| 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 | 31.1 | Very low | 31.1 | Very low | 228 Ų | 228 | 128.2 Ų | 128.2 | 100% | 1.123 | 70% | 0.7 | S | S | * | * | 0 | 72.4 | 0 | -71.5 | -56.9 | -174.5 | 0 | 0 | 111.5 | |||||
| 2 | C | 28 | Very low | 31.4 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 70% | 0.703 | 68% | 0.682 | S | S | * | * | cis | -141.1 | 104.4 | -30.6 | -89.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 3 | T | 28.8 | Very low | 31.6 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | 71 | 113 | 109.9 | 54 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 4 | L | 26.8 | Very low | 31.9 | Very low | 145 Ų | 145 | 113.3 Ų | 113.3 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | 58.8 | 132.2 | 89.1 | -57.8 | 171.1 | 0 | 0 | 0 | 110.9 | |||||
| 5 | E | 28.5 | Very low | 32 | Very low | 124 Ų | 124 | 117.5 Ų | 117.5 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | cis | -173.7 | 166.8 | 5.8 | -125.7 | -177.6 | 156.9 | 0 | 0 | 109.6 | ||||
| 6 | K | 31.5 | Very low | 32 | Very low | 161 Ų | 161 | 115.3 Ų | 115.3 | 70% | 0.7 | 65% | 0.645 | S | S | * | * | trans | 59.5 | 168.8 | 144.1 | -73.7 | 170.4 | -178.5 | 137.5 | 0 | 119.1 | ||||
| 7 | S | 30.2 | Very low | 32 | Very low | 80 Ų | 80 | 117.6 Ų | 117.6 | 56% | 0.559 | 65% | 0.654 | S | S | * | * | cis | -161.6 | 175.4 | -36.6 | 53.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | D | 31.5 | Very low | 32 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | trans | 66 | 121.6 | 157.7 | -44.7 | -44.7 | 0 | 0 | 0 | 119.3 | ||||
| 9 | L | 34.6 | Very low | 31.9 | Very low | 154 Ų | 154 | 117.3 Ų | 117.3 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | cis | 68.3 | 159.1 | 48.8 | -84 | 81.7 | 0 | 0 | 0 | 114.3 | ||||
| 10 | P | 36.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | cis | -137.7 | -140.9 | -30.7 | 34 | -17.2 | 0 | 0 | 0 | 115.8 | ||||
| 11 | V | 34.6 | Very low | 31.6 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 42% | 0.424 | 67% | 0.667 | S | S | . | * | trans | 103.5 | 159.9 | 152.6 | -153.7 | 0 | 0 | 0 | 0 | 118.6 | T1126 N1127 | V11-T1126 VanDerWaalsContact C-CB 3.47Å; V11-T1126 VanDerWaalsContact C-CG2 3.44Å; V11-T1126 WeakPolarHBondContact O-CG2 3.37Å; V11-N1127 HydrophobicContact CG1-CB 3.53Å; V11-N1127 WeakPolarHBondContact CG1-O 3.44Å | ||
| 12 | T | 34.4 | Very low | 31.6 | Very low | 80 Ų | 80 | 113 Ų | 113 | 49% | 0.491 | 64% | 0.644 | S | S | . | * | trans | -119.1 | -80.6 | -157 | 74.7 | 0 | 0 | 0 | 0 | 124.4 | T1126 N1127 | T12-T1126 VanDerWaalsContact C-CA 3.46Å; T12-T1126 VanDerWaalsContact N-CB 3.29Å; T12-T1126 WeakPolarHBondContact O-CG2 3.45Å; T12-N1127 WeakPolarHBondContact OG1-CB 3.28Å; T12-N1127 PolarHBondContact OG1-OD1 3.5Å | ||
| 13 | S | 34.4 | Very low | 31.8 | Very low | 49 Ų | 49 | 113.8 Ų | 113.8 | 34% | 0.343 | 65% | 0.646 | S | S | . | * | trans | -159 | 171.6 | -141.4 | 70.2 | 0 | 0 | 0 | 0 | 123.6 | T956 | S13-T956 PolarHBondContact O-N 3.08Š| ||
| 14 | A | 35.3 | Very low | 31.7 | Very low | 47 Ų | 47 | 115.8 Ų | 115.8 | 39% | 0.388 | 65% | 0.651 | S | S | . | * | trans | 96.4 | 156.6 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | A955 | A14-A955 HydrophobicContact CB-CB 3.96Š| ||
| 15 | H | 34.6 | Very low | 32 | Very low | 176 Ų | 176 | 113.4 Ų | 113.4 | 82% | 0.815 | 65% | 0.647 | S | S | * | * | cis | -172.8 | 177.6 | -31.9 | -163.3 | -99.7 | 0 | 0 | 0 | 111.3 | ||||
| 16 | S | 31.4 | Very low | 32 | Very low | 83 Ų | 83 | 119 Ų | 119 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | trans | 88.2 | 132.6 | 149.6 | -69.7 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 17 | I | 31.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 115.6 Ų | 115.6 | 80% | 0.795 | 66% | 0.664 | S | S | * | * | trans | 67.6 | 145.6 | 139 | -64.1 | 167.3 | 0 | 0 | 0 | 119 | ||||
| 18 | A | 32.4 | Very low | 32 | Very low | 82 Ų | 82 | 116.7 Ų | 116.7 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | cis | -176.1 | -160 | -31.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 19 | I | 29.8 | Very low | 32 | Very low | 146 Ų | 146 | 117 Ų | 117 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | trans | 87.7 | 105.4 | 152.9 | -69.7 | 167.6 | 0 | 0 | 0 | 120.3 | ||||
| 20 | I | 29.9 | Very low | 31.9 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | trans | 70.4 | 119.6 | 133.5 | -62.2 | -178.3 | 0 | 0 | 0 | 122.5 | ||||
| 21 | N | 29.3 | Very low | 31.7 | Very low | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 67% | 0.671 | S | S | * | * | 26.5 | 159.3 | 128.2 | -36.8 | -31.2 | 0 | 0 | 0 | 121.2 | |||||
| 22 | S | 30.6 | Very low | 31.7 | Very low | 93 Ų | 93 | 124 Ų | 124 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | cis | -163.9 | -177.8 | 23.9 | 73.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 23 | T | 32.2 | Very low | 31.6 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | 58.6 | 172.7 | 153.6 | 55.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 24 | I | 27.2 | Very low | 31.6 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | -159.6 | 168.9 | -68.8 | -116.2 | 169.1 | 0 | 0 | 0 | 110.7 | |||||
| 25 | S | 32.3 | Very low | 31.6 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | 72.8 | 136.4 | 174.2 | -72.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 26 | R | 27.9 | Very low | 31.5 | Very low | 241 Ų | 241 | 135.9 Ų | 135.9 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | 72.6 | 131.9 | 55.2 | -74.1 | 178.4 | 167.5 | 164.2 | -6.4 | 111.7 | |||||
| 27 | A | 30.2 | Very low | 31.6 | Very low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | cis | -159.5 | -175.3 | 18.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 28 | S | 32.2 | Very low | 31.6 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 75.1 | 114.2 | 143.7 | -67.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 29 | L | 31 | Very low | 31.6 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 73% | 0.728 | 74% | 0.735 | S | S | * | * | 80.1 | 131.8 | 122.6 | -95.7 | 71.2 | 0 | 0 | 0 | 125.8 | |||||
| 30 | M | 32.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 140 Ų | 140 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | 62.5 | 112.5 | 139.7 | -75.7 | 176.3 | 174 | 0 | 0 | 121.3 | ||||
| 31 | D | 32.9 | Very low | 32.1 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | 81.4 | 113.4 | 68.3 | -175.4 | 50.2 | 0 | 0 | 0 | 114.6 | |||||
| 32 | R | 33.6 | Very low | 32.3 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | -171.6 | 149.6 | 115.9 | -102.2 | 175.8 | 177.1 | -152.9 | -6.5 | 114 | |||||
| 33 | Q | 32.6 | Very low | 32.5 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -96.9 | 159.7 | 174.2 | -54.2 | 159.2 | -67.6 | 0 | 0 | 110.8 | ||||
| 34 | N | 34.5 | Very low | 32.7 | Very low | 141 Ų | 141 | 140.8 Ų | 140.8 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | 173.8 | 149.9 | 115.1 | -100.5 | -64.7 | 0 | 0 | 0 | 115.6 | |||||
| 35 | K | 34 | Very low | 32.9 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | trans | 66.1 | 148.3 | 155.1 | -74.3 | -171.1 | 170.2 | -175.2 | 0 | 117.7 | ||||
| 36 | L | 32.5 | Very low | 33.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | cis | -153.6 | 147 | -3.5 | -159.5 | 69.8 | 0 | 0 | 0 | 111 | ||||
| 37 | H | 34.5 | Very low | 33.4 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 78% | 0.778 | 72% | 0.72 | S | S | * | * | trans | 59.7 | 164.7 | 163.8 | -69.4 | -39.3 | 0 | 0 | 0 | 118.5 | ||||
| 38 | S | 32.1 | Very low | 33.3 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | cis | -164 | 168.5 | -38.8 | -163.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 39 | V | 32.3 | Very low | 33.1 | Very low | 125 Ų | 125 | 138 Ų | 138 | 76% | 0.758 | 71% | 0.714 | S | S | * | * | trans | 63.1 | 80.2 | 166.9 | -161.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 40 | K | 35.3 | Very low | 33.1 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | 42.1 | 125.3 | 111 | -80.1 | -174.1 | 131.2 | -67.8 | 0 | 122.8 | |||||
| 41 | D | 34.3 | Very low | 33 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | trans | 92.3 | 117 | 130.7 | -54.4 | -13.1 | 0 | 0 | 0 | 121.2 | ||||
| 42 | D | 33.5 | Very low | 32.8 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | 65.6 | 157.1 | 158.9 | -68.5 | -22.8 | 0 | 0 | 0 | 119.6 | ||||
| 43 | P | 35.1 | Very low | 32.7 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | cis | -124.5 | -156.5 | 11.3 | 44.8 | -30 | 0 | 0 | 0 | 115.3 | ||||
| 44 | S | 36.3 | Very low | 32.6 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -91.5 | 150.4 | -164.7 | 57.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 45 | S | 32.1 | Very low | 32.5 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | 69.2 | 109.4 | 148.6 | -164.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 46 | H | 35.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 58% | 0.583 | 74% | 0.737 | S | S | * | * | -163.8 | -162.7 | 103 | -110.9 | -77.4 | 0 | 0 | 0 | 113.6 | |||||
| 47 | H | 33.2 | Very low | 32.2 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | -74.1 | -179.5 | -170 | -98.5 | -141 | 0 | 0 | 0 | 114 | ||||
| 48 | C | 28.9 | Very low | 32 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 53% | 0.534 | 74% | 0.739 | S | S | . | * | cis | -162.3 | 171.2 | -33.5 | -161 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 49 | F | 28.1 | Very low | 32.2 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | 64.8 | 144.8 | 174.7 | -58.5 | -77.4 | 0 | 0 | 0 | 115.3 | ||||
| 50 | I | 31.8 | Very low | 32.5 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | -149.6 | 142 | 52.8 | -83.2 | 174.9 | 0 | 0 | 0 | 113.2 | |||||
| 51 | N | 29.2 | Very low | 32.8 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 33.1 | 110.6 | 153.9 | -67.4 | -23.4 | 0 | 0 | 0 | 123.7 | ||||
| 52 | S | 28.7 | Very low | 33.1 | Very low | 97 Ų | 97 | 149.2 Ų | 149.2 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | 61.6 | 118.3 | 122.1 | 76 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 53 | K | 32.6 | Very low | 34.2 | Very low | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | -168.6 | 121 | 117 | -100.5 | 152.4 | -173.3 | 174 | 0 | 112.6 | |||||
| 54 | N | 29.2 | Very low | 34.8 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 72% | 0.715 | S | S | * | * | trans | 22.7 | 100.8 | 158.1 | -71.6 | -37.7 | 0 | 0 | 0 | 120.7 | ||||
| 55 | R | 32.5 | Very low | 35.8 | Very low | 245 Ų | 245 | 141.3 Ų | 141.3 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | trans | -140.8 | 95.3 | 141.9 | -75.4 | -161.4 | 176.2 | 179.2 | 0.7 | 112.8 | S57 | R55-S57 PolarHBondContact O-N 3.36Š| ||
| 56 | K | 30.9 | Very low | 37.1 | Very low | 204 Ų | 204 | 140.5 Ų | 140.5 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | trans | -69.7 | 118.1 | 164.7 | -66.1 | 173.8 | 179.7 | 173.1 | 0 | 108.9 | ||||
| 57 | S | 30.9 | Very low | 38 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | trans | -162.6 | 134.8 | 172.3 | -94.1 | 0 | 0 | 0 | 0 | 116.4 | R55 | R55-S57 PolarHBondContact O-N 3.36Š| ||
| 58 | Y | 29.7 | Very low | 39.3 | Very low | 210 Ų | 210 | 137.9 Ų | 137.9 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | 49.6 | 66.4 | 155.3 | -51.2 | -59.5 | 0 | 0 | 0 | 120 | ||||
| 59 | K | 35.4 | Very low | 41 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -99.7 | 152.3 | 136.3 | -69.5 | -175.3 | 178.3 | -179.8 | 0 | 108.9 | ||
| 60 | N | 39.7 | Very low | 42.9 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 66% | 0.657 | S | S | * | * | trans | 63.7 | 65 | -175.5 | -59.1 | -16.4 | 0 | 0 | 0 | 116.4 | ||||
| 61 | R | 40.1 | Very low | 44.6 | Very low | 238 Ų | 238 | 130.1 Ų | 130.1 | 90% | 0.898 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.3 | 158.8 | -161.7 | -179.1 | -156.4 | -137.9 | 4.6 | 108.8 | ||
| 62 | P | 41.1 | Very low | 46.3 | Very low | 40 Ų | 40 | 128.5 Ų | 128.5 | 26% | 0.26 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 151.7 | 175.7 | -26.3 | 36.6 | 0 | 0 | 0 | 112.8 | M66 Y67 | P62-M66 HydrophobicContact CB-CB 4.19Å; P62-M66 HydrophobicContact CB-CE 4.09Å; P62-M66 HydrophobicContact CB-SD 3.8Å; P62-M66 HydrophobicContact CG-SD 4.31Å; P62-Y67 HydrophobicContact CG-CD2 4.4Å |
| 63 | S | 57.4 | Low | 48.2 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 48% | 0.483 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 149.8 | 159.2 | 171.3 | 0 | 0 | 0 | 0 | 110 | S65 M66 Y67 | S63-S65 VanDerWaalsContact C-N 3.25Å; S63-S65 PolarHBondContact O-N 2.98Å; S63-S65 PolarHBondContact OG-N 3.22Å; S63-S65 PolarHBondContact OG-OG 2.61Å; S63-M66 CarbonylContact O-C 3.4Å; S63-M66 WeakPolarHBondContact O-CA 3.25Å; S63-M66 PolarHBondContact O-N 3.45Å; S63-Y67 PolarHBondContact O-N 3.47Å |
| 64 | S | 47.7 | Very low | 49.9 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 57% | 0.566 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -53.2 | -44 | 176.5 | -168.5 | 0 | 0 | 0 | 0 | 111.6 | M66 Y67 R68 | S64-M66 PolarHBondContact O-N 2.75Å; S64-Y67 PolarHBondContact O-N 2.87Å; S64-R68 WeakPolarHBondContact O-CB 3.47Å; S64-R68 WeakPolarHBondContact O-CG 3.28Å; S64-R68 PolarHBondContact O-N 3.24Å |
| 65 | S | 56.9 | Low | 51.8 | Low | 79 Ų | 79 | 122.6 Ų | 122.6 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.5 | -38.2 | 175.3 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | S63 Y67 L69 | S63-S65 VanDerWaalsContact C-N 3.25Å; S63-S65 PolarHBondContact O-N 2.98Å; S63-S65 PolarHBondContact OG-N 3.22Å; S63-S65 PolarHBondContact OG-OG 2.61Å; S65-Y67 VanDerWaalsContact C-N 3.34Å; S65-L69 WeakPolarHBondContact O-CB 3.32Å; S65-L69 PolarHBondContact O-N 3.06Å |
| 66 | M | 59.5 | Low | 53.6 | Low | 75 Ų | 75 | 113 Ų | 113 | 37% | 0.369 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.7 | -25 | 176.9 | -161.9 | -127.6 | -64.3 | 0 | 0 | 112.6 | P62 S63 S64 K70 | P62-M66 HydrophobicContact CB-CB 4.19Å; P62-M66 HydrophobicContact CB-CE 4.09Å; P62-M66 HydrophobicContact CB-SD 3.8Å; P62-M66 HydrophobicContact CG-SD 4.31Å; S63-M66 CarbonylContact O-C 3.4Å; S63-M66 WeakPolarHBondContact O-CA 3.25Å; S63-M66 PolarHBondContact O-N 3.45Å; S64-M66 PolarHBondContact O-N 2.75Å; M66-K70 VanDerWaalsContact O-CB 3.28Å; M66-K70 WeakPolarHBondContact O-CB 3.34Å; M66-K70 WeakPolarHBondContact O-CG 3.08Å; M66-K70 PolarHBondContact O-N 3.01Å; M66-K70 VanDerWaalsContact O-N 3.09Å; M66-K70 HydrophobicContact SD-CD 4.09Å; M66-K70 WeakPolarHBondContact SD-CE 3.16Å; M66-K70 PolarHBondContact SD-NZ 3.36Å; M66-K70 VanDerWaalsContact SD-NZ 3.44Å |
| 67 | Y | 54.9 | Low | 55.2 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.9 | -50.1 | 170.9 | -166.3 | -104.8 | 0 | 0 | 0 | 110.8 | P62 S63 S64 S65 L69 K70 I71 | P62-Y67 HydrophobicContact CG-CD2 4.4Å; S63-Y67 PolarHBondContact O-N 3.47Å; S64-Y67 PolarHBondContact O-N 2.87Å; S65-Y67 VanDerWaalsContact C-N 3.34Å; Y67-L69 VanDerWaalsContact C-N 3.34Å; Y67-L69 PolarHBondContact O-N 3.15Å; Y67-K70 PolarHBondContact O-N 3.07Å; Y67-K70 VanDerWaalsContact O-N 3.14Å; Y67-I71 HydrophobicContact CD1-CD1 3.81Å; Y67-I71 HydrophobicContact CE1-CD1 3.52Å; Y67-I71 HydrophobicContact CE1-CG1 4.48Å; Y67-I71 PolarHBondContact O-N 3.26Å |
| 68 | R | 59.6 | Low | 56.6 | Low | 69 Ų | 69 | 107 Ų | 107 | 26% | 0.26 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -52 | -49.6 | 171.8 | -73.3 | 177.7 | 167.2 | 173.9 | -6.9 | 110.8 | S64 K70 I71 L72 E688 N692 L695 | S64-R68 WeakPolarHBondContact O-CB 3.47Å; S64-R68 WeakPolarHBondContact O-CG 3.28Å; S64-R68 PolarHBondContact O-N 3.24Å; R68-K70 PolarHBondContact O-N 2.88Å; R68-I71 PolarHBondContact O-N 2.8Å; R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.05Å; R68-E688 IonicContact NH2-OE1 3.75Å; R68-N692 PolarHBondContact NH2-OD1 3.49Å; R68-L695 HydrophobicContact CG-CD1 3.99Å; R68-L695 HydrophobicContact CG-CD2 4.36Å |
| 69 | L | 64.9 | Low | 58.2 | Low | 92 Ų | 92 | 101.2 Ų | 101.2 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -33.1 | 178.5 | -173 | 64 | 0 | 0 | 0 | 113.5 | S65 Y67 K73 | S65-L69 WeakPolarHBondContact O-CB 3.32Å; S65-L69 PolarHBondContact O-N 3.06Å; Y67-L69 VanDerWaalsContact C-N 3.34Å; Y67-L69 PolarHBondContact O-N 3.15Å; L69-K73 HydrophobicContact CD1-CG 4.36Å; L69-K73 WeakPolarHBondContact O-CB 3.46Å; L69-K73 WeakPolarHBondContact O-CG 3.5Å; L69-K73 PolarHBondContact O-N 2.76Å |
| 70 | K | 68.2 | Low | 59.7 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.8 | -33.4 | 173.2 | -84.1 | 177.2 | 176.2 | 179.1 | 0 | 112.6 | M66 Y67 R68 R74 | M66-K70 VanDerWaalsContact O-CB 3.28Å; M66-K70 WeakPolarHBondContact O-CB 3.34Å; M66-K70 WeakPolarHBondContact O-CG 3.08Å; M66-K70 PolarHBondContact O-N 3.01Å; M66-K70 VanDerWaalsContact O-N 3.09Å; M66-K70 HydrophobicContact SD-CD 4.09Å; M66-K70 WeakPolarHBondContact SD-CE 3.16Å; M66-K70 PolarHBondContact SD-NZ 3.36Å; M66-K70 VanDerWaalsContact SD-NZ 3.44Å; Y67-K70 PolarHBondContact O-N 3.07Å; Y67-K70 VanDerWaalsContact O-N 3.14Å; R68-K70 PolarHBondContact O-N 2.88Å; K70-R74 WeakPolarHBondContact O-CB 3.41Å; K70-R74 PolarHBondContact O-N 2.81Å; K70-R74 VanDerWaalsContact O-N 3.15Å |
| 71 | I | 68 | Low | 60.7 | Low | 33 Ų | 33 | 96 Ų | 96 | 17% | 0.169 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.6 | -53.2 | 171 | -70.1 | 170.6 | 0 | 0 | 0 | 109.3 | Y67 R68 K73 R74 C75 | Y67-I71 HydrophobicContact CD1-CD1 3.81Å; Y67-I71 HydrophobicContact CE1-CD1 3.52Å; Y67-I71 HydrophobicContact CE1-CG1 4.48Å; Y67-I71 PolarHBondContact O-N 3.26Å; R68-I71 PolarHBondContact O-N 2.8Å; I71-K73 PolarHBondContact O-N 3.11Å; I71-R74 CarbonylContact O-C 3.53Å; I71-R74 WeakPolarHBondContact O-CA 3.04Å; I71-R74 WeakPolarHBondContact O-CB 2.97Å; I71-R74 PolarHBondContact O-N 3.09Å; I71-C75 PolarHBondContact O-N 3.47Å; I71-C75 PolarHBondContact O-SG 3.28Å; I71-C75 VanDerWaalsContact O-SG 3.32Å |
| 72 | L | 65.1 | Low | 61.7 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 53% | 0.534 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.9 | -47.9 | 178.1 | -69.8 | 166.4 | 0 | 0 | 0 | 112.5 | R68 R74 C75 G76 | R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.05Å; L72-R74 PolarHBondContact O-N 2.66Å; L72-C75 PolarHBondContact O-N 3.05Å; L72-G76 PolarHBondContact O-N 2.64Å |
| 73 | K | 69 | Low | 62.5 | Low | 105 Ų | 105 | 92.1 Ų | 92.1 | 46% | 0.457 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -2.9 | 173.7 | -69.6 | -163.1 | 177 | -163.3 | 0 | 114.3 | L69 I71 R77 F1157 | L69-K73 HydrophobicContact CD1-CG 4.36Å; L69-K73 WeakPolarHBondContact O-CB 3.46Å; L69-K73 WeakPolarHBondContact O-CG 3.5Å; L69-K73 PolarHBondContact O-N 2.76Å; I71-K73 PolarHBondContact O-N 3.11Å; K73-R77 PolarHBondContact O-NE 3.21Å; K73-R77 PolarHBondContact O-NH2 2.85Å; K73-R77 VanDerWaalsContact O-NH2 3.08Å; K73-F1157 HydrophobicContact CD-CE2 4.37Å |
| 74 | R | 68.1 | Low | 61.9 | Low | 168 Ų | 168 | 90 Ų | 90 | 63% | 0.634 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -98.7 | -46 | 168.3 | -171.8 | 172.4 | -176.4 | 133.7 | 3.4 | 110.9 | K70 I71 L72 R77 H78 | K70-R74 WeakPolarHBondContact O-CB 3.41Å; K70-R74 PolarHBondContact O-N 2.81Å; K70-R74 VanDerWaalsContact O-N 3.15Å; I71-R74 CarbonylContact O-C 3.53Å; I71-R74 WeakPolarHBondContact O-CA 3.04Å; I71-R74 WeakPolarHBondContact O-CB 2.97Å; I71-R74 PolarHBondContact O-N 3.09Å; L72-R74 PolarHBondContact O-N 2.66Å; R74-R77 PolarHBondContact O-N 2.88Å; R74-H78 PolarHBondContact O-N 3.11Å |
| 75 | C | 68.2 | Low | 61.9 | Low | 48 Ų | 48 | 93 Ų | 93 | 32% | 0.324 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -55.7 | -50.9 | 173.9 | -62 | 0 | 0 | 0 | 0 | 111.1 | I71 L72 R77 H78 L79 | I71-C75 PolarHBondContact O-N 3.47Å; I71-C75 PolarHBondContact O-SG 3.28Å; I71-C75 VanDerWaalsContact O-SG 3.32Å; L72-C75 PolarHBondContact O-N 3.05Å; C75-R77 VanDerWaalsContact C-N 3.27Å; C75-R77 PolarHBondContact O-N 3.48Å; C75-H78 PolarHBondContact O-N 3.47Å; C75-H78 VanDerWaalsContact O-N 3.11Å; C75-L79 WeakPolarHBondContact O-CB 2.81Å; C75-L79 PolarHBondContact O-N 3.5Å |
| 76 | G | 70.8 | Confident | 61.4 | Low | 43 Ų | 43 | 94.6 Ų | 94.6 | 44% | 0.443 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.8 | -29.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L72 K80 | L72-G76 PolarHBondContact O-N 2.64Å; G76-K80 PolarHBondContact O-N 3.05Å |
| 77 | R | 63.6 | Low | 60.6 | Low | 111 Ų | 111 | 96.8 Ų | 96.8 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -81.4 | -29.6 | 174.2 | -80.4 | -175.5 | -67.2 | 176.5 | 3.9 | 113.4 | K73 R74 C75 R81 | K73-R77 PolarHBondContact O-NE 3.21Å; K73-R77 PolarHBondContact O-NH2 2.85Å; K73-R77 VanDerWaalsContact O-NH2 3.08Å; R74-R77 PolarHBondContact O-N 2.88Å; C75-R77 VanDerWaalsContact C-N 3.27Å; C75-R77 PolarHBondContact O-N 3.48Å; R77-R81 WeakPolarHBondContact O-CG 3.48Å; R77-R81 PolarHBondContact O-N 3.19Å |
| 78 | H | 60.9 | Low | 59.8 | Low | 59 Ų | 59 | 94.1 Ų | 94.1 | 27% | 0.273 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68 | -45.3 | 167.8 | -92.9 | -111.4 | 0 | 0 | 0 | 110.6 | R74 C75 K80 R81 L82 | R74-H78 PolarHBondContact O-N 3.11Å; C75-H78 PolarHBondContact O-N 3.47Å; C75-H78 VanDerWaalsContact O-N 3.11Å; H78-K80 PolarHBondContact O-N 2.99Å; H78-R81 PolarHBondContact O-N 3.26Å; H78-R81 VanDerWaalsContact O-N 3.1Å; H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 PolarHBondContact O-N 3.27Å |
| 79 | L | 64.3 | Low | 59 | Low | 88 Ų | 88 | 95.3 Ų | 95.3 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 175.7 | -165 | 70.8 | 0 | 0 | 0 | 111.5 | C75 R81 L82 I83 | C75-L79 WeakPolarHBondContact O-CB 2.81Å; C75-L79 PolarHBondContact O-N 3.5Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3Å; L79-L82 PolarHBondContact O-N 2.89Å; L79-L82 VanDerWaalsContact O-N 3.16Å; L79-I83 HydrophobicContact CG-CD1 4.16Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 3.33Å |
| 80 | K | 66.9 | Low | 57.6 | Low | 124 Ų | 124 | 97.5 Ų | 97.5 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | 175.1 | -162.1 | -170.5 | 178.8 | -162.2 | 0 | 112.9 | G76 H78 G84 T1153 | G76-K80 PolarHBondContact O-N 3.05Å; H78-K80 PolarHBondContact O-N 2.99Å; K80-G84 PolarHBondContact O-N 3.15Å; K80-T1153 PolarHBondContact NZ-OG1 3.25Å |
| 81 | R | 59.9 | Low | 55.9 | Low | 125 Ų | 125 | 99.7 Ų | 99.7 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.6 | -36.1 | 174.5 | -73.6 | -170.9 | -168.1 | 131.4 | -1.4 | 113.4 | R77 H78 L79 I83 G84 H85 M1154 | R77-R81 WeakPolarHBondContact O-CG 3.48Å; R77-R81 PolarHBondContact O-N 3.19Å; H78-R81 PolarHBondContact O-N 3.26Å; H78-R81 VanDerWaalsContact O-N 3.1Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3Å; R81-I83 PolarHBondContact O-N 3.28Å; R81-G84 PolarHBondContact O-N 3.28Å; R81-H85 WeakPolarHBondContact O-CB 3.47Å; R81-H85 PolarHBondContact O-N 3.3Å; R81-M1154 VanDerWaalsContact NH2-CE 3.32Å |
| 82 | L | 60.6 | Low | 54.3 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -24.9 | 176.7 | -123.7 | 149.9 | 0 | 0 | 0 | 112 | H78 L79 K86 | H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 PolarHBondContact O-N 3.27Å; L79-L82 PolarHBondContact O-N 2.89Å; L79-L82 VanDerWaalsContact O-N 3.16Å; L82-K86 WeakPolarHBondContact O-CB 3.44Å |
| 83 | I | 57.6 | Low | 52.9 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -78.3 | -46.8 | 169.3 | -66.2 | 163.3 | 0 | 0 | 0 | 110.5 | L79 R81 K86 M87 | L79-I83 HydrophobicContact CG-CD1 4.16Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 3.33Å; R81-I83 PolarHBondContact O-N 3.28Å; I83-K86 CarbonylContact O-C 3.54Å; I83-K86 PolarHBondContact O-N 3.36Å; I83-M87 PolarHBondContact O-N 2.9Å |
| 84 | G | 46.4 | Very low | 51.1 | Low | 26 Ų | 26 | 108.5 Ų | 108.5 | 27% | 0.268 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -53.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K80 R81 K86 M87 D88 | K80-G84 PolarHBondContact O-N 3.15Å; R81-G84 PolarHBondContact O-N 3.28Å; G84-K86 PolarHBondContact O-N 3.02Å; G84-M87 PolarHBondContact O-N 3.19Å; G84-D88 PolarHBondContact O-N 3.2Å |
| 85 | H | 47.5 | Very low | 49.4 | Very low | 142 Ų | 142 | 107.2 Ų | 107.2 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 8.6 | 174.1 | -82.6 | -10.5 | 0 | 0 | 0 | 114.3 | R81 D88 V89 | R81-H85 WeakPolarHBondContact O-CB 3.47Å; R81-H85 PolarHBondContact O-N 3.3Å; H85-D88 IonicContact ND1-OD2 2.66Å; H85-D88 PolarHBondContact ND1-OD2 2.82Å; H85-V89 WeakPolarHBondContact O-CG2 3.47Å |
| 86 | K | 45.5 | Very low | 47.7 | Very low | 113 Ų | 113 | 112.6 Ų | 112.6 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.2 | 24.9 | 168 | -148.2 | -170.8 | 177.9 | -166 | 0 | 112 | L82 I83 G84 | L82-K86 WeakPolarHBondContact O-CB 3.44Å; I83-K86 CarbonylContact O-C 3.54Å; I83-K86 PolarHBondContact O-N 3.36Å; G84-K86 PolarHBondContact O-N 3.02Å |
| 87 | M | 43.1 | Very low | 46.2 | Very low | 121 Ų | 121 | 117 Ų | 117 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -42.6 | 164.2 | -73.1 | 175 | 155 | 0 | 0 | 109 | I83 G84 V89 | I83-M87 PolarHBondContact O-N 2.9Å; G84-M87 PolarHBondContact O-N 3.19Å; M87-V89 PolarHBondContact O-N 3.38Å |
| 88 | D | 38.9 | Very low | 44.9 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | 14.2 | 177.1 | -47.3 | -40.4 | 0 | 0 | 0 | 116.2 | G84 H85 | G84-D88 PolarHBondContact O-N 3.2Å; H85-D88 IonicContact ND1-OD2 2.66Å; H85-D88 PolarHBondContact ND1-OD2 2.82Å |
| 89 | V | 41.3 | Very low | 43.6 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | -16.6 | -166.6 | -177.2 | 0 | 0 | 0 | 0 | 114.4 | H85 M87 | H85-V89 WeakPolarHBondContact O-CG2 3.47Å; M87-V89 PolarHBondContact O-N 3.38Å |
| 90 | D | 35.7 | Very low | 42.4 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -111.9 | 15.1 | -178 | -67.5 | -52.3 | 0 | 0 | 0 | 112.8 | ||
| 91 | E | 33.6 | Very low | 40.9 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -116.7 | 18.2 | -168.8 | -158.5 | 165.6 | -146.6 | 0 | 0 | 114.3 | ||
| 92 | T | 34.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -129.4 | 9.3 | -175.9 | 57.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 93 | V | 34.4 | Very low | 38.6 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -143.4 | 80.9 | 178.9 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 94 | F | 31.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -173 | 133.4 | 144.4 | -105.9 | -70.5 | 0 | 0 | 0 | 110 | ||
| 95 | E | 32.6 | Very low | 36.4 | Very low | 141 Ų | 141 | 141 Ų | 141 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | trans | 8.3 | 134 | 159.5 | -67.3 | 142.3 | -160.6 | 0 | 0 | 119.5 | ||||
| 96 | N | 31.8 | Very low | 35.4 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | cis | 49.4 | 67.4 | 7.9 | -85.6 | 15.6 | 0 | 0 | 0 | 115.7 | ||||
| 97 | N | 39.1 | Very low | 34.6 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -161 | 154.2 | 145 | -89.1 | -45.7 | 0 | 0 | 0 | 108.5 | ||||
| 98 | D | 37.4 | Very low | 33.9 | Very low | 159 Ų | 159 | 142.6 Ų | 142.6 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -82.2 | 165.5 | -155 | -58 | -77.6 | 0 | 0 | 0 | 117.1 | ||||
| 99 | E | 33.9 | Very low | 33.4 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -56.6 | 140.2 | 173.5 | -52.8 | 173.5 | 144.4 | 0 | 0 | 111.9 | ||||
| 100 | N | 38.2 | Very low | 32.9 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -161.9 | 153.4 | 150.5 | -105.3 | -75.2 | 0 | 0 | 0 | 111.5 | ||||
| 101 | E | 36.4 | Very low | 32.6 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -56.8 | 151.3 | -160.8 | -59.8 | 169.8 | 148.5 | 0 | 0 | 118.1 | ||||
| 102 | D | 32.4 | Very low | 32.3 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 23.9 | 116.2 | 138.7 | -57.3 | -20.3 | 0 | 0 | 0 | 119.7 | ||||
| 103 | D | 38.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | -166.9 | 170.3 | 98.3 | -141.2 | -26.2 | 0 | 0 | 0 | 113.4 | |||||
| 104 | N | 30.4 | Very low | 32 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -79.2 | 120.8 | -179.5 | -70.1 | -95.1 | 0 | 0 | 0 | 112.9 | ||||
| 105 | C | 28.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | -149.6 | 106 | 147.9 | -146.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 106 | S | 26.5 | Very low | 31.8 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 119.6 | 165.5 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 107 | F | 29.2 | Very low | 31.7 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -113.5 | 117.3 | 169.4 | -117.2 | -88.6 | 0 | 0 | 0 | 112.4 | ||||
| 108 | S | 27.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 149.6 | -177.7 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 109 | T | 28.2 | Very low | 30.9 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -56.6 | 151.4 | 156 | 51.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 110 | N | 30.1 | Very low | 30.7 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 83 | 62.5 | 177.8 | -43.9 | -40.5 | 0 | 0 | 0 | 117.7 | ||
| 111 | S | 29.5 | Very low | 30.5 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 175.9 | 126.3 | 127.5 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 112 | C | 28.1 | Very low | 30.6 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -162.2 | 85.4 | 152 | -159.5 | 0 | 0 | 0 | 0 | 112.1 | T114 | C112-T114 PolarHBondContact O-N 2.84Š| ||
| 113 | P | 31.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | trans | -90.9 | 82.9 | 171.3 | 34.9 | -30.8 | 0 | 0 | 0 | 111.2 | ||||
| 114 | T | 31.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | -133 | 95.3 | 172.8 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | C112 | C112-T114 PolarHBondContact O-N 2.84Š| ||
| 115 | I | 29.4 | Very low | 32.1 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | 72.6 | 88 | 71.4 | -58.3 | 172.4 | 0 | 0 | 0 | 112.4 | |||||
| 116 | T | 31.1 | Very low | 32.9 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | 53.3 | 75 | 126.5 | -41.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 117 | R | 29.7 | Very low | 34.4 | Very low | 238 Ų | 238 | 130.1 Ų | 130.1 | 90% | 0.898 | 74% | 0.737 | S | S | * | * | trans | 178.2 | 99.1 | 134.3 | -98.3 | 162.1 | -168.9 | -151.1 | 5.1 | 110.9 | ||||
| 118 | L | 31.6 | Very low | 35.8 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 95% | 0.948 | 72% | 0.717 | S | S | * | * | trans | -171 | 126.5 | 151.3 | -106.2 | 159.3 | 0 | 0 | 0 | 108 | ||||
| 119 | S | 28.1 | Very low | 37.4 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | trans | -99.1 | 144.9 | -169 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | S121 | S119-S121 PolarHBondContact O-N 3.24Š| ||
| 120 | S | 29.4 | Very low | 39.5 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 60.3 | 40.1 | 148.9 | 60.4 | 0 | 0 | 0 | 0 | 119.7 | ||
| 121 | S | 32.4 | Very low | 41.2 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -162.2 | 55.2 | 170 | 52.1 | 0 | 0 | 0 | 0 | 116.8 | S119 | S119-S121 PolarHBondContact O-N 3.24Š| ||
| 122 | S | 38.9 | Very low | 43.3 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -154.6 | 20.4 | 177.3 | -91.1 | 0 | 0 | 0 | 0 | 119.4 | T124 Y125 L126 | S122-T124 PolarHBondContact O-N 2.81Å; S122-Y125 PolarHBondContact O-N 3.32Å; S122-L126 PolarHBondContact O-N 3.44Å | ||
| 123 | S | 44.1 | Very low | 45.6 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -56.7 | -47.6 | 176.1 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | Y125 L126 H127 | S123-Y125 PolarHBondContact O-N 3.06Å; S123-L126 PolarHBondContact O-N 2.79Å; S123-H127 PolarHBondContact O-N 3.18Å; S123-H127 VanDerWaalsContact O-N 3.12Å |
| 124 | T | 46.9 | Very low | 47.8 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | -178.5 | -22.1 | 0 | 0 | 0 | 0 | 112.6 | S122 H127 Q128 | S122-T124 PolarHBondContact O-N 2.81Å; T124-H127 PolarHBondContact O-N 3.25Å; T124-Q128 PolarHBondContact O-N 3.32Å |
| 125 | Y | 42.1 | Very low | 49.8 | Very low | 173 Ų | 173 | 121 Ų | 121 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.1 | -41.8 | -179.7 | -121.4 | -86.7 | 0 | 0 | 0 | 111.8 | S122 S123 H127 Q128 C129 | S122-Y125 PolarHBondContact O-N 3.32Å; S123-Y125 PolarHBondContact O-N 3.06Å; Y125-H127 VanDerWaalsContact C-N 3.31Å; Y125-H127 PolarHBondContact O-N 3.18Å; Y125-Q128 PolarHBondContact O-N 3.43Å; Y125-C129 PolarHBondContact O-N 2.79Å; Y125-C129 PolarHBondContact O-SG 2.98Å |
| 126 | L | 45.5 | Very low | 51.9 | Low | 135 Ų | 135 | 120.7 Ų | 120.7 | 71% | 0.707 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65 | -36.2 | 176.1 | -126.7 | 170.9 | 0 | 0 | 0 | 111.7 | S122 S123 R130 | S122-L126 PolarHBondContact O-N 3.44Å; S123-L126 PolarHBondContact O-N 2.79Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 3.15Å |
| 127 | H | 57 | Low | 54.3 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 58% | 0.579 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.6 | -43.7 | 174.5 | -148.3 | -84.4 | 0 | 0 | 0 | 112 | S123 T124 Y125 R130 E131 | S123-H127 PolarHBondContact O-N 3.18Å; S123-H127 VanDerWaalsContact O-N 3.12Å; T124-H127 PolarHBondContact O-N 3.25Å; Y125-H127 VanDerWaalsContact C-N 3.31Å; Y125-H127 PolarHBondContact O-N 3.18Å; H127-R130 WeakPolarHBondContact O-CB 3.44Å; H127-R130 PolarHBondContact O-N 3.39Å; H127-E131 PolarHBondContact O-N 3.05Å |
| 128 | Q | 59.9 | Low | 56.7 | Low | 88 Ų | 88 | 114.9 Ų | 114.9 | 41% | 0.411 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.1 | -44.4 | 178.5 | -167.8 | 64.4 | 58 | 0 | 0 | 112.1 | T124 Y125 R130 E131 N132 | T124-Q128 PolarHBondContact O-N 3.32Å; Y125-Q128 PolarHBondContact O-N 3.43Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.01Å; Q128-E131 PolarHBondContact O-N 3.4Å; Q128-N132 PolarHBondContact NE2-OD1 3.3Å; Q128-N132 WeakPolarHBondContact O-CB 3.46Å; Q128-N132 PolarHBondContact O-N 2.75Å; Q128-N132 PolarHBondContact O-OD1 2.84Å |
| 129 | C | 61.2 | Low | 58.7 | Low | 75 Ų | 75 | 110.6 Ų | 110.6 | 51% | 0.507 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.8 | -37.7 | 175 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | Y125 C133 | Y125-C129 PolarHBondContact O-N 2.79Å; Y125-C129 PolarHBondContact O-SG 2.98Å; C129-C133 WeakPolarHBondContact O-CB 3.41Å; C129-C133 PolarHBondContact O-N 3.15Å |
| 130 | R | 70.9 | Confident | 61.3 | Low | 177 Ų | 177 | 113 Ų | 113 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.3 | -42.3 | 176.4 | -166.4 | 178.4 | -171.9 | -174.5 | 3 | 111.9 | L126 H127 Q128 C133 I134 | L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 3.15Å; H127-R130 WeakPolarHBondContact O-CB 3.44Å; H127-R130 PolarHBondContact O-N 3.39Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.01Å; R130-C133 PolarHBondContact O-N 3.28Å; R130-I134 HydrophobicContact CG-CD1 4.42Å; R130-I134 WeakPolarHBondContact O-CG1 3.3Å; R130-I134 PolarHBondContact O-N 3.31Å; R130-I134 VanDerWaalsContact O-N 3.11Å |
| 131 | E | 67.6 | Low | 63.8 | Low | 71 Ų | 71 | 111.3 Ų | 111.3 | 33% | 0.332 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -44.1 | 177.4 | -160 | -169.3 | 137.7 | 0 | 0 | 111.8 | H127 Q128 C133 I134 R135 | H127-E131 PolarHBondContact O-N 3.05Å; Q128-E131 PolarHBondContact O-N 3.4Å; E131-C133 VanDerWaalsContact C-N 3.3Å; E131-C133 PolarHBondContact O-N 3.17Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-I134 VanDerWaalsContact O-N 3.09Å; E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 3.41Å; E131-R135 IonicContact OE1-CZ 3.89Å; E131-R135 IonicContact OE1-NE 2.88Å; E131-R135 PolarHBondContact OE1-NE 3.43Å; E131-R135 IonicContact OE1-NH2 2.72Å; E131-R135 PolarHBondContact OE1-NH2 3.25Å |
| 132 | N | 72 | Confident | 66.1 | Low | 74 Ų | 74 | 109.4 Ų | 109.4 | 40% | 0.396 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59 | -41.4 | 175.6 | -70.5 | 1.5 | 0 | 0 | 0 | 111.4 | Q128 I134 R135 M136 | Q128-N132 PolarHBondContact NE2-OD1 3.3Å; Q128-N132 WeakPolarHBondContact O-CB 3.46Å; Q128-N132 PolarHBondContact O-N 2.75Å; Q128-N132 PolarHBondContact O-OD1 2.84Å; N132-I134 PolarHBondContact O-N 3.36Å; N132-R135 PolarHBondContact O-N 3Å; N132-M136 WeakPolarHBondContact O-CB 3.35Å; N132-M136 WeakPolarHBondContact O-CG 3.42Å; N132-M136 PolarHBondContact O-N 3Å |
| 133 | C | 76.1 | Confident | 67.9 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -39.4 | 174.9 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | C129 R130 E131 K137 | C129-C133 WeakPolarHBondContact O-CB 3.41Å; C129-C133 PolarHBondContact O-N 3.15Å; R130-C133 PolarHBondContact O-N 3.28Å; E131-C133 VanDerWaalsContact C-N 3.3Å; E131-C133 PolarHBondContact O-N 3.17Å; C133-K137 PolarHBondContact O-N 3.07Å |
| 134 | I | 77.3 | Confident | 69.7 | Low | 94 Ų | 94 | 110.5 Ų | 110.5 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 174.2 | -68.5 | 164.9 | 0 | 0 | 0 | 110.9 | R130 E131 N132 M136 K137 I138 | R130-I134 HydrophobicContact CG-CD1 4.42Å; R130-I134 WeakPolarHBondContact O-CG1 3.3Å; R130-I134 PolarHBondContact O-N 3.31Å; R130-I134 VanDerWaalsContact O-N 3.11Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-I134 VanDerWaalsContact O-N 3.09Å; N132-I134 PolarHBondContact O-N 3.36Å; I134-M136 PolarHBondContact O-N 2.92Å; I134-K137 PolarHBondContact O-N 2.91Å; I134-I138 HydrophobicContact CG2-CD1 3.79Å; I134-I138 HydrophobicContact CG2-CG1 4.48Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 2.72Å |
| 135 | R | 74.9 | Confident | 71.3 | Confident | 141 Ų | 141 | 111 Ų | 111 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 175.9 | -70.6 | 180 | -177.4 | -151.9 | 4.9 | 111.2 | E131 N132 K137 I138 L139 | E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 3.41Å; E131-R135 IonicContact OE1-CZ 3.89Å; E131-R135 IonicContact OE1-NE 2.88Å; E131-R135 PolarHBondContact OE1-NE 3.43Å; E131-R135 IonicContact OE1-NH2 2.72Å; E131-R135 PolarHBondContact OE1-NH2 3.25Å; N132-R135 PolarHBondContact O-N 3Å; R135-K137 VanDerWaalsContact C-N 3.32Å; R135-K137 PolarHBondContact O-N 2.9Å; R135-I138 PolarHBondContact O-N 3.15Å; R135-L139 WeakPolarHBondContact O-CB 3.4Å; R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 2.96Å |
| 136 | M | 72.9 | Confident | 72.8 | Confident | 130 Ų | 130 | 107.2 Ų | 107.2 | 64% | 0.64 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61 | -37.6 | 177.1 | -73.4 | -60.8 | -73.7 | 0 | 0 | 112.9 | N132 I134 L139 K140 | N132-M136 WeakPolarHBondContact O-CB 3.35Å; N132-M136 WeakPolarHBondContact O-CG 3.42Å; N132-M136 PolarHBondContact O-N 3Å; I134-M136 PolarHBondContact O-N 2.92Å; M136-L139 HydrophobicContact SD-CD1 4.34Å; M136-K140 WeakPolarHBondContact O-CB 3.06Å; M136-K140 PolarHBondContact O-N 3.44Å |
| 137 | K | 82.1 | Confident | 74.5 | Confident | 143 Ų | 143 | 105.3 Ų | 105.3 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.6 | -44.6 | 175.5 | -168.1 | 165.7 | -175.6 | 173.2 | 0 | 112 | C133 I134 R135 L139 K140 D141 | C133-K137 PolarHBondContact O-N 3.07Å; I134-K137 PolarHBondContact O-N 2.91Å; R135-K137 VanDerWaalsContact C-N 3.32Å; R135-K137 PolarHBondContact O-N 2.9Å; K137-L139 PolarHBondContact O-N 3.13Å; K137-K140 PolarHBondContact O-N 3.36Å; K137-D141 PolarHBondContact O-N 3.22Å |
| 138 | I | 79.3 | Confident | 75.7 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.6 | -67.6 | 167.5 | 0 | 0 | 0 | 111 | I134 R135 D141 V142 | I134-I138 HydrophobicContact CG2-CD1 3.79Å; I134-I138 HydrophobicContact CG2-CG1 4.48Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 2.72Å; R135-I138 PolarHBondContact O-N 3.15Å; I138-D141 PolarHBondContact O-N 2.89Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.16Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 3.47Å |
| 139 | L | 75 | Confident | 76.7 | Confident | 92 Ų | 92 | 104.5 Ų | 104.5 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 176.4 | -73.1 | 169.8 | 0 | 0 | 0 | 111.7 | R135 M136 K137 V142 Q143 | R135-L139 WeakPolarHBondContact O-CB 3.4Å; R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 2.96Å; M136-L139 HydrophobicContact SD-CD1 4.34Å; K137-L139 PolarHBondContact O-N 3.13Å; L139-V142 PolarHBondContact O-N 3.11Å; L139-Q143 WeakPolarHBondContact O-CB 3.08Å; L139-Q143 PolarHBondContact O-N 3.34Å |
| 140 | K | 82.3 | Confident | 77.4 | Confident | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.609 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 178 | -165.5 | 165.3 | -171.9 | 166.9 | 0 | 112.5 | M136 K137 Q143 N144 | M136-K140 WeakPolarHBondContact O-CB 3.06Å; M136-K140 PolarHBondContact O-N 3.44Å; K137-K140 PolarHBondContact O-N 3.36Å; K140-Q143 PolarHBondContact O-N 2.89Å; K140-N144 WeakPolarHBondContact O-CB 3.34Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.07Å; K140-N144 PolarHBondContact O-ND2 3.15Å |
| 141 | D | 80.9 | Confident | 78 | Confident | 85 Ų | 85 | 102.7 Ų | 102.7 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.1 | -72.9 | -25.2 | 0 | 0 | 0 | 111.8 | K137 I138 N144 Q145 | K137-D141 PolarHBondContact O-N 3.22Å; I138-D141 PolarHBondContact O-N 2.89Å; D141-N144 PolarHBondContact O-N 3.33Å; D141-Q145 WeakPolarHBondContact O-CG 3.16Å; D141-Q145 PolarHBondContact O-N 2.87Å |
| 142 | V | 80.5 | Confident | 78.7 | Confident | 64 Ų | 64 | 103.6 Ų | 103.6 | 39% | 0.388 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 173.1 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | I138 L139 Q145 Q146 | I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.16Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 3.47Å; L139-V142 PolarHBondContact O-N 3.11Å; V142-Q145 PolarHBondContact O-N 2.89Å; V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.42Å |
| 143 | Q | 77.5 | Confident | 79 | Confident | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 177.9 | -164.4 | 174.9 | 17.4 | 0 | 0 | 111.8 | L139 K140 Q146 N147 | L139-Q143 WeakPolarHBondContact O-CB 3.08Å; L139-Q143 PolarHBondContact O-N 3.34Å; K140-Q143 PolarHBondContact O-N 2.89Å; Q143-Q146 PolarHBondContact O-N 2.81Å; Q143-N147 WeakPolarHBondContact O-CB 3.23Å; Q143-N147 VanDerWaalsContact O-CG 3.24Å; Q143-N147 PolarHBondContact O-N 3.43Å; Q143-N147 PolarHBondContact O-ND2 2.97Å |
| 144 | N | 81.7 | Confident | 79.1 | Confident | 87 Ų | 87 | 101.5 Ų | 101.5 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 171.9 | -76.2 | -27.5 | 0 | 0 | 0 | 112.3 | K140 D141 N147 K148 | K140-N144 WeakPolarHBondContact O-CB 3.34Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.07Å; K140-N144 PolarHBondContact O-ND2 3.15Å; D141-N144 PolarHBondContact O-N 3.33Å; N144-N147 PolarHBondContact O-N 3.29Å; N144-K148 WeakPolarHBondContact O-CB 3.42Å; N144-K148 PolarHBondContact O-N 2.93Å |
| 145 | Q | 79.7 | Confident | 79.2 | Confident | 130 Ų | 130 | 103.4 Ų | 103.4 | 61% | 0.607 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 175.1 | -66.4 | -62.8 | -28.1 | 0 | 0 | 112.1 | D141 V142 K148 L149 | D141-Q145 WeakPolarHBondContact O-CG 3.16Å; D141-Q145 PolarHBondContact O-N 2.87Å; V142-Q145 PolarHBondContact O-N 2.89Å; Q145-K148 PolarHBondContact O-N 3.12Å; Q145-L149 WeakPolarHBondContact O-CB 3.17Å; Q145-L149 PolarHBondContact O-N 3.49Å |
| 146 | Q | 74.7 | Confident | 79.3 | Confident | 93 Ų | 93 | 102.6 Ų | 102.6 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 175.7 | 179.7 | 167.9 | -31.2 | 0 | 0 | 112 | V142 Q143 L149 S150 | V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.42Å; Q143-Q146 PolarHBondContact O-N 2.81Å; Q146-L149 PolarHBondContact O-N 3.38Å; Q146-S150 WeakPolarHBondContact O-CB 3.29Å; Q146-S150 PolarHBondContact O-N 3.17Å |
| 147 | N | 81.4 | Confident | 79.7 | Confident | 94 Ų | 94 | 103 Ų | 103 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 175.1 | -72.2 | -14.4 | 0 | 0 | 0 | 111.5 | Q143 N144 S150 Q151 | Q143-N147 WeakPolarHBondContact O-CB 3.23Å; Q143-N147 VanDerWaalsContact O-CG 3.24Å; Q143-N147 PolarHBondContact O-N 3.43Å; Q143-N147 PolarHBondContact O-ND2 2.97Å; N144-N147 PolarHBondContact O-N 3.29Å; N147-S150 WeakPolarHBondContact O-CB 3.35Å; N147-S150 PolarHBondContact O-N 3.45Å; N147-Q151 PolarHBondContact O-N 3.02Å |
| 148 | K | 82.4 | Confident | 79.7 | Confident | 112 Ų | 112 | 101 Ų | 101 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 175.8 | -173.4 | 178.6 | 178 | -172.4 | 0 | 112.1 | N144 Q145 S150 Q151 E152 | N144-K148 WeakPolarHBondContact O-CB 3.42Å; N144-K148 PolarHBondContact O-N 2.93Å; Q145-K148 PolarHBondContact O-N 3.12Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.03Å; K148-Q151 WeakPolarHBondContact O-CB 3.49Å; K148-Q151 PolarHBondContact O-N 3.13Å; K148-E152 WeakPolarHBondContact CE-OE1 3.1Å; K148-E152 IonicContact NZ-OE1 2.8Å; K148-E152 PolarHBondContact O-N 3.38Å |
