPolarHBondContact OD1-CA 3.46Å; D1843-Q1847 WeakPolarHBondContact OD1-CB 3.47Å; D1843-Q1847 PolarHBondContact OD1-N 2.81Å; D1843-G1848 PolarHBondContact OD1-N 3.42Å |
| 1844 | V | 46.2 | Very low | 46 | Very low | 8 Ų | 8 | 43.4 Ų | 43.4 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -34.4 | -167.6 | -176.3 | 0 | 0 | 0 | 0 | 115.3 | W1308 I1841 | W1308-V1844 HydrophobicContact CB-CG2 4.01Å; W1308-V1844 HydrophobicContact CD2-CG2 3.55Å; W1308-V1844 HydrophobicContact CE3-CG2 3.73Å; W1308-V1844 HydrophobicContact CG-CG2 3.69Å; W1308-V1844 HydrophobicContact CZ3-CG2 4.47Å; I1841-V1844 VanDerWaalsContact O-CG2 3.25Å; I1841-V1844 WeakPolarHBondContact O-CG2 3.48Å |
| 1845 | F | 44.9 | Very low | 47.4 | Very low | 26 Ų | 26 | 49 Ų | 49 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -1.1 | 178.7 | -46.5 | -65.7 | 0 | 0 | 0 | 113.5 | D1843 L1850 I1852 Q1857 Y1860 N1861 | D1843-F1845 PolarHBondContact O-N 3.3Å; F1845-L1850 HydrophobicContact CB-CD1 4.43Å; F1845-I1852 HydrophobicContact CB-CD1 3.96Å; F1845-I1852 HydrophobicContact CD2-CD1 4.11Å; F1845-I1852 HydrophobicContact CG-CD1 4.08Å; F1845-Q1857 HydrophobicContact CD2-CG 4.14Å; F1845-Q1857 HydrophobicContact CE2-CG 3.62Å; F1845-Y1860 HydrophobicContact CB-CE1 4.44Å; F1845-Y1860 HydrophobicContact CD1-CD1 4.01Å; F1845-Y1860 HydrophobicContact CD1-CE1 4.06Å; F1845-Y1860 HydrophobicContact CE1-CD1 4.45Å; F1845-Y1860 HydrophobicContact CG-CD1 4.19Å; F1845-Y1860 HydrophobicContact CG-CE1 4.27Å; F1845-N1861 HydrophobicContact CE1-CB 3.88Å; F1845-N1861 WeakPolarHBondContact CE1-OD1 3.46Å; F1845-N1861 HydrophobicContact CE2-CB 4.34Å; F1845-N1861 HydrophobicContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CG 3.49Å; F1845-N1861 VanDerWaalsContact CZ-OD1 3.28Å; F1845-N1861 WeakPolarHBondContact CZ-OD1 3.26Å |
| 1846 | G | 41 | Very low | 49 | Very low | 9 Ų | 9 | 50.5 Ų | 50.5 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | trans | 61.8 | 73.5 | -148.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | D1843 G1848 R1849 L1850 | D1843-G1846 PolarHBondContact O-N 3.29Å; G1846-G1848 PolarHBondContact O-N 3.44Å; G1846-R1849 CarbonylContact O-C 3.6Å; G1846-R1849 WeakPolarHBondContact O-CA 3.16Å; G1846-R1849 WeakPolarHBondContact O-CB 3.35Å; G1846-R1849 PolarHBondContact O-N 2.86Å; G1846-L1850 PolarHBondContact O-N 2.84Å | ||
| 1847 | Q | 38.4 | Very low | 50.3 | Low | 26 Ų | 26 | 49.6 Ų | 49.6 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -28.3 | 161.4 | -66.3 | -174.9 | -49.7 | 0 | 0 | 110.3 | D1843 R1849 L1850 Q1857 | D1843-Q1847 WeakPolarHBondContact OD1-CA 3.46Å; D1843-Q1847 WeakPolarHBondContact OD1-CB 3.47Å; D1843-Q1847 PolarHBondContact OD1-N 2.81Å; Q1847-R1849 PolarHBondContact O-N 2.77Å; Q1847-L1850 WeakPolarHBondContact CA-O 3.5Å; Q1847-Q1857 VanDerWaalsContact NE2-NE2 3.1Å |