| 149 | L | 79.5 | Confident | 79.7 | Confident | 84 Ų | 84 | 101.2 Ų | 101.2 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 177 | -177 | 62.2 | 0 | 0 | 0 | 112.1 | Q145 Q146 V153 | Q145-L149 WeakPolarHBondContact O-CB 3.17Å; Q145-L149 PolarHBondContact O-N 3.49Å; Q146-L149 PolarHBondContact O-N 3.38Å; L149-V153 HydrophobicContact CD1-CG2 4.34Å; L149-V153 WeakPolarHBondContact O-CB 3.46Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 2.84Å |
| 150 | S | 76.9 | Confident | 79.9 | Confident | 71 Ų | 71 | 102.9 Ų | 102.9 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 174.3 | -167.2 | 0 | 0 | 0 | 0 | 112.1 | Q146 N147 K148 S154 | Q146-S150 WeakPolarHBondContact O-CB 3.29Å; Q146-S150 PolarHBondContact O-N 3.17Å; N147-S150 WeakPolarHBondContact O-CB 3.35Å; N147-S150 PolarHBondContact O-N 3.45Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.03Å; S150-S154 WeakPolarHBondContact O-CB 3.48Å; S150-S154 PolarHBondContact O-N 3.26Å; S150-S154 PolarHBondContact O-OG 3.34Å |
| 151 | Q | 83.1 | Confident | 79.8 | Confident | 143 Ų | 143 | 101.2 Ų | 101.2 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -49.2 | 174.5 | -169.8 | 179.4 | 13.8 | 0 | 0 | 111.5 | N147 K148 V153 S154 Q155 | N147-Q151 PolarHBondContact O-N 3.02Å; K148-Q151 WeakPolarHBondContact O-CB 3.49Å; K148-Q151 PolarHBondContact O-N 3.13Å; Q151-V153 PolarHBondContact O-N 2.75Å; Q151-S154 PolarHBondContact O-N 2.86Å; Q151-S154 VanDerWaalsContact O-N 3.11Å; Q151-Q155 PolarHBondContact O-N 3.38Å |
| 152 | E | 81.9 | Confident | 79.8 | Confident | 90 Ų | 90 | 100.8 Ų | 100.8 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 176.9 | -71.8 | 177.8 | -168.3 | 0 | 0 | 112 | K148 S154 Q155 L156 | K148-E152 WeakPolarHBondContact CE-OE1 3.1Å; K148-E152 IonicContact NZ-OE1 2.8Å; K148-E152 PolarHBondContact O-N 3.38Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 3.29Å; E152-Q155 PolarHBondContact O-N 2.99Å; E152-L156 WeakPolarHBondContact O-CB 3.01Å; E152-L156 PolarHBondContact O-N 3.49Å |
| 153 | V | 78.8 | Confident | 79.9 | Confident | 63 Ų | 63 | 102.4 Ų | 102.4 | 38% | 0.382 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 175 | 166.6 | 0 | 0 | 0 | 0 | 111.9 | L149 Q151 K157 | L149-V153 HydrophobicContact CD1-CG2 4.34Å; L149-V153 WeakPolarHBondContact O-CB 3.46Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 2.84Å; Q151-V153 PolarHBondContact O-N 2.75Å; V153-K157 WeakPolarHBondContact O-CG 3.37Å; V153-K157 PolarHBondContact O-N 3.31Å |
| 154 | S | 77.5 | Confident | 79.9 | Confident | 57 Ų | 57 | 100.5 Ų | 100.5 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.1 | -40 | 178 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | S150 Q151 E152 L156 K157 Q158 | S150-S154 WeakPolarHBondContact O-CB 3.48Å; S150-S154 PolarHBondContact O-N 3.26Å; S150-S154 PolarHBondContact O-OG 3.34Å; Q151-S154 PolarHBondContact O-N 2.86Å; Q151-S154 VanDerWaalsContact O-N 3.11Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 3.29Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.91Å; S154-K157 WeakPolarHBondContact O-CB 3.39Å; S154-K157 PolarHBondContact O-N 3.37Å; S154-Q158 PolarHBondContact O-N 2.93Å |
| 155 | Q | 79.4 | Confident | 79.9 | Confident | 133 Ų | 133 | 100.7 Ų | 100.7 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 171.5 | -167.7 | 177.3 | 17.7 | 0 | 0 | 111.8 | Q151 E152 K157 Q158 Q159 | Q151-Q155 PolarHBondContact O-N 3.38Å; E152-Q155 PolarHBondContact O-N 2.99Å; Q155-K157 PolarHBondContact O-N 3.06Å; Q155-Q158 PolarHBondContact O-N 3.18Å; Q155-Q159 WeakPolarHBondContact O-CG 3.29Å; Q155-Q159 PolarHBondContact O-N 3.45Å |
| 156 | L | 78.8 | Confident | 80.1 | Confident | 125 Ų | 125 | 98.6 Ų | 98.6 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -34.5 | 174.1 | -94.7 | 153.9 | 0 | 0 | 0 | 113.6 | E152 S154 F160 | E152-L156 WeakPolarHBondContact O-CB 3.01Å; E152-L156 PolarHBondContact O-N 3.49Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.91Å; L156-F160 WeakPolarHBondContact O-CB 3.26Å; L156-F160 PolarHBondContact O-N 3.34Å; L156-F160 VanDerWaalsContact O-N 3.12Å |
| 157 | K | 79.5 | Confident | 80.4 | Confident | 139 Ų | 139 | 98.2 Ų | 98.2 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 171.5 | -73.3 | 170.9 | -176.9 | 171.9 | 0 | 111.5 | V153 S154 Q155 F160 L161 | V153-K157 WeakPolarHBondContact O-CG 3.37Å; V153-K157 PolarHBondContact O-N 3.31Å; S154-K157 WeakPolarHBondContact O-CB 3.39Å; S154-K157 PolarHBondContact O-N 3.37Å; Q155-K157 PolarHBondContact O-N 3.06Å; K157-F160 WeakPolarHBondContact O-CB 3.49Å; K157-F160 PolarHBondContact O-N 3.49Å; K157-L161 PolarHBondContact O-N 3.33Å |
| 158 | Q | 83.2 | Confident | 80.5 | Confident | 99 Ų | 99 | 97 Ų | 97 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -49.9 | -179.4 | 179.7 | 57.3 | 28.2 | 0 | 0 | 111.3 | S154 Q155 F160 L161 E162 | S154-Q158 PolarHBondContact O-N 2.93Å; Q155-Q158 PolarHBondContact O-N 3.18Å; Q158-F160 VanDerWaalsContact C-N 3.28Å; Q158-F160 PolarHBondContact O-N 3.18Å; Q158-L161 WeakPolarHBondContact O-CB 3.38Å; Q158-L161 PolarHBondContact O-N 2.94Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.48Å; Q158-E162 PolarHBondContact NE2-OE1 3.04Å; Q158-E162 PolarHBondContact O-N 3.32Å |
| 159 | Q | 80 | Confident | 80.5 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60 | -35.5 | 175.3 | -71.8 | -87.9 | -82 | 0 | 0 | 112.7 | Q155 E162 I163 | Q155-Q159 WeakPolarHBondContact O-CG 3.29Å; Q155-Q159 PolarHBondContact O-N 3.45Å; Q159-E162 PolarHBondContact NE2-OE2 3.28Å; Q159-I163 WeakPolarHBondContact O-CD1 3.4Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.27Å; Q159-I163 PolarHBondContact O-N 2.94Å |
| 160 | F | 77.6 | Confident | 80.7 | Confident | 127 Ų | 127 | 94.8 Ų | 94.8 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.9 | -38.8 | 173.5 | -177.4 | -95.6 | 0 | 0 | 0 | 112.3 | L156 K157 Q158 I163 Q164 | L156-F160 WeakPolarHBondContact O-CB 3.26Å; L156-F160 PolarHBondContact O-N 3.34Å; L156-F160 VanDerWaalsContact O-N 3.12Å; K157-F160 WeakPolarHBondContact O-CB 3.49Å; K157-F160 PolarHBondContact O-N 3.49Å; Q158-F160 VanDerWaalsContact C-N 3.28Å; Q158-F160 PolarHBondContact O-N 3.18Å; F160-I163 PolarHBondContact O-N 3.46Å; F160-Q164 HydrophobicContact CD1-CG 4.07Å; F160-Q164 HydrophobicContact CE1-CG 3.71Å; F160-Q164 HydrophobicContact CZ-CG 4.07Å; F160-Q164 VanDerWaalsContact O-CG 3.32Å; F160-Q164 WeakPolarHBondContact O-CG 3.47Å; F160-Q164 PolarHBondContact O-N 3.02Å |
| 161 | L | 80.3 | Confident | 80.9 | Confident | 104 Ų | 104 | 96.3 Ų | 96.3 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 178.3 | -170.8 | 64.6 | 0 | 0 | 0 | 112.3 | K157 Q158 Q164 T165 | K157-L161 PolarHBondContact O-N 3.33Å; Q158-L161 WeakPolarHBondContact O-CB 3.38Å; Q158-L161 PolarHBondContact O-N 2.94Å; L161-Q164 PolarHBondContact O-N 3.12Å; L161-T165 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-OG1 2.91Å |
| 162 | E | 81.9 | Confident | 80.8 | Confident | 76 Ų | 76 | 93.7 Ų | 93.7 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 171.7 | -72.4 | 159.4 | -169.4 | 0 | 0 | 111 | Q158 Q159 Q164 T165 V166 | Q158-E162 WeakPolarHBondContact CG-OE1 3.48Å; Q158-E162 PolarHBondContact NE2-OE1 3.04Å; Q158-E162 PolarHBondContact O-N 3.32Å; Q159-E162 PolarHBondContact NE2-OE2 3.28Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-Q164 PolarHBondContact O-N 3.06Å; E162-T165 WeakPolarHBondContact O-CB 3.48Å; E162-T165 PolarHBondContact O-N 3.15Å; E162-V166 WeakPolarHBondContact O-CG2 3.4Å; E162-V166 PolarHBondContact O-N 3.47Å |
| 163 | I | 81.7 | Confident | 80.9 | Confident | 98 Ų | 98 | 94.2 Ų | 94.2 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 176.5 | -69.1 | 166 | 0 | 0 | 0 | 111.9 | Q159 F160 V166 L167 | Q159-I163 WeakPolarHBondContact O-CD1 3.4Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.27Å; Q159-I163 PolarHBondContact O-N 2.94Å; F160-I163 PolarHBondContact O-N 3.46Å; I163-V166 PolarHBondContact O-N 3.04Å; I163-L167 HydrophobicContact CG2-CD1 4.01Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3Å |
| 164 | Q | 77.4 | Confident | 81 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 173 | -72.9 | -65 | -34.1 | 0 | 0 | 111.5 | F160 L161 E162 V166 L167 V168 | F160-Q164 HydrophobicContact CD1-CG 4.07Å; F160-Q164 HydrophobicContact CE1-CG 3.71Å; F160-Q164 HydrophobicContact CZ-CG 4.07Å; F160-Q164 VanDerWaalsContact O-CG 3.32Å; F160-Q164 WeakPolarHBondContact O-CG 3.47Å; F160-Q164 PolarHBondContact O-N 3.02Å; L161-Q164 PolarHBondContact O-N 3.12Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-Q164 PolarHBondContact O-N 3.06Å; Q164-V166 VanDerWaalsContact C-N 3.35Å; Q164-V166 PolarHBondContact O-N 3.26Å; Q164-L167 PolarHBondContact O-N 3.5Å; Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 3.41Å |
| 165 | T | 82.8 | Confident | 81.3 | Confident | 91 Ų | 91 | 97 Ų | 97 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -43.6 | 178.9 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | L161 E162 V168 S169 | L161-T165 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-OG1 2.91Å; E162-T165 WeakPolarHBondContact O-CB 3.48Å; E162-T165 PolarHBondContact O-N 3.15Å; T165-V168 PolarHBondContact O-N 2.9Å; T165-S169 PolarHBondContact O-N 3.31Å |
| 166 | V | 83.9 | Confident | 81.3 | Confident | 86 Ų | 86 | 95.5 Ų | 95.5 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.5 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | E162 I163 Q164 S169 I170 | E162-V166 WeakPolarHBondContact O-CG2 3.4Å; E162-V166 PolarHBondContact O-N 3.47Å; I163-V166 PolarHBondContact O-N 3.04Å; Q164-V166 VanDerWaalsContact C-N 3.35Å; Q164-V166 PolarHBondContact O-N 3.26Å; V166-S169 WeakPolarHBondContact O-CB 3.23Å; V166-S169 PolarHBondContact O-N 3.44Å; V166-I170 HydrophobicContact CG1-CD1 3.8Å; V166-I170 HydrophobicContact CG1-CG1 4.46Å; V166-I170 WeakPolarHBondContact O-CG1 3.36Å; V166-I170 PolarHBondContact O-N 3.49Å |
| 167 | L | 79.8 | Confident | 81.3 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 44% | 0.44 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 176.8 | -79 | 167.1 | 0 | 0 | 0 | 112.5 | I163 Q164 S169 I170 Q171 | I163-L167 HydrophobicContact CG2-CD1 4.01Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3Å; Q164-L167 PolarHBondContact O-N 3.5Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-I170 PolarHBondContact O-N 3.11Å; L167-Q171 WeakPolarHBondContact O-CG 3.37Å; L167-Q171 PolarHBondContact O-N 3.01Å |
| 168 | V | 84.1 | Confident | 81.4 | Confident | 70 Ų | 70 | 94.8 Ų | 94.8 | 42% | 0.424 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | Q164 T165 Q171 N172 | Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 3.41Å; T165-V168 PolarHBondContact O-N 2.9Å; V168-Q171 PolarHBondContact O-N 3.39Å; V168-N172 PolarHBondContact O-N 3.31Å; V168-N172 PolarHBondContact O-ND2 3.4Å |
| 169 | S | 81.9 | Confident | 80.9 | Confident | 62 Ų | 62 | 96 Ų | 96 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 112.1 | T165 V166 L167 Q171 N172 I173 | T165-S169 PolarHBondContact O-N 3.31Å; V166-S169 WeakPolarHBondContact O-CB 3.23Å; V166-S169 PolarHBondContact O-N 3.44Å; L167-S169 VanDerWaalsContact C-N 3.34Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 3.02Å; S169-N172 PolarHBondContact O-N 2.94Å; S169-I173 VanDerWaalsContact O-CG1 3.31Å; S169-I173 WeakPolarHBondContact O-CG1 3.46Å; S169-I173 PolarHBondContact O-N 3.31Å |
| 170 | I | 83.8 | Confident | 80.5 | Confident | 86 Ų | 86 | 96.4 Ų | 96.4 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.4 | -68.5 | 167 | 0 | 0 | 0 | 111.5 | V166 L167 I173 L174 | V166-I170 HydrophobicContact CG1-CD1 3.8Å; V166-I170 HydrophobicContact CG1-CG1 4.46Å; V166-I170 WeakPolarHBondContact O-CG1 3.36Å; V166-I170 PolarHBondContact O-N 3.49Å; L167-I170 PolarHBondContact O-N 3.11Å; I170-I173 PolarHBondContact O-N 3.33Å; I170-L174 HydrophobicContact CG2-CD1 4.04Å; I170-L174 WeakPolarHBondContact O-CD1 3.26Å; I170-L174 PolarHBondContact O-N 2.86Å |
| 171 | Q | 81.1 | Confident | 80 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175 | -75.8 | 176.7 | -43.8 | 0 | 0 | 111.9 | L167 V168 S169 I173 L174 I175 | L167-Q171 WeakPolarHBondContact O-CG 3.37Å; L167-Q171 PolarHBondContact O-N 3.01Å; V168-Q171 PolarHBondContact O-N 3.39Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 3.02Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 3.34Å; Q171-L174 PolarHBondContact O-N 2.95Å; Q171-I175 VanDerWaalsContact O-CG1 3.31Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.32Å |
| 172 | N | 82.2 | Confident | 78.9 | Confident | 87 Ų | 87 | 95 Ų | 95 | 47% | 0.465 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 177 | -70.1 | -18.4 | 0 | 0 | 0 | 111.9 | V168 S169 I175 N176 | V168-N172 PolarHBondContact O-N 3.31Å; V168-N172 PolarHBondContact O-ND2 3.4Å; S169-N172 PolarHBondContact O-N 2.94Å; N172-I175 PolarHBondContact O-N 2.77Å; N172-N176 WeakPolarHBondContact O-CB 2.91Å; N172-N176 VanDerWaalsContact O-CG 3.28Å; N172-N176 PolarHBondContact O-N 3.04Å |
| 173 | I | 84.4 | Confident | 77.4 | Confident | 101 Ų | 101 | 94.7 Ų | 94.7 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.6 | -67.9 | 164.3 | 0 | 0 | 0 | 111 | S169 I170 Q171 R177 | S169-I173 VanDerWaalsContact O-CG1 3.31Å; S169-I173 WeakPolarHBondContact O-CG1 3.46Å; S169-I173 PolarHBondContact O-N 3.31Å; I170-I173 PolarHBondContact O-N 3.33Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 3.34Å; I173-R177 VanDerWaalsContact O-CB 3.31Å; I173-R177 WeakPolarHBondContact O-CB 3.35Å; I173-R177 PolarHBondContact O-N 2.86Å |
| 174 | L | 80.2 | Confident | 75.6 | Confident | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 175.1 | -104.4 | 88.3 | 0 | 0 | 0 | 112.4 | I170 Q171 R177 I178 | I170-L174 HydrophobicContact CG2-CD1 4.04Å; I170-L174 WeakPolarHBondContact O-CD1 3.26Å; I170-L174 PolarHBondContact O-N 2.86Å; Q171-L174 PolarHBondContact O-N 2.95Å; L174-R177 PolarHBondContact O-N 2.99Å; L174-I178 VanDerWaalsContact O-CG1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.36Å; L174-I178 PolarHBondContact O-N 3.03Å |
| 175 | I | 82.8 | Confident | 74 | Confident | 80 Ų | 80 | 96.6 Ų | 96.6 | 41% | 0.41 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 179.5 | -70.5 | 164 | 0 | 0 | 0 | 110.1 | Q171 N172 R177 I178 H179 | Q171-I175 VanDerWaalsContact O-CG1 3.31Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.32Å; N172-I175 PolarHBondContact O-N 2.77Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 2.84Å; I175-I178 PolarHBondContact O-N 2.86Å; I175-H179 WeakPolarHBondContact O-CB 3.07Å; I175-H179 PolarHBondContact O-N 3.38Å |
| 176 | N | 80.7 | Confident | 71.9 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 176.7 | -70.5 | -12.7 | 0 | 0 | 0 | 111.9 | N172 H179 L180 | N172-N176 WeakPolarHBondContact O-CB 2.91Å; N172-N176 VanDerWaalsContact O-CG 3.28Å; N172-N176 PolarHBondContact O-N 3.04Å; N176-H179 PolarHBondContact O-N 2.9Å; N176-L180 WeakPolarHBondContact O-CB 3Å; N176-L180 VanDerWaalsContact O-CG 3.28Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3.12Å |
| 177 | R | 79.1 | Confident | 69.5 | Low | 147 Ų | 147 | 99.6 Ų | 99.6 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.3 | -37.7 | 178.8 | -163.1 | 173.4 | -166.1 | 158.6 | 4.8 | 112.7 | I173 L174 I175 Q181 | I173-R177 VanDerWaalsContact O-CB 3.31Å; I173-R177 WeakPolarHBondContact O-CB 3.35Å; I173-R177 PolarHBondContact O-N 2.86Å; L174-R177 PolarHBondContact O-N 2.99Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 2.84Å; R177-Q181 WeakPolarHBondContact O-CG 2.92Å; R177-Q181 PolarHBondContact O-N 2.89Å |
| 178 | I | 80 | Confident | 67.4 | Low | 102 Ų | 102 | 102.5 Ų | 102.5 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.3 | -47 | 172.8 | -69.4 | 164.2 | 0 | 0 | 0 | 109.9 | L174 I175 L180 Q181 S182 | L174-I178 VanDerWaalsContact O-CG1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.36Å; L174-I178 PolarHBondContact O-N 3.03Å; I175-I178 PolarHBondContact O-N 2.86Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 2.88Å; I178-Q181 PolarHBondContact O-N 3.27Å; I178-Q181 VanDerWaalsContact O-N 3.11Å; I178-S182 PolarHBondContact O-N 2.94Å; I178-S182 PolarHBondContact O-OG 2.87Å |
| 179 | H | 73.2 | Confident | 65 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.1 | -44 | 179.9 | -161.2 | -52.7 | 0 | 0 | 0 | 111.5 | I175 N176 S182 S183 | I175-H179 WeakPolarHBondContact O-CB 3.07Å; I175-H179 PolarHBondContact O-N 3.38Å; N176-H179 PolarHBondContact O-N 2.9Å; H179-S182 WeakPolarHBondContact CA-OG 3.21Å; H179-S182 PolarHBondContact O-N 3.44Å; H179-S182 PolarHBondContact O-OG 3.33Å; H179-S183 PolarHBondContact ND1-OG 3.07Å; H179-S183 PolarHBondContact O-N 3.03Å; H179-S183 PolarHBondContact O-OG 3.24Å; H179-S183 VanDerWaalsContact O-OG 3.04Å |
| 180 | L | 72.1 | Confident | 62.8 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61 | -43.1 | 173.4 | -73.8 | 165.8 | 0 | 0 | 0 | 112.1 | N176 I178 S182 S183 C184 | N176-L180 WeakPolarHBondContact O-CB 3Å; N176-L180 VanDerWaalsContact O-CG 3.28Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3.12Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 2.88Å; L180-S182 PolarHBondContact O-N 3.19Å; L180-S183 PolarHBondContact O-N 2.97Å; L180-S183 VanDerWaalsContact O-N 3.17Å; L180-C184 WeakPolarHBondContact O-CB 3.12Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-C184 PolarHBondContact O-SG 3.32Å; L180-C184 VanDerWaalsContact O-SG 3.34Å |
| 181 | Q | 66.8 | Low | 60.5 | Low | 129 Ų | 129 | 107.3 Ų | 107.3 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.1 | -39.6 | 176 | -77.5 | -176.4 | -42.3 | 0 | 0 | 112.5 | R177 I178 S183 C184 T185 | R177-Q181 WeakPolarHBondContact O-CG 2.92Å; R177-Q181 PolarHBondContact O-N 2.89Å; I178-Q181 PolarHBondContact O-N 3.27Å; I178-Q181 VanDerWaalsContact O-N 3.11Å; Q181-S183 VanDerWaalsContact C-N 3.3Å; Q181-S183 PolarHBondContact O-N 3.44Å; Q181-C184 PolarHBondContact O-N 2.99Å; Q181-T185 WeakPolarHBondContact O-CG2 3.32Å; Q181-T185 PolarHBondContact O-OG1 3.21Å |
| 182 | S | 56.7 | Low | 58.3 | Low | 73 Ų | 73 | 112.5 Ų | 112.5 | 51% | 0.51 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -71.9 | -18.8 | 174.1 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | I178 H179 L180 | I178-S182 PolarHBondContact O-N 2.94Å; I178-S182 PolarHBondContact O-OG 2.87Å; H179-S182 WeakPolarHBondContact CA-OG 3.21Å; H179-S182 PolarHBondContact O-N 3.44Å; H179-S182 PolarHBondContact O-OG 3.33Å; L180-S182 PolarHBondContact O-N 3.19Å |
| 183 | S | 51.8 | Low | 56.1 | Low | 69 Ų | 69 | 113 Ų | 113 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -88.8 | -23.8 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | H179 L180 Q181 | H179-S183 PolarHBondContact ND1-OG 3.07Å; H179-S183 PolarHBondContact O-N 3.03Å; H179-S183 PolarHBondContact O-OG 3.24Å; H179-S183 VanDerWaalsContact O-OG 3.04Å; L180-S183 PolarHBondContact O-N 2.97Å; L180-S183 VanDerWaalsContact O-N 3.17Å; Q181-S183 VanDerWaalsContact C-N 3.3Å; Q181-S183 PolarHBondContact O-N 3.44Å |
| 184 | C | 43.3 | Very low | 53.7 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 72% | 0.716 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -97.2 | 3.2 | -176.1 | -65.9 | 0 | 0 | 0 | 0 | 114.7 | L180 Q181 | L180-C184 WeakPolarHBondContact O-CB 3.12Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-C184 PolarHBondContact O-SG 3.32Å; L180-C184 VanDerWaalsContact O-SG 3.34Å; Q181-C184 PolarHBondContact O-N 2.99Å |
| 185 | T | 44 | Very low | 51.6 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 69% | 0.693 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -93.2 | 11.4 | 178.9 | 45.7 | 0 | 0 | 0 | 0 | 114.7 | Q181 | Q181-T185 WeakPolarHBondContact O-CG2 3.32Å; Q181-T185 PolarHBondContact O-OG1 3.21Å |
| 186 | T | 37.9 | Very low | 49.3 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | -139.5 | 81.4 | -177.9 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 187 | T | 34.1 | Very low | 47 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 85% | 0.847 | 69% | 0.685 | S | S | * | * | trans | 175.7 | 97.8 | 145.5 | 34.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 188 | T | 35.2 | Very low | 44.7 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 90% | 0.896 | 69% | 0.688 | S | S | * | * | trans | 176.9 | 136.2 | 147 | 28.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 189 | S | 34.5 | Very low | 42.5 | Very low | 116 Ų | 116 | 121 Ų | 121 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | cis | -149.6 | 173.4 | -12.7 | 40.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 190 | S | 34.6 | Very low | 40.4 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -70.8 | 176.9 | -167.1 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 191 | T | 35.9 | Very low | 38.4 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | -170 | 158.3 | 54 | -35.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 192 | Y | 35.3 | Very low | 36.4 | Very low | 214 Ų | 214 | 127.9 Ų | 127.9 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | 90 | 144.5 | 162.2 | -64.9 | -56.8 | 0 | 0 | 0 | 120 | ||||
| 193 | P | 35.4 | Very low | 35.1 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | -150 | 151.9 | -127.8 | 41.4 | -19.4 | 0 | 0 | 0 | 120.5 | |||||
| 194 | H | 34.1 | Very low | 34 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | 59.9 | 177.1 | 143.2 | -79.5 | -47.5 | 0 | 0 | 0 | 120 | ||||
| 195 | P | 36.8 | Very low | 33.4 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | cis | -127.9 | -176.2 | -8.4 | 29.9 | -8.1 | 0 | 0 | 0 | 115.6 | ||||
| 196 | L | 34.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 74.1 | 145.9 | 165.6 | -45.3 | -177.1 | 0 | 0 | 0 | 116.7 | ||||
| 197 | N | 32.4 | Very low | 32.6 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | cis | -137.3 | 171.7 | 6.5 | -156 | -4.1 | 0 | 0 | 0 | 112.5 | ||||
| 198 | S | 30.4 | Very low | 32.4 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | trans | -117.1 | 146.1 | -149.9 | -54.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 199 | S | 32.7 | Very low | 32.2 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | 177.5 | 109.8 | 139.8 | -78.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 200 | I | 30.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | 66.4 | 120.4 | 58.9 | -48.5 | 164.2 | 0 | 0 | 0 | 109.5 | |||||
| 201 | Y | 30.8 | Very low | 31.6 | Very low | 223 Ų | 223 | 148.1 Ų | 148.1 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | cis | -129.9 | 148.8 | 35.5 | -84.2 | -85.4 | 0 | 0 | 0 | 117 | ||||
| 202 | L | 24.3 | Very low | 31.2 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -138.7 | 139.3 | 151.6 | -96.8 | 171.4 | 0 | 0 | 0 | 107.5 | ||||
| 203 | Y | 29.5 | Very low | 30.8 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | 167.1 | 137.8 | 146.9 | -112.1 | -110.8 | 0 | 0 | 0 | 107.6 | ||||
| 204 | N | 28.4 | Very low | 30.6 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | cis | 105.7 | 123.3 | 14.3 | -167.9 | 32.1 | 0 | 0 | 0 | 114.9 | ||||
| 205 | N | 31.3 | Very low | 30.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 63% | 0.631 | 77% | 0.765 | S | S | * | * | trans | 62.6 | 113.7 | 158.9 | -151.7 | -6.2 | 0 | 0 | 0 | 121.2 | ||||
| 206 | K | 30 | Very low | 30.1 | Very low | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -165.9 | 108.5 | 132.4 | -111.2 | 174.6 | -175.9 | 179.2 | 0 | 111.2 | ||||
| 207 | N | 34 | Very low | 30 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -178.2 | 85.3 | 145.7 | -96.8 | -10.7 | 0 | 0 | 0 | 110.2 | ||||
| 208 | N | 29.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | -91.1 | 119.6 | 164.4 | -95.1 | 2.2 | 0 | 0 | 0 | 108.9 | ||||
| 209 | M | 30.8 | Very low | 29.6 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -137.6 | 108.5 | 158.6 | -86.9 | -61.1 | -64.8 | 0 | 0 | 108.4 | I211 | M209-I211 HydrophobicContact CE-CD1 4.46Š| ||
| 210 | P | 28.2 | Very low | 29.3 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 144.4 | 172.2 | 34.7 | -31.5 | 0 | 0 | 0 | 110.7 | ||||
| 211 | I | 29.1 | Very low | 29.2 | Very low | 159 Ų | 159 | 147 Ų | 147 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -152.2 | 146.9 | 157.4 | -98.7 | 135.8 | 0 | 0 | 0 | 108.1 | M209 | M209-I211 HydrophobicContact CE-CD1 4.46Š| ||
| 212 | F | 28 | Very low | 29.2 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -100.4 | 160.3 | -168.1 | -93.9 | -108.5 | 0 | 0 | 0 | 113.7 | ||||
| 213 | S | 27.3 | Very low | 29.4 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | trans | 35.3 | 125.8 | 144.9 | -55.8 | 0 | 0 | 0 | 0 | 121.3 | T215 | S213-T215 PolarHBondContact O-N 3.03Š| ||
| 214 | P | 30.9 | Very low | 29.7 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 92% | 0.922 | 75% | 0.753 | S | S | * | * | trans | -78.2 | 114.1 | 158.9 | 32.5 | -29.9 | 0 | 0 | 0 | 110.7 | ||||
| 215 | T | 32.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | trans | -120.5 | 129.8 | 165.4 | -52.3 | 0 | 0 | 0 | 0 | 108.6 | S213 | S213-T215 PolarHBondContact O-N 3.03Š| ||
| 216 | T | 27.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -64.9 | 145 | 179.8 | 48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 217 | P | 32.7 | Very low | 29.4 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -119.2 | 158.7 | 131.1 | 35.6 | -31.1 | 0 | 0 | 0 | 112.3 | ||||
| 218 | L | 26.6 | Very low | 29.2 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -90.2 | 170.1 | 171.8 | -96.1 | 75.7 | 0 | 0 | 0 | 111.1 | ||||
| 219 | I | 28 | Very low | 29.2 | Very low | 135 Ų | 135 | 132 Ų | 132 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 81.2 | 106.1 | 143.8 | -83 | 161.8 | 0 | 0 | 0 | 118 | ||||
| 220 | N | 26.7 | Very low | 29.2 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 94.5 | 127.6 | 131.3 | -70.2 | 17.2 | 0 | 0 | 0 | 123.6 | ||||
| 221 | T | 27.4 | Very low | 29.3 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 89.5 | 131.9 | 130.3 | 42.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 222 | E | 30.4 | Very low | 29.3 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | 65.6 | 95.4 | 155.9 | -51.7 | -49.2 | 82.5 | 0 | 0 | 122.2 | ||||
| 223 | L | 28.4 | Very low | 29.4 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | -8.5 | 175.8 | 118.6 | -93 | 70.7 | 0 | 0 | 0 | 119.8 | |||||
| 224 | P | 35.1 | Very low | 29.5 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 62% | 0.617 | 76% | 0.758 | S | S | * | * | cis | -143.4 | 179.4 | -24.6 | 35.5 | -15.5 | 0 | 0 | 0 | 116.6 | ||||
| 225 | T | 27.2 | Very low | 29.5 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | 66.4 | 165.8 | 151.4 | 46.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 226 | I | 29.9 | Very low | 29.3 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | cis | -137.5 | 113.2 | 24.5 | -66 | 170.2 | 0 | 0 | 0 | 112.7 | ||||
| 227 | D | 26.9 | Very low | 29.5 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | 54.9 | 165 | 115.7 | -153.7 | 24.3 | 0 | 0 | 0 | 125.2 | |||||
| 228 | I | 29.3 | Very low | 29.4 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | 98.9 | 96.5 | 156.6 | -47.3 | -176.3 | 0 | 0 | 0 | 119.7 | ||||
| 229 | G | 31.3 | Very low | 29.7 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | 100.2 | 152.2 | 127 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 230 | S | 29 | Very low | 29.8 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | cis | -175.2 | 164.7 | -21.1 | -118.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 231 | A | 31.6 | Very low | 30.2 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 70 | 91.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 232 | S | 28.2 | Very low | 30.3 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | -6.5 | 148.2 | 135.7 | -45.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 233 | F | 31.3 | Very low | 30.4 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | -179.8 | 163.9 | 95.9 | -91.6 | -65 | 0 | 0 | 0 | 112.6 | |||||
| 234 | S | 28.7 | Very low | 30.6 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | -144.4 | 151.5 | -178.3 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 235 | L | 30 | Very low | 30.7 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | -179.7 | 130.9 | 121.1 | -116.8 | 78 | 0 | 0 | 0 | 115 | |||||
| 236 | N | 29.7 | Very low | 31 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | 47.8 | 118.3 | 131.4 | -62.2 | -0.1 | 0 | 0 | 0 | 124.9 | ||||
| 237 | N | 30.2 | Very low | 31.4 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 76.4 | 110.3 | 122.7 | -74.1 | -2.4 | 0 | 0 | 0 | 124.9 | |||||
| 238 | V | 30.7 | Very low | 31.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | 56.4 | 118.1 | 115.3 | 179.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 239 | H | 34.8 | Very low | 31.7 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | -155.8 | 164.8 | 120.2 | -111.8 | 72.9 | 0 | 0 | 0 | 113.5 | |||||
| 240 | N | 29.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -82.2 | 152.4 | -175.3 | -65 | -62.8 | 0 | 0 | 0 | 113.1 | ||||
| 241 | T | 33.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | 174.2 | 121.3 | 100.8 | 38.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 242 | K | 30 | Very low | 31.9 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | 17.4 | 120.6 | 133.1 | -173.9 | -176.1 | -174.6 | -179.5 | 0 | 119.8 | ||||
| 243 | I | 33.3 | Very low | 32 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -157.3 | 160.3 | 138.1 | -107.3 | 156.7 | 0 | 0 | 0 | 110.9 | ||||
| 244 | T | 31.5 | Very low | 32 | Very low | 106 Ų | 106 | 143 Ų | 143 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -88.9 | 151.9 | -168.4 | 44.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 245 | H | 37.1 | Very low | 32 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | -168.7 | 175.9 | 109.8 | -104.2 | -75.2 | 0 | 0 | 0 | 112.2 | |||||
| 246 | N | 34.7 | Very low | 31.9 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -126.9 | -172.4 | -161.5 | -152 | 8.9 | 0 | 0 | 0 | 111.1 | ||||
| 247 | P | 37.4 | Very low | 31.9 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | -111.1 | -170 | -112 | 40.6 | -24.5 | 0 | 0 | 0 | 113.6 | |||||
| 248 | L | 30.3 | Very low | 32 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | 161.3 | 149.5 | 117.3 | -171.4 | 63.4 | 0 | 0 | 0 | 113.7 | |||||
| 249 | R | 32.7 | Very low | 32.1 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | trans | 77.7 | 122.5 | 156 | -101.8 | 170.3 | -175.2 | 168.3 | 0.7 | 121.7 | ||||
| 250 | T | 29.7 | Very low | 32 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -71.9 | 178.9 | 148.1 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 251 | P | 35.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | cis | -146.6 | -169.5 | 18.1 | 47.3 | -27.2 | 0 | 0 | 0 | 118 | ||||
| 252 | D | 31.1 | Very low | 32.3 | Very low | 134 Ų | 134 | 141.4 Ų | 141.4 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 64.7 | 118 | 146.2 | -60.1 | -23.4 | 0 | 0 | 0 | 124.3 | ||||
| 253 | N | 30.6 | Very low | 32.8 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | 84.6 | 142 | 125.2 | -81.1 | -33.4 | 0 | 0 | 0 | 125.6 | |||||
| 254 | F | 29.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 63.2 | 103.3 | 148.4 | -67.9 | -53.6 | 0 | 0 | 0 | 124 | ||||
| 255 | N | 28.6 | Very low | 32.8 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | 63.9 | 155.6 | 118.8 | -70.1 | -0.8 | 0 | 0 | 0 | 124.1 | |||||
| 256 | Y | 29.6 | Very low | 32.4 | Very low | 213 Ų | 213 | 137.6 Ų | 137.6 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | trans | 73 | 150.6 | 171 | -69.9 | -91.2 | 0 | 0 | 0 | 117.9 | ||||
| 257 | V | 29.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | cis | 176.8 | 158.7 | -47.3 | 136.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 258 | T | 31.2 | Very low | 31.8 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | 67 | 159.8 | 173.1 | 42.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 259 | N | 32.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | cis | -155 | 166.8 | 14.8 | -138.2 | -4.1 | 0 | 0 | 0 | 114.8 | ||||
| 260 | N | 33.7 | Very low | 31.5 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 68 | 151.9 | 151.9 | -66.4 | -13.7 | 0 | 0 | 0 | 119.9 | ||||
| 261 | S | 35.1 | Very low | 31.4 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | cis | -162 | 156.8 | -7.1 | 36.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 262 | S | 34.7 | Very low | 31.2 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -86.2 | 171.5 | 178.1 | -40.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 263 | P | 40.4 | Very low | 31 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | -143.9 | -169.9 | 87.4 | 38.8 | -23.4 | 0 | 0 | 0 | 113.8 | |||||
| 264 | L | 33 | Very low | 31 | Very low | 138 Ų | 138 | 133 Ų | 133 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | cis | 166.7 | 168.6 | -49.2 | -120.2 | 173.6 | 0 | 0 | 0 | 108.3 | ||||
| 265 | Y | 32.9 | Very low | 31.2 | Very low | 204 Ų | 204 | 130.3 Ų | 130.3 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | 75 | 121.6 | -173.5 | -60.4 | -87.9 | 0 | 0 | 0 | 114.7 | ||||
| 266 | C | 27.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | cis | 81.1 | 142.1 | 46.6 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 267 | T | 32.5 | Very low | 31.3 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 84% | 0.84 | 74% | 0.741 | S | S | * | * | cis | -141.8 | 165.3 | 30.8 | 49.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 268 | S | 27.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -75.8 | 162.6 | 171.8 | -33.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 269 | T | 31.5 | Very low | 31.3 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | trans | -148.5 | 156.1 | 145.6 | -64.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 270 | T | 26 | Very low | 31.2 | Very low | 114 Ų | 114 | 127 Ų | 127 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | -133.9 | 176.9 | -170.2 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 271 | V | 26.5 | Very low | 31 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 70.4 | 139.9 | 173.7 | -139 | 0 | 0 | 0 | 0 | 111.7 | T273 | V271-T273 HydrophobicContact CG1-CG2 4.06Š| ||
| 272 | T | 30.8 | Very low | 30.8 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | cis | -155.2 | 125.5 | 47.4 | 26.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 273 | T | 28.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 125.2 Ų | 125.2 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | 84.4 | 128.9 | 75.1 | 60.3 | 0 | 0 | 0 | 0 | 117.8 | V271 | V271-T273 HydrophobicContact CG1-CG2 4.06Š| |||
| 274 | L | 29.6 | Very low | 29.9 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | trans | 70.8 | 159.5 | 154.1 | -94.7 | 66.3 | 0 | 0 | 0 | 118.6 | ||||
| 275 | P | 34.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | -123.2 | -178.8 | -53.2 | 29 | -7.3 | 0 | 0 | 0 | 110.4 | |||||
| 276 | S | 32.2 | Very low | 29.3 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | -174.1 | 170.7 | 57.3 | -74.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 277 | S | 28.5 | Very low | 29.2 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | trans | -42.4 | 160.2 | 161.3 | 48.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 278 | V | 31.8 | Very low | 28.9 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 78% | 0.782 | 72% | 0.716 | S | S | * | * | cis | -144.7 | 128.6 | 43.1 | 169.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 279 | I | 27.9 | Very low | 28.9 | Very low | 119 Ų | 119 | 121 Ų | 121 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | 68.3 | 71.2 | 50.9 | -45 | 171.3 | 0 | 0 | 0 | 114.2 | |||||
| 280 | H | 30.6 | Very low | 28.7 | Very low | 179 Ų | 179 | 121.4 Ų | 121.4 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | -173.1 | 147.7 | 108.9 | -106.8 | -66.7 | 0 | 0 | 0 | 114.7 | |||||
| 281 | N | 28.9 | Very low | 28.8 | Very low | 115 Ų | 115 | 122 Ų | 122 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 156.4 | 166.1 | -159.1 | 17.9 | 0 | 0 | 0 | 110 | S283 | N281-S283 VanDerWaalsContact CG-N 3.31Å; N281-S283 PolarHBondContact ND2-N 3.18Å; N281-S283 PolarHBondContact ND2-OG 2.89Å; N281-S283 PolarHBondContact OD1-N 3.43Å | ||
| 282 | P | 30.9 | Very low | 28.8 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | -142.8 | 115.3 | 97.9 | 35.5 | -20.3 | 0 | 0 | 0 | 115.1 | |||||
| 283 | S | 28.9 | Very low | 28.7 | Very low | 74 Ų | 74 | 126.5 Ų | 126.5 | 52% | 0.517 | 72% | 0.719 | S | S | . | * | trans | -63.4 | 136.3 | 149.1 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | N281 | N281-S283 VanDerWaalsContact CG-N 3.31Å; N281-S283 PolarHBondContact ND2-N 3.18Å; N281-S283 PolarHBondContact ND2-OG 2.89Å; N281-S283 PolarHBondContact OD1-N 3.43Å | ||
| 284 | T | 28.3 | Very low | 28.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | 158.7 | 138.4 | 111.9 | 47.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 285 | L | 27.1 | Very low | 28.6 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | trans | 63.2 | 152 | 149.7 | -63.6 | 163.1 | 0 | 0 | 0 | 116.9 | ||||
| 286 | S | 26.5 | Very low | 28.2 | Very low | 89 Ų | 89 | 127.5 Ų | 127.5 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | cis | -168.8 | -169.4 | -17.4 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 287 | T | 24.9 | Very low | 28.3 | Very low | 106 Ų | 106 | 129 Ų | 129 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | trans | 69 | 115.3 | 161.2 | 62.5 | 0 | 0 | 0 | 0 | 120.7 | F289 | T287-F289 WeakPolarHBondContact O-CD2 3.35Å; T287-F289 WeakPolarHBondContact O-CE2 3.39Å | ||
| 288 | S | 26.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | 38.1 | 103.8 | 121.4 | 177.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 289 | F | 26 | Very low | 28.6 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | trans | -143.3 | 132.9 | 157.2 | -69.4 | -82.7 | 0 | 0 | 0 | 108.1 | T287 L292 | T287-F289 WeakPolarHBondContact O-CD2 3.35Å; T287-F289 WeakPolarHBondContact O-CE2 3.39Å; F289-L292 HydrophobicContact CD1-CB 4.49Å | ||
| 290 | M | 28.3 | Very low | 28.7 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | S | Bend | cis | 56.3 | 102.6 | 13.4 | -85.5 | -70.4 | -176.1 | 0 | 0 | 113.3 | L292 | M290-L292 PolarHBondContact O-N 3.49Š|
| 291 | P | 28.2 | Very low | 28.6 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -73.2 | 101.1 | -168.4 | 29.7 | -35.1 | 0 | 0 | 0 | 112 | ||
| 292 | L | 26.5 | Very low | 28.7 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | -126.4 | 148.9 | 176.6 | -71.7 | 176.5 | 0 | 0 | 0 | 112.3 | F289 M290 | F289-L292 HydrophobicContact CD1-CB 4.49Å; M290-L292 PolarHBondContact O-N 3.49Å | ||
| 293 | K | 28.6 | Very low | 28.8 | Very low | 197 Ų | 197 | 127.3 Ų | 127.3 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -73.3 | 179.4 | -172.2 | -72.5 | 176.2 | 169.4 | 178.2 | 0 | 113.5 | ||||
| 294 | I | 26.2 | Very low | 29.1 | Very low | 164 Ų | 164 | 130 Ų | 130 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | 90.5 | 102.4 | 168.6 | -52.8 | 163.4 | 0 | 0 | 0 | 110.4 | ||||
| 295 | S | 29.5 | Very low | 29.4 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | 93.4 | 130.7 | 47.4 | -169.7 | 0 | 0 | 0 | 0 | 113 | N297 | S295-N297 PolarHBondContact OG-OD1 3.3Š| ||
| 296 | T | 26.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | trans | -128.9 | 108.3 | 166.3 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 297 | N | 32.7 | Very low | 30 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -72.4 | 166 | 177.1 | -52.7 | -31.1 | 0 | 0 | 0 | 110.7 | S295 | S295-N297 PolarHBondContact OG-OD1 3.3Š| ||
| 298 | P | 33.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | -144 | 173.1 | 88.2 | 38.1 | -23.6 | 0 | 0 | 0 | 114.2 | |||||
| 299 | P | 34.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | cis | -134.4 | -165.8 | -32.6 | 37.5 | -19.6 | 0 | 0 | 0 | 113.2 | ||||
| 300 | S | 29.1 | Very low | 31.5 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 83.8 | 130.5 | 156.3 | 69.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 301 | S | 28.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | 47.5 | 141 | 147.8 | 46.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 302 | E | 31.8 | Very low | 31.9 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | cis | -164.9 | 155.7 | -3.7 | -115.2 | -177.4 | 118.2 | 0 | 0 | 111.3 | ||||
| 303 | N | 32.8 | Very low | 32.3 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | 45.3 | 124.8 | 148.5 | -55.4 | -26.8 | 0 | 0 | 0 | 122.3 | ||||
| 304 | V | 35.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 123 Ų | 123 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | 94.3 | 141 | 50.1 | 157 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 305 | P | 34.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | cis | -150.9 | 176.1 | -26.2 | 44.8 | -24.9 | 0 | 0 | 0 | 118.9 | ||||
| 306 | I | 32.8 | Very low | 33.4 | Very low | 162 Ų | 162 | 122 Ų | 122 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | trans | 53.9 | 177.3 | 162.3 | 37.5 | 165.8 | 0 | 0 | 0 | 120.2 | ||||
| 307 | S | 33 | Very low | 33.7 | Very low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | -155.4 | 165.6 | 8.1 | -142.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 308 | P | 43.1 | Very low | 33.5 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -133.5 | 169.3 | -174.5 | 43.4 | -29.3 | 0 | 0 | 0 | 118.6 | ||||
| 309 | L | 32.8 | Very low | 33.3 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | trans | -173.1 | 127.3 | 145.2 | -136.3 | 73 | 0 | 0 | 0 | 118.7 | ||||
| 310 | S | 32.1 | Very low | 33.1 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | 61.6 | 173.6 | 142.3 | 66.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 311 | I | 32.5 | Very low | 33.2 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | cis | -154.3 | 162.3 | -6.8 | 10.6 | 169.2 | 0 | 0 | 0 | 111.6 | ||||
| 312 | S | 31.6 | Very low | 33.3 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 52.9 | 153.1 | 149.1 | -109 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 313 | S | 35 | Very low | 33.2 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | cis | -171.4 | 148.2 | -17 | 35.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 314 | S | 34.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 79.4 | 153.9 | 149 | -61.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 315 | P | 42 | Very low | 33 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -133.3 | 178.7 | -161.8 | 43.8 | -26.7 | 0 | 0 | 0 | 116.8 | ||||
| 316 | S | 33.3 | Very low | 32.8 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -172.7 | 139.2 | 145.7 | -91.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 317 | V | 31.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | 59.3 | 104.9 | 144.6 | -173.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 318 | L | 28.5 | Very low | 32.8 | Very low | 157 Ų | 157 | 125.4 Ų | 125.4 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | 31.1 | 149.4 | 121 | -48.4 | 172.3 | 0 | 0 | 0 | 119.9 | |||||
| 319 | S | 31.3 | Very low | 32.3 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -172.9 | 155 | 49.1 | -46.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 320 | V | 29.6 | Very low | 32.4 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | trans | 55.3 | 150.2 | 161.4 | -92.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 321 | L | 31 | Very low | 32.3 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | cis | -134 | 155.2 | 15 | -120.5 | 174.6 | 0 | 0 | 0 | 112.7 | ||||
| 322 | Y | 29.8 | Very low | 31.9 | Very low | 216 Ų | 216 | 125.8 Ų | 125.8 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -68.2 | 159 | 173.3 | -72.2 | -106.8 | 0 | 0 | 0 | 111.6 | ||||
| 323 | G | 30.1 | Very low | 31.8 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | cis | 111.3 | 86.2 | 9.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 324 | S | 31.2 | Very low | 31.4 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -109.8 | 165 | -179.5 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 325 | I | 34 | Very low | 31.2 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | 89.6 | 117.8 | 171.4 | -53.4 | 171.3 | 0 | 0 | 0 | 114.7 | ||||