| 1848 | G | 39.7 | Very low | 52.1 | Low | 48 Ų | 48 | 47.2 Ų | 47.2 | 50% | 0.495 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -0.8 | 169 | 0 | 0 | 0 | 0 | 0 | 116 | D1843 G1846 | D1843-G1848 PolarHBondContact OD1-N 3.42Å; G1846-G1848 PolarHBondContact O-N 3.44Å |
| 1849 | R | 38.3 | Very low | 54.1 | Low | 137 Ų | 137 | 48.4 Ų | 48.4 | 52% | 0.517 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -27 | 179.6 | -57.8 | 179.2 | -176.8 | -165.3 | -4.7 | 112.4 | L1798 H1800 G1846 Q1847 | L1798-R1849 VanDerWaalsContact CD1-NH1 3.27Å; H1800-R1849 PolarHBondContact CE1-NH2 3.39Å; H1800-R1849 VanDerWaalsContact CE1-NH2 3.34Å; H1800-R1849 PolarHBondContact NE2-NH2 2.91Å; G1846-R1849 CarbonylContact O-C 3.6Å; G1846-R1849 WeakPolarHBondContact O-CA 3.16Å; G1846-R1849 WeakPolarHBondContact O-CB 3.35Å; G1846-R1849 PolarHBondContact O-N 2.86Å; Q1847-R1849 PolarHBondContact O-N 2.77Å |
| 1850 | L | 47.9 | Very low | 56.1 | Low | 72 Ų | 72 | 49.3 Ų | 49.3 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | trans | -131.2 | 100.9 | -176.5 | -58.2 | 175.2 | 0 | 0 | 0 | 108 | F1845 G1846 Q1847 I1852 Y1860 | F1845-L1850 HydrophobicContact CB-CD1 4.43Å; G1846-L1850 PolarHBondContact O-N 2.84Å; Q1847-L1850 WeakPolarHBondContact CA-O 3.5Å; L1850-I1852 HydrophobicContact CB-CD1 3.93Å; L1850-I1852 HydrophobicContact CB-CG1 3.87Å; L1850-I1852 HydrophobicContact CD1-CD1 4.28Å; L1850-I1852 PolarHBondContact O-N 3.37Å; L1850-Y1860 HydrophobicContact CD1-CE1 4.4Å | ||
| 1851 | N | 55.3 | Low | 57.8 | Low | 165 Ų | 165 | 48.9 Ų | 48.9 | 88% | 0.882 | 25% | 0.253 | S | S | * | . | trans | -69.7 | 70.8 | 168.9 | -74.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1852 | I | 62.8 | Low | 59.9 | Low | 29 Ų | 29 | 48.5 Ų | 48.5 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | trans | -76.3 | 123.1 | 173.4 | -59.4 | 161 | 0 | 0 | 0 | 106.8 | F1845 L1850 N1854 N1856 Q1857 Y1860 | F1845-I1852 HydrophobicContact CB-CD1 3.96Å; F1845-I1852 HydrophobicContact CD2-CD1 4.11Å; F1845-I1852 HydrophobicContact CG-CD1 4.08Å; L1850-I1852 HydrophobicContact CB-CD1 3.93Å; L1850-I1852 HydrophobicContact CB-CG1 3.87Å; L1850-I1852 HydrophobicContact CD1-CD1 4.28Å; L1850-I1852 PolarHBondContact O-N 3.37Å; I1852-N1854 PolarHBondContact O-N 2.91Å; I1852-N1856 HydrophobicContact CG2-CB 4.07Å; I1852-Q1857 HydrophobicContact CG2-CB 4.27Å; I1852-Y1860 HydrophobicContact CD1-CD1 3.53Å; I1852-Y1860 HydrophobicContact CD1-CD2 4.39Å; I1852-Y1860 HydrophobicContact CD1-CE1 3.74Å; I1852-Y1860 HydrophobicContact CD1-CG 3.89Å | ||