| 326 | P | 30.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | -94.3 | 152.3 | 172.2 | 36.8 | -33.4 | 0 | 0 | 0 | 113.3 | ||||
| 327 | S | 35.3 | Very low | 30.8 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -146.2 | 119.1 | 164.7 | 58.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 328 | C | 30.7 | Very low | 31.1 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | 99.2 | 99.2 | 91.7 | -74.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 329 | I | 33.1 | Very low | 31.4 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 68% | 0.677 | 77% | 0.77 | S | S | * | * | trans | 8.2 | 150 | 134.6 | 15.7 | 171.5 | 0 | 0 | 0 | 119.1 | ||||
| 330 | P | 34.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | -132.5 | -177.7 | -59.9 | 38.8 | -21.8 | 0 | 0 | 0 | 112 | |||||
| 331 | L | 29.4 | Very low | 31.8 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | trans | 165.6 | 169.2 | 134.2 | -91.4 | 164.2 | 0 | 0 | 0 | 112.2 | ||||
| 332 | C | 25.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -57.5 | 153.7 | 171.3 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 333 | V | 29.3 | Very low | 32.4 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | -156.4 | 155.9 | 67.1 | 157.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 334 | T | 26.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -46.6 | 161.5 | -177.1 | 58.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 335 | S | 28 | Very low | 32.7 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 79.4 | 135.8 | 142.4 | -178.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 336 | K | 29.9 | Very low | 32.6 | Very low | 196 Ų | 196 | 129.5 Ų | 129.5 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | cis | -156.7 | 161.6 | 0.1 | -122.4 | 170.9 | -169.9 | 174.8 | 0 | 111.6 | ||||
| 337 | I | 38.8 | Very low | 32.6 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | trans | -82.8 | 166.2 | 163 | -22.3 | 177.5 | 0 | 0 | 0 | 109.5 | ||||
| 338 | P | 35.6 | Very low | 32.6 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | -148.6 | -175.1 | 94.8 | 39.9 | -21.9 | 0 | 0 | 0 | 115.9 | |||||
| 339 | S | 36 | Very low | 32.5 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -111.8 | -169.3 | -171.3 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 340 | D | 33.7 | Very low | 32.6 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | 141.4 | 158.1 | 140.2 | -69.8 | 2.5 | 0 | 0 | 0 | 112 | ||||
| 341 | N | 36.1 | Very low | 32.6 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -161.7 | 137.7 | 18.9 | -136.1 | -41.7 | 0 | 0 | 0 | 113.5 | ||||
| 342 | N | 35.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | 42.8 | 170.6 | 149.8 | -75.4 | -52.9 | 0 | 0 | 0 | 122.5 | ||||
| 343 | I | 36.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | cis | -160.6 | 135.5 | 43.7 | -74.4 | 174.1 | 0 | 0 | 0 | 113.3 | ||||
| 344 | N | 34.4 | Very low | 33.1 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 32.9 | 160.8 | 140.1 | -57.2 | -17.8 | 0 | 0 | 0 | 124.3 | ||||
| 345 | S | 33.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -178.8 | -173.6 | -17.1 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 346 | I | 33 | Very low | 33.6 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 77.6 | 126.7 | 169.1 | -49.5 | 175.7 | 0 | 0 | 0 | 115.1 | ||||
| 347 | V | 30.2 | Very low | 33.8 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | cis | 112.5 | 116.6 | 15.4 | 171.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 348 | G | 34.1 | Very low | 33.5 | Very low | 80 Ų | 80 | 130.8 Ų | 130.8 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | 172.8 | 153.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 349 | R | 29.1 | Very low | 33.4 | Very low | 244 Ų | 244 | 130.1 Ų | 130.1 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | trans | -161 | -178.7 | -175 | -134.4 | -161.4 | 171.2 | -173.1 | -1.3 | 108.3 | ||||
| 350 | P | 35.7 | Very low | 33.2 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | cis | -128.7 | -163 | -33.4 | 24.2 | 1.6 | 0 | 0 | 0 | 113.2 | ||||
| 351 | Q | 34 | Very low | 33.1 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | 75.9 | 155.3 | 158.9 | -48.5 | -56.2 | 45.5 | 0 | 0 | 118.5 | ||||
| 352 | I | 30.4 | Very low | 32.6 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -162.3 | 163 | -13 | -112.9 | 169.5 | 0 | 0 | 0 | 111.2 | ||||
| 353 | N | 30.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | 72.1 | 118.1 | 164.7 | -79.1 | -6.3 | 0 | 0 | 0 | 119.9 | ||||
| 354 | Q | 34.4 | Very low | 31.9 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | 89.2 | 138.4 | 94.1 | -73.2 | 174.3 | -14.8 | 0 | 0 | 113.2 | |||||
| 355 | T | 31.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | cis | -159.6 | 167.9 | 9.7 | -6.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 356 | V | 33.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | trans | 82.2 | 104.4 | 148.2 | 164.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 357 | T | 33.5 | Very low | 31 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | 61.4 | 139.5 | 140.5 | 64.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 358 | D | 32.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | cis | -160.2 | 145.1 | -6.9 | -111.9 | -22.5 | 0 | 0 | 0 | 113.7 | ||||
| 359 | S | 32.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | 56.9 | 137.7 | 154 | 71.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 360 | M | 32.9 | Very low | 30.9 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | cis | -158.9 | 153.7 | -23.1 | -148 | 171.8 | 179.8 | 0 | 0 | 111.2 | ||||
| 361 | S | 31.2 | Very low | 30.6 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | trans | 3.8 | 133.8 | 168.2 | -53.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 362 | I | 26.7 | Very low | 30.3 | Very low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | cis | 79.3 | 96.3 | 45.6 | -59.9 | 170.3 | 0 | 0 | 0 | 114.1 | ||||
| 363 | S | 26.5 | Very low | 30.3 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | 59.5 | 159.9 | 122.8 | -46.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 364 | Q | 29 | Very low | 30.2 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | 74.2 | 111.6 | 156.4 | -69.4 | 165.5 | -4.8 | 0 | 0 | 119.7 | ||||
| 365 | M | 27.1 | Very low | 30.1 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 80% | 0.803 | 72% | 0.72 | S | S | * | * | 177.1 | 120.7 | 112.1 | -84.8 | -64.7 | -176.1 | 0 | 0 | 107.1 | |||||
| 366 | H | 31.1 | Very low | 30.1 | Very low | 160 Ų | 160 | 137 Ų | 137 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | 58.6 | 91.9 | 87.3 | -80.3 | 118.2 | 0 | 0 | 0 | 116.2 | |||||
| 367 | Y | 25 | Very low | 30.5 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | 33.7 | 142 | 114.2 | -102.5 | -77 | 0 | 0 | 0 | 121.2 | |||||
| 368 | I | 28.4 | Very low | 30.7 | Very low | 92 Ų | 92 | 137 Ų | 137 | 47% | 0.472 | 73% | 0.729 | S | S | . | * | trans | 111.8 | 126.3 | 151.7 | -66.8 | 144.2 | 0 | 0 | 0 | 116 | I1025 | I368-I1025 HydrophobicContact CD1-CD1 4.08Å; I368-I1025 HydrophobicContact CD1-CG1 3.81Å; I368-I1025 HydrophobicContact CD1-CG2 4.47Å; I368-I1025 HydrophobicContact CG1-CD1 4.31Å; I368-I1025 HydrophobicContact CG1-CG1 4.07Å; I368-I1025 HydrophobicContact CG2-CD1 3.79Å; I368-I1025 HydrophobicContact CG2-CG1 4.37Å | ||
| 369 | P | 33.7 | Very low | 30.6 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | trans | -98.2 | 169.9 | 176.4 | 40 | -35.8 | 0 | 0 | 0 | 113.2 | ||||
| 370 | L | 29.5 | Very low | 30.7 | Very low | 182 Ų | 182 | 140 Ų | 140 | 95% | 0.953 | 73% | 0.733 | S | S | * | * | trans | -139.8 | 171.2 | 157.2 | -96.2 | 178.4 | 0 | 0 | 0 | 111.4 | ||||
| 371 | N | 27.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | trans | -128.2 | 167.1 | -157.9 | -179.3 | 34.4 | 0 | 0 | 0 | 111.7 | ||||
| 372 | E | 28.9 | Very low | 30.6 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | 67.1 | 161.8 | 164.9 | -84.7 | 164.2 | -134.8 | 0 | 0 | 117.1 | ||||
| 373 | Q | 29.9 | Very low | 30.9 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | cis | -153 | 154.3 | 12.6 | -137.3 | 165.7 | 64 | 0 | 0 | 112.4 | ||||
| 374 | N | 28.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | trans | 29 | 134.8 | 152.2 | -57.8 | -11.9 | 0 | 0 | 0 | 122.9 | ||||
| 375 | N | 31.6 | Very low | 31.3 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | -176.6 | 174.9 | 100 | -96.3 | -62.8 | 0 | 0 | 0 | 114.8 | |||||
| 376 | L | 31.6 | Very low | 31.7 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | trans | -102.7 | 171.9 | -156.3 | -100.8 | 80.5 | 0 | 0 | 0 | 117.1 | ||||
| 377 | P | 41.9 | Very low | 31.7 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | trans | -99.8 | -164.5 | -176.1 | 42.5 | -38 | 0 | 0 | 0 | 113.3 | ||||
| 378 | P | 38.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | -132 | 147.2 | 146.9 | 37.6 | -26.3 | 0 | 0 | 0 | 116.2 | ||||
| 379 | T | 30.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -66.9 | 167 | 166.5 | -40.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 380 | F | 33.7 | Very low | 32.2 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | -177.2 | 132.9 | 125.8 | -106.9 | -71.2 | 0 | 0 | 0 | 115.7 | |||||
| 381 | T | 32.5 | Very low | 32.3 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | 49.1 | 124.5 | 155.4 | 39 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 382 | A | 31.1 | Very low | 32.5 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 76.1 | 151 | 70.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 383 | T | 32.8 | Very low | 32.6 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -160.6 | 162.7 | 19.1 | -29.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 384 | T | 33 | Very low | 32.7 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | 61.8 | 164.6 | 155.5 | 48 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 385 | T | 30.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | cis | -170.7 | 173.7 | -27.4 | -85.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 386 | S | 36.1 | Very low | 32.9 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | trans | 72.6 | 110.1 | 167.7 | 20.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 387 | T | 29.6 | Very low | 33 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | 83.9 | 151 | 63.1 | 64 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 388 | I | 34.4 | Very low | 32.5 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | 76.3 | 141.3 | 166.1 | -64.4 | 160.6 | 0 | 0 | 0 | 115.5 | ||||
| 389 | T | 33.8 | Very low | 32.5 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | cis | -169.4 | 124.9 | -22.9 | -91.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 390 | T | 30 | Very low | 33 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | 41.6 | 168.8 | 152.7 | 72.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 391 | Q | 32.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 123 Ų | 123 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | trans | 75.5 | 102.4 | 158.8 | -71.5 | 174.5 | 60.7 | 0 | 0 | 116.2 | ||||
| 392 | T | 30.8 | Very low | 33.2 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | 70.6 | 131.8 | 73.3 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 393 | G | 31.9 | Very low | 33.3 | Very low | 68 Ų | 68 | 122 Ų | 122 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 149.4 | 38.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 394 | A | 30.9 | Very low | 33.5 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | 58.1 | -169.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 395 | T | 33.2 | Very low | 33.5 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | 63.1 | 114.9 | 168.4 | 50.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 396 | E | 33.2 | Very low | 33.6 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | 69.1 | 150.5 | 125.9 | -67.7 | 167.5 | -157.8 | 0 | 0 | 120.6 | |||||
| 397 | S | 32.9 | Very low | 33.6 | Very low | 91 Ų | 91 | 128.3 Ų | 128.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -168.4 | 134.6 | -18.1 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 398 | Y | 31.6 | Very low | 33.7 | Very low | 225 Ų | 225 | 125.7 Ų | 125.7 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | trans | 61.6 | 163.7 | 139.7 | -87.2 | -105.2 | 0 | 0 | 0 | 119.9 | ||||
| 399 | P | 38.1 | Very low | 34 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | trans | -130.8 | -107 | -134.1 | 27.2 | -0.4 | 0 | 0 | 0 | 118.2 | ||||
| 400 | P | 41.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 123.4 Ų | 123.4 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | -111.4 | -175.6 | -112.1 | 41.4 | -28 | 0 | 0 | 0 | 113.5 | |||||
| 401 | I | 35.2 | Very low | 34 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | -162.1 | 115.7 | 154.9 | -102.8 | 143.6 | 0 | 0 | 0 | 106.3 | ||||
| 402 | S | 34.4 | Very low | 34.1 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | 72.8 | 152.2 | 99.5 | 120.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 403 | S | 34.1 | Very low | 34 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | cis | -172.5 | -175.1 | -5.2 | 45 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 404 | I | 36.7 | Very low | 33.9 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | 73.9 | 148.1 | 163.6 | -56 | 151.6 | 0 | 0 | 0 | 115.2 | ||||
| 405 | N | 32.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -175.4 | 154.5 | -47.3 | -118.5 | -18.9 | 0 | 0 | 0 | 109.1 | ||||
| 406 | L | 32.8 | Very low | 33.7 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | 66.4 | 143.2 | 150.8 | -92 | 62 | 0 | 0 | 0 | 122.5 | ||||
| 407 | L | 34.6 | Very low | 33.3 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | 60.5 | 123.8 | 151.4 | -89.6 | 62.4 | 0 | 0 | 0 | 121.4 | ||||
| 408 | G | 32.3 | Very low | 33.3 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -106.4 | -154.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 409 | P | 40.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 89% | 0.89 | 75% | 0.753 | S | S | * | * | cis | -122.6 | 168.8 | -5.9 | 40.8 | -27.9 | 0 | 0 | 0 | 113.4 | ||||
| 410 | G | 32.6 | Very low | 32.7 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -176.5 | 136.6 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 411 | Y | 30.8 | Very low | 32.1 | Very low | 234 Ų | 234 | 131.4 Ų | 131.4 | 92% | 0.918 | 76% | 0.764 | S | S | * | * | trans | -77.9 | 154.3 | 155.7 | -79.5 | -94.1 | 0 | 0 | 0 | 108.7 | ||||
| 412 | P | 34.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -138.6 | 157.4 | 104.6 | 36.9 | -25.8 | 0 | 0 | 0 | 114.9 | |||||
| 413 | R | 29 | Very low | 31.9 | Very low | 233 Ų | 233 | 131.2 Ų | 131.2 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -91.3 | 150 | 158.5 | 168.1 | -174.3 | 176.6 | -171.2 | 0.3 | 107.8 | ||||
| 414 | T | 29.6 | Very low | 31.6 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 129.7 | 152.2 | 167.7 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 415 | T | 28.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 132.8 Ų | 132.8 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | cis | -162.4 | 173.4 | -30.9 | -68.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 416 | T | 30.7 | Very low | 31.6 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 69.2 | 144.7 | 155.9 | 30.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 417 | C | 26.2 | Very low | 31.8 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -171.3 | -177.9 | -16.7 | 47.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 418 | L | 31.8 | Very low | 31.9 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 83.6 | 116.4 | 155 | -65 | 170.3 | 0 | 0 | 0 | 121.1 | ||||
| 419 | S | 30.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 80.7 | 91.6 | 125.7 | -57.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 420 | T | 26.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | -105.4 | 159 | 120.2 | 58.8 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 421 | T | 30.9 | Very low | 32.6 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | -154.9 | 171.8 | 13.5 | -25.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 422 | L | 30.2 | Very low | 32.9 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | 132 | 105.8 | 133.4 | -168.7 | 72.4 | 0 | 0 | 0 | 115.1 | ||||
| 423 | A | 34 | Very low | 33 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -161.5 | 117.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 424 | N | 28.7 | Very low | 33.4 | Very low | 142 Ų | 142 | 121.5 Ų | 121.5 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | -80.8 | 157.6 | 162.9 | -67.2 | -22.8 | 0 | 0 | 0 | 108.9 | ||||
| 425 | T | 34 | Very low | 33.7 | Very low | 127 Ų | 127 | 122 Ų | 122 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -178.2 | 131.1 | 117.8 | 30.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 426 | T | 35.2 | Very low | 34 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 65.9 | 145.3 | 139.1 | 57.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 427 | S | 36.4 | Very low | 34.2 | Very low | 101 Ų | 101 | 121 Ų | 121 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 74.3 | 141.5 | 141.2 | 52 | 0 | 0 | 0 | 0 | 122 | ||||
| 428 | T | 37.4 | Very low | 34.6 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | cis | -166.9 | 174.3 | -22.8 | 35.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 429 | D | 38.4 | Very low | 34.5 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | 88.6 | 163.8 | 149 | -57 | -47.5 | 0 | 0 | 0 | 122 | ||||
| 430 | S | 34.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -137.8 | -179.9 | -160.5 | -47.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 431 | P | 46.8 | Very low | 34.8 | Very low | 132 Ų | 132 | 121.9 Ų | 121.9 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | -149.8 | -157.2 | 104.2 | 39.4 | -20.3 | 0 | 0 | 0 | 115.1 | |||||
| 432 | T | 36.5 | Very low | 35.1 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -139.3 | -175.5 | -150.4 | 55.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 433 | S | 36.8 | Very low | 35.1 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 98 | 153.2 | 158.8 | 81.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 434 | S | 37.9 | Very low | 35.1 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | -176.5 | 141.1 | -33.4 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 435 | T | 36.2 | Very low | 35.3 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | 61.6 | 164.9 | 158.5 | 64.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 436 | S | 34.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | cis | -148.3 | -175.8 | 1.5 | -153.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 437 | A | 34.6 | Very low | 34.8 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -107.1 | 173 | -172 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 438 | V | 34.8 | Very low | 34.5 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | trans | -164.5 | 166.7 | 145.4 | 137 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 439 | V | 30.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -127.5 | 174.7 | -158.4 | -178.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 440 | L | 32.7 | Very low | 33.7 | Very low | 162 Ų | 162 | 125.7 Ų | 125.7 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | trans | 93.6 | 148.4 | 169.9 | -52.9 | 169.3 | 0 | 0 | 0 | 114.6 | ||||
| 441 | S | 29.8 | Very low | 33.6 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 53% | 0.531 | 76% | 0.761 | S | S | . | * | cis | 156.5 | 116.7 | -20.8 | 170.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 442 | H | 37.1 | Very low | 32.8 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 160.3 | 123.1 | 133.7 | -87 | -56 | 0 | 0 | 0 | 114.9 | ||||
| 443 | N | 31 | Very low | 32.5 | Very low | 116 Ų | 116 | 126 Ų | 126 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | 45.5 | 121.8 | 122.8 | -68.4 | 71.1 | 0 | 0 | 0 | 122.8 | |||||
| 444 | D | 32.2 | Very low | 32.2 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | 88.3 | 153.1 | 121 | -59.6 | -20.4 | 0 | 0 | 0 | 123.7 | |||||
| 445 | E | 33.7 | Very low | 31.8 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | 78.3 | 141.7 | 168.1 | -58.3 | -154.6 | 116.5 | 0 | 0 | 121.3 | ||||
| 446 | C | 25.8 | Very low | 31.4 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -92.8 | 176 | -175.7 | -53 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 447 | I | 32.7 | Very low | 31.2 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 175.1 | 101.8 | 115 | -87.8 | 158.1 | 0 | 0 | 0 | 112.3 | |||||
| 448 | S | 29.3 | Very low | 30.8 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 143.9 | 131.2 | 90.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 449 | L | 29.6 | Very low | 30.5 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 78.6 | 89.6 | 136.2 | -72.7 | 163.7 | 0 | 0 | 0 | 123.2 | ||||
| 450 | S | 30.2 | Very low | 30.4 | Very low | 94 Ų | 94 | 133.9 Ų | 133.9 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | 73.2 | 126.6 | 120.4 | 79.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 451 | H | 32.3 | Very low | 30.4 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | -166.5 | 169.6 | 94.8 | -118.3 | 59.8 | 0 | 0 | 0 | 113.1 | |||||
| 452 | S | 30.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -61.2 | 144.2 | -174.6 | -52.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 453 | G | 30.5 | Very low | 30.8 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -147.9 | -18.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 454 | A | 29.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | 59.8 | -165.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 455 | V | 30.5 | Very low | 31.4 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | 79.3 | 145 | -176 | -168 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 456 | F | 27.1 | Very low | 31.4 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -59.3 | 149.8 | 179.8 | -76.4 | -117.7 | 0 | 0 | 0 | 113.4 | ||||
| 457 | N | 30.4 | Very low | 32.1 | Very low | 163 Ų | 163 | 133.6 Ų | 133.6 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -156.7 | 165.5 | 131.8 | -108.4 | -18.7 | 0 | 0 | 0 | 112.4 | ||||
| 458 | C | 25.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | -124.6 | 127.5 | -172.8 | -43.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 459 | I | 30.2 | Very low | 32.7 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 82% | 0.815 | 76% | 0.763 | S | S | * | * | trans | -178 | 153.1 | 169.3 | 32.8 | 179.3 | 0 | 0 | 0 | 108.1 | ||||
| 460 | D | 28.8 | Very low | 33 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | cis | -165.9 | -177.7 | -30.4 | -140.6 | -45.2 | 0 | 0 | 0 | 108.9 | ||||
| 461 | E | 31.7 | Very low | 33.2 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 154.4 | 156.3 | -75.3 | 177.2 | -131.1 | 0 | 0 | 118.4 | ||||
| 462 | N | 36.3 | Very low | 33.5 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | cis | -142.5 | 145.5 | -6.4 | -99.7 | -43.9 | 0 | 0 | 0 | 106.6 | ||||
| 463 | I | 38.5 | Very low | 33.8 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | 57.8 | 123.2 | 76.4 | -65.6 | 179.4 | 0 | 0 | 0 | 110.8 | |||||
| 464 | D | 37.6 | Very low | 34 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | cis | -161.8 | -161.5 | 14.2 | -133.1 | 9.1 | 0 | 0 | 0 | 110 | ||||
| 465 | P | 39.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | -127.6 | -157.6 | -69.6 | 35.7 | -14.8 | 0 | 0 | 0 | 113.2 | |||||
| 466 | L | 33.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | 83.1 | 95.5 | 153.3 | -162.6 | 76.9 | 0 | 0 | 0 | 119.5 | ||||
| 467 | D | 39.8 | Very low | 35.2 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | -150.9 | 151.1 | 117.7 | -143.3 | -18 | 0 | 0 | 0 | 110.5 | |||||
| 468 | S | 37 | Very low | 35.3 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | -119.5 | 137.1 | -169.6 | -72 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 469 | P | 38.6 | Very low | 35.9 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 152.2 | -172.8 | 33.9 | -36.5 | 0 | 0 | 0 | 113.4 | ||||
| 470 | T | 36.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -125.4 | 149.6 | 160.7 | -55 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 471 | S | 33.4 | Very low | 37.1 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -69 | 173.1 | -179 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 472 | I | 39.4 | Very low | 37.6 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | cis | -149.3 | 123.5 | 29.2 | -57.6 | 162.5 | 0 | 0 | 0 | 111.3 | ||||
| 473 | D | 36.6 | Very low | 39 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | -176.7 | 123.1 | 122.5 | -174.2 | 12.9 | 0 | 0 | 0 | 108.1 | |||||
| 474 | S | 33.1 | Very low | 40.6 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -162.8 | 67.9 | -164.3 | -70.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 475 | S | 34.9 | Very low | 42.8 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -149.7 | 63.8 | 171.6 | -82.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 476 | Q | 41.5 | Very low | 45.1 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -175.8 | -28.1 | 149.3 | -106.8 | 148.3 | 89.5 | 0 | 0 | 116.8 | ||
| 477 | Q | 37 | Very low | 47.9 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -96.2 | 0.5 | -165.9 | -73.4 | -175.7 | -14.1 | 0 | 0 | 116.9 | ||
| 478 | F | 32.5 | Very low | 50.6 | Low | 197 Ų | 197 | 127.6 Ų | 127.6 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -105.3 | 11.4 | -168.8 | -113.3 | -82 | 0 | 0 | 0 | 117.1 | ||
| 479 | M | 37.3 | Very low | 53.4 | Low | 182 Ų | 182 | 128 Ų | 128 | 90% | 0.897 | 68% | 0.675 | S | S | * | * | trans | -106.6 | 9.7 | -172.5 | -73.9 | -168.7 | 166 | 0 | 0 | 116.4 | ||||
| 480 | K | 44.1 | Very low | 56.1 | Low | 174 Ų | 174 | 127.5 Ų | 127.5 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -94.7 | -12.2 | -171.6 | -149.8 | 158.8 | -171 | 166.4 | 0 | 116.3 | I483 | K480-I483 WeakPolarHBondContact O-CD1 3.5Š|
| 481 | D | 40.2 | Very low | 58.9 | Low | 157 Ų | 157 | 121.6 Ų | 121.6 | 84% | 0.84 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -118.3 | -4.3 | -174.5 | -74.2 | -58.6 | 0 | 0 | 0 | 115.8 | I483 | D481-I483 PolarHBondContact O-N 2.95Š|
| 482 | Q | 43 | Very low | 61.9 | Low | 190 Ų | 190 | 116.7 Ų | 116.7 | 89% | 0.888 | 59% | 0.591 | S | S | * | * | trans | -80.6 | 56.4 | 163.8 | -68.9 | -159.4 | 40.5 | 0 | 0 | 111.2 | ||||
| 483 | I | 65.8 | Low | 64.6 | Low | 67 Ų | 67 | 110.5 Ų | 110.5 | 34% | 0.344 | 56% | 0.563 | S | S | . | * | trans | -95.8 | 110.6 | 178.8 | -64.7 | 179.9 | 0 | 0 | 0 | 109 | K480 D481 W531 | K480-I483 WeakPolarHBondContact O-CD1 3.5Å; D481-I483 PolarHBondContact O-N 2.95Å; I483-W531 HydrophobicContact CG2-CZ2 4.33Å | ||
| 484 | E | 71.2 | Confident | 67.5 | Low | 154 Ų | 154 | 106 Ų | 106 | 72% | 0.72 | 54% | 0.541 | S | S | * | . | trans | -48.3 | 137.2 | -177.1 | -165.9 | 177.6 | -169.2 | 0 | 0 | 112.8 | L486 | E484-L486 PolarHBondContact O-N 2.87Š| ||
| 485 | P | 83.5 | Confident | 70.4 | Confident | 99 Ų | 99 | 100.8 Ų | 100.8 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | trans | -71.6 | 94 | -174.6 | 28.4 | -35.4 | 0 | 0 | 0 | 112.6 | W531 | P485-W531 HydrophobicContact CB-CG 4.26Š| ||
| 486 | L | 88.1 | Confident | 73.3 | Confident | 14 Ų | 14 | 100.9 Ų | 100.9 | 7% | 0.073 | 49% | 0.489 | C | S | . | . | trans | -61.5 | 135.8 | -172.4 | -55.7 | -175.8 | 0 | 0 | 0 | 114.2 | E484 T488 I491 W531 R543 Q546 | E484-L486 PolarHBondContact O-N 2.87Å; L486-T488 PolarHBondContact O-N 3.22Å; L486-I491 HydrophobicContact CB-CD1 3.81Å; L486-I491 HydrophobicContact CD1-CD1 4.2Å; L486-W531 HydrophobicContact CB-CD2 4.38Å; L486-W531 HydrophobicContact CB-CE3 3.84Å; L486-W531 HydrophobicContact CB-CH2 4.16Å; L486-W531 HydrophobicContact CB-CZ3 3.74Å; L486-W531 HydrophobicContact CD1-CH2 3.69Å; L486-W531 HydrophobicContact CD1-CZ3 3.72Å; L486-W531 HydrophobicContact CG-CE3 4.35Å; L486-W531 HydrophobicContact CG-CH2 3.74Å; L486-W531 HydrophobicContact CG-CZ2 4.24Å; L486-W531 HydrophobicContact CG-CZ3 3.82Å; L486-R543 HydrophobicContact CD1-CG 4.07Å; L486-Q546 HydrophobicContact CD1-CB 4.38Å; L486-Q546 VanDerWaalsContact CD2-OE1 3.25Å | ||
| 487 | N | 93 | Very high | 75.9 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | trans | -70 | 93 | 173 | -172.6 | -4.4 | 0 | 0 | 0 | 111.7 | F489 E490 I491 | N487-F489 PolarHBondContact O-N 3.38Å; N487-F489 PolarHBondContact OD1-N 2.97Å; N487-E490 HydrophobicContact CB-CB 4.05Å; N487-E490 VanDerWaalsContact ND2-CB 3.27Å; N487-E490 WeakPolarHBondContact ND2-CB 3.45Å; N487-E490 PolarHBondContact ND2-OE2 2.96Å; N487-E490 PolarHBondContact O-N 2.96Å; N487-E490 PolarHBondContact OD1-N 3.43Å; N487-I491 WeakPolarHBondContact O-CB 3.36Å; N487-I491 WeakPolarHBondContact O-CG1 3.35Å; N487-I491 PolarHBondContact O-N 3.25Å | ||
| 488 | T | 95.4 | Very high | 78.7 | Confident | 2 Ų | 2 | 89 Ų | 89 | 1% | 0.012 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.5 | -28.1 | -178.7 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | L486 A492 R529 P530 W531 L534 Y542 | L486-T488 PolarHBondContact O-N 3.22Å; T488-A492 VanDerWaalsContact O-CB 3.24Å; T488-A492 WeakPolarHBondContact O-CB 3.26Å; T488-A492 PolarHBondContact O-N 3.01Å; T488-R529 WeakPolarHBondContact CB-O 3.2Å; T488-R529 WeakPolarHBondContact CG2-O 3.35Å; T488-R529 PolarHBondContact OG1-O 3.02Å; T488-R529 VanDerWaalsContact OG1-O 3.05Å; T488-P530 WeakPolarHBondContact OG1-CA 3.44Å; T488-W531 HydrophobicContact CG2-CB 4.32Å; T488-W531 HydrophobicContact CG2-CE3 4.15Å; T488-L534 HydrophobicContact CG2-CD1 3.69Å; T488-Y542 HydrophobicContact CG2-CD1 4Å; T488-Y542 HydrophobicContact CG2-CD2 4.12Å; T488-Y542 HydrophobicContact CG2-CE1 4.1Å; T488-Y542 HydrophobicContact CG2-CE2 4.19Å; T488-Y542 HydrophobicContact CG2-CG 4.02Å; T488-Y542 VanDerWaalsContact O-CE1 3.26Å; T488-Y542 WeakPolarHBondContact O-CE1 3.46Å |
| 489 | F | 95.9 | Very high | 81.6 | Confident | 103 Ų | 103 | 80 Ų | 80 | 45% | 0.452 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -77.2 | -45.5 | -177.8 | -66.2 | -88.5 | 0 | 0 | 0 | 111.3 | N487 A492 A493 P528 P530 | N487-F489 PolarHBondContact O-N 3.38Å; N487-F489 PolarHBondContact OD1-N 2.97Å; F489-A492 PolarHBondContact O-N 2.82Å; F489-A493 PolarHBondContact O-N 2.85Å; F489-P528 HydrophobicContact CD1-CB 4.21Å; F489-P528 HydrophobicContact CD1-CG 3.57Å; F489-P528 HydrophobicContact CE1-CB 4.43Å; F489-P528 HydrophobicContact CE1-CG 3.95Å; F489-P528 WeakPolarHBondContact CE1-O 3.38Å; F489-P528 HydrophobicContact CG-CG 4.29Å; F489-P530 HydrophobicContact CE2-CB 4.06Å |
| 490 | E | 95.6 | Very high | 84.2 | Confident | 119 Ų | 119 | 76.6 Ų | 76.6 | 56% | 0.556 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.5 | -47.8 | 175.7 | -178.9 | -175.9 | 166.8 | 0 | 0 | 111.6 | N487 A492 A493 T494 | N487-E490 HydrophobicContact CB-CB 4.05Å; N487-E490 VanDerWaalsContact ND2-CB 3.27Å; N487-E490 WeakPolarHBondContact ND2-CB 3.45Å; N487-E490 PolarHBondContact ND2-OE2 2.96Å; N487-E490 PolarHBondContact O-N 2.96Å; N487-E490 PolarHBondContact OD1-N 3.43Å; E490-A492 PolarHBondContact O-N 3.2Å; E490-A493 WeakPolarHBondContact O-CA 3.38Å; E490-A493 WeakPolarHBondContact O-CB 3.46Å; E490-A493 PolarHBondContact O-N 3.4Å; E490-T494 PolarHBondContact O-N 3.34Å; E490-T494 PolarHBondContact O-OG1 3.02Å |
| 491 | I | 95.9 | Very high | 86.6 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56 | -40.3 | 173.8 | -69.5 | 166.5 | 0 | 0 | 0 | 111 | L486 N487 V495 Y542 L545 Q546 I549 | L486-I491 HydrophobicContact CB-CD1 3.81Å; L486-I491 HydrophobicContact CD1-CD1 4.2Å; N487-I491 WeakPolarHBondContact O-CB 3.36Å; N487-I491 WeakPolarHBondContact O-CG1 3.35Å; N487-I491 PolarHBondContact O-N 3.25Å; I491-V495 WeakPolarHBondContact O-CB 3.28Å; I491-V495 WeakPolarHBondContact O-CG2 3.39Å; I491-V495 PolarHBondContact O-N 3.17Å; I491-Y542 HydrophobicContact CB-CD1 4.16Å; I491-Y542 HydrophobicContact CG2-CD1 3.78Å; I491-Y542 HydrophobicContact CG2-CE1 4.43Å; I491-L545 HydrophobicContact CG2-CB 3.44Å; I491-L545 VanDerWaalsContact CG2-CB 3.44Å; I491-L545 HydrophobicContact CG2-CD1 3.88Å; I491-L545 HydrophobicContact CG2-CG 4.31Å; I491-Q546 HydrophobicContact CD1-CB 4.08Å; I491-Q546 HydrophobicContact CD1-CG 4.43Å; I491-I549 HydrophobicContact CB-CD1 4.43Å; I491-I549 HydrophobicContact CG1-CD1 4.45Å; I491-I549 HydrophobicContact CG2-CD1 4.02Å |
| 492 | A | 96.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.6 | -25.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T488 F489 E490 R496 L525 P528 Y542 | T488-A492 VanDerWaalsContact O-CB 3.24Å; T488-A492 WeakPolarHBondContact O-CB 3.26Å; T488-A492 PolarHBondContact O-N 3.01Å; F489-A492 PolarHBondContact O-N 2.82Å; E490-A492 PolarHBondContact O-N 3.2Å; A492-R496 WeakPolarHBondContact O-CG 3.38Å; A492-R496 PolarHBondContact O-NE 2.98Å; A492-L525 HydrophobicContact CB-CD2 4.23Å; A492-P528 HydrophobicContact CB-CB 3.86Å; A492-P528 HydrophobicContact CB-CG 3.91Å; A492-Y542 HydrophobicContact CB-CE1 4.49Å |
| 493 | A | 96.2 | Very high | 91.4 | Very high | 29 Ų | 29 | 70.5 Ų | 70.5 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -74.4 | -58.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | F489 E490 V495 R496 D497 | F489-A493 PolarHBondContact O-N 2.85Å; E490-A493 WeakPolarHBondContact O-CA 3.38Å; E490-A493 WeakPolarHBondContact O-CB 3.46Å; E490-A493 PolarHBondContact O-N 3.4Å; A493-V495 PolarHBondContact O-N 2.92Å; A493-V495 VanDerWaalsContact O-N 3.09Å; A493-R496 WeakPolarHBondContact O-CA 3.44Å; A493-R496 WeakPolarHBondContact O-CB 3.46Å; A493-R496 PolarHBondContact O-N 3.46Å; A493-D497 PolarHBondContact O-N 2.97Å |
| 494 | T | 95.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 67.9 Ų | 67.9 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.3 | -35 | -178 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | E490 D497 L498 I549 | E490-T494 PolarHBondContact O-N 3.34Å; E490-T494 PolarHBondContact O-OG1 3.02Å; T494-D497 PolarHBondContact O-N 3.21Å; T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 WeakPolarHBondContact O-CB 3.47Å; T494-L498 VanDerWaalsContact O-CG 3.29Å; T494-L498 WeakPolarHBondContact O-CG 3.33Å; T494-L498 PolarHBondContact O-N 2.75Å; T494-I549 HydrophobicContact CG2-CD1 4.2Å; T494-I549 HydrophobicContact CG2-CG1 4.34Å; T494-I549 HydrophobicContact CG2-CG2 3.78Å |
| 495 | V | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 173.4 | 174.1 | 0 | 0 | 0 | 0 | 112.5 | I491 A493 D497 L499 F509 M521 L525 L545 I549 | I491-V495 WeakPolarHBondContact O-CB 3.28Å; I491-V495 WeakPolarHBondContact O-CG2 3.39Å; I491-V495 PolarHBondContact O-N 3.17Å; A493-V495 PolarHBondContact O-N 2.92Å; A493-V495 VanDerWaalsContact O-N 3.09Å; V495-D497 VanDerWaalsContact C-N 3.28Å; V495-D497 PolarHBondContact O-N 2.82Å; V495-L499 HydrophobicContact CG1-CD1 3.82Å; V495-L499 HydrophobicContact CG1-CG 4.2Å; V495-L499 VanDerWaalsContact O-CB 3.26Å; V495-L499 WeakPolarHBondContact O-CB 3.32Å; V495-L499 WeakPolarHBondContact O-CG 3.43Å; V495-L499 PolarHBondContact O-N 2.99Å; V495-F509 HydrophobicContact CG1-CE1 4.45Å; V495-F509 HydrophobicContact CG1-CE2 4.39Å; V495-F509 HydrophobicContact CG1-CZ 4.1Å; V495-M521 HydrophobicContact CG1-CE 4.12Å; V495-L525 HydrophobicContact CB-CD2 3.88Å; V495-L525 HydrophobicContact CG1-CD1 4.04Å; V495-L525 HydrophobicContact CG1-CD2 3.75Å; V495-L545 HydrophobicContact CG1-CD2 4.14Å; V495-L545 HydrophobicContact CG2-CB 4.21Å; V495-L545 HydrophobicContact CG2-CD1 4.39Å; V495-L545 HydrophobicContact CG2-CD2 3.95Å; V495-L545 HydrophobicContact CG2-CG 4.41Å; V495-I549 HydrophobicContact CG2-CD1 3.74Å; V495-I549 HydrophobicContact CG2-CG1 3.82Å |
| 496 | R | 95.3 | Very high | 94.1 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 174.2 | -77.1 | 177.6 | -73.7 | 150.9 | -3.2 | 110.8 | A492 A493 L499 T500 L525 | A492-R496 WeakPolarHBondContact O-CG 3.38Å; A492-R496 PolarHBondContact O-NE 2.98Å; A493-R496 WeakPolarHBondContact O-CA 3.44Å; A493-R496 WeakPolarHBondContact O-CB 3.46Å; A493-R496 PolarHBondContact O-N 3.46Å; R496-L499 PolarHBondContact O-N 3.45Å; R496-T500 WeakPolarHBondContact O-CB 3.12Å; R496-T500 PolarHBondContact O-N 3.42Å; R496-T500 PolarHBondContact O-OG1 3.49Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 4Å; R496-L525 HydrophobicContact CG-CG 4.42Å; R496-L525 PolarHBondContact NE-O 3.44Å |
| 497 | D | 95.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 70.3 Ų | 70.3 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.1 | -45.4 | -176.9 | -62 | -9.9 | 0 | 0 | 0 | 111.3 | A493 T494 V495 L499 T500 K501 | A493-D497 PolarHBondContact O-N 2.97Å; T494-D497 PolarHBondContact O-N 3.21Å; V495-D497 VanDerWaalsContact C-N 3.28Å; V495-D497 PolarHBondContact O-N 2.82Å; D497-L499 PolarHBondContact O-N 2.94Å; D497-T500 PolarHBondContact O-N 3.31Å; D497-K501 WeakPolarHBondContact O-CB 3.48Å; D497-K501 PolarHBondContact O-N 3.4Å |
| 498 | L | 94.6 | Very high | 94.1 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 173.2 | -75.4 | 170.7 | 0 | 0 | 0 | 112.6 | T494 T500 H502 W548 I549 | T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 WeakPolarHBondContact O-CB 3.47Å; T494-L498 VanDerWaalsContact O-CG 3.29Å; T494-L498 WeakPolarHBondContact O-CG 3.33Å; T494-L498 PolarHBondContact O-N 2.75Å; L498-T500 VanDerWaalsContact C-N 3.34Å; L498-H502 PolarHBondContact O-CD2 2.92Å; L498-H502 VanDerWaalsContact O-CD2 3.31Å; L498-H502 PolarHBondContact O-N 2.93Å; L498-H502 VanDerWaalsContact O-N 3.17Å; L498-W548 HydrophobicContact CB-CH2 4.05Å; L498-W548 HydrophobicContact CB-CZ3 4.06Å; L498-W548 HydrophobicContact CD1-CH2 4.3Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; L498-I549 HydrophobicContact CD1-CG1 4.3Å; L498-I549 HydrophobicContact CD1-CG2 4.34Å |
| 499 | L | 94 | Very high | 94.1 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.3 | -74.2 | 175.7 | 0 | 0 | 0 | 111.9 | V495 R496 D497 N503 I504 Q506 F509 L525 | V495-L499 HydrophobicContact CG1-CD1 3.82Å; V495-L499 HydrophobicContact CG1-CG 4.2Å; V495-L499 VanDerWaalsContact O-CB 3.26Å; V495-L499 WeakPolarHBondContact O-CB 3.32Å; V495-L499 WeakPolarHBondContact O-CG 3.43Å; V495-L499 PolarHBondContact O-N 2.99Å; R496-L499 PolarHBondContact O-N 3.45Å; D497-L499 PolarHBondContact O-N 2.94Å; L499-N503 PolarHBondContact O-N 3.25Å; L499-I504 HydrophobicContact CD2-CB 3.62Å; L499-I504 HydrophobicContact CD2-CG2 3.42Å; L499-I504 VanDerWaalsContact CD2-CG2 3.42Å; L499-I504 PolarHBondContact O-N 2.82Å; L499-Q506 HydrophobicContact CD1-CG 4.05Å; L499-F509 HydrophobicContact CD1-CG 4.41Å; L499-F509 HydrophobicContact CD2-CB 3.78Å; L499-F509 HydrophobicContact CD2-CD2 3.53Å; L499-F509 HydrophobicContact CD2-CE2 4.36Å; L499-F509 HydrophobicContact CD2-CG 3.86Å; L499-F509 HydrophobicContact CG-CD2 4.37Å; L499-L525 HydrophobicContact CD1-CD1 3.98Å |
| 500 | T | 93.2 | Very high | 93.9 | Very high | 111 Ų | 111 | 63 Ų | 63 | 68% | 0.681 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70.8 | -52.2 | 179.7 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | R496 D497 L498 H502 N503 | R496-T500 WeakPolarHBondContact O-CB 3.12Å; R496-T500 PolarHBondContact O-N 3.42Å; R496-T500 PolarHBondContact O-OG1 3.49Å; D497-T500 PolarHBondContact O-N 3.31Å; L498-T500 VanDerWaalsContact C-N 3.34Å; T500-H502 PolarHBondContact O-N 3.1Å; T500-H502 VanDerWaalsContact O-N 3.14Å; T500-N503 PolarHBondContact O-N 3.25Å |
| 501 | K | 93.8 | Very high | 93.7 | Very high | 168 Ų | 168 | 65.3 Ų | 65.3 | 73% | 0.73 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -54.8 | -32.1 | 179.3 | -176.4 | 175.6 | -176.5 | 174.7 | 0 | 113.9 | D497 | D497-K501 WeakPolarHBondContact O-CB 3.48Å; D497-K501 PolarHBondContact O-N 3.4Å |
| 502 | H | 91.7 | Very high | 93.4 | Very high | 69 Ų | 69 | 66.4 Ų | 66.4 | 32% | 0.319 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 9 | 180 | -63.1 | -63.6 | 0 | 0 | 0 | 114.4 | L498 T500 I504 V555 | L498-H502 PolarHBondContact O-CD2 2.92Å; L498-H502 VanDerWaalsContact O-CD2 3.31Å; L498-H502 PolarHBondContact O-N 2.93Å; L498-H502 VanDerWaalsContact O-N 3.17Å; T500-H502 PolarHBondContact O-N 3.1Å; T500-H502 VanDerWaalsContact O-N 3.14Å; H502-I504 VanDerWaalsContact C-N 3.31Å; H502-I504 HydrophobicContact CB-CD1 3.71Å; H502-I504 HydrophobicContact CB-CG1 4Å; H502-I504 PolarHBondContact O-N 2.91Å; H502-V555 HydrophobicContact CB-CG1 4.04Å; H502-V555 HydrophobicContact CB-CG2 4.12Å; H502-V555 VanDerWaalsContact CD2-CG2 3.43Å; H502-V555 WeakPolarHBondContact CD2-CG2 3.29Å |
| 503 | N | 92.6 | Very high | 93.1 | Very high | 155 Ų | 155 | 68.1 Ų | 68.1 | 83% | 0.829 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 45.8 | -179 | -162.7 | 5 | 0 | 0 | 0 | 113.4 | L499 T500 | L499-N503 PolarHBondContact O-N 3.25Å; T500-N503 PolarHBondContact O-N 3.25Å |
| 504 | I | 91.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | trans | -98.2 | 116.3 | -179.2 | -61.6 | 164 | 0 | 0 | 0 | 108.7 | L499 H502 Q506 F509 V555 L558 | L499-I504 HydrophobicContact CD2-CB 3.62Å; L499-I504 HydrophobicContact CD2-CG2 3.42Å; L499-I504 VanDerWaalsContact CD2-CG2 3.42Å; L499-I504 PolarHBondContact O-N 2.82Å; H502-I504 VanDerWaalsContact C-N 3.31Å; H502-I504 HydrophobicContact CB-CD1 3.71Å; H502-I504 HydrophobicContact CB-CG1 4Å; H502-I504 PolarHBondContact O-N 2.91Å; I504-Q506 PolarHBondContact O-N 3.28Å; I504-F509 HydrophobicContact CG2-CB 4.4Å; I504-V555 HydrophobicContact CD1-CG1 4.32Å; I504-V555 HydrophobicContact CD1-CG2 3.95Å; I504-L558 HydrophobicContact CD1-CD2 4.21Å; I504-L558 HydrophobicContact CG2-CD2 3.48Å; I504-L558 VanDerWaalsContact CG2-CD2 3.48Å | ||
| 505 | S | 91.7 | Very high | 92.6 | Very high | 62 Ų | 62 | 71.8 Ų | 71.8 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | trans | -63.1 | 134.7 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 112 | R507 Q508 F509 | S505-R507 PolarHBondContact O-N 3.03Å; S505-Q508 WeakPolarHBondContact O-CB 3.42Å; S505-Q508 PolarHBondContact O-N 3.03Å; S505-Q508 WeakPolarHBondContact OG-CB 3.48Å; S505-Q508 PolarHBondContact OG-N 3.26Å; S505-F509 PolarHBondContact O-N 3.42Å; S505-F509 VanDerWaalsContact O-N 3.11Å | ||
| 506 | Q | 92.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 73.6 Ų | 73.6 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -52.4 | -31 | 174.3 | -69.4 | -179.3 | 9.7 | 0 | 0 | 112.5 | L499 I504 F509 S510 Q518 M521 | L499-Q506 HydrophobicContact CD1-CG 4.05Å; I504-Q506 PolarHBondContact O-N 3.28Å; Q506-F509 PolarHBondContact O-N 2.94Å; Q506-S510 VanDerWaalsContact O-CB 3.31Å; Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-Q518 HydrophobicContact CB-CG 4.41Å; Q506-M521 HydrophobicContact CB-CG 4.47Å |
| 507 | R | 92.7 | Very high | 92.1 | Very high | 195 Ų | 195 | 71.8 Ų | 71.8 | 74% | 0.736 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.4 | -35.1 | 177.2 | -172.7 | -178.5 | -178.7 | -167.4 | 1.4 | 113.5 | S505 R511 Q518 | S505-R507 PolarHBondContact O-N 3.03Å; R507-R511 WeakPolarHBondContact O-CB 3.36Å; R507-Q518 HydrophobicContact CB-CB 4.18Å; R507-Q518 HydrophobicContact CB-CG 4.05Å; R507-Q518 HydrophobicContact CG-CB 4.32Å |
| 508 | Q | 89.7 | Confident | 91.7 | Very high | 28 Ų | 28 | 71.2 Ų | 71.2 | 13% | 0.131 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.3 | -50.4 | 173.7 | 171.6 | 176.1 | -23.7 | 0 | 0 | 109.6 | S505 S510 R511 H512 L558 Q562 | S505-Q508 WeakPolarHBondContact O-CB 3.42Å; S505-Q508 PolarHBondContact O-N 3.03Å; S505-Q508 WeakPolarHBondContact OG-CB 3.48Å; S505-Q508 PolarHBondContact OG-N 3.26Å; Q508-S510 PolarHBondContact O-N 2.77Å; Q508-R511 PolarHBondContact O-N 3.08Å; Q508-H512 PolarHBondContact O-CD2 3.49Å; Q508-H512 VanDerWaalsContact O-CD2 3.22Å; Q508-H512 PolarHBondContact O-N 2.97Å; Q508-L558 HydrophobicContact CG-CD1 4.13Å; Q508-L558 HydrophobicContact CG-CD2 4.48Å; Q508-L558 HydrophobicContact CG-CG 4.32Å; Q508-L558 PolarHBondContact NE2-O 2.95Å; Q508-Q562 VanDerWaalsContact CD-NE2 3.34Å; Q508-Q562 VanDerWaalsContact NE2-CG 3.27Å; Q508-Q562 VanDerWaalsContact NE2-NE2 3.13Å |