| 1853 | H | 66.6 | Low | 62.2 | Low | 117 Ų | 117 | 48.6 Ų | 48.6 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | trans | -57.4 | 136.6 | 173.7 | -160 | -101.8 | 0 | 0 | 0 | 109.9 | D1855 N1856 Q1857 | H1853-D1855 VanDerWaalsContact C-N 3.25Å; H1853-D1855 IonicContact CE1-OD2 3.2Å; H1853-D1855 PolarHBondContact CE1-OD2 3.43Å; H1853-D1855 IonicContact ND1-OD1 2.99Å; H1853-D1855 IonicContact ND1-OD2 2.71Å; H1853-D1855 PolarHBondContact ND1-OD2 3.38Å; H1853-D1855 PolarHBondContact O-N 3.24Å; H1853-D1855 VanDerWaalsContact O-N 3.14Å; H1853-N1856 WeakPolarHBondContact O-CA 3.43Å; H1853-N1856 WeakPolarHBondContact O-CB 3.44Å; H1853-N1856 PolarHBondContact O-N 2.97Å; H1853-Q1857 PolarHBondContact O-N 2.71Å | ||
| 1854 | N | 65.3 | Low | 64 | Low | 54 Ų | 54 | 51.2 Ų | 51.2 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -50.8 | -44.5 | -173.6 | -71.1 | -19 | 0 | 0 | 0 | 112.4 | I1852 N1856 Q1857 | I1852-N1854 PolarHBondContact O-N 2.91Å; N1854-N1856 PolarHBondContact O-N 3.32Å; N1854-Q1857 WeakPolarHBondContact O-CB 3.22Å; N1854-Q1857 PolarHBondContact O-N 2.87Å |
| 1855 | D | 69.2 | Low | 65.6 | Low | 123 Ų | 123 | 51.4 Ų | 51.4 | 66% | 0.658 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -58.2 | -34 | 178.2 | -41.6 | -20.5 | 0 | 0 | 0 | 113.1 | H1853 | H1853-D1855 VanDerWaalsContact C-N 3.25Å; H1853-D1855 IonicContact CE1-OD2 3.2Å; H1853-D1855 PolarHBondContact CE1-OD2 3.43Å; H1853-D1855 IonicContact ND1-OD1 2.99Å; H1853-D1855 IonicContact ND1-OD2 2.71Å; H1853-D1855 PolarHBondContact ND1-OD2 3.38Å; H1853-D1855 PolarHBondContact O-N 3.24Å; H1853-D1855 VanDerWaalsContact O-N 3.14Å |
| 1856 | N | 74.7 | Confident | 67.6 | Low | 33 Ų | 33 | 50.1 Ų | 50.1 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -82.6 | -12.9 | 178.1 | -72.9 | -53.8 | 0 | 0 | 0 | 112.7 | I1852 H1853 N1854 I1858 M1859 Y1860 | I1852-N1856 HydrophobicContact CG2-CB 4.07Å; H1853-N1856 WeakPolarHBondContact O-CA 3.43Å; H1853-N1856 WeakPolarHBondContact O-CB 3.44Å; H1853-N1856 PolarHBondContact O-N 2.97Å; N1854-N1856 PolarHBondContact O-N 3.32Å; N1856-I1858 PolarHBondContact O-N 3.49Å; N1856-M1859 PolarHBondContact O-N 3.18Å; N1856-M1859 WeakPolarHBondContact OD1-CE 3.4Å; N1856-Y1860 WeakPolarHBondContact O-CB 3.35Å; N1856-Y1860 PolarHBondContact O-N 3.27Å |
| 1857 | Q | 73.6 | Confident | 69.5 | Low | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | -170 | -169.6 | 165.9 | -6.9 | 0 | 0 | 112.5 | W1308 F1845 Q1847 I1852 H1853 N1854 M1859 N1861 | W1308-Q1857 HydrophobicContact CH2-CG 3.95Å; W1308-Q1857 VanDerWaalsContact CH2-NE2 3.3Å; F1845-Q1857 HydrophobicContact CD2-CG 4.14Å; F1845-Q1857 HydrophobicContact CE2-CG 3.62Å; Q1847-Q1857 VanDerWaalsContact NE2-NE2 3.1Å; I1852-Q1857 HydrophobicContact CG2-CB 4.27Å; H1853-Q1857 PolarHBondContact O-N 2.71Å; N1854-Q1857 WeakPolarHBondContact O-CB 3.22Å; N1854-Q1857 PolarHBondContact O-N 2.87Å; Q1857-M1859 VanDerWaalsContact C-N 3.33Å; Q1857-M1859 PolarHBondContact O-N 2.92Å; Q1857-N1861 WeakPolarHBondContact O-CB 3.35Å; Q1857-N1861 PolarHBondContact O-N 2.95Å |
| 1858 | I | 81 | Confident | 71.5 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.5 | -56.2 | 177 | 0 | 0 | 0 | 111.1 | F1333 S1355 Q1357 N1856 N1861 Y1862 | F1333-I1858 HydrophobicContact CD1-CG1 4.2Å; F1333-I1858 HydrophobicContact CE1-CD1 4.07Å; F1333-I1858 HydrophobicContact CE1-CG1 3.78Å; S1355-I1858 WeakPolarHBondContact O-CG2 3.41Å; Q1357-I1858 HydrophobicContact CB-CD1 3.9Å; N1856-I1858 PolarHBondContact O-N 3.49Å; I1858-N1861 WeakPolarHBondContact O-CB 3.5Å; I1858-Y1862 PolarHBondContact O-N 3.27Å |
| 1859 | M | 84.8 | Confident | 73.6 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 14% | 0.138 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.6 | -47 | -178.9 | -179.8 | 163.1 | 56.3 | 0 | 0 | 111.2 | F1272 P1273 Y1276 N1856 Q1857 N1861 Y1862 L1863 | F1272-M1859 HydrophobicContact CB-CE 3.57Å; F1272-M1859 HydrophobicContact CB-CG 4.16Å; F1272-M1859 HydrophobicContact CB-SD 3.7Å; F1272-M1859 HydrophobicContact CD2-CE 4.37Å; P1273-M1859 HydrophobicContact CB-SD 4.35Å; P1273-M1859 HydrophobicContact CG-CE 4.04Å; P1273-M1859 HydrophobicContact CG-SD 3.86Å; Y1276-M1859 HydrophobicContact CD2-CB 4.29Å; Y1276-M1859 HydrophobicContact CD2-CG 3.79Å; Y1276-M1859 HydrophobicContact CG-CG 4.19Å; N1856-M1859 PolarHBondContact O-N 3.18Å; N1856-M1859 WeakPolarHBondContact OD1-CE 3.4Å; Q1857-M1859 VanDerWaalsContact C-N 3.33Å; Q1857-M1859 PolarHBondContact O-N 2.92Å; M1859-N1861 VanDerWaalsContact C-N 3.33Å; M1859-N1861 PolarHBondContact O-N 3.15Å; M1859-Y1862 PolarHBondContact O-N 3.45Å; M1859-L1863 HydrophobicContact CG-CD1 4.08Å; M1859-L1863 WeakPolarHBondContact O-CB 3.49Å; M1859-L1863 VanDerWaalsContact O-CG 3.29Å; M1859-L1863 WeakPolarHBondContact O-CG 3.37Å; M1859-L1863 PolarHBondContact O-N 2.93Å |
| 1860 | Y | 81.3 | Confident | 75.4 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 175.3 | -173.1 | -86.8 | 0 | 0 | 0 | 111.7 | F1272 F1845 L1850 I1852 N1856 Y1862 L1863 W1864 | F1272-Y1860 HydrophobicContact CZ-CD2 4.42Å; F1845-Y1860 HydrophobicContact CB-CE1 4.44Å; F1845-Y1860 HydrophobicContact CD1-CD1 4.01Å; F1845-Y1860 HydrophobicContact CD1-CE1 4.06Å; F1845-Y1860 HydrophobicContact CE1-CD1 4.45Å; F1845-Y1860 HydrophobicContact CG-CD1 4.19Å; F1845-Y1860 HydrophobicContact CG-CE1 4.27Å; L1850-Y1860 HydrophobicContact CD1-CE1 4.4Å; I1852-Y1860 HydrophobicContact CD1-CD1 3.53Å; I1852-Y1860 HydrophobicContact CD1-CD2 4.39Å; I1852-Y1860 HydrophobicContact CD1-CE1 3.74Å; I1852-Y1860 HydrophobicContact CD1-CG 3.89Å; N1856-Y1860 WeakPolarHBondContact O-CB 3.35Å; N1856-Y1860 PolarHBondContact O-N 3.27Å; Y1860-Y1862 PolarHBondContact O-N 3.02Å; Y1860-L1863 PolarHBondContact O-N 2.7Å; Y1860-W1864 HydrophobicContact CD1-CB 4.43Å; Y1860-W1864 HydrophobicContact CE1-CB 4.25Å; Y1860-W1864 HydrophobicContact CE1-CG 4.42Å; Y1860-W1864 WeakPolarHBondContact O-CB 3Å; Y1860-W1864 PolarHBondContact O-N 2.82Å |