| 509 | F | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.5 | -53.8 | 178.5 | -174.4 | -80.7 | 0 | 0 | 0 | 112.3 | V495 L499 I504 S505 Q506 R511 H512 I513 L514 M521 L545 W548 L558 | V495-F509 HydrophobicContact CG1-CE1 4.45Å; V495-F509 HydrophobicContact CG1-CE2 4.39Å; V495-F509 HydrophobicContact CG1-CZ 4.1Å; L499-F509 HydrophobicContact CD1-CG 4.41Å; L499-F509 HydrophobicContact CD2-CB 3.78Å; L499-F509 HydrophobicContact CD2-CD2 3.53Å; L499-F509 HydrophobicContact CD2-CE2 4.36Å; L499-F509 HydrophobicContact CD2-CG 3.86Å; L499-F509 HydrophobicContact CG-CD2 4.37Å; I504-F509 HydrophobicContact CG2-CB 4.4Å; S505-F509 PolarHBondContact O-N 3.42Å; S505-F509 VanDerWaalsContact O-N 3.11Å; Q506-F509 PolarHBondContact O-N 2.94Å; F509-R511 VanDerWaalsContact C-N 3.27Å; F509-R511 PolarHBondContact O-N 2.81Å; F509-H512 PolarHBondContact O-N 3.41Å; F509-I513 HydrophobicContact CD2-CD1 3.41Å; F509-I513 VanDerWaalsContact CD2-CD1 3.41Å; F509-I513 HydrophobicContact CE1-CB 4.28Å; F509-I513 HydrophobicContact CE1-CG2 4.23Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.03Å; F509-I513 HydrophobicContact CZ-CB 4.29Å; F509-I513 HydrophobicContact CZ-CD1 4.01Å; F509-I513 HydrophobicContact CZ-CG2 4.01Å; F509-I513 PolarHBondContact O-N 3.05Å; F509-L514 HydrophobicContact CE1-CD1 4.46Å; F509-L514 HydrophobicContact CE1-CG 4.04Å; F509-M521 HydrophobicContact CD1-CE 3.32Å; F509-M521 HydrophobicContact CD1-SD 3.58Å; F509-M521 VanDerWaalsContact CD1-SD 3.58Å; F509-M521 HydrophobicContact CE1-CE 3.34Å; F509-M521 HydrophobicContact CE1-SD 3.86Å; F509-M521 HydrophobicContact CG-CE 4.36Å; F509-M521 HydrophobicContact CZ-CE 4.35Å; F509-L545 HydrophobicContact CE1-CD2 3.47Å; F509-L545 VanDerWaalsContact CE1-CD2 3.47Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; F509-W548 HydrophobicContact CD2-CH2 4.27Å; F509-W548 HydrophobicContact CD2-CZ2 4.14Å; F509-W548 AromaticContact CE2-CD2 3.5Å; F509-W548 HydrophobicContact CE2-CD2 3.5Å; F509-W548 VanDerWaalsContact CE2-CD2 3.5Å; F509-W548 AromaticContact CE2-CE2 3.59Å; F509-W548 AromaticContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CG 4.21Å; F509-W548 AromaticContact CE2-CH2 3.74Å; F509-W548 HydrophobicContact CE2-CH2 3.74Å; F509-W548 AromaticContact CE2-CZ2 3.73Å; F509-W548 HydrophobicContact CE2-CZ2 3.73Å; F509-W548 AromaticContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CZ-CD2 4.02Å; F509-W548 AromaticContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CG 4.43Å; F509-W548 HydrophobicContact CZ-CZ3 4.36Å; F509-L558 HydrophobicContact CD2-CD2 4.23Å |
| 510 | S | 93.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | I | π-helix | trans | -59.2 | -39.6 | -176.5 | 86.1 | 0 | 0 | 0 | 0 | 111.8 | Q506 Q508 K515 L516 Q518 | Q506-S510 VanDerWaalsContact O-CB 3.31Å; Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q508-S510 PolarHBondContact O-N 2.77Å; S510-K515 CarbonylContact O-C 3.45Å; S510-K515 VanDerWaalsContact O-CA 3.24Å; S510-K515 WeakPolarHBondContact O-CA 3.43Å; S510-K515 PolarHBondContact O-N 3Å; S510-L516 CarbonylContact C-O 3.39Å; S510-L516 VanDerWaalsContact CB-O 3.25Å; S510-L516 WeakPolarHBondContact CB-O 3.29Å; S510-L516 PolarHBondContact O-N 3.45Å; S510-L516 PolarHBondContact OG-O 3.44Å; S510-Q518 PolarHBondContact OG-N 3.18Å |
| 511 | R | 90.8 | Very high | 91.6 | Very high | 166 Ų | 166 | 69.1 Ų | 69.1 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | I | π-helix | trans | -72.6 | -36.4 | -178.4 | -175.9 | 174.1 | -175.9 | -177.3 | 0.5 | 113 | R507 Q508 F509 | R507-R511 WeakPolarHBondContact O-CB 3.36Å; Q508-R511 PolarHBondContact O-N 3.08Å; F509-R511 VanDerWaalsContact C-N 3.27Å; F509-R511 PolarHBondContact O-N 2.81Å |
| 512 | H | 89 | Confident | 91.6 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -92.9 | -38.6 | -172.5 | -77.1 | -100.6 | 0 | 0 | 0 | 113.2 | Q508 F509 K515 L558 T561 R565 | Q508-H512 PolarHBondContact O-CD2 3.49Å; Q508-H512 VanDerWaalsContact O-CD2 3.22Å; Q508-H512 PolarHBondContact O-N 2.97Å; F509-H512 PolarHBondContact O-N 3.41Å; H512-K515 PolarHBondContact O-NZ 3.23Å; H512-L558 HydrophobicContact CB-CD1 3.56Å; H512-T561 WeakPolarHBondContact CE1-CG2 3.42Å; H512-T561 PolarHBondContact CE1-O 3.4Å; H512-T561 VanDerWaalsContact ND1-CG2 3.31Å; H512-T561 WeakPolarHBondContact ND1-CG2 3.41Å; H512-R565 PolarHBondContact CE1-NH1 2.95Å; H512-R565 PolarHBondContact CE1-NH2 3.1Å; H512-R565 PolarHBondContact NE2-NH1 2.93Å |
| 513 | I | 90.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -97.4 | -72.3 | -173.8 | -66.2 | 149.3 | 0 | 0 | 0 | 110.3 | F509 K515 W548 L558 | F509-I513 HydrophobicContact CD2-CD1 3.41Å; F509-I513 VanDerWaalsContact CD2-CD1 3.41Å; F509-I513 HydrophobicContact CE1-CB 4.28Å; F509-I513 HydrophobicContact CE1-CG2 4.23Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.03Å; F509-I513 HydrophobicContact CZ-CB 4.29Å; F509-I513 HydrophobicContact CZ-CD1 4.01Å; F509-I513 HydrophobicContact CZ-CG2 4.01Å; F509-I513 PolarHBondContact O-N 3.05Å; I513-K515 VanDerWaalsContact C-N 3.26Å; I513-K515 PolarHBondContact O-N 3.32Å; I513-W548 HydrophobicContact CD1-CD2 4.24Å; I513-W548 HydrophobicContact CD1-CG 4.09Å; I513-W548 HydrophobicContact CD1-CZ2 4.43Å; I513-W548 HydrophobicContact CG2-CB 4.17Å; I513-W548 HydrophobicContact CG2-CG 4.19Å; I513-L558 HydrophobicContact CD1-CD1 3.96Å; I513-L558 HydrophobicContact CD1-CD2 3.83Å; I513-L558 HydrophobicContact CD1-CG 4.34Å; I513-L558 HydrophobicContact CG1-CD1 4.43Å |
| 514 | L | 90.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -72.4 | -14 | -177.2 | -60.9 | -167.8 | 0 | 0 | 0 | 115.2 | F509 L516 M521 L524 S541 R544 L545 | F509-L514 HydrophobicContact CE1-CD1 4.46Å; F509-L514 HydrophobicContact CE1-CG 4.04Å; L514-L516 HydrophobicContact CB-CB 4.25Å; L514-L516 HydrophobicContact CB-CD1 3.95Å; L514-L516 HydrophobicContact CB-CG 3.83Å; L514-L516 HydrophobicContact CD1-CD1 3.83Å; L514-L516 PolarHBondContact O-N 3.01Å; L514-M521 HydrophobicContact CD1-CE 4.3Å; L514-M521 HydrophobicContact CD1-SD 3.62Å; L514-M521 HydrophobicContact CG-SD 4.29Å; L514-L524 HydrophobicContact CD1-CD2 3.71Å; L514-S541 WeakPolarHBondContact CD2-O 3.45Å; L514-R544 HydrophobicContact CD2-CB 3.42Å; L514-R544 VanDerWaalsContact CD2-CB 3.42Å; L514-L545 HydrophobicContact CD1-CD2 3.81Å; L514-L545 HydrophobicContact CD1-CG 4.1Å; L514-L545 HydrophobicContact CD2-CD2 3.98Å; L514-L545 HydrophobicContact CD2-CG 4.17Å; L514-L545 HydrophobicContact CG-CD2 4.07Å |
| 515 | K | 90.9 | Very high | 92 | Very high | 154 Ų | 154 | 58.7 Ų | 58.7 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | trans | 57.5 | 27.5 | -169.7 | -38.1 | -57.5 | -176.2 | -174 | 0 | 113.9 | S510 H512 I513 | S510-K515 CarbonylContact O-C 3.45Å; S510-K515 VanDerWaalsContact O-CA 3.24Å; S510-K515 WeakPolarHBondContact O-CA 3.43Å; S510-K515 PolarHBondContact O-N 3Å; H512-K515 PolarHBondContact O-NZ 3.23Å; I513-K515 VanDerWaalsContact C-N 3.26Å; I513-K515 PolarHBondContact O-N 3.32Å | ||
| 516 | L | 91.2 | Very high | 92 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 19% | 0.194 | 30% | 0.298 | C | S | . | . | trans | -98.6 | 163.7 | -178.7 | -65.6 | -179.5 | 0 | 0 | 0 | 113.2 | S510 L514 T520 | S510-L516 CarbonylContact C-O 3.39Å; S510-L516 VanDerWaalsContact CB-O 3.25Å; S510-L516 WeakPolarHBondContact CB-O 3.29Å; S510-L516 PolarHBondContact O-N 3.45Å; S510-L516 PolarHBondContact OG-O 3.44Å; L514-L516 HydrophobicContact CB-CB 4.25Å; L514-L516 HydrophobicContact CB-CD1 3.95Å; L514-L516 HydrophobicContact CB-CG 3.83Å; L514-L516 HydrophobicContact CD1-CD1 3.83Å; L514-L516 PolarHBondContact O-N 3.01Å; L516-T520 HydrophobicContact CD1-CG2 4.21Å; L516-T520 HydrophobicContact CD2-CG2 4.5Å | ||
| 517 | S | 89.7 | Confident | 92 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 47% | 0.469 | 32% | 0.317 | S | S | . | . | trans | -67.9 | 152.5 | 168.3 | 95.3 | 0 | 0 | 0 | 0 | 110.9 | G519 T520 M521 | S517-G519 VanDerWaalsContact C-N 3.28Å; S517-G519 PolarHBondContact O-N 2.9Å; S517-G519 PolarHBondContact OG-N 2.91Å; S517-T520 PolarHBondContact O-N 2.89Å; S517-T520 PolarHBondContact OG-N 2.65Å; S517-T520 VanDerWaalsContact OG-N 3.1Å; S517-T520 PolarHBondContact OG-OG1 3.3Å; S517-M521 WeakPolarHBondContact O-CB 3.31Å; S517-M521 PolarHBondContact O-N 3.36Å | ||
| 518 | Q | 88.7 | Confident | 92.1 | Very high | 92 Ų | 92 | 55.7 Ų | 55.7 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -32.8 | 177.9 | 175.7 | -84.4 | -34.9 | 0 | 0 | 112.3 | Q506 R507 S510 M521 S522 | Q506-Q518 HydrophobicContact CB-CG 4.41Å; R507-Q518 HydrophobicContact CB-CB 4.18Å; R507-Q518 HydrophobicContact CB-CG 4.05Å; R507-Q518 HydrophobicContact CG-CB 4.32Å; S510-Q518 PolarHBondContact OG-N 3.18Å; Q518-M521 PolarHBondContact O-N 2.97Å; Q518-S522 VanDerWaalsContact O-CB 3.29Å; Q518-S522 WeakPolarHBondContact O-CB 3.3Å; Q518-S522 PolarHBondContact O-N 3.39Å |
| 519 | G | 92.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S517 M521 S522 E523 | S517-G519 VanDerWaalsContact C-N 3.28Å; S517-G519 PolarHBondContact O-N 2.9Å; S517-G519 PolarHBondContact OG-N 2.91Å; G519-M521 VanDerWaalsContact C-N 3.31Å; G519-M521 PolarHBondContact O-N 3.34Å; G519-S522 PolarHBondContact O-N 2.89Å; G519-S522 VanDerWaalsContact O-N 3.14Å; G519-E523 PolarHBondContact O-N 3.24Å |
| 520 | T | 92.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 40% | 0.399 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 176.2 | -43.4 | 0 | 0 | 0 | 0 | 111.7 | L516 S517 L524 | L516-T520 HydrophobicContact CD1-CG2 4.21Å; L516-T520 HydrophobicContact CD2-CG2 4.5Å; S517-T520 PolarHBondContact O-N 2.89Å; S517-T520 PolarHBondContact OG-N 2.65Å; S517-T520 VanDerWaalsContact OG-N 3.1Å; S517-T520 PolarHBondContact OG-OG1 3.3Å; T520-L524 VanDerWaalsContact O-CB 3.29Å; T520-L524 WeakPolarHBondContact O-CB 3.27Å; T520-L524 PolarHBondContact O-N 3.48Å |
| 521 | M | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 173.9 | -175.4 | 77.6 | -152 | 0 | 0 | 112.2 | V495 Q506 F509 L514 S517 Q518 G519 L524 L525 L545 | V495-M521 HydrophobicContact CG1-CE 4.12Å; Q506-M521 HydrophobicContact CB-CG 4.47Å; F509-M521 HydrophobicContact CD1-CE 3.32Å; F509-M521 HydrophobicContact CD1-SD 3.58Å; F509-M521 VanDerWaalsContact CD1-SD 3.58Å; F509-M521 HydrophobicContact CE1-CE 3.34Å; F509-M521 HydrophobicContact CE1-SD 3.86Å; F509-M521 HydrophobicContact CG-CE 4.36Å; F509-M521 HydrophobicContact CZ-CE 4.35Å; L514-M521 HydrophobicContact CD1-CE 4.3Å; L514-M521 HydrophobicContact CD1-SD 3.62Å; L514-M521 HydrophobicContact CG-SD 4.29Å; S517-M521 WeakPolarHBondContact O-CB 3.31Å; S517-M521 PolarHBondContact O-N 3.36Å; Q518-M521 PolarHBondContact O-N 2.97Å; G519-M521 VanDerWaalsContact C-N 3.31Å; G519-M521 PolarHBondContact O-N 3.34Å; M521-L524 PolarHBondContact O-N 3.16Å; M521-L525 HydrophobicContact CE-CD1 3.51Å; M521-L525 HydrophobicContact CE-CD2 4Å; M521-L525 HydrophobicContact CE-CG 3.73Å; M521-L525 WeakPolarHBondContact O-CG 3.31Å; M521-L525 PolarHBondContact O-N 3.05Å; M521-L545 HydrophobicContact CE-CD2 4.07Å |
| 522 | S | 94.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 65 Ų | 65 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | -179.4 | -169 | 0 | 0 | 0 | 0 | 111.3 | Q518 G519 S526 | Q518-S522 VanDerWaalsContact O-CB 3.29Å; Q518-S522 WeakPolarHBondContact O-CB 3.3Å; Q518-S522 PolarHBondContact O-N 3.39Å; G519-S522 PolarHBondContact O-N 2.89Å; G519-S522 VanDerWaalsContact O-N 3.14Å; S522-S526 VanDerWaalsContact O-CB 3.25Å; S522-S526 WeakPolarHBondContact O-CB 3.39Å; S522-S526 PolarHBondContact O-N 2.93Å; S522-S526 PolarHBondContact O-OG 3.26Å |
| 523 | E | 93.7 | Very high | 92.5 | Very high | 118 Ų | 118 | 71.4 Ų | 71.4 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 173 | -172.2 | 172.3 | -163.8 | 0 | 0 | 111.8 | G519 L525 S526 K527 | G519-E523 PolarHBondContact O-N 3.24Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 3.02Å; E523-S526 PolarHBondContact O-N 3.1Å; E523-K527 PolarHBondContact O-N 3.02Å |
| 524 | L | 94.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.5 | -40.9 | 177.5 | -168.2 | 73.4 | 0 | 0 | 0 | 112.7 | L514 T520 M521 Y542 L545 | L514-L524 HydrophobicContact CD1-CD2 3.71Å; T520-L524 VanDerWaalsContact O-CB 3.29Å; T520-L524 WeakPolarHBondContact O-CB 3.27Å; T520-L524 PolarHBondContact O-N 3.48Å; M521-L524 PolarHBondContact O-N 3.16Å; L524-Y542 HydrophobicContact CD1-CD2 4.29Å; L524-Y542 HydrophobicContact CD1-CE2 3.44Å; L524-Y542 VanDerWaalsContact CD1-CE2 3.44Å; L524-Y542 HydrophobicContact CG-CE2 4.19Å; L524-Y542 PolarHBondContact O-OH 2.81Å; L524-Y542 VanDerWaalsContact O-OH 3.1Å; L524-L545 HydrophobicContact CD2-CD1 4.08Å |
| 525 | L | 94.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -84.1 | -30.4 | -180 | -66.7 | -178.3 | 0 | 0 | 0 | 114.6 | A492 V495 R496 L499 M521 E523 L545 | A492-L525 HydrophobicContact CB-CD2 4.23Å; V495-L525 HydrophobicContact CB-CD2 3.88Å; V495-L525 HydrophobicContact CG1-CD1 4.04Å; V495-L525 HydrophobicContact CG1-CD2 3.75Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 4Å; R496-L525 HydrophobicContact CG-CG 4.42Å; R496-L525 PolarHBondContact NE-O 3.44Å; L499-L525 HydrophobicContact CD1-CD1 3.98Å; M521-L525 HydrophobicContact CE-CD1 3.51Å; M521-L525 HydrophobicContact CE-CD2 4Å; M521-L525 HydrophobicContact CE-CG 3.73Å; M521-L525 WeakPolarHBondContact O-CG 3.31Å; M521-L525 PolarHBondContact O-N 3.05Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 3.02Å; L525-L545 HydrophobicContact CD2-CD1 4.27Å |
| 526 | S | 93.3 | Very high | 92.6 | Very high | 74 Ų | 74 | 70.9 Ų | 70.9 | 52% | 0.517 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -89.1 | -26 | -177.3 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | S522 E523 P528 | S522-S526 VanDerWaalsContact O-CB 3.25Å; S522-S526 WeakPolarHBondContact O-CB 3.39Å; S522-S526 PolarHBondContact O-N 2.93Å; S522-S526 PolarHBondContact O-OG 3.26Å; E523-S526 PolarHBondContact O-N 3.1Å; S526-P528 VanDerWaalsContact C-CD 3.49Å |
| 527 | K | 92.7 | Very high | 92.4 | Very high | 158 Ų | 158 | 78.3 Ų | 78.3 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -135.3 | 60.8 | 179.3 | -61.4 | -172.6 | -179.5 | -175 | 0 | 110.8 | E523 R529 | E523-K527 PolarHBondContact O-N 3.02Å; K527-R529 PolarHBondContact O-N 3.39Å |
| 528 | P | 94.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 75.7 Ų | 75.7 | 14% | 0.143 | 38% | 0.375 | C | S | . | . | trans | -55.8 | 139 | 174.5 | 25 | -34.9 | 0 | 0 | 0 | 111.1 | F489 A492 S526 Y542 | F489-P528 HydrophobicContact CD1-CB 4.21Å; F489-P528 HydrophobicContact CD1-CG 3.57Å; F489-P528 HydrophobicContact CE1-CB 4.43Å; F489-P528 HydrophobicContact CE1-CG 3.95Å; F489-P528 WeakPolarHBondContact CE1-O 3.38Å; F489-P528 HydrophobicContact CG-CG 4.29Å; A492-P528 HydrophobicContact CB-CB 3.86Å; A492-P528 HydrophobicContact CB-CG 3.91Å; S526-P528 VanDerWaalsContact C-CD 3.49Å; P528-Y542 VanDerWaalsContact CA-OH 3.31Å; P528-Y542 WeakPolarHBondContact CA-OH 3.44Å; P528-Y542 VanDerWaalsContact CB-OH 3.31Å; P528-Y542 WeakPolarHBondContact CB-OH 3.44Å | ||
| 529 | R | 93.5 | Very high | 92.8 | Very high | 156 Ų | 156 | 75.1 Ų | 75.1 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | trans | -104.8 | 139.3 | 174.6 | -67.8 | 176.5 | 177.3 | -104.5 | -3.4 | 108.2 | T488 K527 L534 | T488-R529 WeakPolarHBondContact CB-O 3.2Å; T488-R529 WeakPolarHBondContact CG2-O 3.35Å; T488-R529 PolarHBondContact OG1-O 3.02Å; T488-R529 VanDerWaalsContact OG1-O 3.05Å; K527-R529 PolarHBondContact O-N 3.39Å; R529-L534 HydrophobicContact CB-CD2 3.9Å | ||
| 530 | P | 93.5 | Very high | 92.9 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | trans | -58.9 | 150 | 179.9 | 25.5 | -34.1 | 0 | 0 | 0 | 111.4 | T488 F489 Y532 R533 L534 | T488-P530 WeakPolarHBondContact OG1-CA 3.44Å; F489-P530 HydrophobicContact CE2-CB 4.06Å; P530-Y532 VanDerWaalsContact C-N 3.27Å; P530-Y532 HydrophobicContact CB-CD1 4Å; P530-Y532 HydrophobicContact CB-CE1 3.56Å; P530-Y532 HydrophobicContact CG-CD1 4.5Å; P530-Y532 HydrophobicContact CG-CE1 3.9Å; P530-Y532 HydrophobicContact CG-CE2 4.45Å; P530-Y532 PolarHBondContact O-N 3.26Å; P530-Y532 VanDerWaalsContact O-N 3.1Å; P530-R533 HydrophobicContact CG-CB 4.1Å; P530-R533 HydrophobicContact CG-CG 4.06Å; P530-R533 WeakPolarHBondContact O-CA 3.47Å; P530-R533 PolarHBondContact O-N 2.88Å; P530-L534 PolarHBondContact O-N 3.39Å | ||
| 531 | W | 94.2 | Very high | 93 | Very high | 38 Ų | 38 | 73.2 Ų | 73.2 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -46.7 | -43.6 | -172.3 | -174.1 | -110.7 | 0 | 0 | 0 | 115 | I483 P485 L486 T488 R533 L534 R539 R543 | I483-W531 HydrophobicContact CG2-CZ2 4.33Å; P485-W531 HydrophobicContact CB-CG 4.26Å; L486-W531 HydrophobicContact CB-CD2 4.38Å; L486-W531 HydrophobicContact CB-CE3 3.84Å; L486-W531 HydrophobicContact CB-CH2 4.16Å; L486-W531 HydrophobicContact CB-CZ3 3.74Å; L486-W531 HydrophobicContact CD1-CH2 3.69Å; L486-W531 HydrophobicContact CD1-CZ3 3.72Å; L486-W531 HydrophobicContact CG-CE3 4.35Å; L486-W531 HydrophobicContact CG-CH2 3.74Å; L486-W531 HydrophobicContact CG-CZ2 4.24Å; L486-W531 HydrophobicContact CG-CZ3 3.82Å; T488-W531 HydrophobicContact CG2-CB 4.32Å; T488-W531 HydrophobicContact CG2-CE3 4.15Å; W531-R533 VanDerWaalsContact C-N 3.31Å; W531-R533 PolarHBondContact O-N 2.95Å; W531-L534 HydrophobicContact CE3-CD1 4.1Å; W531-L534 WeakPolarHBondContact O-CB 3.44Å; W531-L534 PolarHBondContact O-N 3.42Å; W531-R539 HydrophobicContact CD2-CG 3.98Å; W531-R539 HydrophobicContact CE3-CB 4.33Å; W531-R539 HydrophobicContact CE3-CG 3.82Å; W531-R539 HydrophobicContact CH2-CB 3.73Å; W531-R539 HydrophobicContact CH2-CG 3.94Å; W531-R539 HydrophobicContact CZ2-CB 4.22Å; W531-R539 HydrophobicContact CZ2-CG 4.08Å; W531-R539 HydrophobicContact CZ3-CB 3.77Å; W531-R539 HydrophobicContact CZ3-CG 3.78Å; W531-R539 PolarHBondContact O-NH1 3.29Å; W531-R543 HydrophobicContact CH2-CG 4.02Å |
| 532 | Y | 92.1 | Very high | 93.1 | Very high | 170 Ų | 170 | 73.3 Ų | 73.3 | 67% | 0.667 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -71.7 | -19.4 | 179.7 | 64.2 | -91 | 0 | 0 | 0 | 113.9 | P530 | P530-Y532 VanDerWaalsContact C-N 3.27Å; P530-Y532 HydrophobicContact CB-CD1 4Å; P530-Y532 HydrophobicContact CB-CE1 3.56Å; P530-Y532 HydrophobicContact CG-CD1 4.5Å; P530-Y532 HydrophobicContact CG-CE1 3.9Å; P530-Y532 HydrophobicContact CG-CE2 4.45Å; P530-Y532 PolarHBondContact O-N 3.26Å; P530-Y532 VanDerWaalsContact O-N 3.1Å |
| 533 | R | 92.3 | Very high | 93.1 | Very high | 171 Ų | 171 | 75.6 Ų | 75.6 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -97.3 | 12.1 | 173.1 | -62.6 | -173.5 | 174.4 | 172 | 0.4 | 113.4 | P530 W531 | P530-R533 HydrophobicContact CG-CB 4.1Å; P530-R533 HydrophobicContact CG-CG 4.06Å; P530-R533 WeakPolarHBondContact O-CA 3.47Å; P530-R533 PolarHBondContact O-N 2.88Å; W531-R533 VanDerWaalsContact C-N 3.31Å; W531-R533 PolarHBondContact O-N 2.95Å |
| 534 | L | 90.8 | Very high | 93.2 | Very high | 20 Ų | 20 | 76.2 Ų | 76.2 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -93.5 | 144.2 | 171 | -66 | 176.4 | 0 | 0 | 0 | 111.5 | T488 R529 P530 W531 R539 Y542 | T488-L534 HydrophobicContact CG2-CD1 3.69Å; R529-L534 HydrophobicContact CB-CD2 3.9Å; P530-L534 PolarHBondContact O-N 3.39Å; W531-L534 HydrophobicContact CE3-CD1 4.1Å; W531-L534 WeakPolarHBondContact O-CB 3.44Å; W531-L534 PolarHBondContact O-N 3.42Å; L534-R539 HydrophobicContact CB-CG 3.76Å; L534-R539 HydrophobicContact CD1-CG 4.05Å; L534-R539 PolarHBondContact O-NH1 3.07Å; L534-Y542 HydrophobicContact CD1-CD2 3.38Å; L534-Y542 HydrophobicContact CD1-CE2 3.66Å; L534-Y542 HydrophobicContact CD1-CG 4.29Å; L534-Y542 HydrophobicContact CD2-CD2 4.38Å; L534-Y542 HydrophobicContact CD2-CE2 3.92Å; L534-Y542 HydrophobicContact CG-CE2 4.45Å |
| 535 | T | 92.2 | Very high | 93.2 | Very high | 103 Ų | 103 | 75 Ų | 75 | 63% | 0.632 | 34% | 0.342 | S | S | * | . | trans | -70.1 | 164.4 | 161.7 | 61.5 | 0 | 0 | 0 | 0 | 110 | R537 G538 R539 | T535-R537 VanDerWaalsContact C-N 3.28Å; T535-R537 PolarHBondContact O-N 2.98Å; T535-G538 CarbonylContact O-C 3.51Å; T535-G538 VanDerWaalsContact O-CA 3.29Å; T535-G538 WeakPolarHBondContact O-CA 3.31Å; T535-G538 PolarHBondContact O-N 2.85Å; T535-G538 PolarHBondContact OG1-N 3.05Å; T535-R539 PolarHBondContact O-N 3.11Å | ||
| 536 | A | 89.2 | Confident | 93.2 | Very high | 59 Ų | 59 | 78.5 Ų | 78.5 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -50.7 | -48.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G538 R539 D540 | A536-G538 VanDerWaalsContact C-N 3.25Å; A536-G538 PolarHBondContact O-N 3.02Å; A536-R539 CarbonylContact O-C 3.53Å; A536-R539 WeakPolarHBondContact O-CA 3.33Å; A536-R539 WeakPolarHBondContact O-CB 3.4Å; A536-R539 PolarHBondContact O-N 3.23Å; A536-D540 PolarHBondContact O-N 3.47Å |
| 537 | R | 88.4 | Confident | 93.2 | Very high | 193 Ų | 193 | 78.2 Ų | 78.2 | 73% | 0.728 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.5 | -28.7 | 174.6 | -168.7 | 176.3 | -175.7 | 165.3 | 5.7 | 114.2 | T535 D540 S541 | T535-R537 VanDerWaalsContact C-N 3.28Å; T535-R537 PolarHBondContact O-N 2.98Å; R537-D540 WeakPolarHBondContact CA-OD2 3.32Å; R537-S541 PolarHBondContact O-N 2.74Å; R537-S541 PolarHBondContact O-OG 2.92Å |
| 538 | G | 92.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -51 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | T535 A536 D540 S541 Y542 | T535-G538 CarbonylContact O-C 3.51Å; T535-G538 VanDerWaalsContact O-CA 3.29Å; T535-G538 WeakPolarHBondContact O-CA 3.31Å; T535-G538 PolarHBondContact O-N 2.85Å; T535-G538 PolarHBondContact OG1-N 3.05Å; A536-G538 VanDerWaalsContact C-N 3.25Å; A536-G538 PolarHBondContact O-N 3.02Å; G538-D540 VanDerWaalsContact C-N 3.32Å; G538-D540 PolarHBondContact O-N 3.12Å; G538-S541 VanDerWaalsContact O-CB 3.29Å; G538-S541 WeakPolarHBondContact O-CB 3.49Å; G538-S541 PolarHBondContact O-N 3.3Å; G538-Y542 WeakPolarHBondContact O-CD2 3.34Å; G538-Y542 PolarHBondContact O-N 3.5Å |
| 539 | R | 94.6 | Very high | 93.2 | Very high | 80 Ų | 80 | 72.7 Ų | 72.7 | 30% | 0.302 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 175.9 | -66.9 | -165.6 | -80.6 | -96.5 | 8.7 | 112.2 | W531 L534 T535 A536 S541 Y542 R543 | W531-R539 HydrophobicContact CD2-CG 3.98Å; W531-R539 HydrophobicContact CE3-CB 4.33Å; W531-R539 HydrophobicContact CE3-CG 3.82Å; W531-R539 HydrophobicContact CH2-CB 3.73Å; W531-R539 HydrophobicContact CH2-CG 3.94Å; W531-R539 HydrophobicContact CZ2-CB 4.22Å; W531-R539 HydrophobicContact CZ2-CG 4.08Å; W531-R539 HydrophobicContact CZ3-CB 3.77Å; W531-R539 HydrophobicContact CZ3-CG 3.78Å; W531-R539 PolarHBondContact O-NH1 3.29Å; L534-R539 HydrophobicContact CB-CG 3.76Å; L534-R539 HydrophobicContact CD1-CG 4.05Å; L534-R539 PolarHBondContact O-NH1 3.07Å; T535-R539 PolarHBondContact O-N 3.11Å; A536-R539 CarbonylContact O-C 3.53Å; A536-R539 WeakPolarHBondContact O-CA 3.33Å; A536-R539 WeakPolarHBondContact O-CB 3.4Å; A536-R539 PolarHBondContact O-N 3.23Å; R539-S541 PolarHBondContact O-N 3.4Å; R539-Y542 PolarHBondContact O-N 2.98Å; R539-Y542 VanDerWaalsContact O-N 3.1Å; R539-R543 WeakPolarHBondContact O-CG 3.36Å; R539-R543 PolarHBondContact O-N 2.89Å |
| 540 | D | 93.4 | Very high | 93.2 | Very high | 52 Ų | 52 | 69.4 Ų | 69.4 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.4 | -36.6 | 173.1 | -61.4 | -29.7 | 0 | 0 | 0 | 113.2 | A536 R537 G538 R543 R544 | A536-D540 PolarHBondContact O-N 3.47Å; R537-D540 WeakPolarHBondContact CA-OD2 3.32Å; G538-D540 VanDerWaalsContact C-N 3.32Å; G538-D540 PolarHBondContact O-N 3.12Å; D540-R543 IonicContact OD1-CZ 3.22Å; D540-R543 IonicContact OD1-NE 2.74Å; D540-R543 IonicContact OD1-NH2 3.93Å; D540-R543 PolarHBondContact OD1-NH2 2.99Å; D540-R544 WeakPolarHBondContact O-CB 3.46Å; D540-R544 WeakPolarHBondContact O-CG 3.44Å; D540-R544 PolarHBondContact O-N 2.97Å |
| 541 | S | 94.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.1 | -42 | 178 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | L514 R537 G538 R539 R544 L545 | L514-S541 WeakPolarHBondContact CD2-O 3.45Å; R537-S541 PolarHBondContact O-N 2.74Å; R537-S541 PolarHBondContact O-OG 2.92Å; G538-S541 VanDerWaalsContact O-CB 3.29Å; G538-S541 WeakPolarHBondContact O-CB 3.49Å; G538-S541 PolarHBondContact O-N 3.3Å; R539-S541 PolarHBondContact O-N 3.4Å; S541-R544 PolarHBondContact O-N 2.91Å; S541-L545 WeakPolarHBondContact O-CG 3.5Å; S541-L545 PolarHBondContact O-N 2.71Å |
| 542 | Y | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 74.2 Ų | 74.2 | 0% | 0.004 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -71.7 | -37.7 | 175.2 | -75.8 | -84.6 | 0 | 0 | 0 | 113.5 | T488 I491 A492 L524 P528 L534 G538 R539 R544 L545 Q546 | T488-Y542 HydrophobicContact CG2-CD1 4Å; T488-Y542 HydrophobicContact CG2-CD2 4.12Å; T488-Y542 HydrophobicContact CG2-CE1 4.1Å; T488-Y542 HydrophobicContact CG2-CE2 4.19Å; T488-Y542 HydrophobicContact CG2-CG 4.02Å; T488-Y542 VanDerWaalsContact O-CE1 3.26Å; T488-Y542 WeakPolarHBondContact O-CE1 3.46Å; I491-Y542 HydrophobicContact CB-CD1 4.16Å; I491-Y542 HydrophobicContact CG2-CD1 3.78Å; I491-Y542 HydrophobicContact CG2-CE1 4.43Å; A492-Y542 HydrophobicContact CB-CE1 4.49Å; L524-Y542 HydrophobicContact CD1-CD2 4.29Å; L524-Y542 HydrophobicContact CD1-CE2 3.44Å; L524-Y542 VanDerWaalsContact CD1-CE2 3.44Å; L524-Y542 HydrophobicContact CG-CE2 4.19Å; L524-Y542 PolarHBondContact O-OH 2.81Å; L524-Y542 VanDerWaalsContact O-OH 3.1Å; P528-Y542 VanDerWaalsContact CA-OH 3.31Å; P528-Y542 WeakPolarHBondContact CA-OH 3.44Å; P528-Y542 VanDerWaalsContact CB-OH 3.31Å; P528-Y542 WeakPolarHBondContact CB-OH 3.44Å; L534-Y542 HydrophobicContact CD1-CD2 3.38Å; L534-Y542 HydrophobicContact CD1-CE2 3.66Å; L534-Y542 HydrophobicContact CD1-CG 4.29Å; L534-Y542 HydrophobicContact CD2-CD2 4.38Å; L534-Y542 HydrophobicContact CD2-CE2 3.92Å; L534-Y542 HydrophobicContact CG-CE2 4.45Å; G538-Y542 WeakPolarHBondContact O-CD2 3.34Å; G538-Y542 PolarHBondContact O-N 3.5Å; R539-Y542 PolarHBondContact O-N 2.98Å; R539-Y542 VanDerWaalsContact O-N 3.1Å; Y542-R544 VanDerWaalsContact C-N 3.3Å; Y542-R544 PolarHBondContact O-N 3.45Å; Y542-L545 HydrophobicContact CD1-CD1 4.18Å; Y542-L545 HydrophobicContact CE1-CD1 4.34Å; Y542-L545 WeakPolarHBondContact O-CB 3.5Å; Y542-L545 PolarHBondContact O-N 3.2Å; Y542-L545 VanDerWaalsContact O-N 3.08Å; Y542-Q546 PolarHBondContact O-N 2.9Å |
| 543 | R | 95 | Very high | 92.6 | Very high | 91 Ų | 91 | 70.2 Ų | 70.2 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.8 | -44.1 | 171.6 | -72 | -168.4 | -80.7 | -161.8 | -2.3 | 111.3 | L486 W531 R539 D540 Q546 A547 | L486-R543 HydrophobicContact CD1-CG 4.07Å; W531-R543 HydrophobicContact CH2-CG 4.02Å; R539-R543 WeakPolarHBondContact O-CG 3.36Å; R539-R543 PolarHBondContact O-N 2.89Å; D540-R543 IonicContact OD1-CZ 3.22Å; D540-R543 IonicContact OD1-NE 2.74Å; D540-R543 IonicContact OD1-NH2 3.93Å; D540-R543 PolarHBondContact OD1-NH2 2.99Å; R543-Q546 PolarHBondContact O-N 3.16Å; R543-A547 WeakPolarHBondContact O-CB 3.47Å; R543-A547 PolarHBondContact O-N 3.45Å |
| 544 | R | 94 | Very high | 92.5 | Very high | 130 Ų | 130 | 62.8 Ų | 62.8 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.5 | -26.9 | 175.1 | -71.7 | 173.2 | 178.1 | 159.3 | 1.8 | 113.9 | L514 D540 S541 Y542 W548 | L514-R544 HydrophobicContact CD2-CB 3.42Å; L514-R544 VanDerWaalsContact CD2-CB 3.42Å; D540-R544 WeakPolarHBondContact O-CB 3.46Å; D540-R544 WeakPolarHBondContact O-CG 3.44Å; D540-R544 PolarHBondContact O-N 2.97Å; S541-R544 PolarHBondContact O-N 2.91Å; Y542-R544 VanDerWaalsContact C-N 3.3Å; Y542-R544 PolarHBondContact O-N 3.45Å; R544-W548 WeakPolarHBondContact O-CB 3.49Å; R544-W548 PolarHBondContact O-N 3.11Å |
| 545 | L | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.9 | -51.5 | 169.8 | -72.7 | -177.1 | 0 | 0 | 0 | 110.9 | I491 V495 F509 L514 M521 L524 L525 S541 Y542 W548 I549 | I491-L545 HydrophobicContact CG2-CB 3.44Å; I491-L545 VanDerWaalsContact CG2-CB 3.44Å; I491-L545 HydrophobicContact CG2-CD1 3.88Å; I491-L545 HydrophobicContact CG2-CG 4.31Å; V495-L545 HydrophobicContact CG1-CD2 4.14Å; V495-L545 HydrophobicContact CG2-CB 4.21Å; V495-L545 HydrophobicContact CG2-CD1 4.39Å; V495-L545 HydrophobicContact CG2-CD2 3.95Å; V495-L545 HydrophobicContact CG2-CG 4.41Å; F509-L545 HydrophobicContact CE1-CD2 3.47Å; F509-L545 VanDerWaalsContact CE1-CD2 3.47Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; L514-L545 HydrophobicContact CD1-CD2 3.81Å; L514-L545 HydrophobicContact CD1-CG 4.1Å; L514-L545 HydrophobicContact CD2-CD2 3.98Å; L514-L545 HydrophobicContact CD2-CG 4.17Å; L514-L545 HydrophobicContact CG-CD2 4.07Å; M521-L545 HydrophobicContact CE-CD2 4.07Å; L524-L545 HydrophobicContact CD2-CD1 4.08Å; L525-L545 HydrophobicContact CD2-CD1 4.27Å; S541-L545 WeakPolarHBondContact O-CG 3.5Å; S541-L545 PolarHBondContact O-N 2.71Å; Y542-L545 HydrophobicContact CD1-CD1 4.18Å; Y542-L545 HydrophobicContact CE1-CD1 4.34Å; Y542-L545 WeakPolarHBondContact O-CB 3.5Å; Y542-L545 PolarHBondContact O-N 3.2Å; Y542-L545 VanDerWaalsContact O-N 3.08Å; L545-W548 PolarHBondContact O-N 3.44Å; L545-W548 VanDerWaalsContact O-N 3.13Å; L545-I549 WeakPolarHBondContact O-CG1 3.21Å; L545-I549 PolarHBondContact O-N 2.85Å |
| 546 | Q | 94.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.7 | -51.6 | 179.2 | -170.8 | -165.5 | 19 | 0 | 0 | 111.3 | L486 I491 Y542 R543 W548 I549 S550 | L486-Q546 HydrophobicContact CD1-CB 4.38Å; L486-Q546 VanDerWaalsContact CD2-OE1 3.25Å; I491-Q546 HydrophobicContact CD1-CB 4.08Å; I491-Q546 HydrophobicContact CD1-CG 4.43Å; Y542-Q546 PolarHBondContact O-N 2.9Å; R543-Q546 PolarHBondContact O-N 3.16Å; Q546-W548 PolarHBondContact O-N 3.5Å; Q546-W548 VanDerWaalsContact O-N 3.15Å; Q546-I549 WeakPolarHBondContact O-CA 3.47Å; Q546-I549 WeakPolarHBondContact O-CB 3.31Å; Q546-I549 PolarHBondContact O-N 3.31Å; Q546-S550 PolarHBondContact O-N 2.92Å; Q546-S550 PolarHBondContact O-OG 3.14Å |
| 547 | A | 93.3 | Very high | 92 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 56% | 0.562 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.7 | -29 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | R543 | R543-A547 WeakPolarHBondContact O-CB 3.47Å; R543-A547 PolarHBondContact O-N 3.45Å |
| 548 | W | 93.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 8% | 0.08 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79 | -34.7 | 172.2 | -179.8 | 83.8 | 0 | 0 | 0 | 112.8 | L498 F509 I513 R544 L545 Q546 S550 N554 V555 | L498-W548 HydrophobicContact CB-CH2 4.05Å; L498-W548 HydrophobicContact CB-CZ3 4.06Å; L498-W548 HydrophobicContact CD1-CH2 4.3Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; F509-W548 HydrophobicContact CD2-CH2 4.27Å; F509-W548 HydrophobicContact CD2-CZ2 4.14Å; F509-W548 AromaticContact CE2-CD2 3.5Å; F509-W548 HydrophobicContact CE2-CD2 3.5Å; F509-W548 VanDerWaalsContact CE2-CD2 3.5Å; F509-W548 AromaticContact CE2-CE2 3.59Å; F509-W548 AromaticContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CG 4.21Å; F509-W548 AromaticContact CE2-CH2 3.74Å; F509-W548 HydrophobicContact CE2-CH2 3.74Å; F509-W548 AromaticContact CE2-CZ2 3.73Å; F509-W548 HydrophobicContact CE2-CZ2 3.73Å; F509-W548 AromaticContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CZ-CD2 4.02Å; F509-W548 AromaticContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CG 4.43Å; F509-W548 HydrophobicContact CZ-CZ3 4.36Å; I513-W548 HydrophobicContact CD1-CD2 4.24Å; I513-W548 HydrophobicContact CD1-CG 4.09Å; I513-W548 HydrophobicContact CD1-CZ2 4.43Å; I513-W548 HydrophobicContact CG2-CB 4.17Å; I513-W548 HydrophobicContact CG2-CG 4.19Å; R544-W548 WeakPolarHBondContact O-CB 3.49Å; R544-W548 PolarHBondContact O-N 3.11Å; L545-W548 PolarHBondContact O-N 3.44Å; L545-W548 VanDerWaalsContact O-N 3.13Å; Q546-W548 PolarHBondContact O-N 3.5Å; Q546-W548 VanDerWaalsContact O-N 3.15Å; W548-S550 VanDerWaalsContact C-N 3.33Å; W548-N554 HydrophobicContact CD2-CB 3.99Å; W548-N554 HydrophobicContact CG-CB 4.14Å; W548-N554 HydrophobicContact CZ2-CB 4.06Å; W548-N554 PolarHBondContact NE1-O 2.83Å; W548-N554 VanDerWaalsContact NE1-O 3.15Å; W548-N554 WeakPolarHBondContact O-CB 3.35Å; W548-N554 PolarHBondContact O-ND2 3.19Å; W548-V555 HydrophobicContact CZ2-CG2 4.45Å |
| 549 | I | 94.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 172.9 | -63.7 | 163.1 | 0 | 0 | 0 | 110.3 | I491 T494 V495 L498 L545 Q546 D551 N554 | I491-I549 HydrophobicContact CB-CD1 4.43Å; I491-I549 HydrophobicContact CG1-CD1 4.45Å; I491-I549 HydrophobicContact CG2-CD1 4.02Å; T494-I549 HydrophobicContact CG2-CD1 4.2Å; T494-I549 HydrophobicContact CG2-CG1 4.34Å; T494-I549 HydrophobicContact CG2-CG2 3.78Å; V495-I549 HydrophobicContact CG2-CD1 3.74Å; V495-I549 HydrophobicContact CG2-CG1 3.82Å; L498-I549 HydrophobicContact CD1-CG1 4.3Å; L498-I549 HydrophobicContact CD1-CG2 4.34Å; L545-I549 WeakPolarHBondContact O-CG1 3.21Å; L545-I549 PolarHBondContact O-N 2.85Å; Q546-I549 WeakPolarHBondContact O-CA 3.47Å; Q546-I549 WeakPolarHBondContact O-CB 3.31Å; Q546-I549 PolarHBondContact O-N 3.31Å; I549-D551 VanDerWaalsContact C-N 3.34Å; I549-D551 PolarHBondContact O-N 2.95Å; I549-N554 PolarHBondContact O-ND2 3.06Å |
| 550 | S | 92.1 | Very high | 90.7 | Very high | 88 Ų | 88 | 56.2 Ų | 56.2 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -70.4 | -20 | -176.1 | -58.3 | 0 | 0 | 0 | 0 | 115.1 | Q546 W548 P552 | Q546-S550 PolarHBondContact O-N 2.92Å; Q546-S550 PolarHBondContact O-OG 3.14Å; W548-S550 VanDerWaalsContact C-N 3.33Å; S550-P552 WeakPolarHBondContact O-CD 3.18Å |
| 551 | D | 91.4 | Very high | 89.8 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | trans | -78.9 | 115.8 | 175.3 | 167.9 | 26.2 | 0 | 0 | 0 | 110.8 | I549 N553 N554 | I549-D551 VanDerWaalsContact C-N 3.34Å; I549-D551 PolarHBondContact O-N 2.95Å; D551-N553 PolarHBondContact O-N 2.91Å; D551-N553 VanDerWaalsContact O-N 3.14Å; D551-N553 WeakPolarHBondContact OD1-CA 3.35Å; D551-N553 WeakPolarHBondContact OD1-CB 3.31Å; D551-N553 PolarHBondContact OD1-N 3.39Å; D551-N554 HydrophobicContact CB-CB 4.1Å; D551-N554 WeakPolarHBondContact O-CB 3.39Å; D551-N554 PolarHBondContact O-N 3.47Å; D551-N554 VanDerWaalsContact O-N 3.1Å; D551-N554 PolarHBondContact O-ND2 3.1Å; D551-N554 VanDerWaalsContact OD2-CA 3.3Å; D551-N554 WeakPolarHBondContact OD2-CA 3.41Å; D551-N554 PolarHBondContact OD2-N 2.93Å; D551-N554 VanDerWaalsContact OD2-N 3.09Å | ||
| 552 | P | 89.2 | Confident | 88.5 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 75% | 0.747 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.2 | 177.3 | 28 | -35.2 | 0 | 0 | 0 | 113.7 | S550 | S550-P552 WeakPolarHBondContact O-CD 3.18Š|
| 553 | N | 88.7 | Confident | 86.8 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 4.5 | 176.3 | -65.9 | -74.8 | 0 | 0 | 0 | 113.5 | D551 V555 N556 S557 | D551-N553 PolarHBondContact O-N 2.91Å; D551-N553 VanDerWaalsContact O-N 3.14Å; D551-N553 WeakPolarHBondContact OD1-CA 3.35Å; D551-N553 WeakPolarHBondContact OD1-CB 3.31Å; D551-N553 PolarHBondContact OD1-N 3.39Å; N553-V555 VanDerWaalsContact C-N 3.28Å; N553-V555 PolarHBondContact O-N 3.38Å; N553-V555 VanDerWaalsContact O-N 3.09Å; N553-N556 WeakPolarHBondContact O-CA 3.41Å; N553-N556 WeakPolarHBondContact O-CB 3.43Å; N553-N556 PolarHBondContact O-N 2.74Å; N553-S557 PolarHBondContact O-N 3.24Å; N553-S557 PolarHBondContact O-OG 3.09Å |
| 554 | N | 89.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 8% | 0.075 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -50.2 | -39.9 | -170.5 | 58.9 | 11.8 | 0 | 0 | 0 | 115.3 | W548 I549 D551 L558 | W548-N554 HydrophobicContact CD2-CB 3.99Å; W548-N554 HydrophobicContact CG-CB 4.14Å; W548-N554 HydrophobicContact CZ2-CB 4.06Å; W548-N554 PolarHBondContact NE1-O 2.83Å; W548-N554 VanDerWaalsContact NE1-O 3.15Å; W548-N554 WeakPolarHBondContact O-CB 3.35Å; W548-N554 PolarHBondContact O-ND2 3.19Å; I549-N554 PolarHBondContact O-ND2 3.06Å; D551-N554 HydrophobicContact CB-CB 4.1Å; D551-N554 WeakPolarHBondContact O-CB 3.39Å; D551-N554 PolarHBondContact O-N 3.47Å; D551-N554 VanDerWaalsContact O-N 3.1Å; D551-N554 PolarHBondContact O-ND2 3.1Å; D551-N554 VanDerWaalsContact OD2-CA 3.3Å; D551-N554 WeakPolarHBondContact OD2-CA 3.41Å; D551-N554 PolarHBondContact OD2-N 2.93Å; D551-N554 VanDerWaalsContact OD2-N 3.09Å; N554-L558 WeakPolarHBondContact O-CB 3.37Å; N554-L558 PolarHBondContact O-N 3.29Å |
| 555 | V | 89.2 | Confident | 82.8 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -75.1 | -39.4 | 176.7 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | H502 I504 W548 N553 L558 K559 | H502-V555 HydrophobicContact CB-CG1 4.04Å; H502-V555 HydrophobicContact CB-CG2 4.12Å; H502-V555 VanDerWaalsContact CD2-CG2 3.43Å; H502-V555 WeakPolarHBondContact CD2-CG2 3.29Å; I504-V555 HydrophobicContact CD1-CG1 4.32Å; I504-V555 HydrophobicContact CD1-CG2 3.95Å; W548-V555 HydrophobicContact CZ2-CG2 4.45Å; N553-V555 VanDerWaalsContact C-N 3.28Å; N553-V555 PolarHBondContact O-N 3.38Å; N553-V555 VanDerWaalsContact O-N 3.09Å; V555-L558 PolarHBondContact O-N 3.43Å; V555-K559 HydrophobicContact CG1-CD 3.94Å; V555-K559 WeakPolarHBondContact O-CB 3.29Å; V555-K559 VanDerWaalsContact O-CG 3.3Å; V555-K559 WeakPolarHBondContact O-CG 3.4Å; V555-K559 PolarHBondContact O-N 3.44Å |
| 556 | N | 86.8 | Confident | 80.4 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.7 | -45.4 | -179.4 | -67.4 | -22.6 | 0 | 0 | 0 | 110.7 | N553 L558 K559 N560 | N553-N556 WeakPolarHBondContact O-CA 3.41Å; N553-N556 WeakPolarHBondContact O-CB 3.43Å; N553-N556 PolarHBondContact O-N 2.74Å; N556-L558 VanDerWaalsContact C-N 3.3Å; N556-L558 PolarHBondContact O-N 2.98Å; N556-K559 PolarHBondContact O-N 3.28Å; N556-N560 WeakPolarHBondContact O-CB 3.45Å; N556-N560 VanDerWaalsContact O-CG 3.26Å; N556-N560 PolarHBondContact O-N 3.23Å; N556-N560 PolarHBondContact O-ND2 2.83Å |
| 557 | S | 84.8 | Confident | 77.9 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -53 | -46.5 | 171 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | N553 T561 | N553-S557 PolarHBondContact O-N 3.24Å; N553-S557 PolarHBondContact O-OG 3.09Å; S557-T561 PolarHBondContact O-N 3.14Å; S557-T561 VanDerWaalsContact O-N 3.09Å; S557-T561 PolarHBondContact O-OG1 3.18Å |
| 558 | L | 86.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.6 | -33 | -179.8 | -171.9 | 61.5 | 0 | 0 | 0 | 113.8 | I504 Q508 F509 H512 I513 N554 V555 N556 | I504-L558 HydrophobicContact CD1-CD2 4.21Å; I504-L558 HydrophobicContact CG2-CD2 3.48Å; I504-L558 VanDerWaalsContact CG2-CD2 3.48Å; Q508-L558 HydrophobicContact CG-CD1 4.13Å; Q508-L558 HydrophobicContact CG-CD2 4.48Å; Q508-L558 HydrophobicContact CG-CG 4.32Å; Q508-L558 PolarHBondContact NE2-O 2.95Å; F509-L558 HydrophobicContact CD2-CD2 4.23Å; H512-L558 HydrophobicContact CB-CD1 3.56Å; I513-L558 HydrophobicContact CD1-CD1 3.96Å; I513-L558 HydrophobicContact CD1-CD2 3.83Å; I513-L558 HydrophobicContact CD1-CG 4.34Å; I513-L558 HydrophobicContact CG1-CD1 4.43Å; N554-L558 WeakPolarHBondContact O-CB 3.37Å; N554-L558 PolarHBondContact O-N 3.29Å; V555-L558 PolarHBondContact O-N 3.43Å; N556-L558 VanDerWaalsContact C-N 3.3Å; N556-L558 PolarHBondContact O-N 2.98Å |
| 559 | K | 83.2 | Confident | 73.3 | Confident | 83 Ų | 83 | 81 Ų | 81 | 36% | 0.361 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.2 | -45.2 | 173.1 | -76.5 | 170.8 | 178 | 174.2 | 0 | 111.6 | V555 N556 T561 Q562 | V555-K559 HydrophobicContact CG1-CD 3.94Å; V555-K559 WeakPolarHBondContact O-CB 3.29Å; V555-K559 VanDerWaalsContact O-CG 3.3Å; V555-K559 WeakPolarHBondContact O-CG 3.4Å; V555-K559 PolarHBondContact O-N 3.44Å; N556-K559 PolarHBondContact O-N 3.28Å; K559-T561 VanDerWaalsContact C-N 3.26Å; K559-T561 PolarHBondContact O-N 3.46Å; K559-Q562 VanDerWaalsContact O-CB 3.27Å; K559-Q562 WeakPolarHBondContact O-CB 3.47Å; K559-Q562 PolarHBondContact O-N 2.96Å |
| 560 | N | 80.3 | Confident | 70.7 | Confident | 95 Ų | 95 | 85 Ų | 85 | 51% | 0.508 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 177.1 | -69.9 | -14.6 | 0 | 0 | 0 | 111.7 | N556 Q562 R563 R564 | N556-N560 WeakPolarHBondContact O-CB 3.45Å; N556-N560 VanDerWaalsContact O-CG 3.26Å; N556-N560 PolarHBondContact O-N 3.23Å; N556-N560 PolarHBondContact O-ND2 2.83Å; N560-Q562 PolarHBondContact O-N 2.84Å; N560-R563 PolarHBondContact O-N 3.36Å; N560-R563 VanDerWaalsContact O-N 3.15Å; N560-R564 PolarHBondContact O-N 2.95Å |
| 561 | T | 74.5 | Confident | 68.1 | Low | 61 Ų | 61 | 83 Ų | 83 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.5 | -7.7 | 175 | -39.9 | 0 | 0 | 0 | 0 | 113.7 | H512 S557 K559 | H512-T561 WeakPolarHBondContact CE1-CG2 3.42Å; H512-T561 PolarHBondContact CE1-O 3.4Å; H512-T561 VanDerWaalsContact ND1-CG2 3.31Å; H512-T561 WeakPolarHBondContact ND1-CG2 3.41Å; S557-T561 PolarHBondContact O-N 3.14Å; S557-T561 VanDerWaalsContact O-N 3.09Å; S557-T561 PolarHBondContact O-OG1 3.18Å; K559-T561 VanDerWaalsContact C-N 3.26Å; K559-T561 PolarHBondContact O-N 3.46Å |
| 562 | Q | 66.6 | Low | 65.7 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 41% | 0.407 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.1 | -55.1 | 162.8 | -62 | 175.1 | -42.4 | 0 | 0 | 110.8 | Q508 K559 N560 R564 R565 | Q508-Q562 VanDerWaalsContact CD-NE2 3.34Å; Q508-Q562 VanDerWaalsContact NE2-CG 3.27Å; Q508-Q562 VanDerWaalsContact NE2-NE2 3.13Å; K559-Q562 VanDerWaalsContact O-CB 3.27Å; K559-Q562 WeakPolarHBondContact O-CB 3.47Å; K559-Q562 PolarHBondContact O-N 2.96Å; N560-Q562 PolarHBondContact O-N 2.84Å; Q562-R564 VanDerWaalsContact C-N 3.34Å; Q562-R564 PolarHBondContact O-N 3.32Å; Q562-R565 PolarHBondContact O-N 3.15Å |
| 563 | R | 60.2 | Low | 62.9 | Low | 173 Ų | 173 | 82.7 Ų | 82.7 | 65% | 0.653 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.6 | -46 | -172.2 | -66 | -172.9 | 176.2 | -162.7 | -1 | 112.4 | N560 R565 N566 E567 | N560-R563 PolarHBondContact O-N 3.36Å; N560-R563 VanDerWaalsContact O-N 3.15Å; R563-R565 PolarHBondContact O-N 2.95Å; R563-N566 WeakPolarHBondContact O-CB 3.25Å; R563-N566 PolarHBondContact O-N 2.96Å; R563-E567 PolarHBondContact O-N 3.36Å |
| 564 | R | 50.9 | Low | 60.3 | Low | 170 Ų | 170 | 84 Ų | 84 | 64% | 0.642 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -55 | -23.3 | 176.3 | -68.3 | -64.2 | -116.3 | 174.1 | -0.3 | 114.7 | N560 Q562 E567 T568 | N560-R564 PolarHBondContact O-N 2.95Å; Q562-R564 VanDerWaalsContact C-N 3.34Å; Q562-R564 PolarHBondContact O-N 3.32Å; R564-E567 WeakPolarHBondContact CD-OE2 3.2Å; R564-E567 IonicContact NH1-OE2 3.19Å; R564-E567 PolarHBondContact NH1-OE2 3.45Å; R564-T568 WeakPolarHBondContact O-CB 3.4Å; R564-T568 WeakPolarHBondContact O-CG2 3.46Å; R564-T568 PolarHBondContact O-N 2.82Å; R564-T568 VanDerWaalsContact O-N 3.14Å; R564-T568 PolarHBondContact O-OG1 3.39Å |
| 565 | R | 53.5 | Low | 57.9 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -92.3 | -8.2 | 176.4 | -151.3 | -176 | -76.6 | 113 | -1.8 | 114 | H512 Q562 R563 T568 N569 | H512-R565 PolarHBondContact CE1-NH1 2.95Å; H512-R565 PolarHBondContact CE1-NH2 3.1Å; H512-R565 PolarHBondContact NE2-NH1 2.93Å; Q562-R565 PolarHBondContact O-N 3.15Å; R563-R565 PolarHBondContact O-N 2.95Å; R565-T568 WeakPolarHBondContact CA-OG1 3.42Å; R565-N569 PolarHBondContact O-ND2 2.81Å |
| 566 | N | 46 | Very low | 55.4 | Low | 114 Ų | 114 | 95 Ų | 95 | 61% | 0.61 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -78.3 | -51.6 | 163.2 | -65.3 | 0.4 | 0 | 0 | 0 | 108.4 | R563 T568 N569 Q570 | R563-N566 WeakPolarHBondContact O-CB 3.25Å; R563-N566 PolarHBondContact O-N 2.96Å; N566-T568 PolarHBondContact O-N 3.29Å; N566-N569 PolarHBondContact O-N 3.19Å; N566-N569 VanDerWaalsContact O-N 3.07Å; N566-Q570 PolarHBondContact O-N 3.24Å |
| 567 | E | 42.3 | Very low | 52.9 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -49.4 | -53.8 | 175.1 | -66.1 | 154.9 | -140.5 | 0 | 0 | 112.3 | R563 R564 N569 Q570 S571 | R563-E567 PolarHBondContact O-N 3.36Å; R564-E567 WeakPolarHBondContact CD-OE2 3.2Å; R564-E567 IonicContact NH1-OE2 3.19Å; R564-E567 PolarHBondContact NH1-OE2 3.45Å; E567-N569 PolarHBondContact O-N 3.25Å; E567-Q570 PolarHBondContact O-N 3.21Å; E567-S571 PolarHBondContact O-N 3.47Å; E567-S571 PolarHBondContact O-OG 2.83Å |
| 568 | T | 48.2 | Very low | 50.5 | Low | 83 Ų | 83 | 98.7 Ų | 98.7 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.9 | -3.4 | -178 | 48.4 | 0 | 0 | 0 | 0 | 115.7 | R564 R565 N566 A572 | R564-T568 WeakPolarHBondContact O-CB 3.4Å; R564-T568 WeakPolarHBondContact O-CG2 3.46Å; R564-T568 PolarHBondContact O-N 2.82Å; R564-T568 VanDerWaalsContact O-N 3.14Å; R564-T568 PolarHBondContact O-OG1 3.39Å; R565-T568 WeakPolarHBondContact CA-OG1 3.42Å; N566-T568 PolarHBondContact O-N 3.29Å; T568-A572 WeakPolarHBondContact O-CB 3.47Å |