| 1861 | N | 77.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.1 | -51 | 175.4 | -175.9 | 30.8 | 0 | 0 | 0 | 112.3 | N1335 S1355 F1845 Q1857 I1858 M1859 W1864 H1865 | N1335-N1861 PolarHBondContact OD1-ND2 3.49Å; S1355-N1861 WeakPolarHBondContact CB-ND2 3.22Å; S1355-N1861 PolarHBondContact OG-ND2 2.64Å; F1845-N1861 HydrophobicContact CE1-CB 3.88Å; F1845-N1861 WeakPolarHBondContact CE1-OD1 3.46Å; F1845-N1861 HydrophobicContact CE2-CB 4.34Å; F1845-N1861 HydrophobicContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CB 3.41Å; F1845-N1861 VanDerWaalsContact CZ-CG 3.49Å; F1845-N1861 VanDerWaalsContact CZ-OD1 3.28Å; F1845-N1861 WeakPolarHBondContact CZ-OD1 3.26Å; Q1857-N1861 WeakPolarHBondContact O-CB 3.35Å; Q1857-N1861 PolarHBondContact O-N 2.95Å; I1858-N1861 WeakPolarHBondContact O-CB 3.5Å; M1859-N1861 VanDerWaalsContact C-N 3.33Å; M1859-N1861 PolarHBondContact O-N 3.15Å; N1861-W1864 PolarHBondContact O-N 3.36Å; N1861-H1865 PolarHBondContact O-CD2 3.31Å; N1861-H1865 VanDerWaalsContact O-CD2 3.28Å; N1861-H1865 PolarHBondContact O-N 2.64Å; N1861-H1865 PolarHBondContact OD1-CD2 3.04Å; N1861-H1865 PolarHBondContact OD1-NE2 3.08Å |
| 1862 | Y | 86.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 179.6 | -174.4 | -91 | 0 | 0 | 0 | 112.7 | Y1276 I1279 E1280 L1352 Y1353 I1858 M1859 Y1860 W1864 N1866 | Y1276-Y1862 AromaticContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CD1 3.47Å; Y1276-Y1862 VanDerWaalsContact CD2-CD1 3.47Å; Y1276-Y1862 HydrophobicContact CD2-CE1 4.2Å; Y1276-Y1862 AromaticContact CD2-CG 3.92Å; Y1276-Y1862 HydrophobicContact CD2-CG 3.92Å; Y1276-Y1862 AromaticContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD1 3.38Å; Y1276-Y1862 HydrophobicContact CE2-CD2 4.13Å; Y1276-Y1862 HydrophobicContact CE2-CE1 4.09Å; Y1276-Y1862 AromaticContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CE2-CG 3.41Å; Y1276-Y1862 VanDerWaalsContact CE2-CG 3.41Å; Y1276-Y1862 HydrophobicContact CG-CD1 4.28Å; I1279-Y1862 HydrophobicContact CB-CE1 4.31Å; I1279-Y1862 HydrophobicContact CG2-CE1 3.84Å; E1280-Y1862 WeakPolarHBondContact CA-OH 3.33Å; E1280-Y1862 HydrophobicContact CB-CE1 4.34Å; L1352-Y1862 HydrophobicContact CD2-CD2 4.11Å; L1352-Y1862 HydrophobicContact CG-CD2 4.43Å; L1352-Y1862 WeakPolarHBondContact O-CE2 3.1Å; Y1353-Y1862 WeakPolarHBondContact O-CE2 3.4Å; I1858-Y1862 PolarHBondContact O-N 3.27Å; M1859-Y1862 PolarHBondContact O-N 3.45Å; Y1860-Y1862 PolarHBondContact O-N 3.02Å; Y1862-W1864 VanDerWaalsContact C-N 3.28Å; Y1862-W1864 PolarHBondContact O-N 3.34Å; Y1862-N1866 VanDerWaalsContact CE2-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact CE2-ND2 3.48Å; Y1862-N1866 VanDerWaalsContact CZ-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact O-CB 3.18Å; Y1862-N1866 PolarHBondContact O-N 3.45Å; Y1862-N1866 PolarHBondContact O-ND2 3.24Å |
| 1863 | L | 87.3 | Confident | 76.8 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -34.8 | 175.5 | -68.9 | 177.3 | 0 | 0 | 0 | 112.2 | F1272 L1275 I1279 M1859 Y1860 W1867 | F1272-L1863 HydrophobicContact CB-CD1 4.02Å; F1272-L1863 HydrophobicContact CD1-CD1 3.94Å; F1272-L1863 HydrophobicContact CG-CD1 4.07Å; L1275-L1863 HydrophobicContact CB-CD2 4.21Å; L1275-L1863 HydrophobicContact CD2-CD1 4.49Å; L1275-L1863 HydrophobicContact CD2-CD2 3.98Å; L1275-L1863 HydrophobicContact CG-CD2 3.81Å; I1279-L1863 HydrophobicContact CD1-CD2 3.66Å; M1859-L1863 HydrophobicContact CG-CD1 4.08Å; M1859-L1863 WeakPolarHBondContact O-CB 3.49Å; M1859-L1863 VanDerWaalsContact O-CG 3.29Å; M1859-L1863 WeakPolarHBondContact O-CG 3.37Å; M1859-L1863 PolarHBondContact O-N 2.93Å; Y1860-L1863 PolarHBondContact O-N 2.7Å; L1863-W1867 VanDerWaalsContact O-CA 3.23Å; L1863-W1867 WeakPolarHBondContact O-CA 3.3Å; L1863-W1867 WeakPolarHBondContact O-CB 3.39Å; L1863-W1867 PolarHBondContact O-N 3.01Å; L1863-W1867 VanDerWaalsContact O-N 3.1Å |
| 1864 | W | 82 | Confident | 77.3 | Confident | 81 Ų | 81 | 48.2 Ų | 48.2 | 31% | 0.307 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72 | -47.9 | 178.5 | -171.8 | 88.1 | 0 | 0 | 0 | 111.9 | E1793 R1794 Y1860 N1861 Y1862 W1867 | E1793-W1864 HydrophobicContact CB-CH2 4.02Å; R1794-W1864 HydrophobicContact CG-CH2 3.69Å; R1794-W1864 HydrophobicContact CG-CZ3 3.88Å; Y1860-W1864 HydrophobicContact CD1-CB 4.43Å; Y1860-W1864 HydrophobicContact CE1-CB 4.25Å; Y1860-W1864 HydrophobicContact CE1-CG 4.42Å; Y1860-W1864 WeakPolarHBondContact O-CB 3Å; Y1860-W1864 PolarHBondContact O-N 2.82Å; N1861-W1864 PolarHBondContact O-N 3.36Å; Y1862-W1864 VanDerWaalsContact C-N 3.28Å; Y1862-W1864 PolarHBondContact O-N 3.34Å; W1864-W1867 WeakPolarHBondContact O-CB 3.02Å; W1864-W1867 PolarHBondContact O-N 3.26Å |
| 1865 | H | 78.6 | Confident | 78 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.2 | -39.8 | 177.9 | -79.8 | -66.8 | 0 | 0 | 0 | 113 | L1352 T1791 N1861 W1867 H1868 | L1352-H1865 HydrophobicContact CB-CB 3.7Å; L1352-H1865 HydrophobicContact CD2-CB 4.38Å; T1791-H1865 VanDerWaalsContact CG2-CE1 3.5Å; T1791-H1865 WeakPolarHBondContact CG2-CE1 3.29Å; T1791-H1865 WeakPolarHBondContact CG2-ND1 3.13Å; T1791-H1865 PolarHBondContact OG1-CE1 3.29Å; T1791-H1865 VanDerWaalsContact OG1-CE1 3.24Å; T1791-H1865 PolarHBondContact OG1-ND1 3.19Å; N1861-H1865 PolarHBondContact O-CD2 3.31Å; N1861-H1865 VanDerWaalsContact O-CD2 3.28Å; N1861-H1865 PolarHBondContact O-N 2.64Å; N1861-H1865 PolarHBondContact OD1-CD2 3.04Å; N1861-H1865 PolarHBondContact OD1-NE2 3.08Å; H1865-W1867 VanDerWaalsContact C-N 3.32Å; H1865-W1867 PolarHBondContact O-N 3.15Å; H1865-H1868 PolarHBondContact O-CE1 3.38Å |