| 569 | N | 41.3 | Very low | 48 | Very low | 107 Ų | 107 | 106.1 Ų | 106.1 | 57% | 0.572 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -99.7 | -12.1 | 165.4 | -75.5 | -75.4 | 0 | 0 | 0 | 112.7 | R565 N566 E567 | R565-N569 PolarHBondContact O-ND2 2.81Å; N566-N569 PolarHBondContact O-N 3.19Å; N566-N569 VanDerWaalsContact O-N 3.07Å; E567-N569 PolarHBondContact O-N 3.25Å |
| 570 | Q | 40 | Very low | 45.6 | Very low | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -89.3 | -48.8 | 172.6 | -70.5 | 175.6 | -68.3 | 0 | 0 | 110.5 | N566 E567 A572 C573 E574 | N566-Q570 PolarHBondContact O-N 3.24Å; E567-Q570 PolarHBondContact O-N 3.21Å; Q570-A572 PolarHBondContact O-N 2.86Å; Q570-C573 WeakPolarHBondContact O-CB 3.43Å; Q570-C573 PolarHBondContact O-N 2.81Å; Q570-E574 PolarHBondContact O-N 3.1Å |
| 571 | S | 38.6 | Very low | 43.5 | Very low | 46 Ų | 46 | 112.5 Ų | 112.5 | 32% | 0.322 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -28.3 | 177.4 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | E567 C573 E574 I575 | E567-S571 PolarHBondContact O-N 3.47Å; E567-S571 PolarHBondContact O-OG 2.83Å; S571-C573 PolarHBondContact O-N 3.05Å; S571-E574 PolarHBondContact O-N 3.02Å; S571-I575 WeakPolarHBondContact O-CD1 3.29Å; S571-I575 VanDerWaalsContact O-CG1 3.23Å; S571-I575 WeakPolarHBondContact O-CG1 3.25Å; S571-I575 PolarHBondContact O-N 3.47Å; S571-I575 VanDerWaalsContact O-N 3.12Å |
| 572 | A | 39.2 | Very low | 41.6 | Very low | 66 Ų | 66 | 118 Ų | 118 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.2 | -11.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T568 Q570 | T568-A572 WeakPolarHBondContact O-CB 3.47Å; Q570-A572 PolarHBondContact O-N 2.86Å |
| 573 | C | 32.2 | Very low | 39.9 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 64% | 0.642 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -101.3 | -26.1 | 169.9 | -73.3 | 0 | 0 | 0 | 0 | 112.6 | Q570 S571 | Q570-C573 WeakPolarHBondContact O-CB 3.43Å; Q570-C573 PolarHBondContact O-N 2.81Å; S571-C573 PolarHBondContact O-N 3.05Å |
| 574 | E | 32.4 | Very low | 38.5 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 52% | 0.523 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -77 | -32 | 178.5 | -67.7 | 170.1 | 124.6 | 0 | 0 | 112.6 | Q570 S571 T576 S577 L578 | Q570-E574 PolarHBondContact O-N 3.1Å; S571-E574 PolarHBondContact O-N 3.02Å; E574-T576 PolarHBondContact O-N 3.44Å; E574-S577 PolarHBondContact O-N 2.93Å; E574-L578 HydrophobicContact CB-CD1 4.11Å; E574-L578 WeakPolarHBondContact O-CG 3.35Å; E574-L578 PolarHBondContact O-N 3.48Å |
| 575 | I | 38.9 | Very low | 37.7 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 65% | 0.646 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 6 | -179.1 | -66.7 | 164.6 | 0 | 0 | 0 | 113.4 | S571 | S571-I575 WeakPolarHBondContact O-CD1 3.29Å; S571-I575 VanDerWaalsContact O-CG1 3.23Å; S571-I575 WeakPolarHBondContact O-CG1 3.25Å; S571-I575 PolarHBondContact O-N 3.47Å; S571-I575 VanDerWaalsContact O-N 3.12Å |
| 576 | T | 36.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -0.3 | 168.4 | -48.3 | 0 | 0 | 0 | 0 | 113.3 | E574 | E574-T576 PolarHBondContact O-N 3.44Š|
| 577 | S | 36 | Very low | 36.2 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | -22 | 169.3 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | E574 N579 | E574-S577 PolarHBondContact O-N 2.93Å; S577-N579 PolarHBondContact O-N 3.2Å |
| 578 | L | 33.1 | Very low | 35.6 | Very low | 124 Ų | 124 | 121 Ų | 121 | 65% | 0.649 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 62.3 | 176.4 | -66.2 | 170.5 | 0 | 0 | 0 | 112.7 | E574 | E574-L578 HydrophobicContact CB-CD1 4.11Å; E574-L578 WeakPolarHBondContact O-CG 3.35Å; E574-L578 PolarHBondContact O-N 3.48Å |
| 579 | N | 34.9 | Very low | 34.9 | Very low | 161 Ų | 161 | 121.7 Ų | 121.7 | 86% | 0.861 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.6 | 16.2 | 164.6 | -136.2 | 10.1 | 0 | 0 | 0 | 113.7 | S577 | S577-N579 PolarHBondContact O-N 3.2Š|
| 580 | N | 32.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -143.7 | 125.2 | 168 | -100.2 | -35.5 | 0 | 0 | 0 | 106.1 | ||
| 581 | Q | 35.2 | Very low | 34.3 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 68.5 | 136.9 | -168.5 | -49.2 | 175.5 | 18.5 | 0 | 0 | 113.8 | ||
| 582 | Q | 34 | Very low | 34.1 | Very low | 178 Ų | 178 | 128.2 Ų | 128.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | cis | -156.6 | 159.2 | -21.9 | -133.7 | 163.5 | 23.7 | 0 | 0 | 110.6 | ||||
| 583 | S | 30.7 | Very low | 33.8 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | -74 | 164 | 168.3 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 584 | L | 31.5 | Very low | 34.2 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 92.2 | 96.4 | 161.7 | -50.9 | 178.3 | 0 | 0 | 0 | 119.6 | ||||
| 585 | L | 33.6 | Very low | 34.3 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | 69.4 | 149.1 | 124.8 | -61.3 | 172 | 0 | 0 | 0 | 122.2 | |||||
| 586 | S | 31 | Very low | 33.7 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -105.1 | -175.7 | -175.1 | -5.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 587 | P | 38.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -137.2 | 169.2 | -27.4 | 36.6 | -19.3 | 0 | 0 | 0 | 114.9 | ||||
| 588 | N | 29.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 44.9 | 114.7 | 140.7 | -175.8 | 51.2 | 0 | 0 | 0 | 121.9 | ||||
| 589 | S | 32.4 | Very low | 33.3 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | 179.6 | 131.1 | 111 | 57.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 590 | N | 34.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 44.4 | 137.2 | 148.6 | -60.7 | -11.5 | 0 | 0 | 0 | 123.3 | ||||
| 591 | P | 35.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | trans | -99.5 | 140.6 | 178.1 | 37.5 | -32.2 | 0 | 0 | 0 | 114.5 | ||||
| 592 | V | 34.5 | Very low | 32.8 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -139.6 | 138.1 | 161 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 593 | S | 32.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -47 | 156.6 | -176.3 | -44.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 594 | A | 38.9 | Very low | 32.8 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | 83 | 159.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 595 | P | 35 | Very low | 32.9 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -134.3 | 163.6 | -125.6 | 36.4 | -16.2 | 0 | 0 | 0 | 118.5 | |||||
| 596 | C | 26.9 | Very low | 32.9 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 42.2 | 99.6 | 150.7 | -68.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 597 | Q | 35.9 | Very low | 32.9 | Very low | 187 Ų | 187 | 131.6 Ų | 131.6 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | -164.5 | 117.2 | 125.1 | -100.5 | 160.9 | 24.1 | 0 | 0 | 106.2 | |||||
| 598 | K | 30 | Very low | 32.6 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | 99.1 | 134.1 | 68 | -107.1 | -166.7 | 162.5 | -152.2 | 0 | 112.6 | |||||
| 599 | D | 32.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | trans | 74.9 | 89 | 151 | -50.2 | -22.2 | 0 | 0 | 0 | 121.3 | ||||
| 600 | F | 29.1 | Very low | 33.1 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | 58.9 | 104.8 | 117.9 | -111.4 | -89.4 | 0 | 0 | 0 | 122.9 | |||||
| 601 | S | 32.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | 173.3 | 125.1 | 129.6 | 42.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 602 | L | 29.9 | Very low | 32.7 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | 76.8 | 100.6 | 39.6 | -162.4 | 85.8 | 0 | 0 | 0 | 114.5 | ||||
| 603 | T | 31.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | 171.4 | 142.6 | 115.7 | 33.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 604 | K | 32.9 | Very low | 32.4 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | 56.2 | 153.8 | 142.4 | -70.3 | -172.2 | 174.2 | 179.5 | 0 | 121.7 | ||||
| 605 | S | 32.8 | Very low | 32.1 | Very low | 84 Ų | 84 | 141.1 Ų | 141.1 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | cis | -171.5 | 172.7 | -21.5 | 56.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 606 | T | 34.2 | Very low | 32 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 70.3 | 144.3 | 146.6 | 40.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 607 | S | 30.5 | Very low | 32.3 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | cis | -175.4 | 179.1 | -19.3 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 608 | T | 33.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | 87.7 | 74.3 | 149.3 | -40.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 609 | S | 30.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | 40.7 | 153.3 | 118.8 | 58.3 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 610 | P | 41.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -116.4 | -177.4 | -170.3 | 45.3 | -35 | 0 | 0 | 0 | 116.2 | ||||
| 611 | F | 29.5 | Very low | 32.5 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -174.6 | 160 | 161.9 | -118.4 | -143 | 0 | 0 | 0 | 110.6 | ||||
| 612 | V | 31.7 | Very low | 32.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 58% | 0.582 | 74% | 0.744 | S | S | * | * | cis | -169.1 | 141.8 | -33.2 | 107.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 613 | Y | 28.1 | Very low | 32.1 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 61.9 | 163.3 | 169.2 | -84.5 | -109.5 | 0 | 0 | 0 | 118.1 | ||||
| 614 | R | 33.4 | Very low | 32 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 82% | 0.823 | 75% | 0.753 | S | S | * | * | cis | -146.1 | 167.1 | 25.4 | -149.9 | -173 | -148.2 | 177.5 | 5.2 | 113.3 | ||||
| 615 | N | 32.7 | Very low | 32 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | trans | -80.1 | 169 | 170.1 | -56.1 | -29.1 | 0 | 0 | 0 | 111.9 | ||||
| 616 | D | 33.1 | Very low | 32 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | 175.4 | 143.6 | 114.7 | -84.7 | -20.9 | 0 | 0 | 0 | 115.7 | |||||
| 617 | I | 32.9 | Very low | 32.3 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 73 | 114.1 | 145.1 | -64.5 | 164.8 | 0 | 0 | 0 | 123.1 | ||||
| 618 | E | 31.7 | Very low | 32.2 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 51.1 | 150.8 | 141 | -63.1 | -165.1 | 135.2 | 0 | 0 | 126.6 | ||||
| 619 | P | 38.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | trans | -107.1 | 146.7 | 172.8 | 39.5 | -30.4 | 0 | 0 | 0 | 114.5 | ||||
| 620 | L | 32.3 | Very low | 32.4 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | trans | -138.2 | 145.8 | 166.3 | -80.3 | 178.5 | 0 | 0 | 0 | 114.6 | ||||
| 621 | S | 28.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -66.4 | 163 | 174.6 | 50.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 622 | V | 28.3 | Very low | 32.4 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | 165.7 | 121.5 | 121.7 | 155 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 623 | L | 27.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | 39.5 | 133.6 | 144.4 | -55.5 | 175.8 | 0 | 0 | 0 | 125.3 | ||||
| 624 | T | 27.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 145.3 Ų | 145.3 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 70.2 | 152.1 | 135.8 | -137.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 625 | S | 33.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | cis | -148 | 179.3 | 16 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 626 | R | 32 | Very low | 32.5 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -97.6 | -175 | 177.7 | -99.9 | -171.7 | 76.6 | -168.9 | 1.5 | 110.9 | ||||
| 627 | P | 40.4 | Very low | 32.6 | Very low | 82 Ų | 82 | 143.1 Ų | 143.1 | 53% | 0.532 | 75% | 0.749 | S | S | . | * | cis | -143.3 | -163.5 | -49.7 | 44 | -25.6 | 0 | 0 | 0 | 113.8 | ||||
| 628 | E | 29.8 | Very low | 32.5 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | trans | 67.4 | 164.1 | 150 | -74.4 | -168.3 | 107.8 | 0 | 0 | 120.6 | ||||
| 629 | K | 30.8 | Very low | 32.5 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | cis | -179.4 | 129.9 | -32.8 | 171.7 | -176.1 | 175.5 | -172.2 | 0 | 109.8 | ||||
| 630 | T | 35.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -149.8 | 144.2 | 167 | -30.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 631 | E | 31.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | trans | -115 | -145.5 | 171.4 | -67.8 | -174.1 | -168.5 | 0 | 0 | 110.3 | ||||
| 632 | P | 40.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | -117.9 | -168.3 | -92.9 | 34.5 | -17.4 | 0 | 0 | 0 | 112.2 | |||||
| 633 | I | 33.1 | Very low | 33 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 165.9 | 165.3 | 132 | -84.4 | 158 | 0 | 0 | 0 | 111.6 | ||||
| 634 | Y | 28.7 | Very low | 33.3 | Very low | 204 Ų | 204 | 137 Ų | 137 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | trans | -67.1 | 173.4 | -175.2 | -65.3 | -94.5 | 0 | 0 | 0 | 113.1 | ||||
| 635 | D | 34.5 | Very low | 33.7 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | -166.7 | -176.9 | 59.6 | -108 | -52.5 | 0 | 0 | 0 | 117.3 | |||||
| 636 | L | 32.7 | Very low | 33.8 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 69% | 0.686 | 71% | 0.711 | S | S | * | * | trans | -33.8 | 170.9 | 166.4 | -89.8 | 51.7 | 0 | 0 | 0 | 117.4 | ||||
| 637 | E | 34.4 | Very low | 33.8 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | cis | -160.1 | 138.2 | 17.4 | -122.9 | 157.2 | 140.8 | 0 | 0 | 107.7 | ||||
| 638 | T | 31.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | 94.1 | 144.9 | 77.9 | -72 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 639 | Q | 31.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | 72.1 | 149.3 | 165.2 | -90 | 179.6 | 96.1 | 0 | 0 | 117.8 | ||||
| 640 | K | 32.7 | Very low | 33.9 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | cis | -167.4 | 153.3 | -9.6 | -151.4 | -178.9 | -158.3 | 150.3 | 0 | 110.4 | ||||
| 641 | S | 35 | Very low | 33.8 | Very low | 88 Ų | 88 | 142.6 Ų | 142.6 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | trans | 47.4 | 155.9 | 145 | 56.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 642 | N | 32.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | cis | -170.9 | 172.5 | -18.4 | -105.3 | 14.3 | 0 | 0 | 0 | 107.8 | ||||
| 643 | D | 36.1 | Very low | 33.6 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | trans | 64.7 | 166.6 | 155 | -54.4 | -36.8 | 0 | 0 | 0 | 120.3 | ||||
| 644 | S | 34.1 | Very low | 33.4 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 53% | 0.531 | 70% | 0.704 | S | S | . | * | -166.3 | 147.9 | -52.4 | -164 | 0 | 0 | 0 | 0 | 111 | |||||
| 645 | H | 37.5 | Very low | 33.8 | Very low | 172 Ų | 172 | 141.7 Ų | 141.7 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | trans | 61.8 | 170.3 | 171 | -41.9 | -65.3 | 0 | 0 | 0 | 115.8 | ||||
| 646 | H | 35.6 | Very low | 33.6 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | cis | -145.3 | -165.9 | -7.5 | -147 | 41.5 | 0 | 0 | 0 | 113.2 | ||||
| 647 | Y | 30.7 | Very low | 33.7 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | -81.4 | 153.6 | -158.4 | -109.8 | -91.8 | 0 | 0 | 0 | 119.9 | ||||
| 648 | H | 34.2 | Very low | 33.6 | Very low | 150 Ų | 150 | 141 Ų | 141 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | trans | 81.5 | 148.8 | 140.6 | -122.7 | -51.3 | 0 | 0 | 0 | 124.3 | ||||
| 649 | H | 35.7 | Very low | 33.7 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | trans | 79.8 | 142.9 | 160.1 | -97.7 | 62 | 0 | 0 | 0 | 116.3 | ||||
| 650 | Q | 33.8 | Very low | 33.8 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 65% | 0.654 | 72% | 0.721 | S | S | * | * | cis | -151.6 | 152.7 | -5.7 | -156.3 | 176.8 | 6.5 | 0 | 0 | 112.1 | ||||
| 651 | Q | 33.3 | Very low | 33.4 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | trans | 16.7 | 134.4 | 156.5 | -70.3 | -179.5 | 13.9 | 0 | 0 | 123.6 | ||||
| 652 | Q | 32.8 | Very low | 33.1 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | 72.4 | 154.9 | 138.2 | -66.2 | 179.7 | 59.6 | 0 | 0 | 118.1 | ||||
| 653 | Q | 33.8 | Very low | 33.1 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | cis | -153.4 | 132.5 | 0 | -133.7 | -176.4 | 82.9 | 0 | 0 | 112.1 | ||||
| 654 | Q | 30.2 | Very low | 32.8 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | 55.9 | 161.8 | 156.8 | -68.2 | -164.3 | 32.4 | 0 | 0 | 121.8 | ||||
| 655 | P | 36.6 | Very low | 32.7 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | trans | -116.6 | 158 | -162.4 | 40.7 | -29.8 | 0 | 0 | 0 | 116.3 | ||||
| 656 | G | 31.2 | Very low | 32.4 | Very low | 71 Ų | 71 | 144 Ų | 144 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | -168.6 | 96.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 657 | K | 33.8 | Very low | 32 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | 77.5 | 154.9 | 152.5 | -59.2 | -167.2 | -179.4 | -177.9 | 0 | 122.8 | ||||
| 658 | E | 33.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | 80.3 | 93.2 | 149.4 | -79.5 | 151.3 | -128 | 0 | 0 | 122.5 | ||||
| 659 | T | 33.3 | Very low | 32 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | 55.3 | 122.6 | 132.2 | 56.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 660 | N | 33.1 | Very low | 31.6 | Very low | 162 Ų | 162 | 142.4 Ų | 142.4 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | -155.9 | 171.6 | 66.1 | -99.1 | -54.7 | 0 | 0 | 0 | 115.1 | |||||
| 661 | C | 26.1 | Very low | 31.6 | Very low | 116 Ų | 116 | 145 Ų | 145 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | -85.7 | 136.3 | -168.1 | -108.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 662 | S | 27.7 | Very low | 31.4 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | 29.2 | 127.4 | 124.4 | -52.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 663 | H | 32.8 | Very low | 31.5 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | -161.1 | 110.9 | 77.3 | -104.7 | -87.3 | 0 | 0 | 0 | 115.9 | |||||
| 664 | R | 29.8 | Very low | 31.6 | Very low | 227 Ų | 227 | 144 Ų | 144 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | 50.5 | 115.6 | 135.8 | -156.2 | 172.5 | -158.8 | -150.3 | 3.4 | 122 | ||||
| 665 | S | 32.6 | Very low | 31.9 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -7.4 | 130.7 | 152.8 | 58.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 666 | S | 30.1 | Very low | 31.6 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | cis | 77.9 | 100.8 | 43.6 | -162.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 667 | M | 27.9 | Very low | 31.9 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | trans | 43.4 | 107.1 | 137.5 | -63 | -64.8 | -178.4 | 0 | 0 | 121.7 | ||||
| 668 | K | 32.5 | Very low | 32.2 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -158 | 130.8 | 134 | -141.7 | 75.8 | 179.4 | -178.1 | 0 | 113.2 | ||||
| 669 | S | 31.9 | Very low | 32.8 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 13.8 | 117.5 | 158.2 | 55.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 670 | S | 28 | Very low | 33.6 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -94.4 | 131.1 | 164.1 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 671 | E | 32.3 | Very low | 34.9 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -134.7 | 142.4 | 169.6 | -166.6 | 154.4 | -153.1 | 0 | 0 | 109.2 | ||||
| 672 | S | 29.1 | Very low | 36.9 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -93.2 | 130.8 | -155.4 | 46.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 673 | V | 35.7 | Very low | 38.7 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -127.2 | 114.7 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 674 | H | 36.6 | Very low | 40.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 127.5 | -173.9 | -124.7 | -102.8 | 0 | 0 | 0 | 112.3 | D676 | H674-D676 IonicContact CE1-OD1 2.81Å; H674-D676 IonicContact CG-OD1 2.67Å; H674-D676 IonicContact ND1-OD1 3.17Å; H674-D676 PolarHBondContact ND1-OD1 2.91Å; H674-D676 IonicContact ND1-OD2 3.77Å; H674-D676 PolarHBondContact O-N 2.98Å | ||
| 675 | P | 36.1 | Very low | 42 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -93.7 | 61.2 | -179.3 | 37.5 | -35.2 | 0 | 0 | 0 | 113 | E677 | P675-E677 VanDerWaalsContact C-N 3.3Å; P675-E677 PolarHBondContact O-N 3.41Å | ||
| 676 | D | 30.2 | Very low | 43.9 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -76.9 | 64 | -177.3 | -70.5 | 1.1 | 0 | 0 | 0 | 113.6 | H674 | H674-D676 IonicContact CE1-OD1 2.81Å; H674-D676 IonicContact CG-OD1 2.67Å; H674-D676 IonicContact ND1-OD1 3.17Å; H674-D676 PolarHBondContact ND1-OD1 2.91Å; H674-D676 IonicContact ND1-OD2 3.77Å; H674-D676 PolarHBondContact O-N 2.98Å | ||
| 677 | E | 38.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -158.4 | 67.3 | 166.8 | -133.5 | -179.7 | -122.2 | 0 | 0 | 113.7 | P675 | P675-E677 VanDerWaalsContact C-N 3.3Å; P675-E677 PolarHBondContact O-N 3.41Å | ||
| 678 | N | 39.6 | Very low | 47.8 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 69% | 0.687 | S | S | * | * | trans | -164.8 | 86.6 | 160.7 | -106.4 | -60.3 | 0 | 0 | 0 | 113.7 | ||||
| 679 | I | 45 | Very low | 50.1 | Low | 174 Ų | 174 | 127 Ų | 127 | 89% | 0.892 | 67% | 0.671 | S | S | * | * | trans | -125.2 | 70.2 | 162 | -51.2 | -179.3 | 0 | 0 | 0 | 108.5 | ||||
| 680 | V | 50.5 | Low | 52.3 | Low | 80 Ų | 80 | 128.5 Ų | 128.5 | 49% | 0.485 | 66% | 0.66 | S | S | . | * | trans | -81.1 | 128.8 | 161 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | E684 | V680-E684 HydrophobicContact CG1-CB 3.95Å; V680-E684 HydrophobicContact CG1-CG 4.1Å | ||
| 681 | S | 60.1 | Low | 54.6 | Low | 56 Ų | 56 | 125.9 Ų | 125.9 | 39% | 0.392 | 64% | 0.635 | S | S | . | * | trans | -67.1 | 149.1 | -178.2 | 79.3 | 0 | 0 | 0 | 0 | 110.8 | E683 E684 Q685 | S681-E683 PolarHBondContact O-N 3.24Å; S681-E683 VanDerWaalsContact O-N 3.12Å; S681-E684 PolarHBondContact O-N 3.4Å; S681-E684 WeakPolarHBondContact OG-CB 3.41Å; S681-E684 PolarHBondContact OG-N 2.83Å; S681-Q685 PolarHBondContact O-N 2.67Å | ||
| 682 | K | 69.1 | Low | 56.9 | Low | 193 Ų | 193 | 119.7 Ų | 119.7 | 84% | 0.839 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.7 | -28.1 | 176.6 | -165.7 | 175.8 | -178.5 | -179 | 0 | 111.7 | E686 | K682-E686 WeakPolarHBondContact O-CB 3.48Å; K682-E686 PolarHBondContact O-N 3.06Å; K682-E686 VanDerWaalsContact O-N 3.08Å |
| 683 | E | 64.1 | Low | 59.4 | Low | 144 Ų | 144 | 121 Ų | 121 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77 | -37.4 | 175.4 | -175 | 167 | -146.3 | 0 | 0 | 113.4 | S681 E686 T687 | S681-E683 PolarHBondContact O-N 3.24Å; S681-E683 VanDerWaalsContact O-N 3.12Å; E683-E686 PolarHBondContact O-N 3.45Å; E683-T687 WeakPolarHBondContact O-CB 3.29Å; E683-T687 WeakPolarHBondContact O-CG2 3.28Å; E683-T687 PolarHBondContact O-N 3.47Å; E683-T687 PolarHBondContact O-OG1 2.99Å |
| 684 | E | 66.3 | Low | 61.4 | Low | 117 Ų | 117 | 119 Ų | 119 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.5 | -39.1 | 172.1 | -173 | 170.2 | -158 | 0 | 0 | 111.1 | V680 S681 T687 E688 | V680-E684 HydrophobicContact CG1-CB 3.95Å; V680-E684 HydrophobicContact CG1-CG 4.1Å; S681-E684 PolarHBondContact O-N 3.4Å; S681-E684 WeakPolarHBondContact OG-CB 3.41Å; S681-E684 PolarHBondContact OG-N 2.83Å; E684-T687 WeakPolarHBondContact CA-OG1 3.47Å; E684-T687 PolarHBondContact O-OG1 3.26Å; E684-T687 VanDerWaalsContact O-OG1 3.09Å; E684-E688 PolarHBondContact O-N 3.09Å |
| 685 | Q | 66.9 | Low | 63.4 | Low | 113 Ų | 113 | 114.2 Ų | 114.2 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.8 | -34.2 | 174.8 | -163.2 | -176.8 | 81.9 | 0 | 0 | 112.8 | S681 R689 | S681-Q685 PolarHBondContact O-N 2.67Å; Q685-R689 PolarHBondContact O-N 2.84Å |
| 686 | E | 71.8 | Confident | 65.6 | Low | 71 Ų | 71 | 114.8 Ų | 114.8 | 33% | 0.332 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.3 | -40.7 | 175.1 | 172.4 | 57.8 | -172.4 | 0 | 0 | 112.2 | K682 E683 R689 R690 | K682-E686 WeakPolarHBondContact O-CB 3.48Å; K682-E686 PolarHBondContact O-N 3.06Å; K682-E686 VanDerWaalsContact O-N 3.08Å; E683-E686 PolarHBondContact O-N 3.45Å; E686-R689 WeakPolarHBondContact O-CB 3.49Å; E686-R689 PolarHBondContact O-N 2.75Å; E686-R690 WeakPolarHBondContact O-CG 3.44Å; E686-R690 PolarHBondContact O-N 3.03Å; E686-R690 IonicContact OE1-CZ 3.2Å; E686-R690 IonicContact OE1-NE 2.75Å; E686-R690 PolarHBondContact OE1-NE 3.47Å; E686-R690 IonicContact OE1-NH2 2.84Å; E686-R690 PolarHBondContact OE1-NH2 2.85Å |
| 687 | T | 67.4 | Low | 67.7 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 39% | 0.393 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.8 | -36.1 | 173.7 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | E683 E684 R690 I691 | E683-T687 WeakPolarHBondContact O-CB 3.29Å; E683-T687 WeakPolarHBondContact O-CG2 3.28Å; E683-T687 PolarHBondContact O-N 3.47Å; E683-T687 PolarHBondContact O-OG1 2.99Å; E684-T687 WeakPolarHBondContact CA-OG1 3.47Å; E684-T687 PolarHBondContact O-OG1 3.26Å; E684-T687 VanDerWaalsContact O-OG1 3.09Å; T687-R690 PolarHBondContact O-N 2.65Å; T687-I691 WeakPolarHBondContact O-CB 3.37Å; T687-I691 WeakPolarHBondContact O-CD1 3.32Å; T687-I691 VanDerWaalsContact O-CG1 3.22Å; T687-I691 WeakPolarHBondContact O-CG1 3.45Å; T687-I691 PolarHBondContact O-N 3.2Å |
| 688 | E | 72.4 | Confident | 69.4 | Low | 101 Ų | 101 | 104.5 Ų | 104.5 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 169.3 | 179.4 | 152.7 | -127.4 | 0 | 0 | 112.3 | R68 E684 I691 N692 | R68-E688 IonicContact NH2-OE1 3.75Å; E684-E688 PolarHBondContact O-N 3.09Å; E688-I691 PolarHBondContact O-N 2.86Å; E688-N692 VanDerWaalsContact CG-ND2 3.25Å; E688-N692 WeakPolarHBondContact CG-ND2 3.24Å; E688-N692 WeakPolarHBondContact O-CB 3.26Å; E688-N692 PolarHBondContact O-N 3.24Å; E688-N692 PolarHBondContact O-ND2 2.84Å; E688-N692 VanDerWaalsContact O-ND2 3.09Å |
| 689 | R | 79.7 | Confident | 71.5 | Confident | 146 Ų | 146 | 103.6 Ų | 103.6 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.6 | -50.8 | 170.6 | -91.4 | -171.9 | 169.3 | 88 | -1.8 | 111.7 | Q685 E686 I691 N692 Q693 | Q685-R689 PolarHBondContact O-N 2.84Å; E686-R689 WeakPolarHBondContact O-CB 3.49Å; E686-R689 PolarHBondContact O-N 2.75Å; R689-I691 PolarHBondContact O-N 3.18Å; R689-N692 PolarHBondContact O-N 3.3Å; R689-Q693 PolarHBondContact O-N 3.44Å |
| 690 | R | 78.3 | Confident | 73 | Confident | 143 Ų | 143 | 98.2 Ų | 98.2 | 54% | 0.54 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 178.5 | -68.6 | 176 | -170.3 | -164.3 | 2.1 | 112 | E686 T687 N692 Q693 I694 | E686-R690 WeakPolarHBondContact O-CG 3.44Å; E686-R690 PolarHBondContact O-N 3.03Å; E686-R690 IonicContact OE1-CZ 3.2Å; E686-R690 IonicContact OE1-NE 2.75Å; E686-R690 PolarHBondContact OE1-NE 3.47Å; E686-R690 IonicContact OE1-NH2 2.84Å; E686-R690 PolarHBondContact OE1-NH2 2.85Å; T687-R690 PolarHBondContact O-N 2.65Å; R690-N692 VanDerWaalsContact C-N 3.29Å; R690-N692 PolarHBondContact O-N 2.88Å; R690-Q693 PolarHBondContact O-N 3.33Å; R690-I694 VanDerWaalsContact O-CG1 3.28Å; R690-I694 WeakPolarHBondContact O-CG1 3.36Å; R690-I694 PolarHBondContact O-N 3.31Å |
| 691 | I | 77 | Confident | 74 | Confident | 72 Ų | 72 | 97.3 Ų | 97.3 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 176.3 | -72.3 | 164.7 | 0 | 0 | 0 | 111.3 | T687 E688 R689 L695 | T687-I691 WeakPolarHBondContact O-CB 3.37Å; T687-I691 WeakPolarHBondContact O-CD1 3.32Å; T687-I691 VanDerWaalsContact O-CG1 3.22Å; T687-I691 WeakPolarHBondContact O-CG1 3.45Å; T687-I691 PolarHBondContact O-N 3.2Å; E688-I691 PolarHBondContact O-N 2.86Å; R689-I691 PolarHBondContact O-N 3.18Å; I691-L695 HydrophobicContact CG2-CD1 4.04Å; I691-L695 WeakPolarHBondContact O-CD1 3.45Å; I691-L695 WeakPolarHBondContact O-CG 3.43Å; I691-L695 PolarHBondContact O-N 2.88Å |
| 692 | N | 81 | Confident | 74.7 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.5 | -34.5 | 178.7 | -71.8 | -38.3 | 0 | 0 | 0 | 112.8 | R68 E688 R689 R690 L695 L696 | R68-N692 PolarHBondContact NH2-OD1 3.49Å; E688-N692 VanDerWaalsContact CG-ND2 3.25Å; E688-N692 WeakPolarHBondContact CG-ND2 3.24Å; E688-N692 WeakPolarHBondContact O-CB 3.26Å; E688-N692 PolarHBondContact O-N 3.24Å; E688-N692 PolarHBondContact O-ND2 2.84Å; E688-N692 VanDerWaalsContact O-ND2 3.09Å; R689-N692 PolarHBondContact O-N 3.3Å; R690-N692 VanDerWaalsContact C-N 3.29Å; R690-N692 PolarHBondContact O-N 2.88Å; N692-L695 PolarHBondContact O-N 2.89Å; N692-L696 WeakPolarHBondContact O-CD1 3.27Å; N692-L696 PolarHBondContact O-N 3.43Å |
| 693 | Q | 80.7 | Confident | 75.1 | Confident | 143 Ų | 143 | 92.3 Ų | 92.3 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.7 | -47.7 | 169 | -77.1 | -175 | -10.2 | 0 | 0 | 111.7 | R689 R690 L695 L696 A697 | R689-Q693 PolarHBondContact O-N 3.44Å; R690-Q693 PolarHBondContact O-N 3.33Å; Q693-L695 PolarHBondContact O-N 3.49Å; Q693-L696 PolarHBondContact O-N 2.88Å; Q693-L696 VanDerWaalsContact O-N 3.08Å; Q693-A697 PolarHBondContact O-N 3.28Å |
| 694 | I | 78.6 | Confident | 75.4 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 177 | -67.9 | 164 | 0 | 0 | 0 | 110.9 | R690 A698 | R690-I694 VanDerWaalsContact O-CG1 3.28Å; R690-I694 WeakPolarHBondContact O-CG1 3.36Å; R690-I694 PolarHBondContact O-N 3.31Å; I694-A698 WeakPolarHBondContact O-CB 3.32Å; I694-A698 PolarHBondContact O-N 2.85Å |
| 695 | L | 77.8 | Confident | 75.5 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 27% | 0.272 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 174.5 | -83.3 | 159 | 0 | 0 | 0 | 113.7 | R68 I691 N692 Q693 K699 | R68-L695 HydrophobicContact CG-CD1 3.99Å; R68-L695 HydrophobicContact CG-CD2 4.36Å; I691-L695 HydrophobicContact CG2-CD1 4.04Å; I691-L695 WeakPolarHBondContact O-CD1 3.45Å; I691-L695 WeakPolarHBondContact O-CG 3.43Å; I691-L695 PolarHBondContact O-N 2.88Å; N692-L695 PolarHBondContact O-N 2.89Å; Q693-L695 PolarHBondContact O-N 3.49Å; L695-K699 WeakPolarHBondContact O-CB 3.49Å; L695-K699 PolarHBondContact O-N 3.13Å; L695-K699 VanDerWaalsContact O-N 3.09Å |
| 696 | L | 83.6 | Confident | 75.9 | Confident | 131 Ų | 131 | 92.4 Ų | 92.4 | 69% | 0.686 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.3 | -49 | 172.1 | -101.7 | 79 | 0 | 0 | 0 | 111.1 | N692 Q693 A698 K699 A700 | N692-L696 WeakPolarHBondContact O-CD1 3.27Å; N692-L696 PolarHBondContact O-N 3.43Å; Q693-L696 PolarHBondContact O-N 2.88Å; Q693-L696 VanDerWaalsContact O-N 3.08Å; L696-A698 PolarHBondContact O-N 3.46Å; L696-K699 WeakPolarHBondContact O-CB 3.39Å; L696-K699 PolarHBondContact O-N 3.08Å; L696-K699 VanDerWaalsContact O-N 3.1Å; L696-A700 PolarHBondContact O-N 3.48Å |
| 697 | A | 74.6 | Confident | 75.9 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 51% | 0.512 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q693 K699 A700 A701 | Q693-A697 PolarHBondContact O-N 3.28Å; A697-K699 VanDerWaalsContact C-N 3.3Å; A697-K699 PolarHBondContact O-N 3.38Å; A697-A700 PolarHBondContact O-N 3.42Å; A697-A701 WeakPolarHBondContact O-CB 3.41Å; A697-A701 PolarHBondContact O-N 2.9Å |
| 698 | A | 73.9 | Confident | 76 | Confident | 25 Ų | 25 | 96.2 Ų | 96.2 | 21% | 0.207 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -63.8 | -33.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | I694 L696 M702 | I694-A698 WeakPolarHBondContact O-CB 3.32Å; I694-A698 PolarHBondContact O-N 2.85Å; L696-A698 PolarHBondContact O-N 3.46Å; A698-M702 WeakPolarHBondContact O-CE 3.33Å; A698-M702 WeakPolarHBondContact O-CG 3.24Å; A698-M702 PolarHBondContact O-N 2.91Å; A698-M702 VanDerWaalsContact O-N 3.17Å |
| 699 | K | 83 | Confident | 76 | Confident | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.3 | -48.2 | 172.8 | -171 | -169.4 | 170.5 | -156.8 | 0 | 111.2 | L695 L696 A697 A701 M702 D703 | L695-K699 WeakPolarHBondContact O-CB 3.49Å; L695-K699 PolarHBondContact O-N 3.13Å; L695-K699 VanDerWaalsContact O-N 3.09Å; L696-K699 WeakPolarHBondContact O-CB 3.39Å; L696-K699 PolarHBondContact O-N 3.08Å; L696-K699 VanDerWaalsContact O-N 3.1Å; A697-K699 VanDerWaalsContact C-N 3.3Å; A697-K699 PolarHBondContact O-N 3.38Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.24Å; K699-M702 PolarHBondContact O-N 2.92Å; K699-M702 VanDerWaalsContact O-N 3.09Å; K699-D703 VanDerWaalsContact CE-OD2 3.22Å; K699-D703 WeakPolarHBondContact CE-OD2 3.34Å; K699-D703 IonicContact NZ-OD2 3.97Å; K699-D703 PolarHBondContact O-N 3.43Å |
| 700 | A | 76.3 | Confident | 75.5 | Confident | 61 Ų | 61 | 93.1 Ų | 93.1 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.5 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L696 A697 M702 D703 Y704 | L696-A700 PolarHBondContact O-N 3.48Å; A697-A700 PolarHBondContact O-N 3.42Å; A700-M702 PolarHBondContact O-N 2.95Å; A700-D703 PolarHBondContact O-N 3Å; A700-Y704 WeakPolarHBondContact O-CB 3.35Å; A700-Y704 PolarHBondContact O-N 3.44Å |
| 701 | A | 71.4 | Confident | 74.4 | Confident | 61 Ų | 61 | 91.3 Ų | 91.3 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A697 K699 Y704 E705 | A697-A701 WeakPolarHBondContact O-CB 3.41Å; A697-A701 PolarHBondContact O-N 2.9Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.24Å; A701-Y704 PolarHBondContact O-N 2.91Å; A701-E705 WeakPolarHBondContact O-CB 3.44Å; A701-E705 PolarHBondContact O-N 2.95Å |
| 702 | M | 75.1 | Confident | 73 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 174.8 | -74.5 | -174.9 | -64.6 | 0 | 0 | 112.7 | A698 K699 A700 Y704 K706 | A698-M702 WeakPolarHBondContact O-CE 3.33Å; A698-M702 WeakPolarHBondContact O-CG 3.24Å; A698-M702 PolarHBondContact O-N 2.91Å; A698-M702 VanDerWaalsContact O-N 3.17Å; K699-M702 PolarHBondContact O-N 2.92Å; K699-M702 VanDerWaalsContact O-N 3.09Å; A700-M702 PolarHBondContact O-N 2.95Å; M702-Y704 VanDerWaalsContact C-N 3.32Å; M702-K706 VanDerWaalsContact O-CB 3.24Å; M702-K706 WeakPolarHBondContact O-CB 3.45Å; M702-K706 PolarHBondContact O-N 3.36Å |
| 703 | D | 76.3 | Confident | 71 | Confident | 60 Ų | 60 | 93.5 Ų | 93.5 | 32% | 0.321 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.6 | -25.5 | 175.7 | -75.8 | -39.5 | 0 | 0 | 0 | 111.7 | K699 A700 Q707 | K699-D703 VanDerWaalsContact CE-OD2 3.22Å; K699-D703 WeakPolarHBondContact CE-OD2 3.34Å; K699-D703 IonicContact NZ-OD2 3.97Å; K699-D703 PolarHBondContact O-N 3.43Å; A700-D703 PolarHBondContact O-N 3Å; D703-Q707 WeakPolarHBondContact O-CG 3.45Å; D703-Q707 PolarHBondContact O-N 3.09Å; D703-Q707 VanDerWaalsContact O-N 3.09Å; D703-Q707 PolarHBondContact O-NE2 2.97Å |
| 704 | Y | 72 | Confident | 69 | Low | 161 Ų | 161 | 91.9 Ų | 91.9 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -74.4 | -44.9 | 169.5 | -133.2 | -79.4 | 0 | 0 | 0 | 112 | A700 A701 M702 K706 Q707 I708 | A700-Y704 WeakPolarHBondContact O-CB 3.35Å; A700-Y704 PolarHBondContact O-N 3.44Å; A701-Y704 PolarHBondContact O-N 2.91Å; M702-Y704 VanDerWaalsContact C-N 3.32Å; Y704-K706 PolarHBondContact O-N 3.02Å; Y704-Q707 PolarHBondContact O-N 3.05Å; Y704-Q707 VanDerWaalsContact O-N 3.09Å; Y704-I708 HydrophobicContact CD1-CD1 3.98Å; Y704-I708 HydrophobicContact CD1-CG1 4.3Å; Y704-I708 WeakPolarHBondContact O-CG1 3.43Å; Y704-I708 PolarHBondContact O-N 3.12Å |
| 705 | E | 66.9 | Low | 66.9 | Low | 69 Ų | 69 | 95.5 Ų | 95.5 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.4 | -37.4 | 172 | -170.8 | -167.2 | 164.1 | 0 | 0 | 110.8 | A701 K709 | A701-E705 WeakPolarHBondContact O-CB 3.44Å; A701-E705 PolarHBondContact O-N 2.95Å; E705-K709 HydrophobicContact CG-CD 4.25Å; E705-K709 WeakPolarHBondContact O-CB 3.38Å; E705-K709 WeakPolarHBondContact O-CG 3.33Å; E705-K709 PolarHBondContact O-N 2.92Å; E705-K709 IonicContact OE1-NZ 2.88Å; E705-K709 PolarHBondContact OE1-NZ 2.82Å |
| 706 | K | 76.2 | Confident | 64.9 | Low | 145 Ų | 145 | 102.3 Ų | 102.3 | 63% | 0.63 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.5 | -34 | 176.3 | -172.5 | -175.5 | 172.8 | -159.7 | 0 | 113 | M702 Y704 A710 | M702-K706 VanDerWaalsContact O-CB 3.24Å; M702-K706 WeakPolarHBondContact O-CB 3.45Å; M702-K706 PolarHBondContact O-N 3.36Å; Y704-K706 PolarHBondContact O-N 3.02Å; K706-A710 WeakPolarHBondContact O-CB 3.38Å; K706-A710 PolarHBondContact O-N 3.37Å |
| 707 | Q | 71.3 | Confident | 62.5 | Low | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.2 | -46.1 | 171.5 | -78.3 | 166.5 | 85.7 | 0 | 0 | 111.3 | D703 Y704 K709 A710 N711 | D703-Q707 WeakPolarHBondContact O-CG 3.45Å; D703-Q707 PolarHBondContact O-N 3.09Å; D703-Q707 VanDerWaalsContact O-N 3.09Å; D703-Q707 PolarHBondContact O-NE2 2.97Å; Y704-Q707 PolarHBondContact O-N 3.05Å; Y704-Q707 VanDerWaalsContact O-N 3.09Å; Q707-K709 PolarHBondContact O-N 2.84Å; Q707-A710 WeakPolarHBondContact O-CB 3.42Å; Q707-A710 PolarHBondContact O-N 2.74Å; Q707-N711 VanDerWaalsContact O-CG 3.31Å; Q707-N711 PolarHBondContact O-N 2.91Å; Q707-N711 PolarHBondContact O-OD1 3.15Å |
| 708 | I | 70.1 | Confident | 60.4 | Low | 108 Ų | 108 | 108 Ų | 108 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57 | -38.5 | 173.8 | -67.8 | 167.7 | 0 | 0 | 0 | 110.7 | Y704 G712 | Y704-I708 HydrophobicContact CD1-CD1 3.98Å; Y704-I708 HydrophobicContact CD1-CG1 4.3Å; Y704-I708 WeakPolarHBondContact O-CG1 3.43Å; Y704-I708 PolarHBondContact O-N 3.12Å; I708-G712 WeakPolarHBondContact O-CA 3.33Å; I708-G712 PolarHBondContact O-N 3.38Å |
| 709 | K | 73 | Confident | 58.4 | Low | 123 Ų | 123 | 111.2 Ų | 111.2 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -78.1 | -17.4 | 175.8 | -74.3 | 174.7 | 176.6 | 176.4 | 0 | 115.1 | E705 Q707 | E705-K709 HydrophobicContact CG-CD 4.25Å; E705-K709 WeakPolarHBondContact O-CB 3.38Å; E705-K709 WeakPolarHBondContact O-CG 3.33Å; E705-K709 PolarHBondContact O-N 2.92Å; E705-K709 IonicContact OE1-NZ 2.88Å; E705-K709 PolarHBondContact OE1-NZ 2.82Å; Q707-K709 PolarHBondContact O-N 2.84Å |
| 710 | A | 68 | Low | 56 | Low | 58 Ų | 58 | 112.7 Ų | 112.7 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -79.6 | -42.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K706 Q707 | K706-A710 WeakPolarHBondContact O-CB 3.38Å; K706-A710 PolarHBondContact O-N 3.37Å; Q707-A710 WeakPolarHBondContact O-CB 3.42Å; Q707-A710 PolarHBondContact O-N 2.74Å |
| 711 | N | 56.8 | Low | 53.7 | Low | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -82 | -35.4 | -175.8 | -58.3 | 8.3 | 0 | 0 | 0 | 112 | Q707 L713 T714 | Q707-N711 VanDerWaalsContact O-CG 3.31Å; Q707-N711 PolarHBondContact O-N 2.91Å; Q707-N711 PolarHBondContact O-OD1 3.15Å; N711-L713 PolarHBondContact O-N 3.4Å; N711-L713 VanDerWaalsContact O-N 3.13Å; N711-T714 PolarHBondContact O-N 3.04Å; N711-T714 PolarHBondContact O-OG1 2.8Å |
| 712 | G | 46.9 | Very low | 51.8 | Low | 50 Ų | 50 | 121.7 Ų | 121.7 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | 1.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I708 | I708-G712 WeakPolarHBondContact O-CA 3.33Å; I708-G712 PolarHBondContact O-N 3.38Å |
| 713 | L | 39.2 | Very low | 50 | Low | 130 Ų | 130 | 124.7 Ų | 124.7 | 68% | 0.681 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -3 | 169.2 | -106.8 | 165 | 0 | 0 | 0 | 112.9 | N711 | N711-L713 PolarHBondContact O-N 3.4Å; N711-L713 VanDerWaalsContact O-N 3.13Å |
| 714 | T | 38.3 | Very low | 47.8 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -109 | -3.8 | 178.1 | 42.1 | 0 | 0 | 0 | 0 | 114.8 | N711 | N711-T714 PolarHBondContact O-N 3.04Å; N711-T714 PolarHBondContact O-OG1 2.8Å |
| 715 | E | 35.4 | Very low | 46 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 81% | 0.808 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -102.8 | 9.1 | 177.5 | -67.5 | -176.9 | 146.5 | 0 | 0 | 114 | ||
| 716 | K | 34.5 | Very low | 44.3 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -117.1 | 26.1 | 179.1 | -122.3 | -177.5 | -176.6 | -171.8 | 0 | 114.6 | ||
| 717 | I | 33.8 | Very low | 42.2 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -139.7 | 68.5 | 174.2 | -48.5 | 176.6 | 0 | 0 | 0 | 107.8 | ||
| 718 | N | 30.6 | Very low | 40.2 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 92% | 0.92 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -169.8 | 49.6 | 169.6 | -98.5 | -20.9 | 0 | 0 | 0 | 111.4 | ||
| 719 | S | 30.9 | Very low | 38.2 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -136.2 | 165.2 | 160.8 | 59.5 | 0 | 0 | 0 | 0 | 107.6 | ||
| 720 | D | 32.1 | Very low | 36.2 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | trans | 67.3 | 53.7 | 175.8 | -41.4 | -28.3 | 0 | 0 | 0 | 114.3 | ||||
| 721 | S | 28.3 | Very low | 34.3 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -136.8 | 47 | 171.3 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 722 | F | 32.7 | Very low | 33.1 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -144.2 | 94.4 | 165.6 | -93.3 | -84.5 | 0 | 0 | 0 | 109 | ||||
| 723 | D | 35.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | -172.5 | 153.3 | 94.2 | -99.6 | -26.8 | 0 | 0 | 0 | 112.5 | |||||
| 724 | N | 31.2 | Very low | 31.9 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | -82.6 | 157.8 | 169.1 | -62.1 | -82.1 | 0 | 0 | 0 | 108.5 | ||||
| 725 | T | 34.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | -177.2 | 124.9 | 89 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 726 | L | 30.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | 49.5 | 140.7 | 150.5 | -94.7 | 65.7 | 0 | 0 | 0 | 124.8 | ||||
| 727 | T | 31.4 | Very low | 30.4 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | 89.3 | 120.9 | 137.5 | 42.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 728 | M | 29.7 | Very low | 29.9 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | trans | 44.9 | 108.5 | 141.9 | -64 | -65.6 | 174.1 | 0 | 0 | 119 | ||||
| 729 | K | 28.3 | Very low | 29.7 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | 78 | 137.5 | 54.8 | -170.9 | -170.8 | -176.1 | -177.4 | 0 | 112.4 | |||||
| 730 | Q | 30 | Very low | 29.5 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | 79.4 | 142.6 | -174.6 | -55.7 | -164.6 | -59.1 | 0 | 0 | 114.1 | ||||
| 731 | H | 28.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | cis | -157.5 | -179.3 | -19.3 | -136.1 | -124.2 | 0 | 0 | 0 | 110.1 | ||||
| 732 | Q | 30.9 | Very low | 29.1 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | 71.1 | 160.4 | 161.3 | -80.5 | 160.7 | -50.7 | 0 | 0 | 118.3 | ||||
| 733 | S | 25.9 | Very low | 28.8 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -135.1 | -159.6 | -162.4 | 62.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 734 | P | 35.1 | Very low | 28.4 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | trans | -101 | -158.5 | -133.3 | 34.8 | -15.6 | 0 | 0 | 0 | 113.3 | ||||
| 735 | F | 24.7 | Very low | 28.4 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | trans | 71.6 | 145.8 | -166.1 | -45.4 | -79.5 | 0 | 0 | 0 | 111.7 | ||||
| 736 | S | 27.9 | Very low | 28.1 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | cis | -135 | 175.2 | 14.8 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 737 | D | 24.5 | Very low | 27.9 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | -49.9 | 157.9 | 180 | -51.2 | -84.3 | 0 | 0 | 0 | 117.7 | ||||
| 738 | C | 24.8 | Very low | 27.9 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 70% | 0.703 | 75% | 0.751 | S | S | * | * | trans | 17.5 | 132.9 | 137.2 | -47.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 739 | Q | 26.3 | Very low | 27.9 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | -168.4 | -178.7 | 96.1 | -141.5 | 72 | -9.2 | 0 | 0 | 111.5 | |||||
| 740 | A | 25.7 | Very low | 27.6 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -28 | 156.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 741 | G | 26.5 | Very low | 27.5 | Very low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 75% | 0.751 | S | S | * | * | cis | 140.6 | -173.7 | -1.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 742 | I | 24.7 | Very low | 27.5 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 72.9 | 144.4 | 170.9 | -35.1 | 178.9 | 0 | 0 | 0 | 116.1 | ||||
| 743 | Y | 27.2 | Very low | 27.2 | Very low | 201 Ų | 201 | 125.4 Ų | 125.4 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | trans | 93.8 | 128.6 | 165.9 | -64.8 | -75.1 | 0 | 0 | 0 | 121.3 | ||||
| 744 | N | 27.8 | Very low | 27.4 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 73.9 | 97.1 | 144.9 | -71.4 | 10 | 0 | 0 | 0 | 122.9 | ||||
| 745 | S | 30.2 | Very low | 27.1 | Very low | 89 Ų | 89 | 125.7 Ų | 125.7 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | 64.5 | 125.3 | 114.6 | 70.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 746 | N | 28.5 | Very low | 27.3 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | 71.2 | 149.8 | 141.7 | -60.3 | -2.8 | 0 | 0 | 0 | 117.8 | ||||
| 747 | C | 28.4 | Very low | 27.4 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | cis | -152.7 | 144.8 | 8.5 | -132 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 748 | L | 30 | Very low | 27.5 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 43.5 | 140.4 | 146.1 | -57.9 | 167.9 | 0 | 0 | 0 | 120.9 | ||||
| 749 | S | 29.7 | Very low | 27.6 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -158.7 | 145.2 | -13.1 | 49.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 750 | V | 23.1 | Very low | 27.7 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | -127 | 143 | 65.9 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 751 | S | 27.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | -113.7 | 113.2 | 166.6 | -56 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 752 | A | 28.4 | Very low | 27.8 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | 88.1 | 120.1 | 62.2 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 753 | I | 25.1 | Very low | 28 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | trans | -104.5 | 116.9 | 162.5 | -62.2 | 177.9 | 0 | 0 | 0 | 106.9 | ||||
| 754 | S | 29.6 | Very low | 28 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -137.8 | 123.8 | 167.8 | 53.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 755 | T | 28.9 | Very low | 28 | Very low | 102 Ų | 102 | 122 Ų | 122 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | trans | -78.5 | 153.5 | -173.9 | 27.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 756 | L | 29.3 | Very low | 27.9 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | 64.7 | 108.8 | 164.4 | -62.3 | 161.1 | 0 | 0 | 0 | 116.6 | ||||
| 757 | D | 29.4 | Very low | 27.8 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | -127.9 | 157.4 | 125.1 | -141.7 | -23.2 | 0 | 0 | 0 | 108.4 | |||||
| 758 | A | 27.7 | Very low | 27.7 | Very low | 76 Ų | 76 | 122.5 Ų | 122.5 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | trans | -123.3 | 128.9 | -173 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 759 | D | 26.7 | Very low | 27.5 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | trans | -177 | 168.5 | 131 | -112.3 | -31.8 | 0 | 0 | 0 | 111.5 | ||||
| 760 | S | 27.1 | Very low | 27.3 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | trans | 60.1 | 117.7 | 149.3 | -176.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 761 | Q | 28.5 | Very low | 27.4 | Very low | 162 Ų | 162 | 120.3 Ų | 120.3 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | cis | -168.2 | 165.7 | 18.3 | -125.5 | 167.8 | 57.7 | 0 | 0 | 112 | ||||
| 762 | T | 27.1 | Very low | 27.3 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | trans | 5.2 | 140.1 | 140.9 | 57.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 763 | T | 28.3 | Very low | 27.2 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | cis | -176.7 | 165 | 18.3 | 11.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 764 | N | 27.9 | Very low | 27.3 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 63% | 0.631 | 72% | 0.721 | S | S | * | * | trans | 51.7 | 116.7 | 137.5 | -62.3 | -13.9 | 0 | 0 | 0 | 122 | ||||
| 765 | N | 26.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | 72.4 | 168.4 | 119.8 | -56.9 | -13.1 | 0 | 0 | 0 | 120.5 | |||||
| 766 | T | 28.4 | Very low | 27.3 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 67.9 | 97.7 | 161.4 | 25.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 767 | T | 26.3 | Very low | 27.2 | Very low | 115 Ų | 115 | 118.4 Ų | 118.4 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | 94.4 | 156.5 | 71.7 | -76.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 768 | T | 26.7 | Very low | 27.6 | Very low | 114 Ų | 114 | 117.7 Ų | 117.7 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | 61.6 | 96.3 | 173.1 | 37.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 769 | T | 25.2 | Very low | 27.7 | Very low | 116 Ų | 116 | 117.4 Ų | 117.4 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | 67.3 | 156.3 | 77.7 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 770 | V | 25.4 | Very low | 28 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | 73.5 | 127.6 | 157.6 | 169.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 771 | T | 25.2 | Very low | 28.1 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 66% | 0.656 | 70% | 0.704 | S | S | * | * | cis | -167 | -174 | -20.3 | 36.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 772 | T | 25.9 | Very low | 28.2 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | trans | 65.1 | 108 | 135.9 | 46.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 773 | S | 26.2 | Very low | 28.3 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | 80.6 | 146.6 | 112.4 | -53.9 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 774 | G | 27.7 | Very low | 28.3 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | 118.2 | 88.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 775 | S | 28.8 | Very low | 28.1 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | 43.5 | 122.7 | 58.4 | 76.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 776 | I | 29.6 | Very low | 28 | Very low | 146 Ų | 146 | 120.3 Ų | 120.3 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | -153.6 | 118.2 | 64.7 | -84.3 | 157.1 | 0 | 0 | 0 | 107.7 | |||||
| 777 | I | 27.4 | Very low | 27.9 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 62% | 0.621 | 71% | 0.708 | S | S | * | * | 66.4 | 117.4 | 97.6 | -61 | 163.9 | 0 | 0 | 0 | 114.9 | |||||
| 778 | N | 36.9 | Very low | 27.8 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | trans | -170.9 | 95.5 | 131.7 | -86.3 | -26.9 | 0 | 0 | 0 | 105.6 | ||||
| 779 | S | 30.2 | Very low | 27.8 | Very low | 70 Ų | 70 | 121 Ų | 121 | 49% | 0.49 | 72% | 0.715 | S | S | . | * | 56.9 | 128.5 | 56.3 | 78.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 780 | F | 32.5 | Very low | 27.9 | Very low | 167 Ų | 167 | 122 Ų | 122 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | cis | -128 | 160.6 | 16.2 | -76 | -92 | 0 | 0 | 0 | 110.5 | ||||
| 781 | E | 29.3 | Very low | 28.1 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 77% | 0.771 | 72% | 0.715 | S | S | * | * | 47.9 | 142 | 68.7 | -62.7 | -176.2 | 130.8 | 0 | 0 | 113.8 | |||||
| 782 | S | 31.5 | Very low | 28.3 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | cis | -131.8 | 163.1 | 19.3 | -141.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 783 | T | 27.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | cis | 69.6 | 68.9 | 27.9 | -48.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 784 | I | 28.1 | Very low | 28.7 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | trans | -150.4 | 116.9 | 154.4 | -65.5 | -169.7 | 0 | 0 | 0 | 104 | ||||
| 785 | V | 24.2 | Very low | 28.7 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | cis | 78.9 | 126.3 | 42.3 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 786 | T | 25.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | 62.6 | 156.3 | 173.1 | 42.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 787 | S | 25.2 | Very low | 28.6 | Very low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | cis | -172.8 | 142.5 | -12.9 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 788 | L | 24.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | 56 | 171.1 | 146.8 | -80.7 | 81.2 | 0 | 0 | 0 | 119.8 | ||||
| 789 | V | 27.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | trans | 70.4 | 103.5 | 166.8 | -167.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 790 | D | 27.4 | Very low | 28 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | 67.2 | 149 | 72.6 | -59.3 | -48.3 | 0 | 0 | 0 | 112.1 | |||||
| 791 | E | 28.9 | Very low | 27.9 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | cis | -159 | 145.6 | 4.6 | -138.5 | -172.6 | 141.3 | 0 | 0 | 110.8 | ||||
| 792 | S | 29.1 | Very low | 27.8 | Very low | 78 Ų | 78 | 124.6 Ų | 124.6 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | trans | 60.7 | 160.3 | 139.3 | 82.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 793 | N | 29.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | 62.2 | 136.7 | 147.8 | -58.5 | -36.1 | 0 | 0 | 0 | 120.2 | ||||
| 794 | G | 31.6 | Very low | 27.6 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | cis | -174.9 | 137.8 | -5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A796 | G794-A796 PolarHBondContact O-N 3.28Š| ||
| 795 | I | 27.2 | Very low | 27.5 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | 14.7 | 101.2 | 127.8 | -50.5 | 177 | 0 | 0 | 0 | 116.9 | V797 | I795-V797 HydrophobicContact CG2-CG2 3.97Š| |||
| 796 | A | 30.1 | Very low | 27.9 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | -155 | 122.6 | 139.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | G794 | G794-A796 PolarHBondContact O-N 3.28Š| ||
| 797 | V | 25.9 | Very low | 28.2 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 62% | 0.618 | 73% | 0.732 | S | S | * | * | cis | 70.2 | 139.8 | 41.5 | -168.1 | 0 | 0 | 0 | 0 | 112 | I795 | I795-V797 HydrophobicContact CG2-CG2 3.97Š| ||
| 798 | Y | 27.8 | Very low | 28.5 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | 77.7 | 142.9 | -175.1 | -58 | -75.8 | 0 | 0 | 0 | 116.3 | ||||
| 799 | H | 26.9 | Very low | 29.2 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | cis | -168.4 | -178.3 | -31.5 | -139.6 | -128.6 | 0 | 0 | 0 | 109.5 | ||||
| 800 | H | 28 | Very low | 29.3 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | 67.8 | 121 | 147.7 | -82.3 | -53.7 | 0 | 0 | 0 | 122.2 | ||||
| 801 | S | 29.4 | Very low | 29.4 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | trans | 80.7 | 118 | 130.2 | -58.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 802 | S | 26.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | 81.9 | 152.9 | 54.2 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 803 | S | 29.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 71.7 | 107.8 | -170.3 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 804 | Q | 26 | Very low | 29.5 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | cis | 44.8 | 94.1 | 43.2 | -92.5 | -146.8 | 62.3 | 0 | 0 | 112.5 | ||||
| 805 | L | 25.5 | Very low | 29.6 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | -178.1 | 158.7 | 108.2 | -95.4 | 157.2 | 0 | 0 | 0 | 112.3 | |||||
| 806 | S | 32.8 | Very low | 29.9 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -76 | 155.1 | 176.1 | 55 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 807 | P | 31.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -114.9 | 122.3 | 150.6 | 32.4 | -21.1 | 0 | 0 | 0 | 112.6 | ||||
| 808 | Y | 32.7 | Very low | 30.3 | Very low | 211 Ų | 211 | 140.5 Ų | 140.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | trans | -70.7 | 148.5 | 155.8 | -100.1 | -84.9 | 0 | 0 | 0 | 109.8 | ||||
| 809 | P | 38 | Very low | 30.6 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | -119 | 134 | 119.7 | -4.4 | 24.7 | 0 | 0 | 0 | 110 | |||||
| 810 | N | 29.9 | Very low | 30.8 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | 74.2 | 123.1 | 65.1 | -73.9 | -33.5 | 0 | 0 | 0 | 115.3 | |||||
| 811 | N | 29.9 | Very low | 31 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 96.8 | 122.1 | 135.3 | -73.3 | -11.8 | 0 | 0 | 0 | 123.7 | ||||
| 812 | L | 29.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | 95.9 | 111.5 | 137.1 | -66.6 | 159.4 | 0 | 0 | 0 | 122.2 | ||||
| 813 | L | 29.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 69.7 | 147.2 | 152.4 | -82.5 | 66 | 0 | 0 | 0 | 118.2 | ||||
| 814 | R | 29.4 | Very low | 31.6 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | cis | -149.8 | 137.3 | 8.4 | -142.1 | -168.8 | -172.1 | -137.5 | 1.7 | 113.2 | ||||
| 815 | H | 33.7 | Very low | 32 | Very low | 162 Ų | 162 | 130.7 Ų | 130.7 | 75% | 0.75 | 74% | 0.735 | S | S | * | * | trans | 66.4 | 139.5 | 159.8 | -60.6 | -14.7 | 0 | 0 | 0 | 119.8 | ||||
| 816 | G | 33.5 | Very low | 32.3 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -166.8 | -87.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 817 | I | 35.4 | Very low | 32.3 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 82% | 0.821 | 73% | 0.73 | S | S | * | * | trans | 72 | 128.6 | 177.5 | -60.9 | 174.2 | 0 | 0 | 0 | 113.4 | ||||
| 818 | N | 30.2 | Very low | 32.3 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | cis | -163.1 | 166.5 | -7.5 | -123.1 | -0.7 | 0 | 0 | 0 | 112 | ||||
| 819 | V | 32.9 | Very low | 32.3 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 66% | 0.661 | 72% | 0.718 | S | S | * | * | trans | 50.7 | 115.1 | 142.6 | 170.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 820 | S | 31.8 | Very low | 31.9 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | 70.4 | 156.4 | 53.8 | 87 | 0 | 0 | 0 | 0 | 114 | |||||
| 821 | S | 33 | Very low | 31.8 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 58% | 0.58 | 72% | 0.721 | S | S | * | * | cis | -164.3 | 164.9 | 18.6 | -15.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 822 | N | 32.9 | Very low | 31.7 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | 69.5 | 161.3 | 152.3 | -57 | -7.7 | 0 | 0 | 0 | 118.3 | ||||
| 823 | S | 31.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | cis | -177.2 | -179.5 | -26.4 | -168.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 824 | S | 33.9 | Very low | 31.8 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | cis | -162.6 | 174.3 | 14.9 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 825 | T | 34.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 72% | 0.715 | S | S | * | * | trans | 65.8 | 146.2 | 143.3 | 49.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 826 | V | 30.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 74% | 0.739 | 71% | 0.712 | S | S | * | * | cis | -170.3 | 154.4 | -25.2 | 82.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 827 | S | 33.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | 68.9 | 154.8 | 154.5 | 75.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 828 | N | 32.1 | Very low | 30.8 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | cis | -163 | 147.5 | -20.2 | -106 | -2.6 | 0 | 0 | 0 | 114.3 | ||||
| 829 | H | 33.2 | Very low | 30.8 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | trans | 53.4 | 116.1 | 140.5 | -69.1 | -50.2 | 0 | 0 | 0 | 126.4 | ||||
| 830 | N | 28.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 72% | 0.717 | S | S | * | * | 89.8 | 118.8 | 113.7 | -67.2 | 11.3 | 0 | 0 | 0 | 124.4 | |||||
| 831 | N | 29.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | 99.3 | 117.1 | 127.4 | -69.2 | 7.6 | 0 | 0 | 0 | 123.3 | |||||
| 832 | S | 27.3 | Very low | 30 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | 79.1 | 107.3 | 136.4 | -158.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 833 | F | 30 | Very low | 29.8 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | -175.7 | 167.9 | 112.3 | -99.6 | -67.1 | 0 | 0 | 0 | 110.8 | |||||
| 834 | D | 30 | Very low | 29.6 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | trans | -102.8 | 154.2 | -148.9 | -54.6 | -94 | 0 | 0 | 0 | 118.5 | ||||
| 835 | N | 27.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | trans | 59.6 | 156.3 | 142.8 | -67.8 | -26.1 | 0 | 0 | 0 | 120 | ||||
| 836 | I | 27.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | cis | -161.4 | 143.4 | -18.6 | -108.9 | 163.1 | 0 | 0 | 0 | 105 | ||||
| 837 | N | 29 | Very low | 28.7 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | cis | -151.7 | 138.9 | -24.4 | -106.7 | -5.4 | 0 | 0 | 0 | 106.4 | ||||
| 838 | N | 27.3 | Very low | 28.4 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 55% | 0.551 | 74% | 0.736 | S | S | * | * | trans | -159.5 | 102.5 | -177.8 | -130.8 | -24.3 | 0 | 0 | 0 | 112.1 | ||||
| 839 | L | 29.5 | Very low | 28.3 | Very low | 181 Ų | 181 | 131 Ų | 131 | 95% | 0.948 | 74% | 0.737 | S | S | * | * | trans | -169.5 | 145.1 | 153.4 | -133.1 | 72.4 | 0 | 0 | 0 | 110.9 | ||||
| 840 | S | 25.5 | Very low | 27.9 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | -110 | 118.6 | 180 | 57.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 841 | C | 24.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -171.9 | 142.2 | 147.5 | -109.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 842 | T | 31.5 | Very low | 27.6 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | trans | 13.9 | 133.7 | 157.1 | 56.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 843 | P | 29.5 | Very low | 27.5 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | -114.8 | 125.1 | 118.5 | 32.7 | -32.3 | 0 | 0 | 0 | 112.8 | |||||
| 844 | T | 27.7 | Very low | 27.7 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -74.8 | -179.3 | 155.4 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 845 | V | 27.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | 91.1 | 127.4 | 165.9 | -174.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 846 | C | 25.9 | Very low | 27.5 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | cis | -167.2 | -174.7 | -19.7 | -111.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 847 | Y | 26.7 | Very low | 27.4 | Very low | 208 Ų | 208 | 126.7 Ų | 126.7 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | 80.8 | 116.9 | 169.9 | -63 | -85.8 | 0 | 0 | 0 | 114.7 | ||||
| 848 | S | 26.2 | Very low | 27.2 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | 81.6 | 135.3 | 56.6 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 849 | S | 30.7 | Very low | 27.4 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -133.6 | 155 | 6.3 | -58.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 850 | V | 24.1 | Very low | 27.2 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | 40 | 97.2 | 73.7 | -170.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 851 | Q | 28 | Very low | 27.2 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -163.9 | 166.4 | 132.5 | -148.7 | 64.5 | -1.6 | 0 | 0 | 108.7 | ||||
| 852 | T | 24.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | -142.2 | 161.3 | -169.6 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 853 | C | 25.5 | Very low | 26.9 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | 73.1 | 170.7 | 164 | -58.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 854 | P | 33.7 | Very low | 26.8 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | -137 | 176.1 | -51.6 | 38.1 | -23.7 | 0 | 0 | 0 | 114.3 | |||||
| 855 | S | 26.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | 60.5 | 178.5 | 160.3 | 53.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 856 | V | 27.2 | Very low | 27 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | cis | -139.8 | 138.9 | 13.3 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 857 | N | 26.1 | Very low | 27.2 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | 30.8 | 147.3 | 153.4 | -59.8 | 19.1 | 0 | 0 | 0 | 126.4 | ||||
| 858 | E | 23.9 | Very low | 27.3 | Very low | 153 Ų | 153 | 127.7 Ų | 127.7 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | trans | 48.8 | 100.2 | 133 | -61.9 | 167.9 | 116.1 | 0 | 0 | 122.5 | ||||
| 859 | I | 31.4 | Very low | 27.3 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | -141.8 | 113.9 | 120.6 | -55 | -175.3 | 0 | 0 | 0 | 105.4 | |||||
| 860 | T | 25.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | 92.7 | 126.8 | 45.1 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 861 | I | 24.7 | Very low | 27.2 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -68.1 | 135.8 | -168.1 | -61.5 | 151.8 | 0 | 0 | 0 | 113.5 | ||||
| 862 | C | 25.3 | Very low | 27.1 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | -175 | 138 | 133 | -94.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 863 | S | 25.5 | Very low | 27.1 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 58% | 0.58 | 75% | 0.752 | S | S | * | * | cis | 90.1 | 140.2 | 24.2 | 99.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 864 | K | 27.9 | Very low | 27.2 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 80.2 | 111.1 | -174.9 | -57.5 | 166.1 | -174.8 | 171.4 | 0 | 113.9 | ||||
| 865 | L | 27.7 | Very low | 27.1 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | 88.5 | 157.2 | 72.1 | -100.6 | 77.4 | 0 | 0 | 0 | 112.6 | |||||
| 866 | P | 31.2 | Very low | 27.2 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -125.8 | -169.3 | 5.5 | 42.5 | -27.2 | 0 | 0 | 0 | 115.2 | ||||
| 867 | S | 30.1 | Very low | 27.1 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -121.6 | 133.6 | 174.6 | -50 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 868 | S | 27.6 | Very low | 27 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 172.1 | 150.8 | 164.7 | 43.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 869 | Q | 27.8 | Very low | 27.2 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | cis | -152.9 | 170.1 | -3.5 | -121.7 | -178.2 | 17.3 | 0 | 0 | 111 | ||||
| 870 | L | 26.1 | Very low | 27 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -2.9 | 154.4 | 143.4 | -55.8 | 169 | 0 | 0 | 0 | 118.1 | ||||
| 871 | V | 26 | Very low | 27.1 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | cis | -160 | 128.6 | 12.6 | 103.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 872 | A | 25 | Very low | 27.2 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | 70.6 | 146.2 | 96.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 873 | S | 25.3 | Very low | 27.1 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 72.3 | 154.7 | 173.2 | 92.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 874 | S | 27.2 | Very low | 27.1 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | cis | -144.7 | 161.1 | 2.6 | -70.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 875 | L | 31.2 | Very low | 27.1 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -81.5 | 146.9 | 160.7 | -81.8 | 150.1 | 0 | 0 | 0 | 110.2 | V877 | L875-V877 HydrophobicContact CB-CG2 4.49Š| ||
| 876 | P | 28 | Very low | 27.2 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -134.7 | 155.2 | 102.1 | 25.9 | -8.4 | 0 | 0 | 0 | 112.4 | |||||
| 877 | V | 24.7 | Very low | 27.1 | Very low | 112 Ų | 112 | 126 Ų | 126 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | cis | 90.2 | 100 | 30.8 | 179.6 | 0 | 0 | 0 | 0 | 114.3 | L875 | L875-V877 HydrophobicContact CB-CG2 4.49Š| ||
| 878 | C | 25.1 | Very low | 27.3 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | 65.3 | 165.4 | 160.3 | -57.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 879 | S | 27.1 | Very low | 27.5 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | cis | -153 | 167.5 | 15 | -40.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 880 | N | 28.6 | Very low | 27.7 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 71.9 | 138.3 | 158 | -56.7 | -27.5 | 0 | 0 | 0 | 117.9 | ||||
| 881 | N | 26 | Very low | 27.9 | Very low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | cis | 105.4 | 152.4 | 24.5 | -81.6 | -19.4 | 0 | 0 | 0 | 114.1 | ||||
| 882 | T | 27 | Very low | 28.2 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | trans | 68.6 | 121 | -167.5 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 883 | V | 24.1 | Very low | 28.4 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | cis | 86 | 107.4 | 22.4 | -172.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 884 | L | 25.9 | Very low | 28.7 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | 165.5 | 134.7 | 146.7 | -88.4 | 160.4 | 0 | 0 | 0 | 105.2 | ||||
| 885 | H | 27.6 | Very low | 29.1 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | cis | 127.9 | 171.7 | 12.9 | -174.5 | -103.3 | 0 | 0 | 0 | 107.8 | ||||
| 886 | V | 29.9 | Very low | 29.4 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 62% | 0.624 | 74% | 0.743 | S | S | * | * | trans | 95.3 | 81.2 | 167.8 | -169.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 887 | T | 28.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 63% | 0.632 | 74% | 0.744 | S | S | * | * | 64.6 | 167.9 | 127.8 | 68.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 888 | H | 35.1 | Very low | 30.2 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | cis | -154.3 | 155.8 | 17.6 | -114.7 | -61.3 | 0 | 0 | 0 | 113.8 | ||||
| 889 | Q | 31.8 | Very low | 30.9 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | 65.2 | 148.5 | 149 | -74.7 | 165.6 | -19.3 | 0 | 0 | 120.1 | ||||
| 890 | S | 31.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | -152.8 | 170.4 | -0.7 | -99.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 891 | V | 29 | Very low | 31.9 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -124.6 | 167.5 | -171.1 | -138.7 | 0 | 0 | 0 | 0 | 112.8 | I893 | V891-I893 HydrophobicContact CB-CD1 4.44Å; V891-I893 HydrophobicContact CB-CG1 4.39Å; V891-I893 HydrophobicContact CG1-CG1 4.21Å | ||
| 892 | P | 33.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | -138 | 144.9 | 87.9 | 29.4 | -10.4 | 0 | 0 | 0 | 114.2 | |||||
| 893 | I | 28.3 | Very low | 33.4 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | 67.8 | 112.8 | 62.3 | -55.2 | 161.6 | 0 | 0 | 0 | 110.6 | V891 | V891-I893 HydrophobicContact CB-CD1 4.44Å; V891-I893 HydrophobicContact CB-CG1 4.39Å; V891-I893 HydrophobicContact CG1-CG1 4.21Å | |||
| 894 | M | 31 | Very low | 34.3 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 85% | 0.847 | 69% | 0.691 | S | S | * | * | -156.5 | 162.2 | 72.2 | -72.4 | 171.1 | 61.8 | 0 | 0 | 111.1 | |||||
| 895 | S | 35.6 | Very low | 35.1 | Very low | 81 Ų | 81 | 122 Ų | 122 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | cis | -168.1 | 156.9 | -16.1 | 49.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 896 | N | 38.6 | Very low | 35.7 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | trans | 87.4 | 119.7 | 172.6 | -51.4 | -6.3 | 0 | 0 | 0 | 116.3 | ||||
| 897 | G | 31.5 | Very low | 35.7 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | cis | 165.5 | 90.4 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 898 | I | 37.6 | Very low | 35.9 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 77% | 0.774 | 69% | 0.692 | S | S | * | * | trans | -125.5 | 141.6 | 162.4 | -65.1 | 177.9 | 0 | 0 | 0 | 106.9 | D902 | I898-D902 HydrophobicContact CG2-CB 4.39Š| ||
| 899 | T | 40.1 | Very low | 35.8 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 47% | 0.466 | 69% | 0.693 | S | S | . | * | trans | -90.8 | 153.2 | -162.8 | 85.2 | 0 | 0 | 0 | 0 | 112.9 | S901 D902 | T899-S901 PolarHBondContact O-N 2.96Å; T899-S901 VanDerWaalsContact OG1-CB 3.28Å; T899-S901 WeakPolarHBondContact OG1-CB 3.31Å; T899-S901 PolarHBondContact OG1-N 2.93Å; T899-D902 WeakPolarHBondContact CA-OD2 3.45Å; T899-D902 WeakPolarHBondContact CB-OD2 3.47Å; T899-D902 PolarHBondContact N-OD2 2.89Å; T899-D902 WeakPolarHBondContact O-CB 3.45Å; T899-D902 PolarHBondContact O-N 3.26Å; T899-D902 VanDerWaalsContact O-N 3.08Å; T899-D902 VanDerWaalsContact OG1-CG 3.31Å; T899-D902 PolarHBondContact OG1-OD2 3.27Å | ||
| 900 | V | 34.7 | Very low | 35.8 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65 | -19.8 | 172.8 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | D902 L903 L904 | V900-D902 PolarHBondContact O-N 2.73Å; V900-L903 PolarHBondContact O-N 2.85Å; V900-L904 VanDerWaalsContact O-CB 3.25Å; V900-L904 WeakPolarHBondContact O-CB 3.17Å; V900-L904 PolarHBondContact O-N 3.36Å |
| 901 | S | 42.4 | Very low | 35.6 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 46% | 0.462 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -62.8 | -31.2 | 172.4 | -158 | 0 | 0 | 0 | 0 | 112.5 | T899 K905 | T899-S901 PolarHBondContact O-N 2.96Å; T899-S901 VanDerWaalsContact OG1-CB 3.28Å; T899-S901 WeakPolarHBondContact OG1-CB 3.31Å; T899-S901 PolarHBondContact OG1-N 2.93Å; S901-K905 WeakPolarHBondContact O-CG 3.43Å |
| 902 | D | 44.5 | Very low | 35.7 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 43% | 0.433 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -79 | -33.4 | -176.5 | -52.3 | -54.4 | 0 | 0 | 0 | 111.6 | I898 T899 V900 | I898-D902 HydrophobicContact CG2-CB 4.39Å; T899-D902 WeakPolarHBondContact CA-OD2 3.45Å; T899-D902 WeakPolarHBondContact CB-OD2 3.47Å; T899-D902 PolarHBondContact N-OD2 2.89Å; T899-D902 WeakPolarHBondContact O-CB 3.45Å; T899-D902 PolarHBondContact O-N 3.26Å; T899-D902 VanDerWaalsContact O-N 3.08Å; T899-D902 VanDerWaalsContact OG1-CG 3.31Å; T899-D902 PolarHBondContact OG1-OD2 3.27Å; V900-D902 PolarHBondContact O-N 2.73Å |
| 903 | L | 40.5 | Very low | 35.6 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -81.7 | -31.2 | 174.5 | -76.5 | 166.5 | 0 | 0 | 0 | 113.1 | V900 K905 | V900-L903 PolarHBondContact O-N 2.85Å; L903-K905 PolarHBondContact O-N 2.93Å |
| 904 | L | 42.6 | Very low | 35.5 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 65% | 0.654 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -82 | -10.2 | -175.9 | -153.7 | 69.2 | 0 | 0 | 0 | 114 | V900 L906 | V900-L904 VanDerWaalsContact O-CB 3.25Å; V900-L904 WeakPolarHBondContact O-CB 3.17Å; V900-L904 PolarHBondContact O-N 3.36Å; L904-L906 VanDerWaalsContact C-N 3.31Å |
| 905 | K | 43 | Very low | 35.4 | Very low | 161 Ų | 161 | 123.6 Ų | 123.6 | 70% | 0.7 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -8.7 | 171.9 | -77.7 | 172.7 | -177 | 170.4 | 0 | 114.3 | S901 L903 | S901-K905 WeakPolarHBondContact O-CG 3.43Å; L903-K905 PolarHBondContact O-N 2.93Å |
| 906 | L | 40 | Very low | 35.3 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 2 | -170.2 | -110.7 | 160.1 | 0 | 0 | 0 | 114.6 | L904 | L904-L906 VanDerWaalsContact C-N 3.31Š|
| 907 | F | 30.5 | Very low | 34.9 | Very low | 196 Ų | 196 | 122.4 Ų | 122.4 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -142.6 | 21.2 | -168.1 | -124.1 | -87.8 | 0 | 0 | 0 | 117.3 | ||
| 908 | T | 32.9 | Very low | 34.9 | Very low | 101 Ų | 101 | 123 Ų | 123 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -137.2 | 112.7 | -179.2 | 25.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 909 | T | 31.3 | Very low | 34.6 | Very low | 115 Ų | 115 | 123.1 Ų | 123.1 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | 43.9 | 114.4 | 140 | 57.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 910 | Q | 32.3 | Very low | 34 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | -166.5 | 141.4 | 63.9 | -74.9 | -60.8 | 34.5 | 0 | 0 | 109.7 | |||||
| 911 | L | 27.6 | Very low | 34 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | 44.2 | 105.1 | 87.3 | -69 | 178.9 | 0 | 0 | 0 | 115.4 | |||||
| 912 | T | 30.9 | Very low | 33.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | 171.8 | 152.5 | 104.7 | 35.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 913 | N | 31.6 | Very low | 32.5 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 55.3 | 120.5 | 156.5 | -55.7 | -25.8 | 0 | 0 | 0 | 119.6 | ||||
| 914 | N | 27.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | cis | 85.8 | 135.1 | 49.5 | -79.8 | -30.8 | 0 | 0 | 0 | 116.2 | ||||
| 915 | S | 28.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 73% | 0.732 | S | S | * | * | trans | 92.7 | 149.2 | 155.2 | -150.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 916 | G | 32.4 | Very low | 30.9 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | trans | 101.4 | 102.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 917 | N | 29.6 | Very low | 30.5 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | 56.5 | 133.5 | 62.5 | -68.8 | -11.7 | 0 | 0 | 0 | 113.6 | |||||
| 918 | S | 31.5 | Very low | 30.6 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -172.5 | -177.7 | -0.1 | 44.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 919 | N | 32.2 | Very low | 30.6 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 81.6 | 96 | 154.5 | -57.5 | -19.9 | 0 | 0 | 0 | 121.4 | ||||
| 920 | K | 28.4 | Very low | 30.5 | Very low | 194 Ų | 194 | 129.5 Ų | 129.5 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | -46.6 | 179.4 | 129 | -88.8 | -176.7 | 173.1 | -179 | 0 | 112.9 | |||||
| 921 | P | 33.8 | Very low | 30.6 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | cis | -136.8 | -131.1 | -41 | 41.7 | -23.2 | 0 | 0 | 0 | 111.1 | ||||
| 922 | V | 28.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 61% | 0.606 | 73% | 0.726 | S | S | * | * | trans | 91.8 | 113.9 | 168.7 | -174.8 | 0 | 0 | 0 | 0 | 114.3 | F924 | V922-F924 HydrophobicContact CG1-CD2 3.91Å; V922-F924 HydrophobicContact CG1-CE2 3.87Å | ||
| 923 | I | 26.8 | Very low | 30.8 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | cis | 91.7 | 152.5 | 49.9 | -58.8 | 157 | 0 | 0 | 0 | 112.5 | ||||
| 924 | F | 31.3 | Very low | 30.7 | Very low | 166 Ų | 166 | 125.6 Ų | 125.6 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | trans | 98.4 | 134.7 | 166.1 | -60.4 | -69.7 | 0 | 0 | 0 | 117.6 | V922 | V922-F924 HydrophobicContact CG1-CD2 3.91Å; V922-F924 HydrophobicContact CG1-CE2 3.87Å | ||
| 925 | D | 28 | Very low | 31 | Very low | 135 Ų | 135 | 129 Ų | 129 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | cis | -164.5 | -177.5 | -20.9 | -149.9 | -7.6 | 0 | 0 | 0 | 112.9 | ||||
| 926 | S | 33.1 | Very low | 31.1 | Very low | 96 Ų | 96 | 127 Ų | 127 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | trans | 86.8 | 133.2 | 156.1 | 75 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 927 | T | 32.4 | Very low | 31 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 71% | 0.711 | S | S | * | * | cis | -154.2 | 164.6 | -4.2 | 1.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 928 | L | 31.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | trans | -6.2 | 150.6 | 151.4 | -86.5 | 59.4 | 0 | 0 | 0 | 118.7 | ||||
| 929 | D | 32.9 | Very low | 31 | Very low | 127 Ų | 127 | 131 Ų | 131 | 68% | 0.679 | 71% | 0.711 | S | S | * | * | cis | -143.6 | 139.1 | 19.2 | -95.9 | -47.4 | 0 | 0 | 0 | 109.9 | ||||
| 930 | N | 30.6 | Very low | 30.9 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | 89.2 | 146.5 | 63.1 | -97.9 | -39.3 | 0 | 0 | 0 | 116.3 | |||||
| 931 | N | 32.8 | Very low | 31 | Very low | 122 Ų | 122 | 127 Ų | 127 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | trans | 72.6 | 112.1 | 158.3 | -61.8 | -37.1 | 0 | 0 | 0 | 120.9 | ||||
| 932 | N | 30.8 | Very low | 30.8 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | 73.1 | 143.9 | 132.6 | -61.4 | -21.9 | 0 | 0 | 0 | 119.6 | ||||
| 933 | S | 32.3 | Very low | 30.8 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | cis | -162.1 | 131.7 | -10.2 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 934 | S | 30.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | 62.3 | 149.7 | 128.5 | -49.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 935 | Y | 32.6 | Very low | 30.8 | Very low | 223 Ų | 223 | 128 Ų | 128 | 88% | 0.875 | 71% | 0.714 | S | S | * | * | trans | 69.7 | 146.1 | 168.3 | -60.3 | -87.3 | 0 | 0 | 0 | 118.3 | ||||
| 936 | S | 30.3 | Very low | 31.1 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | cis | -176.7 | 148.7 | -25 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 937 | S | 32.1 | Very low | 30.8 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | 60.7 | 151.5 | 151.4 | 48.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 938 | K | 32.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 125.9 Ų | 125.9 | 81% | 0.809 | 72% | 0.716 | S | S | * | * | cis | -146.8 | 133.4 | -10.8 | -106.7 | 154.9 | -179.9 | 178.6 | 0 | 104.7 | ||||
| 939 | V | 28.4 | Very low | 30.5 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 67% | 0.667 | 72% | 0.723 | S | S | * | * | 67.9 | 104.4 | 66.7 | 168.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 940 | Q | 28.8 | Very low | 30.3 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | 52.9 | 164.1 | 158.6 | -75 | 93.1 | -70.6 | 0 | 0 | 118.2 | ||||
| 941 | S | 31.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | cis | -149.4 | 138.7 | 19.8 | -26.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 942 | T | 28.1 | Very low | 30.2 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | 94.7 | 133.5 | 62.7 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 943 | I | 30.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | trans | 75.7 | 145.1 | 164.1 | -83.2 | 163.3 | 0 | 0 | 0 | 118.4 | ||||
| 944 | T | 27.9 | Very low | 30.3 | Very low | 103 Ų | 103 | 127 Ų | 127 | 63% | 0.632 | 73% | 0.725 | S | S | * | * | cis | -173 | 123.7 | -34.4 | -91.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 945 | L | 28.5 | Very low | 30.5 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | trans | 57.1 | -179 | 159.1 | -62.6 | 170.6 | 0 | 0 | 0 | 117.3 | ||||
| 946 | P | 34.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | -135 | -173.4 | -69.3 | 42.1 | -27.6 | 0 | 0 | 0 | 115.1 | |||||
| 947 | C | 27.5 | Very low | 31 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | trans | 87.9 | 136.5 | 154.8 | -69.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 948 | A | 29.8 | Very low | 31.2 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | 66 | 120.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 949 | L | 27.4 | Very low | 31.5 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | 45.9 | 136.4 | 126.7 | -55.6 | 169.9 | 0 | 0 | 0 | 119 | |||||
| 950 | N | 28.9 | Very low | 32 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | cis | -162.2 | 158.4 | 28.1 | -145.6 | -9.4 | 0 | 0 | 0 | 114.6 | ||||
| 951 | A | 30.7 | Very low | 32.3 | Very low | 79 Ų | 79 | 116.4 Ų | 116.4 | 65% | 0.653 | 66% | 0.664 | S | S | * | * | trans | 34.1 | 142.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 952 | S | 30 | Very low | 32.4 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | trans | 75.5 | 134.2 | 133.4 | 168.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 953 | K | 34.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 118 Ų | 118 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | cis | -170.4 | 150.3 | 9.5 | -111.4 | 168.5 | -153.3 | 160.6 | 0 | 112.8 | ||||
| 954 | N | 31.4 | Very low | 32.7 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 67% | 0.668 | 65% | 0.654 | S | S | * | * | trans | 52.8 | 168.8 | 135 | -65.6 | 10.6 | 0 | 0 | 0 | 123.6 | ||||
| 955 | A | 34.9 | Very low | 33.1 | Very low | 25 Ų | 25 | 120.7 Ų | 120.7 | 21% | 0.207 | 66% | 0.663 | C | S | . | * | cis | -175.5 | -164.8 | -22.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A14 N1127 S1128 | A14-A955 HydrophobicContact CB-CB 3.96Å; A955-N1127 WeakPolarHBondContact CA-OD1 3.5Å; A955-N1127 CarbonylContact O-C 3.29Å; A955-N1127 VanDerWaalsContact O-CA 3.23Å; A955-N1127 WeakPolarHBondContact O-CA 3.22Å; A955-S1128 PolarHBondContact O-N 2.88Å | ||
| 956 | T | 36.4 | Very low | 33.5 | Very low | 74 Ų | 74 | 116.1 Ų | 116.1 | 45% | 0.454 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 104.4 | -179.9 | -179.9 | 75.1 | 0 | 0 | 0 | 0 | 115.4 | S13 L1125 T1126 N1127 S1128 | S13-T956 PolarHBondContact O-N 3.08Å; T956-L1125 CarbonylContact O-C 3.56Å; T956-T1126 CarbonylContact O-C 3.5Å; T956-T1126 WeakPolarHBondContact O-CA 3.41Å; T956-T1126 PolarHBondContact O-N 3.09Å; T956-N1127 WeakPolarHBondContact O-CA 3.41Å; T956-N1127 WeakPolarHBondContact O-CB 3.36Å; T956-N1127 PolarHBondContact O-N 3.47Å; T956-N1127 WeakPolarHBondContact OG1-CA 3.24Å; T956-N1127 PolarHBondContact OG1-N 2.91Å; T956-S1128 PolarHBondContact OG1-N 3.47Å |
| 957 | N | 35.3 | Very low | 33.4 | Very low | 100 Ų | 100 | 119.5 Ų | 119.5 | 54% | 0.535 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | cis | 129.6 | 86.8 | 1.7 | 42.3 | -85.3 | 0 | 0 | 0 | 119.6 | L1124 L1125 T1126 | N957-L1124 PolarHBondContact OD1-O 3.09Å; N957-L1125 CarbonylContact C-O 3.51Å; N957-L1125 VanDerWaalsContact C-O 3.23Å; N957-L1125 WeakPolarHBondContact CA-O 3.42Å; N957-L1125 WeakPolarHBondContact CB-O 3.45Å; N957-L1125 PolarHBondContact N-O 3.36Å; N957-T1126 CarbonylContact C-O 3.35Å; N957-T1126 WeakPolarHBondContact CA-O 3.34Å; N957-T1126 VanDerWaalsContact N-CA 3.27Å; N957-T1126 PolarHBondContact N-O 3.39Å; N957-T1126 VanDerWaalsContact O-O 3.08Å |
| 958 | N | 37.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 44% | 0.439 | 67% | 0.667 | S | S | . | * | cis | -166.3 | 164.1 | 2.3 | -153.6 | -5.1 | 0 | 0 | 0 | 118.5 | P1123 L1124 L1125 T1126 | N958-P1123 PolarHBondContact ND2-O 3.29Å; N958-L1124 WeakPolarHBondContact OD1-CB 3.2Å; N958-L1125 WeakPolarHBondContact CA-O 3.25Å; N958-L1125 WeakPolarHBondContact CB-O 3.45Å; N958-L1125 PolarHBondContact N-O 3.1Å; N958-L1125 VanDerWaalsContact N-O 3.13Å; N958-L1125 PolarHBondContact OD1-N 2.8Å; N958-T1126 VanDerWaalsContact CA-OG1 3.26Å; N958-T1126 WeakPolarHBondContact CA-OG1 3.43Å; N958-T1126 PolarHBondContact N-O 3.17Å | ||
| 959 | K | 37.4 | Very low | 33.9 | Very low | 164 Ų | 164 | 122 Ų | 122 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | trans | -86.4 | 153.6 | -179.1 | -101.2 | -169.7 | 178.5 | -174.7 | 0 | 116.6 | ||||
| 960 | Q | 39.9 | Very low | 34.1 | Very low | 176 Ų | 176 | 121.7 Ų | 121.7 | 82% | 0.822 | 66% | 0.663 | S | S | * | * | trans | -155.9 | 145.7 | 172.3 | -72.9 | -159.4 | 14.9 | 0 | 0 | 121 | ||||
| 961 | N | 35 | Very low | 34.2 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 56% | 0.556 | 67% | 0.665 | S | S | * | * | 60.2 | 124.1 | 126.3 | -62.6 | -19.1 | 0 | 0 | 0 | 130.4 | |||||
| 962 | I | 32.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 121 Ų | 121 | 61% | 0.61 | 65% | 0.654 | S | S | * | * | 82.9 | 128 | 112.5 | -66.3 | 172.7 | 0 | 0 | 0 | 126.5 | |||||
| 963 | L | 30.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | trans | 72.4 | 151.4 | 146 | -86.6 | 168.3 | 0 | 0 | 0 | 128.8 | ||||
| 964 | F | 35.8 | Very low | 34.1 | Very low | 162 Ų | 162 | 121.6 Ų | 121.6 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | 89.8 | 128.2 | 149.7 | -73.8 | -58.4 | 0 | 0 | 0 | 124.9 | ||||
| 965 | N | 35.8 | Very low | 34.3 | Very low | 154 Ų | 154 | 119.9 Ų | 119.9 | 82% | 0.824 | 67% | 0.666 | S | S | * | * | trans | 44.8 | 153.7 | 146.8 | -57 | -10.7 | 0 | 0 | 0 | 122.1 | ||||
| 966 | G | 35.6 | Very low | 34.3 | Very low | 63 Ų | 63 | 123.3 Ų | 123.3 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | cis | 140.5 | 91.3 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 967 | N | 33 | Very low | 33.9 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 94% | 0.936 | 71% | 0.705 | S | S | * | * | trans | 152.7 | 152.3 | 148.4 | -81.7 | -30.3 | 0 | 0 | 0 | 115 | ||||
| 968 | L | 33.3 | Very low | 33.7 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -72.8 | 177.6 | 171.2 | -105.8 | 71.2 | 0 | 0 | 0 | 112.3 | ||||
| 969 | P | 34.8 | Very low | 33.5 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | cis | -140.9 | 170.4 | 24.3 | 34.6 | -11.7 | 0 | 0 | 0 | 119 | ||||
| 970 | L | 32.5 | Very low | 33.5 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | 31.6 | 134.2 | 143.9 | -54.9 | 172.2 | 0 | 0 | 0 | 119.1 | ||||
| 971 | L | 30.5 | Very low | 32.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | cis | -151.3 | -178.7 | 20.2 | -143.5 | 67 | 0 | 0 | 0 | 107 | ||||
| 972 | A | 31.6 | Very low | 32.7 | Very low | 52 Ų | 52 | 125.8 Ų | 125.8 | 43% | 0.43 | 72% | 0.724 | S | S | . | * | cis | -154.7 | -163.6 | 6.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S974 | A972-S974 VanDerWaalsContact O-CA 3.32Å; A972-S974 WeakPolarHBondContact O-CA 3.44Å; A972-S974 PolarHBondContact O-N 3.24Å; A972-S974 VanDerWaalsContact O-N 3.15Å | ||
| 973 | N | 29.2 | Very low | 32.6 | Very low | 165 Ų | 165 | 125 Ų | 125 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 10.6 | 82.7 | 158.5 | -63.9 | 17.5 | 0 | 0 | 0 | 117.4 | ||