| 1866 | N | 87.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 15.5 | -179.2 | -61.8 | -37.6 | 0 | 0 | 0 | 113.1 | I1279 L1352 Y1862 H1868 L1869 | I1279-N1866 HydrophobicContact CG2-CB 3.76Å; L1352-N1866 PolarHBondContact N-OD1 2.64Å; L1352-N1866 PolarHBondContact O-ND2 3.07Å; Y1862-N1866 VanDerWaalsContact CE2-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact CE2-ND2 3.48Å; Y1862-N1866 VanDerWaalsContact CZ-ND2 3.29Å; Y1862-N1866 WeakPolarHBondContact O-CB 3.18Å; Y1862-N1866 PolarHBondContact O-N 3.45Å; Y1862-N1866 PolarHBondContact O-ND2 3.24Å; N1866-H1868 PolarHBondContact O-N 3.07Å; N1866-L1869 HydrophobicContact CB-CD1 4.37Å; N1866-L1869 WeakPolarHBondContact O-CB 3.06Å; N1866-L1869 PolarHBondContact O-N 3.08Å |
| 1867 | W | 82.4 | Confident | 78.7 | Confident | 73 Ų | 73 | 44.4 Ų | 44.4 | 28% | 0.277 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -53.2 | -31.8 | -171.9 | 78.2 | -86.9 | 0 | 0 | 0 | 114 | E1247 E1793 L1863 W1864 H1865 L1869 T1870 | E1247-W1867 WeakPolarHBondContact OE1-CH2 3.13Å; E1247-W1867 WeakPolarHBondContact OE1-CZ3 3.24Å; E1793-W1867 PolarHBondContact OE1-NE1 3.23Å; L1863-W1867 VanDerWaalsContact O-CA 3.23Å; L1863-W1867 WeakPolarHBondContact O-CA 3.3Å; L1863-W1867 WeakPolarHBondContact O-CB 3.39Å; L1863-W1867 PolarHBondContact O-N 3.01Å; L1863-W1867 VanDerWaalsContact O-N 3.1Å; W1864-W1867 WeakPolarHBondContact O-CB 3.02Å; W1864-W1867 PolarHBondContact O-N 3.26Å; H1865-W1867 VanDerWaalsContact C-N 3.32Å; H1865-W1867 PolarHBondContact O-N 3.15Å; W1867-L1869 PolarHBondContact O-N 2.95Å; W1867-T1870 WeakPolarHBondContact O-CB 3.39Å; W1867-T1870 WeakPolarHBondContact O-CG2 3.41Å; W1867-T1870 PolarHBondContact O-N 3.45Å; W1867-T1870 VanDerWaalsContact O-N 3.08Å; W1867-T1870 PolarHBondContact O-OG1 2.68Å |
| 1868 | H | 79.8 | Confident | 79 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -69.7 | -17.2 | -178.8 | 57.3 | -90.2 | 0 | 0 | 0 | 113.1 | Y1351 H1865 N1866 T1870 | Y1351-H1868 AromaticContact CD1-NE2 3.6Å; Y1351-H1868 AromaticContact CE1-NE2 3.17Å; Y1351-H1868 WeakPolarHBondContact CE1-NE2 3.19Å; H1865-H1868 PolarHBondContact O-CE1 3.38Å; N1866-H1868 PolarHBondContact O-N 3.07Å; H1868-T1870 VanDerWaalsContact C-N 3.3Å |