| 974 | S | 32.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 124.7 Ų | 124.7 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -169.7 | 104.5 | -21.9 | 40 | 0 | 0 | 0 | 0 | 107.9 | A972 | A972-S974 VanDerWaalsContact O-CA 3.32Å; A972-S974 WeakPolarHBondContact O-CA 3.44Å; A972-S974 PolarHBondContact O-N 3.24Å; A972-S974 VanDerWaalsContact O-N 3.15Å |
| 975 | S | 36.6 | Very low | 32.3 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | cis | -161.8 | 139.3 | -5.5 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 976 | S | 32.9 | Very low | 32.1 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | 45.6 | 108.9 | 156.7 | 55.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 977 | I | 29.6 | Very low | 31.7 | Very low | 155 Ų | 155 | 125 Ų | 125 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | 98.9 | 131.6 | 62.7 | -80 | 163 | 0 | 0 | 0 | 113.4 | |||||
| 978 | S | 30.4 | Very low | 31.6 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 61.3 | 138.9 | 160.2 | 65.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 979 | S | 33.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -66.9 | -172.5 | 152.1 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 980 | P | 37.1 | Very low | 31.3 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | -138.2 | -159.6 | 6.1 | 25.2 | 3.2 | 0 | 0 | 0 | 115.2 | ||||
| 981 | Y | 28.5 | Very low | 31.3 | Very low | 212 Ų | 212 | 124.5 Ų | 124.5 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | trans | 88.9 | 137.8 | 159.2 | -71.9 | -73.6 | 0 | 0 | 0 | 123.1 | ||||
| 982 | S | 29.4 | Very low | 31.2 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 51% | 0.51 | 69% | 0.692 | S | S | . | * | trans | 72.2 | 109.5 | 139.1 | -74.4 | 0 | 0 | 0 | 0 | 125 | ||||
| 983 | V | 31.1 | Very low | 31.2 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 62% | 0.618 | 71% | 0.713 | S | S | * | * | 72.6 | 108.1 | 117.1 | 176.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 984 | N | 30.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | trans | 51.9 | 136.5 | 135.5 | -59.4 | -13.4 | 0 | 0 | 0 | 123.3 | ||||
| 985 | N | 30.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | 33.5 | 130.2 | 128.5 | -41.3 | -22.3 | 0 | 0 | 0 | 118.4 | |||||
| 986 | T | 30.3 | Very low | 31.3 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | -162.4 | 136.2 | 60.4 | 32.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 987 | V | 29.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | 72.5 | 150.2 | 107.2 | -171.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 988 | I | 29.9 | Very low | 31.3 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 80% | 0.8 | 70% | 0.704 | S | S | * | * | trans | 77.2 | 130.8 | 179.1 | -46.8 | -175 | 0 | 0 | 0 | 113.2 | ||||
| 989 | K | 30.7 | Very low | 31.5 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | cis | -171.4 | 168.9 | -30.2 | -131.8 | 178.8 | 171.9 | -161.9 | 0 | 109.2 | ||||
| 990 | Q | 30.5 | Very low | 31.2 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 63% | 0.631 | 70% | 0.704 | S | S | * | * | trans | 77.2 | 121.7 | 149.1 | -79.2 | -179.6 | -115.9 | 0 | 0 | 121.4 | ||||
| 991 | D | 32.8 | Very low | 31.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | 86 | 99.8 | 127.8 | -50.2 | -10.1 | 0 | 0 | 0 | 121.6 | |||||
| 992 | D | 29.5 | Very low | 31.2 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | trans | 35.9 | 116.1 | 136.9 | -61.8 | -44.6 | 0 | 0 | 0 | 121.9 | ||||
| 993 | C | 31.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | -164.7 | 156.4 | 108.3 | -107.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 994 | A | 31.3 | Very low | 31.5 | Very low | 60 Ų | 60 | 134.6 Ų | 134.6 | 50% | 0.496 | 73% | 0.726 | S | S | . | * | trans | -87.2 | 156.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 995 | P | 35.8 | Very low | 31.5 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | -150.7 | 154.8 | 119.5 | 37.8 | -20.9 | 0 | 0 | 0 | 117.3 | |||||
| 996 | I | 32.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 134 Ų | 134 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | 54.6 | 112.3 | 129.6 | -58.2 | 173.2 | 0 | 0 | 0 | 120.7 | |||||
| 997 | Y | 30.8 | Very low | 31.8 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | 40.9 | 121 | 129.7 | -97.6 | -101.4 | 0 | 0 | 0 | 123.5 | |||||
| 998 | T | 32.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | trans | 72.8 | 151.9 | 140.1 | 40.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 999 | P | 33.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 73% | 0.728 | S | S | * | * | trans | -114.5 | 161.3 | -173 | 41.8 | -31.4 | 0 | 0 | 0 | 114.7 | ||||
| 1000 | L | 28.5 | Very low | 32.5 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -169.2 | 125.6 | 138.3 | -134.7 | 72.9 | 0 | 0 | 0 | 112.9 | ||||
| 1001 | E | 33.8 | Very low | 32.6 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -136 | 114 | 148.2 | -71.8 | -170.6 | 146 | 0 | 0 | 105.2 | ||||
| 1002 | T | 31 | Very low | 32.6 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 55% | 0.546 | 74% | 0.736 | S | S | . | * | cis | 80.4 | 94.5 | 35.4 | -45.5 | 0 | 0 | 0 | 0 | 112.4 | I1004 | T1002-I1004 HydrophobicContact CG2-CD1 4.3Å; T1002-I1004 HydrophobicContact CG2-CG1 3.82Å | ||
| 1003 | I | 32.7 | Very low | 32.8 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | trans | -107.7 | 137.5 | 160.4 | -63.9 | 179 | 0 | 0 | 0 | 107 | ||||
| 1004 | I | 34.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | -106.8 | 120.5 | -155.3 | -70.2 | -179.6 | 0 | 0 | 0 | 112.9 | T1002 | T1002-I1004 HydrophobicContact CG2-CD1 4.3Å; T1002-I1004 HydrophobicContact CG2-CG1 3.82Å | ||
| 1005 | T | 29.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 29.3 | 140 | 152.2 | 66.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1006 | T | 32.6 | Very low | 32.6 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | -138.1 | 115.8 | 124.9 | 15.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1007 | T | 36 | Very low | 32.6 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | trans | 34.1 | 107.4 | 147.2 | 54.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1008 | T | 34.5 | Very low | 32.7 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | 72.5 | 148.3 | 67.7 | 65.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1009 | P | 36.5 | Very low | 32.4 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | cis | -141.4 | 167.5 | 15.7 | 42.6 | -24.6 | 0 | 0 | 0 | 119.7 | ||||
| 1010 | A | 32.3 | Very low | 32.2 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | 80.5 | 153.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1011 | M | 33.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 136 Ų | 136 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 67.6 | 116.6 | 174.2 | -47.6 | -53.2 | 177.4 | 0 | 0 | 118.1 | ||||
| 1012 | T | 33.2 | Very low | 32.5 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | cis | 165.5 | 144.9 | -33.8 | 36.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1013 | N | 32.6 | Very low | 32.6 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 76.7 | 154.4 | 167.2 | -52.2 | -9.6 | 0 | 0 | 0 | 118.1 | ||||
| 1014 | E | 31.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -179.1 | 112.7 | -47.1 | -100.8 | -95.9 | 121.5 | 0 | 0 | 109.3 | ||||
| 1015 | F | 29.7 | Very low | 32.4 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 54.1 | -174.4 | 165.2 | -72.6 | -83.8 | 0 | 0 | 0 | 118.2 | ||||
| 1016 | P | 33.7 | Very low | 32.5 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | -115.7 | 164 | -51.3 | 34.6 | -23.9 | 0 | 0 | 0 | 112.7 | |||||
| 1017 | M | 32.6 | Very low | 32.6 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | -86.2 | 123.1 | 167.2 | -87.5 | -64.9 | -65.1 | 0 | 0 | 111.6 | ||||
| 1018 | P | 34.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -88.9 | 172.6 | -177.4 | 35.8 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 1019 | I | 25.9 | Very low | 32.4 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | -110.1 | 138.3 | 173.6 | -55.6 | 163.4 | 0 | 0 | 0 | 107.4 | ||||
| 1020 | L | 28.8 | Very low | 32.4 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 172.9 | 166 | 136.2 | -94.4 | 162.1 | 0 | 0 | 0 | 113.3 | ||||
| 1021 | S | 31.3 | Very low | 32.5 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -109.1 | 154.1 | -177 | -41.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1022 | P | 36.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | trans | -102.2 | 168.9 | 163.5 | 35.9 | -29.2 | 0 | 0 | 0 | 113.2 | ||||
| 1023 | S | 32.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 57% | 0.573 | 76% | 0.756 | S | S | * | * | trans | -132.4 | 165.6 | 178.8 | -74 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1024 | I | 30.2 | Very low | 32.9 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -78.5 | 144.4 | -168.1 | -60 | 165.2 | 0 | 0 | 0 | 113.1 | ||||
| 1025 | I | 33.4 | Very low | 33.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 65% | 0.651 | 76% | 0.756 | S | S | * | * | trans | -132.1 | 146.3 | 159.4 | -47.3 | -178.5 | 0 | 0 | 0 | 109.1 | I368 | I368-I1025 HydrophobicContact CD1-CD1 4.08Å; I368-I1025 HydrophobicContact CD1-CG1 3.81Å; I368-I1025 HydrophobicContact CD1-CG2 4.47Å; I368-I1025 HydrophobicContact CG1-CD1 4.31Å; I368-I1025 HydrophobicContact CG1-CG1 4.07Å; I368-I1025 HydrophobicContact CG2-CD1 3.79Å; I368-I1025 HydrophobicContact CG2-CG1 4.37Å | ||
| 1026 | K | 31.7 | Very low | 33.6 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -109.8 | 154 | 176.7 | -71.8 | -178.7 | 173.2 | -177.1 | 0 | 112 | ||||
| 1027 | L | 33.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -139.5 | 154.8 | 148.2 | -76.4 | -179.9 | 0 | 0 | 0 | 110.9 | ||||
| 1028 | N | 31.7 | Very low | 33.8 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -112.3 | 165.7 | -179.3 | -61.8 | -25 | 0 | 0 | 0 | 110.8 | ||||
| 1029 | N | 34.8 | Very low | 33.9 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | 173.9 | 98.8 | 120.5 | -85.2 | -15.2 | 0 | 0 | 0 | 115.6 | |||||
| 1030 | H | 37 | Very low | 34.8 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 41.5 | 122.6 | 118.8 | -154.1 | -79.4 | 0 | 0 | 0 | 122 | |||||
| 1031 | L | 35.2 | Very low | 35.2 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | 178.2 | 162 | 121.7 | -108 | 100 | 0 | 0 | 0 | 112.3 | |||||
| 1032 | P | 36 | Very low | 35.3 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 59% | 0.591 | 77% | 0.765 | S | S | * | * | trans | -143.9 | -173.9 | -148.6 | 45.9 | -27.8 | 0 | 0 | 0 | 119.8 | ||||
| 1033 | I | 35.1 | Very low | 35.3 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 76.3 | 155 | 153.2 | -80 | 164.5 | 0 | 0 | 0 | 116.9 | ||||
| 1034 | P | 36.3 | Very low | 35.4 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | cis | -128.7 | 175.8 | 10.2 | 41.8 | -26.4 | 0 | 0 | 0 | 118.4 | ||||
| 1035 | P | 38.8 | Very low | 35.3 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -121.3 | 161.8 | 171 | 41 | -30.1 | 0 | 0 | 0 | 116.9 | ||||
| 1036 | L | 36.4 | Very low | 35.1 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 95% | 0.953 | 78% | 0.78 | S | S | * | * | trans | -151.5 | 152.3 | 169.8 | -77.2 | 162.5 | 0 | 0 | 0 | 108.4 | ||||
| 1037 | G | 33.7 | Very low | 35 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | cis | 160.2 | 152.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1038 | I | 37.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | 86.9 | 139.4 | 162.2 | -60.4 | 172.5 | 0 | 0 | 0 | 118.7 | ||||
| 1039 | P | 36.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -139.7 | -130.4 | -142.4 | 44.6 | -19.4 | 0 | 0 | 0 | 116.7 | ||||
| 1040 | P | 43.9 | Very low | 34.1 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | trans | -132.8 | 171.7 | -135.1 | 40.6 | -17.7 | 0 | 0 | 0 | 119.7 | ||||
| 1041 | V | 36.4 | Very low | 33.7 | Very low | 142 Ų | 142 | 129.1 Ų | 129.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -158.4 | 151.2 | 170.2 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1042 | S | 34.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -164 | -179.4 | -34.5 | -84.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1043 | T | 35.7 | Very low | 33.6 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -101.7 | -171.6 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1044 | P | 34.8 | Very low | 33.2 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -156.8 | -174.9 | 21.1 | 45.1 | -21 | 0 | 0 | 0 | 122.2 | ||||
| 1045 | L | 28.7 | Very low | 32.8 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 78.7 | 114.4 | 139.4 | -112.9 | 53 | 0 | 0 | 0 | 125.1 | ||||
| 1046 | F | 28.6 | Very low | 32.2 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | 17.7 | 155.4 | 112.9 | -82.3 | -120.6 | 0 | 0 | 0 | 120.4 | |||||
| 1047 | S | 29.4 | Very low | 31.8 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 60% | 0.601 | 76% | 0.757 | S | S | * | * | cis | 177.6 | -178.9 | -11.8 | -96.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1048 | Q | 27.5 | Very low | 31.7 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 159.3 | 164 | -64.1 | -178.8 | 71.2 | 0 | 0 | 117.7 | ||||
| 1049 | T | 26.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 64% | 0.638 | 75% | 0.753 | S | S | * | * | cis | -144.5 | 148.5 | 5.4 | 34.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1050 | S | 27.4 | Very low | 31.7 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 60.8 | 161.6 | 148.3 | 72.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1051 | S | 30.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -141.2 | 166.5 | 9.5 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1052 | N | 32.5 | Very low | 31.8 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -66.9 | 160.6 | 170.9 | -95.9 | -13.6 | 0 | 0 | 0 | 112.2 | ||||
| 1053 | P | 35 | Very low | 32.1 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | cis | -146.4 | 151.1 | 47.9 | 39.7 | -19.3 | 0 | 0 | 0 | 120.6 | ||||
| 1054 | T | 28.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | 33.8 | 115.1 | 129.3 | -40.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1055 | S | 26.7 | Very low | 33.2 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | 178.1 | 156.1 | 107 | 50.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1056 | L | 27.5 | Very low | 34 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | 54 | 88.1 | 152.9 | -67.8 | 157.8 | 0 | 0 | 0 | 119.2 | ||||
| 1057 | S | 28.3 | Very low | 34.8 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -95.4 | 137.9 | 151.8 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1058 | S | 30.4 | Very low | 35.5 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -121.6 | 104.6 | 175.3 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1059 | S | 34.7 | Very low | 36.1 | Very low | 107 Ų | 107 | 116.4 Ų | 116.4 | 75% | 0.748 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 134.3 | 172.4 | -64.2 | 0 | 0 | 0 | 0 | 110.5 | M1061 | S1059-M1061 PolarHBondContact O-N 3.44Š|
| 1060 | P | 39 | Very low | 36.6 | Very low | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 130.1 | 170.4 | 28.4 | -32.8 | 0 | 0 | 0 | 110.4 | ||
| 1061 | M | 37.6 | Very low | 37 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 150.2 | -178.7 | -76.4 | -157.1 | -62.7 | 0 | 0 | 113.2 | S1059 | S1059-M1061 PolarHBondContact O-N 3.44Š|
| 1062 | S | 44.2 | Very low | 37.2 | Very low | 64 Ų | 64 | 115.5 Ų | 115.5 | 45% | 0.448 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 140.1 | 169.7 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | Q1064 Q1065 | S1062-Q1064 PolarHBondContact O-N 3Å; S1062-Q1064 VanDerWaalsContact O-N 3.15Å; S1062-Q1065 PolarHBondContact O-N 3.18Å |
| 1063 | L | 41.4 | Very low | 37 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 64% | 0.639 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.8 | -24.4 | -171.9 | -147.3 | 151.3 | 0 | 0 | 0 | 112.7 | Q1065 L1067 | L1063-Q1065 VanDerWaalsContact C-N 3.32Å; L1063-Q1065 PolarHBondContact O-N 3.5Å; L1063-L1067 HydrophobicContact CD2-CD1 3.58Å; L1063-L1067 HydrophobicContact CD2-CG 4.07Å; L1063-L1067 PolarHBondContact O-N 3.46Å |
| 1064 | Q | 45.5 | Very low | 37 | Very low | 136 Ų | 136 | 112 Ų | 112 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -62.7 | -28 | 172.3 | -86.8 | 79.3 | 4 | 0 | 0 | 114.7 | S1062 | S1062-Q1064 PolarHBondContact O-N 3Å; S1062-Q1064 VanDerWaalsContact O-N 3.15Å |
| 1065 | Q | 48.7 | Very low | 37.1 | Very low | 120 Ų | 120 | 113.1 Ų | 113.1 | 56% | 0.561 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.5 | -41.3 | -179.4 | -72.5 | -177.1 | -17.6 | 0 | 0 | 111.8 | S1062 L1063 L1067 M1068 L1069 | S1062-Q1065 PolarHBondContact O-N 3.18Å; L1063-Q1065 VanDerWaalsContact C-N 3.32Å; L1063-Q1065 PolarHBondContact O-N 3.5Å; Q1065-L1067 VanDerWaalsContact C-N 3.33Å; Q1065-L1067 PolarHBondContact O-N 2.85Å; Q1065-M1068 PolarHBondContact O-N 3.49Å; Q1065-L1069 PolarHBondContact O-N 3.41Å |
| 1066 | T | 44.4 | Very low | 37.2 | Very low | 67 Ų | 67 | 112.9 Ų | 112.9 | 41% | 0.411 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -59.3 | -41.5 | 177.1 | -46.9 | 0 | 0 | 0 | 0 | 112.4 | M1068 L1070 | T1066-M1068 VanDerWaalsContact C-N 3.27Å; T1066-M1068 PolarHBondContact O-N 2.99Å; T1066-L1070 PolarHBondContact O-N 3.11Å |
| 1067 | L | 45.7 | Very low | 37.3 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 59% | 0.592 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.5 | -16.2 | 177.4 | -75.2 | 175.2 | 0 | 0 | 0 | 114.3 | L1063 Q1065 | L1063-L1067 HydrophobicContact CD2-CD1 3.58Å; L1063-L1067 HydrophobicContact CD2-CG 4.07Å; L1063-L1067 PolarHBondContact O-N 3.46Å; Q1065-L1067 VanDerWaalsContact C-N 3.33Å; Q1065-L1067 PolarHBondContact O-N 2.85Å |
| 1068 | M | 43.8 | Very low | 37.5 | Very low | 145 Ų | 145 | 112.5 Ų | 112.5 | 71% | 0.714 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -87.6 | -21.5 | -179.1 | -153.2 | 173.2 | -59.1 | 0 | 0 | 113 | Q1065 T1066 | Q1065-M1068 PolarHBondContact O-N 3.49Å; T1066-M1068 VanDerWaalsContact C-N 3.27Å; T1066-M1068 PolarHBondContact O-N 2.99Å |
| 1069 | L | 41.6 | Very low | 37.6 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -96.2 | -29 | 175.5 | -82.9 | 161.7 | 0 | 0 | 0 | 113.4 | Q1065 A1071 S1072 | Q1065-L1069 PolarHBondContact O-N 3.41Å; L1069-A1071 PolarHBondContact O-N 3.34Å; L1069-S1072 PolarHBondContact O-N 2.93Å |
| 1070 | L | 36.2 | Very low | 37.3 | Very low | 130 Ų | 130 | 116 Ų | 116 | 68% | 0.681 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -70.1 | -13.8 | 179.9 | -165.9 | 59.1 | 0 | 0 | 0 | 113.5 | T1066 S1072 | T1066-L1070 PolarHBondContact O-N 3.11Å; L1070-S1072 PolarHBondContact O-N 2.85Å |
| 1071 | A | 35.2 | Very low | 37 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -80.1 | 7.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1069 | L1069-A1071 PolarHBondContact O-N 3.34Š|
| 1072 | S | 35.4 | Very low | 36.5 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -132.2 | 12.4 | -169.7 | -58.2 | 0 | 0 | 0 | 0 | 115.4 | L1069 L1070 | L1069-S1072 PolarHBondContact O-N 2.93Å; L1070-S1072 PolarHBondContact O-N 2.85Å |
| 1073 | A | 28.7 | Very low | 35.8 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | trans | -136.6 | 79.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1074 | A | 33.6 | Very low | 35.1 | Very low | 101 Ų | 101 | 119 Ų | 119 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | trans | -153.3 | 33.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1075 | T | 30.1 | Very low | 34.3 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | trans | -102 | 80.3 | -174.7 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1076 | A | 28.8 | Very low | 33.3 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -168.8 | 105.3 | 161 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1077 | S | 29.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | 167 | 89 | 141.4 | 39.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1078 | V | 33 | Very low | 31.8 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -100.4 | 130.9 | 168.2 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | L1080 | V1078-L1080 HydrophobicContact CG1-CD1 4.24Å; V1078-L1080 HydrophobicContact CG1-CG 3.97Å | ||
| 1079 | P | 31.7 | Very low | 31.1 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | trans | -122.1 | 105.8 | 148.5 | 32.8 | -21.3 | 0 | 0 | 0 | 110.5 | ||||
| 1080 | L | 29.6 | Very low | 30.6 | Very low | 159 Ų | 159 | 122.3 Ų | 122.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -80 | 129.4 | 167.9 | -84.6 | 159.2 | 0 | 0 | 0 | 109.6 | V1078 | V1078-L1080 HydrophobicContact CG1-CD1 4.24Å; V1078-L1080 HydrophobicContact CG1-CG 3.97Å | ||
| 1081 | K | 32.2 | Very low | 30.3 | Very low | 198 Ų | 198 | 124.9 Ų | 124.9 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -149.2 | 126.4 | 154.4 | -122.8 | 171.6 | -174.4 | 177.9 | 0 | 114.2 | ||||
| 1082 | T | 26.8 | Very low | 30.1 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -45.8 | 162.8 | 161.5 | 60 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1083 | S | 29.9 | Very low | 29.8 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | cis | -160.5 | 156.2 | 32.5 | -49.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1084 | S | 27.5 | Very low | 29.7 | Very low | 96 Ų | 96 | 131.7 Ų | 131.7 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | 57.2 | 119.5 | 131.1 | 68.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1085 | T | 27.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | 82.9 | 140.4 | 121.2 | 55.7 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1086 | L | 27.8 | Very low | 29.2 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 70.2 | 142.5 | 158.8 | -92.9 | 73.5 | 0 | 0 | 0 | 117.3 | ||||
| 1087 | A | 32.2 | Very low | 29.2 | Very low | 77 Ų | 77 | 140.8 Ų | 140.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -154.5 | 148.9 | 5.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1088 | N | 27.1 | Very low | 29 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 52.4 | 110.8 | 131.7 | -62.2 | 7.4 | 0 | 0 | 0 | 124.5 | ||||
| 1089 | S | 27.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | 100.1 | 159.8 | 109.8 | -150.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1090 | E | 32.3 | Very low | 28.8 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 69.1 | 100.1 | 167.1 | -47.2 | -159.3 | 167.4 | 0 | 0 | 116.5 | ||||
| 1091 | H | 28.8 | Very low | 28.7 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | cis | 94.3 | 153.9 | 24.8 | -148.7 | -85.8 | 0 | 0 | 0 | 114.2 | ||||
| 1092 | I | 30.9 | Very low | 28.5 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 79.7 | 133.2 | -179.6 | -52.4 | 161.7 | 0 | 0 | 0 | 113.7 | ||||
| 1093 | N | 29.4 | Very low | 28.7 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | cis | -140.5 | 164.5 | -5.2 | -154.8 | -6.2 | 0 | 0 | 0 | 111.5 | ||||
| 1094 | V | 26.6 | Very low | 28.7 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | -143.2 | 145.8 | 174.5 | -161.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1095 | N | 26.2 | Very low | 28.8 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | 77.2 | 128.8 | 170 | -43.1 | -74.3 | 0 | 0 | 0 | 117.8 | ||||
| 1096 | Q | 26.9 | Very low | 28.9 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | -150.9 | 121.3 | 124.2 | -83.8 | -147.3 | -20.8 | 0 | 0 | 112.9 | |||||
| 1097 | W | 28.7 | Very low | 29 | Very low | 223 Ų | 223 | 134.8 Ų | 134.8 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | 92.9 | 84.2 | 132.9 | -64.3 | 18 | 0 | 0 | 0 | 121.6 | ||||
| 1098 | N | 26.7 | Very low | 29 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -32.7 | 162.8 | 144 | -59.7 | -17.7 | 0 | 0 | 0 | 119.5 | ||||
| 1099 | H | 28.8 | Very low | 29.1 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | trans | 67.7 | 151.8 | 155.8 | -56.9 | -56.9 | 0 | 0 | 0 | 117.2 | ||||
| 1100 | A | 30.1 | Very low | 29.6 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | cis | -152.6 | 153 | 15.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1101 | D | 27.9 | Very low | 29.6 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | 52.3 | 119.1 | 128.2 | -61.1 | -2.5 | 0 | 0 | 0 | 125.6 | |||||
| 1102 | S | 29 | Very low | 29.7 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | 87 | 103.8 | 117.1 | -157 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1103 | S | 29.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | 83.9 | 145.7 | 123.9 | -57.7 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1104 | T | 30.1 | Very low | 29.9 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 101.2 | 119.3 | 144.6 | -25.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1105 | A | 30.2 | Very low | 30.3 | Very low | 69 Ų | 69 | 125.8 Ų | 125.8 | 57% | 0.57 | 73% | 0.731 | S | S | * | * | trans | 64.4 | 161.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1106 | T | 30.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | cis | -169.8 | 139.3 | -26.9 | -88.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1107 | I | 28.8 | Very low | 31 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 27.4 | 128.6 | 156.5 | -53.6 | 162.4 | 0 | 0 | 0 | 119.3 | ||||
| 1108 | T | 32.3 | Very low | 31.2 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | 174.6 | 155 | 106.9 | -42.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1109 | A | 30.8 | Very low | 31.5 | Very low | 85 Ų | 85 | 117.5 Ų | 117.5 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | trans | -103.2 | -158.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1110 | P | 37 | Very low | 31.6 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | cis | -135.8 | -171.4 | -9.6 | 43.5 | -26.2 | 0 | 0 | 0 | 114.7 | ||||
| 1111 | A | 31.7 | Very low | 31.8 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 68.7 | 171.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1112 | T | 31.7 | Very low | 31.9 | Very low | 120 Ų | 120 | 116.3 Ų | 116.3 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -153.2 | 174.1 | 11.3 | -28.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1113 | I | 34.1 | Very low | 32.2 | Very low | 134 Ų | 134 | 115.8 Ų | 115.8 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | trans | 73.6 | 103.9 | 157 | -67.2 | 158.9 | 0 | 0 | 0 | 114.8 | ||||
| 1114 | N | 31.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | 73.5 | 158 | 85 | -49.1 | -17.5 | 0 | 0 | 0 | 113 | |||||
| 1115 | T | 35.1 | Very low | 32.4 | Very low | 106 Ų | 106 | 113.8 Ų | 113.8 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | cis | -145.5 | 141.3 | 12.2 | 35.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1116 | N | 32.5 | Very low | 32.6 | Very low | 143 Ų | 143 | 111.5 Ų | 111.5 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | trans | 62.5 | 161.4 | 136.8 | -52.6 | -5.4 | 0 | 0 | 0 | 119 | ||||
| 1117 | T | 33.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 108 Ų | 108 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | cis | -150.7 | 151.7 | 11.7 | -22.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1118 | T | 33.1 | Very low | 33 | Very low | 115 Ų | 115 | 104.5 Ų | 104.5 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | 23.1 | 145.4 | 145.6 | 53.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1119 | T | 32.4 | Very low | 33 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 69% | 0.693 | 63% | 0.63 | S | S | * | * | cis | -170.2 | 142.8 | 22.1 | 7.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1120 | T | 31.6 | Very low | 33.4 | Very low | 119 Ų | 119 | 106.3 Ų | 106.3 | 73% | 0.73 | 64% | 0.636 | S | S | * | * | 62.4 | 124.1 | 90.8 | -52.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1121 | T | 33.6 | Very low | 33.2 | Very low | 130 Ų | 130 | 106.4 Ų | 106.4 | 80% | 0.798 | 64% | 0.635 | S | S | * | * | cis | -162.2 | 174.9 | 0.5 | 14.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1122 | V | 31.7 | Very low | 33.4 | Very low | 132 Ų | 132 | 110.3 Ų | 110.3 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | trans | -85.2 | -177.6 | 169 | -119.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1123 | P | 34.4 | Very low | 33.5 | Very low | 93 Ų | 93 | 111.8 Ų | 111.8 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | cis | -145.9 | -175.7 | -11.7 | 37.2 | -14.6 | 0 | 0 | 0 | 118.9 | N958 | N958-P1123 PolarHBondContact ND2-O 3.29Š| ||
| 1124 | L | 33.4 | Very low | 33.5 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 55% | 0.55 | 64% | 0.641 | S | S | . | * | trans | 98.7 | 174.3 | 138.2 | -135.5 | 69.1 | 0 | 0 | 0 | 123.3 | N957 N958 | N957-L1124 PolarHBondContact OD1-O 3.09Å; N958-L1124 WeakPolarHBondContact OD1-CB 3.2Å | ||
| 1125 | L | 31.2 | Very low | 33.5 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 40% | 0.398 | 64% | 0.643 | S | S | . | * | trans | -104.5 | -160.8 | -140.1 | -65.6 | 154.5 | 0 | 0 | 0 | 117.2 | T956 N957 N958 | T956-L1125 CarbonylContact O-C 3.56Å; N957-L1125 CarbonylContact C-O 3.51Å; N957-L1125 VanDerWaalsContact C-O 3.23Å; N957-L1125 WeakPolarHBondContact CA-O 3.42Å; N957-L1125 WeakPolarHBondContact CB-O 3.45Å; N957-L1125 PolarHBondContact N-O 3.36Å; N958-L1125 WeakPolarHBondContact CA-O 3.25Å; N958-L1125 WeakPolarHBondContact CB-O 3.45Å; N958-L1125 PolarHBondContact N-O 3.1Å; N958-L1125 VanDerWaalsContact N-O 3.13Å; N958-L1125 PolarHBondContact OD1-N 2.8Å | ||
| 1126 | T | 33.4 | Very low | 33.7 | Very low | 21 Ų | 21 | 112.6 Ų | 112.6 | 13% | 0.129 | 64% | 0.636 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | 66.5 | 105.2 | 159.2 | 74.6 | 0 | 0 | 0 | 0 | 126.6 | V11 T12 T956 N957 N958 | V11-T1126 VanDerWaalsContact C-CB 3.47Å; V11-T1126 VanDerWaalsContact C-CG2 3.44Å; V11-T1126 WeakPolarHBondContact O-CG2 3.37Å; T12-T1126 VanDerWaalsContact C-CA 3.46Å; T12-T1126 VanDerWaalsContact N-CB 3.29Å; T12-T1126 WeakPolarHBondContact O-CG2 3.45Å; T956-T1126 CarbonylContact O-C 3.5Å; T956-T1126 WeakPolarHBondContact O-CA 3.41Å; T956-T1126 PolarHBondContact O-N 3.09Å; N957-T1126 CarbonylContact C-O 3.35Å; N957-T1126 WeakPolarHBondContact CA-O 3.34Å; N957-T1126 VanDerWaalsContact N-CA 3.27Å; N957-T1126 PolarHBondContact N-O 3.39Å; N957-T1126 VanDerWaalsContact O-O 3.08Å; N958-T1126 VanDerWaalsContact CA-OG1 3.26Å; N958-T1126 WeakPolarHBondContact CA-OG1 3.43Å; N958-T1126 PolarHBondContact N-O 3.17Å |
| 1127 | N | 33.2 | Very low | 33.6 | Very low | 35 Ų | 35 | 114.3 Ų | 114.3 | 19% | 0.187 | 63% | 0.633 | C | S | . | * | E | Extended strand (participates in β ladder) | cis | 166.4 | 135.3 | -22 | 169 | 113.2 | 0 | 0 | 0 | 112.8 | V11 T12 A955 T956 | V11-N1127 HydrophobicContact CG1-CB 3.53Å; V11-N1127 WeakPolarHBondContact CG1-O 3.44Å; T12-N1127 WeakPolarHBondContact OG1-CB 3.28Å; T12-N1127 PolarHBondContact OG1-OD1 3.5Å; A955-N1127 WeakPolarHBondContact CA-OD1 3.5Å; A955-N1127 CarbonylContact O-C 3.29Å; A955-N1127 VanDerWaalsContact O-CA 3.23Å; A955-N1127 WeakPolarHBondContact O-CA 3.22Å; T956-N1127 WeakPolarHBondContact O-CA 3.41Å; T956-N1127 WeakPolarHBondContact O-CB 3.36Å; T956-N1127 PolarHBondContact O-N 3.47Å; T956-N1127 WeakPolarHBondContact OG1-CA 3.24Å; T956-N1127 PolarHBondContact OG1-N 2.91Å |
| 1128 | S | 34.8 | Very low | 33.5 | Very low | 76 Ų | 76 | 116 Ų | 116 | 53% | 0.531 | 63% | 0.633 | S | S | . | * | trans | 173.7 | 132 | 147.2 | -97.3 | 0 | 0 | 0 | 0 | 123.4 | A955 T956 | A955-S1128 PolarHBondContact O-N 2.88Å; T956-S1128 PolarHBondContact OG1-N 3.47Å | ||
| 1129 | D | 32.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | 69 | 151.2 | 127.4 | -58 | -53.9 | 0 | 0 | 0 | 130.1 | |||||
| 1130 | T | 39.2 | Very low | 33.7 | Very low | 136 Ų | 136 | 114.6 Ų | 114.6 | 83% | 0.834 | 62% | 0.624 | S | S | * | * | trans | 90.4 | 157.7 | 170.6 | 66.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1131 | V | 32.4 | Very low | 33.9 | Very low | 118 Ų | 118 | 115.6 Ų | 115.6 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | -169.7 | 159.8 | -62.6 | 140.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1132 | H | 35.8 | Very low | 34 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 78% | 0.778 | 62% | 0.623 | S | S | * | * | trans | 88.3 | 152 | -177.9 | -65.4 | -77.1 | 0 | 0 | 0 | 117.9 | ||||
| 1133 | H | 34.2 | Very low | 34.1 | Very low | 150 Ų | 150 | 116 Ų | 116 | 69% | 0.694 | 62% | 0.618 | S | S | * | * | cis | -166.5 | 164.2 | -40.9 | -132.4 | 32.7 | 0 | 0 | 0 | 111.7 | ||||
| 1134 | H | 34.5 | Very low | 34.3 | Very low | 170 Ų | 170 | 119.5 Ų | 119.5 | 79% | 0.787 | 63% | 0.631 | S | S | * | * | trans | 70.9 | 166.6 | 166.5 | -69.7 | -65.9 | 0 | 0 | 0 | 122.2 | ||||
| 1135 | N | 31.5 | Very low | 34.3 | Very low | 148 Ų | 148 | 119.7 Ų | 119.7 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | trans | -174.8 | -174 | -147.8 | -160 | 42.2 | 0 | 0 | 0 | 108.7 | ||||
| 1136 | P | 37.8 | Very low | 34.4 | Very low | 78 Ų | 78 | 123.7 Ų | 123.7 | 51% | 0.506 | 66% | 0.663 | S | S | . | * | -117.1 | -142.8 | -81.9 | 44.4 | -29 | 0 | 0 | 0 | 114.2 | |||||
| 1137 | Y | 31.7 | Very low | 34.5 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | 97.3 | 112.4 | 171.3 | -62.1 | -68.8 | 0 | 0 | 0 | 116 | ||||
| 1138 | E | 31.9 | Very low | 34.5 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | 81.5 | 144.6 | 82.9 | -82.7 | -179.8 | -172.2 | 0 | 0 | 113.1 | |||||
| 1139 | T | 34 | Very low | 34.5 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | cis | -145.8 | 152.3 | 16.5 | 36.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1140 | T | 34.5 | Very low | 34.6 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | trans | 39.8 | 139.5 | 141.7 | 70.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1141 | D | 35.8 | Very low | 34.3 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | 175.6 | 110.8 | 108.2 | -86.5 | 5.5 | 0 | 0 | 0 | 114.3 | |||||
| 1142 | D | 36.1 | Very low | 34.4 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 42.3 | 134.2 | 142.4 | -82.7 | 27 | 0 | 0 | 0 | 128.7 | ||||
| 1143 | N | 33.4 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | 63.2 | 113.2 | 142.8 | -63.8 | -46.5 | 0 | 0 | 0 | 122.9 | ||||
| 1144 | L | 39.7 | Very low | 34.3 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | -167.5 | 161.5 | 96.7 | -101.8 | 169.3 | 0 | 0 | 0 | 113.7 | |||||
| 1145 | S | 31.8 | Very low | 34.4 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | -50.1 | 141.2 | -171.4 | -47.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1146 | D | 34.6 | Very low | 34.6 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | -153 | 158.5 | 149.1 | -149.7 | -7.1 | 0 | 0 | 0 | 114.5 | ||||
| 1147 | S | 35.5 | Very low | 34.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -67.3 | 127.8 | -169.8 | -175 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1148 | S | 33 | Very low | 34.8 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -148.4 | 21.4 | 173 | 56.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1149 | Y | 33.8 | Very low | 35.3 | Very low | 214 Ų | 214 | 134.9 Ų | 134.9 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | trans | -81.1 | 171.2 | 162.9 | -80.1 | -100.1 | 0 | 0 | 0 | 110.7 | ||||
| 1150 | I | 36 | Very low | 35.8 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 65 | 43.1 | 179.8 | -31.5 | -179.1 | 0 | 0 | 0 | 116.2 | ||
| 1151 | N | 33.2 | Very low | 36.8 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | -133.3 | 4.9 | 161.5 | -106.9 | -62.9 | 0 | 0 | 0 | 116.6 | ||||
| 1152 | S | 33.6 | Very low | 38 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -104.6 | 44.3 | -166.2 | -63.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1153 | T | 35.8 | Very low | 39.4 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 60% | 0.595 | 67% | 0.67 | S | S | * | * | trans | -128.1 | 28.6 | 164.9 | 67.8 | 0 | 0 | 0 | 0 | 115.9 | K80 F1155 | K80-T1153 PolarHBondContact NZ-OG1 3.25Å; T1153-F1155 PolarHBondContact O-N 2.89Å | ||
| 1154 | M | 32.3 | Very low | 41.1 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 72% | 0.719 | 67% | 0.673 | S | S | * | * | trans | -76.2 | 46.5 | 172.6 | -109.3 | -61.5 | -154.1 | 0 | 0 | 114 | R81 S1156 | R81-M1154 VanDerWaalsContact NH2-CE 3.32Å; M1154-S1156 PolarHBondContact O-N 3.38Å | ||
| 1155 | F | 36.6 | Very low | 42.9 | Very low | 169 Ų | 169 | 118.5 Ų | 118.5 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | trans | -70 | 78.5 | 171.5 | -82.7 | -77.7 | 0 | 0 | 0 | 111.7 | T1153 | T1153-F1155 PolarHBondContact O-N 2.89Š| ||
| 1156 | S | 34.9 | Very low | 45.1 | Very low | 54 Ų | 54 | 119.1 Ų | 119.1 | 38% | 0.378 | 63% | 0.627 | S | S | . | * | trans | -52.1 | 150.4 | 143.7 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | M1154 Q1158 | M1154-S1156 PolarHBondContact O-N 3.38Å; S1156-Q1158 PolarHBondContact O-N 2.92Å; S1156-Q1158 PolarHBondContact OG-N 3.48Å; S1156-Q1158 PolarHBondContact OG-OE1 3.22Å | ||
| 1157 | F | 36.4 | Very low | 47 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 63% | 0.632 | 61% | 0.612 | S | S | * | * | trans | -76.9 | 55.5 | 161.7 | -76.5 | -89.5 | 0 | 0 | 0 | 109.1 | K73 | K73-F1157 HydrophobicContact CD-CE2 4.37Š| ||
| 1158 | Q | 37.6 | Very low | 49 | Very low | 147 Ų | 147 | 117.3 Ų | 117.3 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | trans | -59.3 | 137.8 | 161 | -132.7 | 71.8 | -8.4 | 0 | 0 | 106.3 | S1156 V1160 | S1156-Q1158 PolarHBondContact O-N 2.92Å; S1156-Q1158 PolarHBondContact OG-N 3.48Å; S1156-Q1158 PolarHBondContact OG-OE1 3.22Å; Q1158-V1160 PolarHBondContact O-N 3.05Å | ||
| 1159 | R | 42.8 | Very low | 51.2 | Low | 203 Ų | 203 | 113.7 Ų | 113.7 | 77% | 0.766 | 57% | 0.574 | S | S | * | * | trans | -67.5 | 112.5 | -175.9 | -53.5 | -179.7 | -156 | 164.7 | 8.1 | 108.2 | V1161 | R1159-V1161 HydrophobicContact CB-CG2 3.61Å; R1159-V1161 PolarHBondContact O-N 3.22Å | ||
| 1160 | V | 44.6 | Very low | 53.5 | Low | 85 Ų | 85 | 105.2 Ų | 105.2 | 52% | 0.515 | 54% | 0.543 | S | S | . | . | trans | -74.7 | 70.2 | 161.9 | -175.4 | 0 | 0 | 0 | 0 | 106.7 | Q1158 Y1202 | Q1158-V1160 PolarHBondContact O-N 3.05Å; V1160-Y1202 HydrophobicContact CB-CD1 4.03Å; V1160-Y1202 HydrophobicContact CB-CE1 4.31Å; V1160-Y1202 HydrophobicContact CG1-CD1 4.44Å; V1160-Y1202 CarbonylContact O-C 3.23Å; V1160-Y1202 WeakPolarHBondContact O-CA 3.33Å | ||
| 1161 | V | 55.5 | Low | 55.5 | Low | 52 Ų | 52 | 103.3 Ų | 103.3 | 32% | 0.315 | 53% | 0.534 | S | S | . | . | trans | -69.8 | 132.3 | 159.8 | -171.9 | 0 | 0 | 0 | 0 | 104.8 | R1159 | R1159-V1161 HydrophobicContact CB-CG2 3.61Å; R1159-V1161 PolarHBondContact O-N 3.22Å | ||
| 1162 | L | 61.5 | Low | 57.8 | Low | 51 Ų | 51 | 103.2 Ų | 103.2 | 27% | 0.267 | 53% | 0.527 | S | S | . | . | trans | -48.4 | 147.3 | 170.4 | -69.4 | 169.6 | 0 | 0 | 0 | 109.5 | I1203 R1234 | L1162-I1203 HydrophobicContact CD1-CB 4.41Å; L1162-I1203 HydrophobicContact CD1-CD1 4.16Å; L1162-I1203 HydrophobicContact CD1-CG2 3.86Å; L1162-R1234 PolarHBondContact O-NH1 3.45Å; L1162-R1234 PolarHBondContact O-NH2 3.3Å | ||
| 1163 | P | 64.8 | Low | 60.1 | Low | 100 Ų | 100 | 99 Ų | 99 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | trans | -43.6 | 153.5 | -177.4 | -31.5 | 35.9 | 0 | 0 | 0 | 113.6 | L1165 R1234 | P1163-L1165 PolarHBondContact O-N 2.88Å; P1163-L1165 VanDerWaalsContact O-N 3.15Å; P1163-R1234 PolarHBondContact O-NH2 2.9Å | ||
| 1164 | P | 69.8 | Low | 62.1 | Low | 117 Ų | 117 | 98.8 Ų | 98.8 | 76% | 0.76 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -47.7 | 127 | 173.8 | -25.4 | 34.4 | 0 | 0 | 0 | 109.6 | K1166 | P1164-K1166 PolarHBondContact O-N 3.08Š|
| 1165 | L | 77.7 | Confident | 64.7 | Low | 28 Ų | 28 | 97.5 Ų | 97.5 | 15% | 0.147 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 128.3 | 179.5 | -74.8 | -179.6 | 0 | 0 | 0 | 108.3 | P1163 D1169 I1170 E1230 I1233 R1234 L1237 | P1163-L1165 PolarHBondContact O-N 2.88Å; P1163-L1165 VanDerWaalsContact O-N 3.15Å; L1165-D1169 HydrophobicContact CD2-CB 4.28Å; L1165-I1170 HydrophobicContact CB-CD1 4.2Å; L1165-I1170 HydrophobicContact CB-CG1 4.13Å; L1165-I1170 HydrophobicContact CD1-CG1 4.34Å; L1165-E1230 HydrophobicContact CD1-CB 3.85Å; L1165-E1230 HydrophobicContact CD1-CG 3.69Å; L1165-E1230 HydrophobicContact CG-CG 4.35Å; L1165-I1233 HydrophobicContact CD1-CB 3.82Å; L1165-I1233 HydrophobicContact CD1-CD1 4.31Å; L1165-I1233 HydrophobicContact CD1-CG2 3.6Å; L1165-I1233 HydrophobicContact CD2-CG2 3.96Å; L1165-I1233 HydrophobicContact CG-CG2 4.43Å; L1165-R1234 HydrophobicContact CD1-CG 4.19Å; L1165-R1234 HydrophobicContact CD2-CG 3.88Å; L1165-R1234 HydrophobicContact CG-CG 4.12Å; L1165-L1237 HydrophobicContact CD2-CD1 3.76Å |
| 1166 | K | 76.8 | Confident | 67.2 | Low | 122 Ų | 122 | 90.7 Ų | 90.7 | 53% | 0.53 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -69 | 156 | 174.7 | -63 | 175 | 171.8 | 179.5 | 0 | 108.8 | P1164 E1168 D1169 I1170 | P1164-K1166 PolarHBondContact O-N 3.08Å; K1166-E1168 HydrophobicContact CB-CG 3.71Å; K1166-E1168 HydrophobicContact CD-CG 3.76Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.43Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.15Å; K1166-E1168 HydrophobicContact CG-CG 4.48Å; K1166-E1168 IonicContact NZ-OE1 3.45Å; K1166-E1168 PolarHBondContact NZ-OE1 3.32Å; K1166-E1168 PolarHBondContact O-N 3.05Å; K1166-D1169 PolarHBondContact N-OD2 3Å; K1166-D1169 WeakPolarHBondContact O-CB 3.42Å; K1166-D1169 PolarHBondContact O-N 2.9Å; K1166-I1170 PolarHBondContact O-N 3.39Å |
| 1167 | Q | 74.7 | Confident | 70 | Confident | 112 Ų | 112 | 91.5 Ų | 91.5 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.4 | -34.4 | 174.3 | -168.3 | 59.4 | 42.1 | 0 | 0 | 111.4 | D1169 I1170 D1171 | Q1167-D1169 VanDerWaalsContact C-N 3.33Å; Q1167-D1169 PolarHBondContact O-N 3.02Å; Q1167-I1170 PolarHBondContact O-N 3.29Å; Q1167-I1170 VanDerWaalsContact O-N 3.07Å; Q1167-D1171 WeakPolarHBondContact CG-OD2 3.38Å; Q1167-D1171 PolarHBondContact NE2-OD1 2.95Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.26Å; Q1167-D1171 VanDerWaalsContact O-CG 3.31Å; Q1167-D1171 PolarHBondContact O-N 3.35Å |
| 1168 | E | 77.1 | Confident | 72.8 | Confident | 118 Ų | 118 | 85.1 Ų | 85.1 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.3 | -35.3 | 173.6 | 67.4 | -172.5 | -163.9 | 0 | 0 | 113.7 | K1166 I1170 K1172 | K1166-E1168 HydrophobicContact CB-CG 3.71Å; K1166-E1168 HydrophobicContact CD-CG 3.76Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.43Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.15Å; K1166-E1168 HydrophobicContact CG-CG 4.48Å; K1166-E1168 IonicContact NZ-OE1 3.45Å; K1166-E1168 PolarHBondContact NZ-OE1 3.32Å; K1166-E1168 PolarHBondContact O-N 3.05Å; E1168-I1170 VanDerWaalsContact C-N 3.34Å; E1168-K1172 WeakPolarHBondContact O-CB 3.45Å; E1168-K1172 PolarHBondContact O-N 2.94Å |
| 1169 | D | 79.4 | Confident | 75.5 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 17% | 0.171 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70.1 | -34.1 | 174.3 | -67.3 | -60.3 | 0 | 0 | 0 | 111.6 | L1165 K1166 Q1167 Y1173 I1233 L1237 | L1165-D1169 HydrophobicContact CD2-CB 4.28Å; K1166-D1169 PolarHBondContact N-OD2 3Å; K1166-D1169 WeakPolarHBondContact O-CB 3.42Å; K1166-D1169 PolarHBondContact O-N 2.9Å; Q1167-D1169 VanDerWaalsContact C-N 3.33Å; Q1167-D1169 PolarHBondContact O-N 3.02Å; D1169-Y1173 WeakPolarHBondContact O-CD2 3.36Å; D1169-I1233 HydrophobicContact CB-CG2 4.35Å; D1169-L1237 HydrophobicContact CB-CD1 4.31Å |
| 1170 | I | 81.7 | Confident | 78 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 18% | 0.179 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -73.9 | -42.9 | -178.8 | -64.7 | 171.4 | 0 | 0 | 0 | 110.5 | L1165 K1166 Q1167 E1168 I1233 | L1165-I1170 HydrophobicContact CB-CD1 4.2Å; L1165-I1170 HydrophobicContact CB-CG1 4.13Å; L1165-I1170 HydrophobicContact CD1-CG1 4.34Å; K1166-I1170 PolarHBondContact O-N 3.39Å; Q1167-I1170 PolarHBondContact O-N 3.29Å; Q1167-I1170 VanDerWaalsContact O-N 3.07Å; E1168-I1170 VanDerWaalsContact C-N 3.34Å; I1170-I1233 HydrophobicContact CG1-CD1 4.26Å |