| 1869 | L | 82.4 | Confident | 78.9 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70.8 | -22.3 | 169.6 | -66.5 | -179.1 | 0 | 0 | 0 | 112.7 | I1279 L1283 L1286 Y1351 N1866 W1867 K1871 F1872 V1873 | I1279-L1869 HydrophobicContact CG2-CB 4.19Å; I1279-L1869 HydrophobicContact CG2-CD1 3.86Å; L1283-L1869 HydrophobicContact CB-CD1 4.1Å; L1283-L1869 HydrophobicContact CD1-CD1 4.39Å; L1286-L1869 HydrophobicContact CD1-CD2 3.87Å; Y1351-L1869 HydrophobicContact CD1-CD1 4.05Å; Y1351-L1869 HydrophobicContact CD1-CG 4.45Å; Y1351-L1869 HydrophobicContact CE1-CD1 3.72Å; Y1351-L1869 HydrophobicContact CE1-CD2 3.7Å; Y1351-L1869 HydrophobicContact CE1-CG 3.79Å; N1866-L1869 HydrophobicContact CB-CD1 4.37Å; N1866-L1869 WeakPolarHBondContact O-CB 3.06Å; N1866-L1869 PolarHBondContact O-N 3.08Å; W1867-L1869 PolarHBondContact O-N 2.95Å; L1869-K1871 PolarHBondContact O-N 3.48Å; L1869-F1872 HydrophobicContact CD2-CD2 4.47Å; L1869-F1872 PolarHBondContact O-N 3.23Å; L1869-V1873 PolarHBondContact O-N 2.52Å; L1869-V1873 VanDerWaalsContact O-N 3.13Å |
| 1870 | T | 77.4 | Confident | 78.4 | Confident | 31 Ų | 31 | 49 Ų | 49 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -71.9 | 21.6 | 173 | 75.1 | 0 | 0 | 0 | 0 | 114.9 | L1275 I1279 W1867 H1868 | L1275-T1870 HydrophobicContact CD1-CG2 4Å; L1275-T1870 HydrophobicContact CD2-CG2 4.3Å; L1275-T1870 HydrophobicContact CG-CG2 4.43Å; I1279-T1870 HydrophobicContact CD1-CG2 3.47Å; I1279-T1870 VanDerWaalsContact CD1-CG2 3.47Å; I1279-T1870 HydrophobicContact CG1-CG2 4.22Å; W1867-T1870 WeakPolarHBondContact O-CB 3.39Å; W1867-T1870 WeakPolarHBondContact O-CG2 3.41Å; W1867-T1870 PolarHBondContact O-N 3.45Å; W1867-T1870 VanDerWaalsContact O-N 3.08Å; W1867-T1870 PolarHBondContact O-OG1 2.68Å; H1868-T1870 VanDerWaalsContact C-N 3.3Å |
| 1871 | K | 75.1 | Confident | 78.2 | Confident | 109 Ų | 109 | 48.2 Ų | 48.2 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -120.8 | -9.2 | 172.8 | -65.6 | 176 | 173.9 | 172.8 | 0 | 111.9 | E1247 L1869 | E1247-K1871 WeakPolarHBondContact OE1-CE 3.29Å; E1247-K1871 IonicContact OE1-NZ 3.74Å; E1247-K1871 PolarHBondContact OE1-NZ 2.78Å; L1869-K1871 PolarHBondContact O-N 3.48Å |
| 1872 | F | 63.4 | Low | 78.3 | Confident | 162 Ų | 162 | 52.2 Ų | 52.2 | 71% | 0.711 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | -33.5 | 177.1 | -60.2 | -81.1 | 0 | 0 | 0 | 110.9 | L1869 | L1869-F1872 HydrophobicContact CD2-CD2 4.47Å; L1869-F1872 PolarHBondContact O-N 3.23Å |
| 1873 | V | 57.3 | Low | 77.5 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 47% | 0.473 | 26% | 0.26 | S | S | . | . | trans | -70.1 | 0 | 148.9 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | E1278 H1282 L1869 | E1278-V1873 HydrophobicContact CB-CG1 4.49Å; E1278-V1873 HydrophobicContact CG-CG1 3.6Å; E1278-V1873 HydrophobicContact CG-CG2 4.24Å; E1278-V1873 VanDerWaalsContact OE2-CG1 3.26Å; E1278-V1873 WeakPolarHBondContact OE2-CG1 3.16Å; H1282-V1873 HydrophobicContact CB-CG2 4.32Å; L1869-V1873 PolarHBondContact O-N 2.52Å; L1869-V1873 VanDerWaalsContact O-N 3.13Å |
Retrieved 1,873 of 1,873 residues in 719.2 ms
(Link to these results)