| 1171 | D | 78.4 | Confident | 80.5 | Confident | 99 Ų | 99 | 73.2 Ų | 73.2 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -75.3 | -33.5 | -178.8 | -63.1 | -19.6 | 0 | 0 | 0 | 111.9 | Q1167 Y1173 | Q1167-D1171 WeakPolarHBondContact CG-OD2 3.38Å; Q1167-D1171 PolarHBondContact NE2-OD1 2.95Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.26Å; Q1167-D1171 VanDerWaalsContact O-CG 3.31Å; Q1167-D1171 PolarHBondContact O-N 3.35Å; D1171-Y1173 PolarHBondContact O-N 3.38Å |
| 1172 | K | 81.6 | Confident | 82.4 | Confident | 145 Ų | 145 | 70.8 Ų | 70.8 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.6 | -27.9 | 175.2 | 175.5 | 172.7 | 179.9 | 171.7 | 0 | 113.7 | E1168 | E1168-K1172 WeakPolarHBondContact O-CB 3.45Å; E1168-K1172 PolarHBondContact O-N 2.94Å |
| 1173 | Y | 82.8 | Confident | 84.1 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 61.1 | -179.3 | -59.5 | -60.3 | 0 | 0 | 0 | 111 | D1169 D1171 E1175 L1176 W1221 I1233 Q1236 L1237 N1240 | D1169-Y1173 WeakPolarHBondContact O-CD2 3.36Å; D1171-Y1173 PolarHBondContact O-N 3.38Å; Y1173-E1175 PolarHBondContact O-N 3.28Å; Y1173-L1176 HydrophobicContact CD1-CD2 3.94Å; Y1173-L1176 HydrophobicContact CG-CD1 4.26Å; Y1173-L1176 HydrophobicContact CG-CD2 4.31Å; Y1173-W1221 WeakPolarHBondContact O-CH2 3.36Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.83Å; Y1173-I1233 HydrophobicContact CE2-CG2 4.34Å; Y1173-Q1236 HydrophobicContact CD1-CG 4.2Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.77Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.91Å; Y1173-L1237 HydrophobicContact CE2-CG 4.04Å; Y1173-N1240 PolarHBondContact OH-ND2 2.89Å; Y1173-N1240 VanDerWaalsContact OH-ND2 3.09Å |
| 1174 | S | 77.9 | Confident | 85.6 | Confident | 92 Ų | 92 | 75 Ų | 75 | 64% | 0.643 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -65 | -33.3 | -176.8 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | W1221 | S1174-W1221 PolarHBondContact O-NE1 2.7Š|
| 1175 | E | 85.8 | Confident | 86.8 | Confident | 119 Ų | 119 | 69.5 Ų | 69.5 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -136.3 | 134.1 | 169.9 | -171.3 | 160.3 | -159.1 | 0 | 0 | 111 | Y1173 K1222 | Y1173-E1175 PolarHBondContact O-N 3.28Å; E1175-K1222 WeakPolarHBondContact OE1-CE 3.33Å; E1175-K1222 IonicContact OE1-NZ 2.75Å; E1175-K1222 PolarHBondContact OE1-NZ 3.33Å; E1175-K1222 IonicContact OE2-NZ 3.98Å |
| 1176 | L | 89.6 | Confident | 87.7 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.131 | 35% | 0.346 | C | S | . | . | trans | -140.3 | 140.3 | -177.2 | -75.1 | -176.5 | 0 | 0 | 0 | 111.6 | Y1173 T1178 I1181 W1221 I1233 Q1236 | Y1173-L1176 HydrophobicContact CD1-CD2 3.94Å; Y1173-L1176 HydrophobicContact CG-CD1 4.26Å; Y1173-L1176 HydrophobicContact CG-CD2 4.31Å; L1176-T1178 PolarHBondContact O-N 3.03Å; L1176-T1178 VanDerWaalsContact O-N 3.11Å; L1176-I1181 HydrophobicContact CB-CD1 3.75Å; L1176-I1181 HydrophobicContact CD1-CD1 3.81Å; L1176-I1181 HydrophobicContact CD2-CD1 4.07Å; L1176-I1181 HydrophobicContact CG-CD1 4.1Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.85Å; L1176-W1221 HydrophobicContact CB-CH2 4.28Å; L1176-W1221 HydrophobicContact CB-CZ3 3.89Å; L1176-W1221 HydrophobicContact CD1-CH2 3.88Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.8Å; L1176-W1221 HydrophobicContact CG-CH2 4.17Å; L1176-W1221 HydrophobicContact CG-CZ3 4.18Å; L1176-W1221 WeakPolarHBondContact O-CB 3.33Å; L1176-I1233 HydrophobicContact CD1-CG1 4.35Å; L1176-Q1236 HydrophobicContact CD1-CB 4.31Å; L1176-Q1236 HydrophobicContact CD2-CG 4.37Å | ||
| 1177 | C | 92.7 | Very high | 88.5 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 48% | 0.48 | 34% | 0.342 | S | S | . | . | trans | -78.9 | 93.5 | 174.6 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | E1179 E1180 I1181 | C1177-E1179 VanDerWaalsContact C-N 3.32Å; C1177-E1179 PolarHBondContact O-N 2.81Å; C1177-E1180 HydrophobicContact CB-CB 3.88Å; C1177-E1180 PolarHBondContact O-N 3.45Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; C1177-I1181 VanDerWaalsContact O-CG1 3.3Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.39Å; C1177-I1181 PolarHBondContact O-N 3.41Å | ||
| 1178 | T | 95.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -34.7 | -173.3 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | L1176 A1182 K1219 P1220 W1221 L1224 F1232 | L1176-T1178 PolarHBondContact O-N 3.03Å; L1176-T1178 VanDerWaalsContact O-N 3.11Å; T1178-A1182 VanDerWaalsContact O-CB 3.29Å; T1178-A1182 WeakPolarHBondContact O-CB 3.48Å; T1178-A1182 PolarHBondContact O-N 2.94Å; T1178-A1182 VanDerWaalsContact O-N 3.15Å; T1178-K1219 WeakPolarHBondContact CB-O 3.44Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.14Å; T1178-K1219 PolarHBondContact OG1-O 3.33Å; T1178-K1219 VanDerWaalsContact OG1-O 3.07Å; T1178-P1220 WeakPolarHBondContact OG1-CA 3.36Å; T1178-W1221 HydrophobicContact CG2-CB 4.02Å; T1178-W1221 HydrophobicContact CG2-CE3 3.94Å; T1178-L1224 HydrophobicContact CG2-CD1 3.75Å; T1178-F1232 HydrophobicContact CG2-CD1 3.9Å; T1178-F1232 HydrophobicContact CG2-CD2 4.2Å; T1178-F1232 HydrophobicContact CG2-CE1 3.97Å; T1178-F1232 HydrophobicContact CG2-CE2 4.24Å; T1178-F1232 HydrophobicContact CG2-CG 4.03Å; T1178-F1232 HydrophobicContact CG2-CZ 4.14Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.48Å |
| 1179 | E | 95.4 | Very high | 90.1 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.6 | -45.7 | 175.5 | -175 | 62.9 | -123.6 | 0 | 0 | 111.4 | C1177 I1181 A1182 H1183 R1186 P1218 | C1177-E1179 VanDerWaalsContact C-N 3.32Å; C1177-E1179 PolarHBondContact O-N 2.81Å; E1179-I1181 PolarHBondContact O-N 2.93Å; E1179-A1182 CarbonylContact O-C 3.59Å; E1179-A1182 PolarHBondContact O-N 3.15Å; E1179-H1183 WeakPolarHBondContact O-CB 3.26Å; E1179-H1183 PolarHBondContact O-N 2.77Å; E1179-R1186 IonicContact OE1-CZ 2.64Å; E1179-R1186 IonicContact OE1-NH2 3.17Å; E1179-R1186 PolarHBondContact OE1-NH2 3.47Å; E1179-P1218 HydrophobicContact CB-CG 4.31Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.45Å |
| 1180 | E | 95.5 | Very high | 90.8 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 179.4 | -174.6 | -175.8 | -175.6 | 0 | 0 | 111.7 | C1177 H1183 R1184 | C1177-E1180 HydrophobicContact CB-CB 3.88Å; C1177-E1180 PolarHBondContact O-N 3.45Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; E1180-H1183 PolarHBondContact O-N 3.09Å; E1180-R1184 HydrophobicContact CG-CG 4.28Å; E1180-R1184 WeakPolarHBondContact O-CB 3.09Å; E1180-R1184 WeakPolarHBondContact O-CG 3.43Å; E1180-R1184 PolarHBondContact O-N 3.19Å; E1180-R1184 IonicContact OE1-CZ 3.49Å; E1180-R1184 IonicContact OE1-NE 2.67Å; E1180-R1184 PolarHBondContact OE1-NE 2.95Å; E1180-R1184 IonicContact OE1-NH2 3.55Å; E1180-R1184 PolarHBondContact OE1-NH2 3.37Å |
| 1181 | I | 95.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.8 | -59.1 | 171.6 | 0 | 0 | 0 | 109.9 | L1176 C1177 E1179 H1183 R1184 T1185 M1235 Q1236 L1239 | L1176-I1181 HydrophobicContact CB-CD1 3.75Å; L1176-I1181 HydrophobicContact CD1-CD1 3.81Å; L1176-I1181 HydrophobicContact CD2-CD1 4.07Å; L1176-I1181 HydrophobicContact CG-CD1 4.1Å; C1177-I1181 VanDerWaalsContact O-CG1 3.3Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.39Å; C1177-I1181 PolarHBondContact O-N 3.41Å; E1179-I1181 PolarHBondContact O-N 2.93Å; I1181-H1183 VanDerWaalsContact C-N 3.27Å; I1181-H1183 PolarHBondContact O-N 2.9Å; I1181-R1184 PolarHBondContact O-N 2.93Å; I1181-T1185 WeakPolarHBondContact O-CB 3.45Å; I1181-T1185 PolarHBondContact O-N 3.15Å; I1181-T1185 PolarHBondContact O-OG1 3.03Å; I1181-M1235 HydrophobicContact CB-CE 4.31Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.63Å; I1181-M1235 HydrophobicContact CG2-CG 3.7Å; I1181-M1235 HydrophobicContact CG2-SD 4.37Å; I1181-Q1236 HydrophobicContact CD1-CB 4.49Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.28Å; I1181-L1239 HydrophobicContact CB-CD1 4.44Å; I1181-L1239 HydrophobicContact CG2-CD1 3.81Å |
| 1182 | A | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1178 E1179 R1186 L1215 P1218 M1235 | T1178-A1182 VanDerWaalsContact O-CB 3.29Å; T1178-A1182 WeakPolarHBondContact O-CB 3.48Å; T1178-A1182 PolarHBondContact O-N 2.94Å; T1178-A1182 VanDerWaalsContact O-N 3.15Å; E1179-A1182 CarbonylContact O-C 3.59Å; E1179-A1182 PolarHBondContact O-N 3.15Å; A1182-R1186 WeakPolarHBondContact O-CB 3.44Å; A1182-R1186 VanDerWaalsContact O-CG 3.26Å; A1182-R1186 WeakPolarHBondContact O-CG 3.38Å; A1182-R1186 PolarHBondContact O-N 3.28Å; A1182-R1186 PolarHBondContact O-NE 2.81Å; A1182-L1215 HydrophobicContact CB-CD2 4.09Å; A1182-P1218 HydrophobicContact CB-CB 3.98Å; A1182-P1218 HydrophobicContact CB-CG 3.84Å; A1182-M1235 HydrophobicContact CB-CE 4.34Å |
| 1183 | H | 96.4 | Very high | 92.3 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.5 | -51.7 | 174.2 | -173.1 | -96.8 | 0 | 0 | 0 | 112 | E1179 E1180 I1181 T1185 R1186 S1187 | E1179-H1183 WeakPolarHBondContact O-CB 3.26Å; E1179-H1183 PolarHBondContact O-N 2.77Å; E1180-H1183 PolarHBondContact O-N 3.09Å; I1181-H1183 VanDerWaalsContact C-N 3.27Å; I1181-H1183 PolarHBondContact O-N 2.9Å; H1183-T1185 VanDerWaalsContact C-N 3.3Å; H1183-T1185 PolarHBondContact O-N 2.91Å; H1183-R1186 WeakPolarHBondContact O-CB 3.5Å; H1183-R1186 PolarHBondContact O-N 3.08Å; H1183-R1186 VanDerWaalsContact O-N 3.15Å; H1183-S1187 PolarHBondContact O-N 3.16Å |
| 1184 | R | 95.7 | Very high | 92.7 | Very high | 127 Ų | 127 | 63.4 Ų | 63.4 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55 | -43.8 | 175.5 | -72.6 | 177.4 | 179.5 | -136.7 | 9.2 | 111.3 | E1180 I1181 S1187 I1188 L1239 | E1180-R1184 HydrophobicContact CG-CG 4.28Å; E1180-R1184 WeakPolarHBondContact O-CB 3.09Å; E1180-R1184 WeakPolarHBondContact O-CG 3.43Å; E1180-R1184 PolarHBondContact O-N 3.19Å; E1180-R1184 IonicContact OE1-CZ 3.49Å; E1180-R1184 IonicContact OE1-NE 2.67Å; E1180-R1184 PolarHBondContact OE1-NE 2.95Å; E1180-R1184 IonicContact OE1-NH2 3.55Å; E1180-R1184 PolarHBondContact OE1-NH2 3.37Å; I1181-R1184 PolarHBondContact O-N 2.93Å; R1184-S1187 WeakPolarHBondContact O-CB 3.45Å; R1184-S1187 PolarHBondContact O-N 3.07Å; R1184-I1188 PolarHBondContact O-N 3.01Å; R1184-L1239 HydrophobicContact CB-CD1 3.63Å; R1184-L1239 HydrophobicContact CB-CD2 4.01Å; R1184-L1239 HydrophobicContact CB-CG 4.49Å; R1184-L1239 HydrophobicContact CG-CD1 4.47Å |
| 1185 | T | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | I1181 H1183 S1187 I1188 L1189 F1199 L1215 M1235 F1238 L1239 | I1181-T1185 WeakPolarHBondContact O-CB 3.45Å; I1181-T1185 PolarHBondContact O-N 3.15Å; I1181-T1185 PolarHBondContact O-OG1 3.03Å; H1183-T1185 VanDerWaalsContact C-N 3.3Å; H1183-T1185 PolarHBondContact O-N 2.91Å; T1185-S1187 VanDerWaalsContact C-N 3.25Å; T1185-S1187 PolarHBondContact O-N 3.36Å; T1185-I1188 PolarHBondContact O-N 2.99Å; T1185-L1189 HydrophobicContact CG2-CD1 3.83Å; T1185-L1189 HydrophobicContact CG2-CG 4.02Å; T1185-L1189 WeakPolarHBondContact O-CB 3.43Å; T1185-L1189 WeakPolarHBondContact O-CG 3.46Å; T1185-L1189 PolarHBondContact O-N 3.19Å; T1185-F1199 HydrophobicContact CG2-CE1 3.81Å; T1185-F1199 HydrophobicContact CG2-CE2 4.14Å; T1185-F1199 HydrophobicContact CG2-CZ 3.61Å; T1185-L1215 HydrophobicContact CG2-CD2 4.24Å; T1185-M1235 HydrophobicContact CG2-CG 3.9Å; T1185-M1235 HydrophobicContact CG2-SD 3.73Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.48Å; T1185-F1238 HydrophobicContact CG2-CD1 4.48Å; T1185-F1238 HydrophobicContact CG2-CE1 4.41Å; T1185-L1239 WeakPolarHBondContact OG1-CD2 3.48Å |
| 1186 | R | 95.5 | Very high | 93.8 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 32% | 0.317 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 169.1 | -83.4 | 176 | -72.5 | 173.8 | -8.9 | 111.4 | E1179 A1182 H1183 S1190 L1215 | E1179-R1186 IonicContact OE1-CZ 2.64Å; E1179-R1186 IonicContact OE1-NH2 3.17Å; E1179-R1186 PolarHBondContact OE1-NH2 3.47Å; A1182-R1186 WeakPolarHBondContact O-CB 3.44Å; A1182-R1186 VanDerWaalsContact O-CG 3.26Å; A1182-R1186 WeakPolarHBondContact O-CG 3.38Å; A1182-R1186 PolarHBondContact O-N 3.28Å; A1182-R1186 PolarHBondContact O-NE 2.81Å; H1183-R1186 WeakPolarHBondContact O-CB 3.5Å; H1183-R1186 PolarHBondContact O-N 3.08Å; H1183-R1186 VanDerWaalsContact O-N 3.15Å; R1186-S1190 WeakPolarHBondContact O-CB 3.3Å; R1186-S1190 PolarHBondContact O-N 3.09Å; R1186-L1215 WeakPolarHBondContact CD-O 3.22Å; R1186-L1215 HydrophobicContact CG-CB 4.05Å; R1186-L1215 HydrophobicContact CG-CD1 4.29Å; R1186-L1215 HydrophobicContact CG-CD2 4.49Å; R1186-L1215 PolarHBondContact NE-O 3.3Å; R1186-L1215 VanDerWaalsContact NE-O 3.13Å |
| 1187 | S | 94.3 | Very high | 94 | Very high | 63 Ų | 63 | 66.3 Ų | 66.3 | 44% | 0.441 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -53.7 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 112 | H1183 R1184 T1185 L1189 S1190 Q1191 | H1183-S1187 PolarHBondContact O-N 3.16Å; R1184-S1187 WeakPolarHBondContact O-CB 3.45Å; R1184-S1187 PolarHBondContact O-N 3.07Å; T1185-S1187 VanDerWaalsContact C-N 3.25Å; T1185-S1187 PolarHBondContact O-N 3.36Å; S1187-L1189 PolarHBondContact O-N 3.37Å; S1187-S1190 WeakPolarHBondContact O-CB 3.33Å; S1187-S1190 PolarHBondContact O-N 3.28Å; S1187-S1190 VanDerWaalsContact O-N 3.12Å; S1187-Q1191 WeakPolarHBondContact O-CB 3.5Å; S1187-Q1191 PolarHBondContact O-N 3.06Å |
| 1188 | I | 92.5 | Very high | 94 | Very high | 30 Ų | 30 | 65 Ų | 65 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 178.6 | -68 | -171.2 | 0 | 0 | 0 | 112 | R1184 T1185 S1190 Q1191 Y1192 F1238 L1239 I1245 | R1184-I1188 PolarHBondContact O-N 3.01Å; T1185-I1188 PolarHBondContact O-N 2.99Å; I1188-S1190 VanDerWaalsContact C-N 3.25Å; I1188-S1190 PolarHBondContact O-N 3.09Å; I1188-Q1191 PolarHBondContact O-N 3.13Å; I1188-Y1192 HydrophobicContact CG2-CD2 3.83Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.29Å; I1188-Y1192 PolarHBondContact O-N 2.8Å; I1188-F1238 HydrophobicContact CB-CE1 4.49Å; I1188-F1238 HydrophobicContact CG2-CE1 3.89Å; I1188-F1238 HydrophobicContact CG2-CZ 3.86Å; I1188-L1239 HydrophobicContact CD1-CD2 3.64Å; I1188-L1239 HydrophobicContact CG1-CD2 4.39Å; I1188-I1245 HydrophobicContact CD1-CD1 4.37Å; I1188-I1245 HydrophobicContact CG2-CD1 3.79Å; I1188-I1245 HydrophobicContact CG2-CG1 4.18Å |
| 1189 | L | 93.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -33.1 | 177.1 | -67.2 | 179.4 | 0 | 0 | 0 | 112.2 | T1185 S1187 S1193 I1194 Q1196 F1199 L1215 | T1185-L1189 HydrophobicContact CG2-CD1 3.83Å; T1185-L1189 HydrophobicContact CG2-CG 4.02Å; T1185-L1189 WeakPolarHBondContact O-CB 3.43Å; T1185-L1189 WeakPolarHBondContact O-CG 3.46Å; T1185-L1189 PolarHBondContact O-N 3.19Å; S1187-L1189 PolarHBondContact O-N 3.37Å; L1189-S1193 CarbonylContact O-C 2.79Å; L1189-S1193 WeakPolarHBondContact O-CA 3.34Å; L1189-S1193 PolarHBondContact O-N 2.74Å; L1189-I1194 HydrophobicContact CD2-CB 3.75Å; L1189-I1194 HydrophobicContact CD2-CG2 3.6Å; L1189-I1194 PolarHBondContact O-N 2.9Å; L1189-Q1196 HydrophobicContact CD1-CG 4.31Å; L1189-F1199 HydrophobicContact CD1-CB 4.24Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CE1 4.28Å; L1189-F1199 HydrophobicContact CD1-CG 3.99Å; L1189-F1199 HydrophobicContact CD2-CB 3.66Å; L1189-F1199 HydrophobicContact CD2-CD1 4.41Å; L1189-F1199 HydrophobicContact CD2-CD2 4.01Å; L1189-F1199 HydrophobicContact CD2-CG 3.78Å; L1189-F1199 HydrophobicContact CG-CG 4.48Å; L1189-L1215 HydrophobicContact CD1-CD1 4.01Å |
| 1190 | S | 92.6 | Very high | 93.9 | Very high | 93 Ų | 93 | 60 Ų | 60 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -74.4 | -44.2 | 173.6 | -163.5 | 0 | 0 | 0 | 0 | 112.3 | R1186 S1187 I1188 Y1192 S1193 | R1186-S1190 WeakPolarHBondContact O-CB 3.3Å; R1186-S1190 PolarHBondContact O-N 3.09Å; S1187-S1190 WeakPolarHBondContact O-CB 3.33Å; S1187-S1190 PolarHBondContact O-N 3.28Å; S1187-S1190 VanDerWaalsContact O-N 3.12Å; I1188-S1190 VanDerWaalsContact C-N 3.25Å; I1188-S1190 PolarHBondContact O-N 3.09Å; S1190-Y1192 PolarHBondContact O-N 2.86Å; S1190-S1193 PolarHBondContact O-N 2.67Å |
| 1191 | Q | 91.9 | Very high | 93.6 | Very high | 130 Ų | 130 | 58 Ų | 58 | 61% | 0.607 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | -176.9 | -177.1 | -179 | 8.9 | 0 | 0 | 112.2 | S1187 I1188 | S1187-Q1191 WeakPolarHBondContact O-CB 3.5Å; S1187-Q1191 PolarHBondContact O-N 3.06Å; I1188-Q1191 PolarHBondContact O-N 3.13Å |
| 1192 | Y | 90.9 | Very high | 93.3 | Very high | 97 Ų | 97 | 61 Ų | 61 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.1 | 179.5 | -63.8 | -86.6 | 0 | 0 | 0 | 113 | I1188 S1190 I1194 I1245 L1249 | I1188-Y1192 HydrophobicContact CG2-CD2 3.83Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.29Å; I1188-Y1192 PolarHBondContact O-N 2.8Å; S1190-Y1192 PolarHBondContact O-N 2.86Å; Y1192-I1194 PolarHBondContact O-N 2.88Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.76Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.31Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.83Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.1Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.89Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.6Å; Y1192-L1249 HydrophobicContact CD1-CD1 4.18Å |
| 1193 | S | 91.1 | Very high | 93 | Very high | 74 Ų | 74 | 61.4 Ų | 61.4 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 22 | -176.4 | -64.7 | 0 | 0 | 0 | 0 | 115.3 | L1189 S1190 S1195 | L1189-S1193 CarbonylContact O-C 2.79Å; L1189-S1193 WeakPolarHBondContact O-CA 3.34Å; L1189-S1193 PolarHBondContact O-N 2.74Å; S1190-S1193 PolarHBondContact O-N 2.67Å; S1193-S1195 PolarHBondContact O-N 2.9Å |
| 1194 | I | 91.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | trans | -73.9 | 111.5 | -178.3 | -62.4 | 175.2 | 0 | 0 | 0 | 109 | L1189 Y1192 Q1196 L1198 F1199 I1245 L1248 L1249 | L1189-I1194 HydrophobicContact CD2-CB 3.75Å; L1189-I1194 HydrophobicContact CD2-CG2 3.6Å; L1189-I1194 PolarHBondContact O-N 2.9Å; Y1192-I1194 PolarHBondContact O-N 2.88Å; I1194-Q1196 PolarHBondContact O-N 3.03Å; I1194-L1198 HydrophobicContact CG2-CB 4.36Å; I1194-L1198 HydrophobicContact CG2-CD2 4.29Å; I1194-F1199 HydrophobicContact CG2-CB 4.36Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; I1194-L1248 HydrophobicContact CD1-CB 4.04Å; I1194-L1248 HydrophobicContact CD1-CD1 4.28Å; I1194-L1248 HydrophobicContact CG2-CB 4.48Å; I1194-L1248 HydrophobicContact CG2-CD1 4.13Å; I1194-L1249 HydrophobicContact CD1-CD2 4.31Å; I1194-L1249 HydrophobicContact CD1-CG 4.28Å; I1194-L1249 HydrophobicContact CG1-CD2 3.94Å; I1194-L1249 HydrophobicContact CG1-CG 4.44Å | ||
| 1195 | S | 93.3 | Very high | 92.5 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | trans | -60.8 | 139.3 | 179.5 | 77.9 | 0 | 0 | 0 | 0 | 112.1 | S1193 R1197 L1198 F1199 | S1193-S1195 PolarHBondContact O-N 2.9Å; S1195-R1197 PolarHBondContact O-N 3.14Å; S1195-L1198 WeakPolarHBondContact O-CB 3.35Å; S1195-L1198 PolarHBondContact O-N 2.95Å; S1195-L1198 PolarHBondContact OG-N 2.85Å; S1195-F1199 PolarHBondContact O-N 2.83Å | ||
| 1196 | Q | 94.2 | Very high | 92.4 | Very high | 55 Ų | 55 | 54.2 Ų | 54.2 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -51.9 | -23.6 | 172.3 | -70.5 | 178 | -9.2 | 0 | 0 | 113.5 | L1189 I1194 G1200 Q1208 V1211 L1215 | L1189-Q1196 HydrophobicContact CD1-CG 4.31Å; I1194-Q1196 PolarHBondContact O-N 3.03Å; Q1196-G1200 WeakPolarHBondContact O-CA 3.44Å; Q1196-G1200 PolarHBondContact O-N 3.35Å; Q1196-Q1208 HydrophobicContact CB-CG 4.12Å; Q1196-V1211 HydrophobicContact CB-CG1 3.95Å; Q1196-V1211 HydrophobicContact CG-CG1 4.16Å; Q1196-L1215 HydrophobicContact CG-CD1 4.27Å |
| 1197 | R | 93.7 | Very high | 92.3 | Very high | 177 Ų | 177 | 53.4 Ų | 53.4 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -72.3 | -37 | 175.7 | -176.4 | 176.4 | 175.2 | -174.3 | -5 | 112.8 | S1195 A1201 Q1208 | S1195-R1197 PolarHBondContact O-N 3.14Å; R1197-A1201 VanDerWaalsContact O-CB 3.29Å; R1197-A1201 WeakPolarHBondContact O-CB 3.42Å; R1197-A1201 PolarHBondContact O-N 3.27Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 4.07Å; R1197-Q1208 HydrophobicContact CG-CB 4.32Å |
| 1198 | L | 91.8 | Very high | 92.2 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.7 | -55.3 | 177.8 | -157.5 | 72.2 | 0 | 0 | 0 | 109.3 | I1194 S1195 G1200 A1201 Y1202 L1248 | I1194-L1198 HydrophobicContact CG2-CB 4.36Å; I1194-L1198 HydrophobicContact CG2-CD2 4.29Å; S1195-L1198 WeakPolarHBondContact O-CB 3.35Å; S1195-L1198 PolarHBondContact O-N 2.95Å; S1195-L1198 PolarHBondContact OG-N 2.85Å; L1198-G1200 VanDerWaalsContact C-N 3.32Å; L1198-G1200 PolarHBondContact O-N 2.99Å; L1198-A1201 PolarHBondContact O-N 3.37Å; L1198-A1201 VanDerWaalsContact O-N 3.07Å; L1198-Y1202 HydrophobicContact CD1-CD2 3.99Å; L1198-Y1202 HydrophobicContact CD1-CE2 3.67Å; L1198-Y1202 HydrophobicContact CG-CD2 4.02Å; L1198-Y1202 HydrophobicContact CG-CE2 4.19Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.35Å; L1198-Y1202 PolarHBondContact O-N 2.86Å; L1198-L1248 VanDerWaalsContact CD2-O 3.27Å; L1198-L1248 WeakPolarHBondContact CD2-O 3.34Å; L1198-L1248 HydrophobicContact CG-CD2 4.39Å |
| 1199 | F | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.6 | -45.3 | 174 | 174.6 | -107.8 | 0 | 0 | 0 | 112.8 | T1185 L1189 I1194 S1195 A1201 I1203 L1204 V1211 M1235 F1238 L1248 | T1185-F1199 HydrophobicContact CG2-CE1 3.81Å; T1185-F1199 HydrophobicContact CG2-CE2 4.14Å; T1185-F1199 HydrophobicContact CG2-CZ 3.61Å; L1189-F1199 HydrophobicContact CD1-CB 4.24Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CE1 4.28Å; L1189-F1199 HydrophobicContact CD1-CG 3.99Å; L1189-F1199 HydrophobicContact CD2-CB 3.66Å; L1189-F1199 HydrophobicContact CD2-CD1 4.41Å; L1189-F1199 HydrophobicContact CD2-CD2 4.01Å; L1189-F1199 HydrophobicContact CD2-CG 3.78Å; L1189-F1199 HydrophobicContact CG-CG 4.48Å; I1194-F1199 HydrophobicContact CG2-CB 4.36Å; S1195-F1199 PolarHBondContact O-N 2.83Å; F1199-A1201 PolarHBondContact O-N 3.09Å; F1199-I1203 HydrophobicContact CD2-CB 3.89Å; F1199-I1203 HydrophobicContact CD2-CG1 3.61Å; F1199-I1203 HydrophobicContact CD2-CG2 4.4Å; F1199-I1203 HydrophobicContact CE2-CB 3.81Å; F1199-I1203 HydrophobicContact CE2-CG1 3.86Å; F1199-I1203 HydrophobicContact CE2-CG2 3.82Å; F1199-I1203 HydrophobicContact CZ-CG2 4.4Å; F1199-I1203 WeakPolarHBondContact O-CB 3.45Å; F1199-I1203 PolarHBondContact O-N 3.37Å; F1199-L1204 HydrophobicContact CD1-CD1 4.18Å; F1199-L1204 HydrophobicContact CD1-CG 4.44Å; F1199-L1204 HydrophobicContact CE1-CD1 3.41Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.41Å; F1199-L1204 HydrophobicContact CE1-CG 3.81Å; F1199-L1204 HydrophobicContact CZ-CD1 3.89Å; F1199-L1204 HydrophobicContact CZ-CD2 4.18Å; F1199-L1204 HydrophobicContact CZ-CG 3.89Å; F1199-L1204 PolarHBondContact O-N 3.45Å; F1199-V1211 HydrophobicContact CD1-CG1 4.05Å; F1199-V1211 HydrophobicContact CE1-CG1 4.38Å; F1199-M1235 HydrophobicContact CE1-SD 4.34Å; F1199-M1235 HydrophobicContact CZ-CG 3.99Å; F1199-M1235 HydrophobicContact CZ-SD 4.16Å; F1199-F1238 HydrophobicContact CD2-CD1 4.37Å; F1199-F1238 HydrophobicContact CD2-CE1 4.33Å; F1199-F1238 HydrophobicContact CD2-CG 4.47Å; F1199-F1238 HydrophobicContact CD2-CZ 4.41Å; F1199-F1238 HydrophobicContact CE2-CB 4.27Å; F1199-F1238 AromaticContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD2 4.23Å; F1199-F1238 AromaticContact CE2-CE1 3.99Å; F1199-F1238 HydrophobicContact CE2-CE1 3.99Å; F1199-F1238 AromaticContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CZ 4.44Å; F1199-F1238 HydrophobicContact CZ-CD1 4.41Å; F1199-L1248 HydrophobicContact CD2-CD1 4.26Å |
| 1200 | G | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -61.7 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1196 L1198 G1205 L1206 | Q1196-G1200 WeakPolarHBondContact O-CA 3.44Å; Q1196-G1200 PolarHBondContact O-N 3.35Å; L1198-G1200 VanDerWaalsContact C-N 3.32Å; L1198-G1200 PolarHBondContact O-N 2.99Å; G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.48Å; G1200-G1205 PolarHBondContact O-N 3.31Å; G1200-L1206 CarbonylContact C-O 2.92Å; G1200-L1206 VanDerWaalsContact C-O 3.29Å; G1200-L1206 PolarHBondContact O-N 3.37Å |
| 1201 | A | 90.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | I | π-helix | trans | -71.2 | -41.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1197 L1198 F1199 | R1197-A1201 VanDerWaalsContact O-CB 3.29Å; R1197-A1201 WeakPolarHBondContact O-CB 3.42Å; R1197-A1201 PolarHBondContact O-N 3.27Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; L1198-A1201 PolarHBondContact O-N 3.37Å; L1198-A1201 VanDerWaalsContact O-N 3.07Å; F1199-A1201 PolarHBondContact O-N 3.09Å |
| 1202 | Y | 88.5 | Confident | 92.8 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 27% | 0.271 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -97.8 | -35.3 | -170 | -73.1 | -72.6 | 0 | 0 | 0 | 114.8 | V1160 L1198 L1248 | V1160-Y1202 HydrophobicContact CB-CD1 4.03Å; V1160-Y1202 HydrophobicContact CB-CE1 4.31Å; V1160-Y1202 HydrophobicContact CG1-CD1 4.44Å; V1160-Y1202 CarbonylContact O-C 3.23Å; V1160-Y1202 WeakPolarHBondContact O-CA 3.33Å; L1198-Y1202 HydrophobicContact CD1-CD2 3.99Å; L1198-Y1202 HydrophobicContact CD1-CE2 3.67Å; L1198-Y1202 HydrophobicContact CG-CD2 4.02Å; L1198-Y1202 HydrophobicContact CG-CE2 4.19Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.35Å; L1198-Y1202 PolarHBondContact O-N 2.86Å; Y1202-L1248 HydrophobicContact CD2-CD2 4.17Å; Y1202-L1248 HydrophobicContact CG-CD2 4.25Å |
| 1203 | I | 90.3 | Very high | 93 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -94.5 | -55.8 | -178.7 | -52.5 | -55.7 | 0 | 0 | 0 | 110.8 | L1162 F1199 R1234 F1238 L1248 | L1162-I1203 HydrophobicContact CD1-CB 4.41Å; L1162-I1203 HydrophobicContact CD1-CD1 4.16Å; L1162-I1203 HydrophobicContact CD1-CG2 3.86Å; F1199-I1203 HydrophobicContact CD2-CB 3.89Å; F1199-I1203 HydrophobicContact CD2-CG1 3.61Å; F1199-I1203 HydrophobicContact CD2-CG2 4.4Å; F1199-I1203 HydrophobicContact CE2-CB 3.81Å; F1199-I1203 HydrophobicContact CE2-CG1 3.86Å; F1199-I1203 HydrophobicContact CE2-CG2 3.82Å; F1199-I1203 HydrophobicContact CZ-CG2 4.4Å; F1199-I1203 WeakPolarHBondContact O-CB 3.45Å; F1199-I1203 PolarHBondContact O-N 3.37Å; I1203-R1234 HydrophobicContact CG2-CB 4.47Å; I1203-R1234 PolarHBondContact O-NH1 3.34Å; I1203-F1238 HydrophobicContact CD1-CD2 4.26Å; I1203-F1238 HydrophobicContact CG1-CD2 4.2Å; I1203-F1238 HydrophobicContact CG2-CB 4.04Å; I1203-L1248 HydrophobicContact CD1-CD1 4.14Å; I1203-L1248 HydrophobicContact CD1-CD2 4.29Å; I1203-L1248 HydrophobicContact CD1-CG 4.27Å; I1203-L1248 HydrophobicContact CG1-CD1 3.9Å; I1203-L1248 HydrophobicContact CG1-CD2 4.28Å; I1203-L1248 HydrophobicContact CG1-CG 4.44Å |
| 1204 | L | 92.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -91.3 | -18.7 | -169.8 | -58 | -172.7 | 0 | 0 | 0 | 114.6 | F1199 L1206 V1211 L1214 P1231 R1234 M1235 | F1199-L1204 HydrophobicContact CD1-CD1 4.18Å; F1199-L1204 HydrophobicContact CD1-CG 4.44Å; F1199-L1204 HydrophobicContact CE1-CD1 3.41Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.41Å; F1199-L1204 HydrophobicContact CE1-CG 3.81Å; F1199-L1204 HydrophobicContact CZ-CD1 3.89Å; F1199-L1204 HydrophobicContact CZ-CD2 4.18Å; F1199-L1204 HydrophobicContact CZ-CG 3.89Å; F1199-L1204 PolarHBondContact O-N 3.45Å; L1204-L1206 HydrophobicContact CB-CB 4.18Å; L1204-L1206 HydrophobicContact CB-CD1 4.07Å; L1204-L1206 HydrophobicContact CB-CG 3.94Å; L1204-L1206 HydrophobicContact CD1-CD1 4.23Å; L1204-L1206 PolarHBondContact O-N 3.17Å; L1204-V1211 HydrophobicContact CD1-CG2 4.14Å; L1204-L1214 HydrophobicContact CD1-CD2 4.06Å; L1204-P1231 VanDerWaalsContact CD2-O 3.29Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.3Å; L1204-R1234 HydrophobicContact CD2-CB 3.6Å; L1204-M1235 HydrophobicContact CD2-CB 4.43Å |
| 1205 | G | 90.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | trans | 67 | 16.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1200 | G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.48Å; G1200-G1205 PolarHBondContact O-N 3.31Å | ||
| 1206 | L | 93.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | trans | -101.7 | 161.9 | -173.8 | -66.4 | -177.3 | 0 | 0 | 0 | 112.9 | G1200 L1204 V1211 L1214 P1231 | G1200-L1206 CarbonylContact C-O 2.92Å; G1200-L1206 VanDerWaalsContact C-O 3.29Å; G1200-L1206 PolarHBondContact O-N 3.37Å; L1204-L1206 HydrophobicContact CB-CB 4.18Å; L1204-L1206 HydrophobicContact CB-CD1 4.07Å; L1204-L1206 HydrophobicContact CB-CG 3.94Å; L1204-L1206 HydrophobicContact CD1-CD1 4.23Å; L1204-L1206 PolarHBondContact O-N 3.17Å; L1206-V1211 HydrophobicContact CB-CG2 3.79Å; L1206-V1211 HydrophobicContact CD1-CG2 4.47Å; L1206-L1214 HydrophobicContact CD1-CD2 4.16Å; L1206-P1231 HydrophobicContact CD1-CB 4.31Å; L1206-P1231 HydrophobicContact CD1-CG 4.31Å | ||
| 1207 | S | 93.6 | Very high | 93.6 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | trans | -76.3 | 152.8 | 171.8 | 87.8 | 0 | 0 | 0 | 0 | 111.2 | G1209 S1210 V1211 | S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 3.44Å; S1207-S1210 WeakPolarHBondContact O-CA 3.41Å; S1207-S1210 WeakPolarHBondContact O-CB 3.35Å; S1207-S1210 PolarHBondContact O-N 3.22Å; S1207-S1210 PolarHBondContact OG-N 2.97Å; S1207-S1210 PolarHBondContact OG-OG 3.33Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.46Å; S1207-V1211 PolarHBondContact O-N 3.48Å | ||
| 1208 | Q | 92.1 | Very high | 93.7 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.8 | -37.3 | 178.5 | 178.9 | -84.2 | -40.8 | 0 | 0 | 112.8 | Q1196 R1197 V1211 S1212 | Q1196-Q1208 HydrophobicContact CB-CG 4.12Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 4.07Å; R1197-Q1208 HydrophobicContact CG-CB 4.32Å; Q1208-V1211 PolarHBondContact O-N 3.11Å; Q1208-S1212 WeakPolarHBondContact O-CB 3.03Å; Q1208-S1212 PolarHBondContact O-N 3.06Å |
| 1209 | G | 94.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 51 Ų | 51 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1207 V1211 S1212 D1213 | S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 3.44Å; G1209-V1211 VanDerWaalsContact C-N 3.27Å; G1209-V1211 PolarHBondContact O-N 3.07Å; G1209-S1212 WeakPolarHBondContact O-CA 3.49Å; G1209-S1212 WeakPolarHBondContact O-CB 3.25Å; G1209-S1212 PolarHBondContact O-N 3.46Å; G1209-D1213 PolarHBondContact O-N 2.95Å |
| 1210 | S | 94.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.8 | -35.5 | 176.7 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | S1207 L1214 | S1207-S1210 WeakPolarHBondContact O-CA 3.41Å; S1207-S1210 WeakPolarHBondContact O-CB 3.35Å; S1207-S1210 PolarHBondContact O-N 3.22Å; S1207-S1210 PolarHBondContact OG-N 2.97Å; S1207-S1210 PolarHBondContact OG-OG 3.33Å; S1210-L1214 WeakPolarHBondContact O-CB 3.37Å; S1210-L1214 PolarHBondContact O-N 3.06Å |
| 1211 | V | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.4 | -41.2 | 173.6 | 174 | 0 | 0 | 0 | 0 | 111.3 | Q1196 F1199 L1204 L1206 S1207 Q1208 G1209 D1213 L1214 L1215 | Q1196-V1211 HydrophobicContact CB-CG1 3.95Å; Q1196-V1211 HydrophobicContact CG-CG1 4.16Å; F1199-V1211 HydrophobicContact CD1-CG1 4.05Å; F1199-V1211 HydrophobicContact CE1-CG1 4.38Å; L1204-V1211 HydrophobicContact CD1-CG2 4.14Å; L1206-V1211 HydrophobicContact CB-CG2 3.79Å; L1206-V1211 HydrophobicContact CD1-CG2 4.47Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.46Å; S1207-V1211 PolarHBondContact O-N 3.48Å; Q1208-V1211 PolarHBondContact O-N 3.11Å; G1209-V1211 VanDerWaalsContact C-N 3.27Å; G1209-V1211 PolarHBondContact O-N 3.07Å; V1211-D1213 VanDerWaalsContact C-N 3.35Å; V1211-L1214 PolarHBondContact O-N 3.1Å; V1211-L1215 HydrophobicContact CG1-CD1 3.69Å; V1211-L1215 HydrophobicContact CG1-CG 4.19Å; V1211-L1215 WeakPolarHBondContact O-CB 3.41Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.32Å; V1211-L1215 PolarHBondContact O-N 3.09Å |
| 1212 | S | 96.8 | Very high | 93.8 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 30% | 0.301 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 175.3 | -169.3 | 0 | 0 | 0 | 0 | 111.6 | Q1208 G1209 A1216 | Q1208-S1212 WeakPolarHBondContact O-CB 3.03Å; Q1208-S1212 PolarHBondContact O-N 3.06Å; G1209-S1212 WeakPolarHBondContact O-CA 3.49Å; G1209-S1212 WeakPolarHBondContact O-CB 3.25Å; G1209-S1212 PolarHBondContact O-N 3.46Å; S1212-A1216 WeakPolarHBondContact O-CB 3.43Å; S1212-A1216 PolarHBondContact O-N 2.96Å |
| 1213 | D | 95.6 | Very high | 94 | Very high | 112 Ų | 112 | 63.4 Ų | 63.4 | 60% | 0.599 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.4 | -45.6 | 176.6 | -64.8 | -39.5 | 0 | 0 | 0 | 111.2 | G1209 V1211 L1215 A1216 R1217 | G1209-D1213 PolarHBondContact O-N 2.95Å; V1211-D1213 VanDerWaalsContact C-N 3.35Å; D1213-L1215 PolarHBondContact O-N 2.47Å; D1213-A1216 PolarHBondContact O-N 3.19Å; D1213-R1217 PolarHBondContact O-N 3.14Å |
| 1214 | L | 96.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 64 Ų | 64 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 179.2 | -175.2 | 71.5 | 0 | 0 | 0 | 112.7 | L1204 L1206 S1210 V1211 P1218 P1231 F1232 | L1204-L1214 HydrophobicContact CD1-CD2 4.06Å; L1206-L1214 HydrophobicContact CD1-CD2 4.16Å; S1210-L1214 WeakPolarHBondContact O-CB 3.37Å; S1210-L1214 PolarHBondContact O-N 3.06Å; V1211-L1214 PolarHBondContact O-N 3.1Å; L1214-P1218 WeakPolarHBondContact O-CA 3.42Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; L1214-F1232 HydrophobicContact CD1-CD2 4.44Å; L1214-F1232 HydrophobicContact CD1-CE2 3.53Å; L1214-F1232 HydrophobicContact CD1-CZ 3.57Å; L1214-F1232 HydrophobicContact CG-CE2 4.48Å; L1214-F1232 HydrophobicContact CG-CZ 4.19Å |
| 1215 | L | 96.5 | Very high | 94 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -80.8 | -25.1 | -179 | -69.8 | 177.6 | 0 | 0 | 0 | 113.5 | A1182 T1185 R1186 L1189 Q1196 V1211 D1213 M1235 | A1182-L1215 HydrophobicContact CB-CD2 4.09Å; T1185-L1215 HydrophobicContact CG2-CD2 4.24Å; R1186-L1215 WeakPolarHBondContact CD-O 3.22Å; R1186-L1215 HydrophobicContact CG-CB 4.05Å; R1186-L1215 HydrophobicContact CG-CD1 4.29Å; R1186-L1215 HydrophobicContact CG-CD2 4.49Å; R1186-L1215 PolarHBondContact NE-O 3.3Å; R1186-L1215 VanDerWaalsContact NE-O 3.13Å; L1189-L1215 HydrophobicContact CD1-CD1 4.01Å; Q1196-L1215 HydrophobicContact CG-CD1 4.27Å; V1211-L1215 HydrophobicContact CG1-CD1 3.69Å; V1211-L1215 HydrophobicContact CG1-CG 4.19Å; V1211-L1215 WeakPolarHBondContact O-CB 3.41Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.32Å; V1211-L1215 PolarHBondContact O-N 3.09Å; D1213-L1215 PolarHBondContact O-N 2.47Å; L1215-M1235 HydrophobicContact CD2-CE 4.16Å; L1215-M1235 HydrophobicContact CD2-SD 3.61Å |
| 1216 | A | 95.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -90.2 | -23.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1212 D1213 | S1212-A1216 WeakPolarHBondContact O-CB 3.43Å; S1212-A1216 PolarHBondContact O-N 2.96Å; D1213-A1216 PolarHBondContact O-N 3.19Å |
| 1217 | R | 94.2 | Very high | 93.4 | Very high | 217 Ų | 217 | 78.2 Ų | 78.2 | 82% | 0.819 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -144.5 | 62.6 | -178.9 | -62 | -175.5 | 179.8 | -179.9 | -2.1 | 111.6 | D1213 K1219 | D1213-R1217 PolarHBondContact O-N 3.14Å; R1217-K1219 PolarHBondContact O-N 3.09Å |
| 1218 | P | 95 | Very high | 93.3 | Very high | 13 Ų | 13 | 76 Ų | 76 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 124.6 | 179.4 | 29.5 | -35.1 | 0 | 0 | 0 | 110.3 | E1179 A1182 L1214 F1232 | E1179-P1218 HydrophobicContact CB-CG 4.31Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.45Å; A1182-P1218 HydrophobicContact CB-CB 3.98Å; A1182-P1218 HydrophobicContact CB-CG 3.84Å; L1214-P1218 WeakPolarHBondContact O-CA 3.42Å; P1218-F1232 HydrophobicContact CB-CE1 3.79Å; P1218-F1232 HydrophobicContact CB-CZ 3.69Å |
| 1219 | K | 94.5 | Very high | 93.4 | Very high | 137 Ų | 137 | 74.3 Ų | 74.3 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 138.6 | 174.3 | -69.5 | -172.9 | 174.5 | -169.3 | 0 | 110.1 | T1178 R1217 L1224 | T1178-K1219 WeakPolarHBondContact CB-O 3.44Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.14Å; T1178-K1219 PolarHBondContact OG1-O 3.33Å; T1178-K1219 VanDerWaalsContact OG1-O 3.07Å; R1217-K1219 PolarHBondContact O-N 3.09Å; K1219-L1224 HydrophobicContact CB-CD2 3.85Å; K1219-L1224 HydrophobicContact CB-CG 4.41Å |
| 1220 | P | 93.9 | Very high | 93.2 | Very high | 76 Ų | 76 | 75.8 Ų | 75.8 | 49% | 0.494 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 140.2 | 173 | -28.6 | 35.2 | 0 | 0 | 0 | 112.7 | T1178 K1222 L1223 L1224 | T1178-P1220 WeakPolarHBondContact OG1-CA 3.36Å; P1220-K1222 PolarHBondContact O-N 3.36Å; P1220-K1222 VanDerWaalsContact O-N 3.11Å; P1220-L1223 HydrophobicContact CG-CD1 4.43Å; P1220-L1223 WeakPolarHBondContact O-CA 3.43Å; P1220-L1223 WeakPolarHBondContact O-CB 3.49Å; P1220-L1223 PolarHBondContact O-N 3.4Å; P1220-L1224 PolarHBondContact O-N 3.24Å |
| 1221 | W | 94 | Very high | 93.2 | Very high | 15 Ų | 15 | 74.1 Ų | 74.1 | 6% | 0.057 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -49.8 | -40.5 | -175.4 | -174.9 | -105.2 | 0 | 0 | 0 | 114.8 | Y1173 S1174 L1176 T1178 L1223 L1224 R1229 F1232 I1233 | Y1173-W1221 WeakPolarHBondContact O-CH2 3.36Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; S1174-W1221 PolarHBondContact O-NE1 2.7Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.85Å; L1176-W1221 HydrophobicContact CB-CH2 4.28Å; L1176-W1221 HydrophobicContact CB-CZ3 3.89Å; L1176-W1221 HydrophobicContact CD1-CH2 3.88Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.8Å; L1176-W1221 HydrophobicContact CG-CH2 4.17Å; L1176-W1221 HydrophobicContact CG-CZ3 4.18Å; L1176-W1221 WeakPolarHBondContact O-CB 3.33Å; T1178-W1221 HydrophobicContact CG2-CB 4.02Å; T1178-W1221 HydrophobicContact CG2-CE3 3.94Å; W1221-L1223 PolarHBondContact O-N 3.23Å; W1221-L1224 HydrophobicContact CE3-CD1 4.08Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 3.45Å; W1221-R1229 HydrophobicContact CD2-CG 4.23Å; W1221-R1229 HydrophobicContact CE3-CB 4.42Å; W1221-R1229 HydrophobicContact CE3-CG 3.99Å; W1221-R1229 HydrophobicContact CH2-CB 3.61Å; W1221-R1229 HydrophobicContact CH2-CG 3.77Å; W1221-R1229 HydrophobicContact CZ2-CB 4.22Å; W1221-R1229 HydrophobicContact CZ2-CG 3.96Å; W1221-R1229 HydrophobicContact CZ3-CB 3.71Å; W1221-R1229 HydrophobicContact CZ3-CG 3.76Å; W1221-F1232 HydrophobicContact CZ3-CB 4.09Å; W1221-I1233 HydrophobicContact CH2-CD1 4.12Å; W1221-I1233 HydrophobicContact CH2-CG1 3.95Å |
| 1222 | K | 91.4 | Very high | 93.2 | Very high | 155 Ų | 155 | 74.1 Ų | 74.1 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.7 | 179.5 | -63.1 | 178.2 | -179.9 | 164.3 | 0 | 113.1 | E1175 P1220 | E1175-K1222 WeakPolarHBondContact OE1-CE 3.33Å; E1175-K1222 IonicContact OE1-NZ 2.75Å; E1175-K1222 PolarHBondContact OE1-NZ 3.33Å; E1175-K1222 IonicContact OE2-NZ 3.98Å; P1220-K1222 PolarHBondContact O-N 3.36Å; P1220-K1222 VanDerWaalsContact O-N 3.11Å |
| 1223 | L | 92.3 | Very high | 93 | Very high | 129 Ų | 129 | 72.2 Ų | 72.2 | 68% | 0.675 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -102.5 | 6.6 | 175.9 | -57.9 | 177.8 | 0 | 0 | 0 | 113.2 | P1220 W1221 | P1220-L1223 HydrophobicContact CG-CD1 4.43Å; P1220-L1223 WeakPolarHBondContact O-CA 3.43Å; P1220-L1223 WeakPolarHBondContact O-CB 3.49Å; P1220-L1223 PolarHBondContact O-N 3.4Å; W1221-L1223 PolarHBondContact O-N 3.23Å |
| 1224 | L | 91.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | trans | -95.4 | 125.8 | 173.5 | -66.8 | 176 | 0 | 0 | 0 | 111.1 | T1178 K1219 P1220 W1221 R1229 F1232 | T1178-L1224 HydrophobicContact CG2-CD1 3.75Å; K1219-L1224 HydrophobicContact CB-CD2 3.85Å; K1219-L1224 HydrophobicContact CB-CG 4.41Å; P1220-L1224 PolarHBondContact O-N 3.24Å; W1221-L1224 HydrophobicContact CE3-CD1 4.08Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 3.45Å; L1224-R1229 HydrophobicContact CB-CG 3.68Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.33Å; L1224-R1229 PolarHBondContact O-NH2 3.45Å; L1224-F1232 HydrophobicContact CD1-CD2 3.47Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.47Å; L1224-F1232 HydrophobicContact CD1-CE2 3.5Å; L1224-F1232 HydrophobicContact CD1-CG 4.42Å; L1224-F1232 HydrophobicContact CD1-CZ 4.48Å; L1224-F1232 HydrophobicContact CD2-CE2 4.25Å | ||
| 1225 | T | 90.9 | Very high | 92.7 | Very high | 105 Ų | 105 | 65.8 Ų | 65.8 | 64% | 0.644 | 32% | 0.324 | S | S | * | . | trans | -62.3 | 160.3 | 163.4 | 62.9 | 0 | 0 | 0 | 0 | 110.2 | K1227 G1228 R1229 | T1225-K1227 PolarHBondContact O-N 2.9Å; T1225-K1227 VanDerWaalsContact O-N 3.15Å; T1225-G1228 CarbonylContact O-C 3.42Å; T1225-G1228 VanDerWaalsContact O-CA 3.28Å; T1225-G1228 WeakPolarHBondContact O-CA 3.09Å; T1225-G1228 PolarHBondContact O-N 3.29Å; T1225-G1228 PolarHBondContact OG1-N 3.39Å; T1225-R1229 PolarHBondContact O-N 3.21Å | ||
| 1226 | Q | 85.7 | Confident | 92.5 | Very high | 107 Ų | 107 | 67 Ų | 67 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -52.6 | -41.8 | -178.8 | -157.5 | 71.1 | -15.5 | 0 | 0 | 112.9 | G1228 R1229 E1230 | Q1226-G1228 VanDerWaalsContact C-N 3.31Å; Q1226-G1228 PolarHBondContact O-N 2.91Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.31Å; Q1226-R1229 PolarHBondContact O-N 3.22Å; Q1226-E1230 PolarHBondContact O-N 3.21Å |
| 1227 | K | 86.1 | Confident | 92.2 | Very high | 175 Ų | 175 | 65.3 Ų | 65.3 | 76% | 0.761 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70 | -22.6 | 174.9 | -169 | 168.5 | -174.2 | 168.3 | 0 | 114.1 | T1225 | T1225-K1227 PolarHBondContact O-N 2.9Å; T1225-K1227 VanDerWaalsContact O-N 3.15Å |
| 1228 | G | 91.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -81.2 | -18.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | T1225 Q1226 | T1225-G1228 CarbonylContact O-C 3.42Å; T1225-G1228 VanDerWaalsContact O-CA 3.28Å; T1225-G1228 WeakPolarHBondContact O-CA 3.09Å; T1225-G1228 PolarHBondContact O-N 3.29Å; T1225-G1228 PolarHBondContact OG1-N 3.39Å; Q1226-G1228 VanDerWaalsContact C-N 3.31Å; Q1226-G1228 PolarHBondContact O-N 2.91Å |
| 1229 | R | 93.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 22% | 0.223 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -81.3 | -34.5 | 176.6 | -66 | 173.3 | -173.1 | -159.3 | -2.2 | 112.7 | W1221 L1224 T1225 Q1226 F1232 I1233 | W1221-R1229 HydrophobicContact CD2-CG 4.23Å; W1221-R1229 HydrophobicContact CE3-CB 4.42Å; W1221-R1229 HydrophobicContact CE3-CG 3.99Å; W1221-R1229 HydrophobicContact CH2-CB 3.61Å; W1221-R1229 HydrophobicContact CH2-CG 3.77Å; W1221-R1229 HydrophobicContact CZ2-CB 4.22Å; W1221-R1229 HydrophobicContact CZ2-CG 3.96Å; W1221-R1229 HydrophobicContact CZ3-CB 3.71Å; W1221-R1229 HydrophobicContact CZ3-CG 3.76Å; L1224-R1229 HydrophobicContact CB-CG 3.68Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.33Å; L1224-R1229 PolarHBondContact O-NH2 3.45Å; T1225-R1229 PolarHBondContact O-N 3.21Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.31Å; Q1226-R1229 PolarHBondContact O-N 3.22Å; R1229-F1232 WeakPolarHBondContact O-CA 3.38Å; R1229-F1232 PolarHBondContact O-N 2.87Å; R1229-I1233 HydrophobicContact CB-CD1 4.2Å; R1229-I1233 PolarHBondContact O-N 3.09Å |
| 1230 | E | 91.8 | Very high | 91.6 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 29% | 0.285 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -46 | -46.9 | 178.7 | 159.6 | 166.8 | -140.8 | 0 | 0 | 114.2 | L1165 Q1226 F1232 I1233 R1234 | L1165-E1230 HydrophobicContact CD1-CB 3.85Å; L1165-E1230 HydrophobicContact CD1-CG 3.69Å; L1165-E1230 HydrophobicContact CG-CG 4.35Å; Q1226-E1230 PolarHBondContact O-N 3.21Å; E1230-F1232 VanDerWaalsContact C-N 3.32Å; E1230-F1232 PolarHBondContact O-N 3.39Å; E1230-I1233 PolarHBondContact O-N 2.87Å; E1230-R1234 HydrophobicContact CG-CG 4.38Å; E1230-R1234 WeakPolarHBondContact O-CB 3.48Å; E1230-R1234 WeakPolarHBondContact O-CG 3.06Å; E1230-R1234 PolarHBondContact O-N 3.07Å; E1230-R1234 IonicContact OE1-CZ 2.65Å; E1230-R1234 IonicContact OE1-NE 3.96Å; E1230-R1234 PolarHBondContact OE1-NE 3.36Å; E1230-R1234 IonicContact OE1-NH2 3.82Å; E1230-R1234 PolarHBondContact OE1-NH2 2.86Å |
| 1231 | P | 94.1 | Very high | 91.1 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.4 | -38 | 175.8 | -27 | 36.2 | 0 | 0 | 0 | 114 | L1204 L1206 L1214 M1235 | L1204-P1231 VanDerWaalsContact CD2-O 3.29Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.3Å; L1206-P1231 HydrophobicContact CD1-CB 4.31Å; L1206-P1231 HydrophobicContact CD1-CG 4.31Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; P1231-M1235 WeakPolarHBondContact O-CB 3.39Å; P1231-M1235 PolarHBondContact O-N 2.75Å |
| 1232 | F | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74 | -34.4 | 177.4 | -68.8 | -84.7 | 0 | 0 | 0 | 112.2 | T1178 L1214 P1218 W1221 L1224 R1229 E1230 M1235 Q1236 | T1178-F1232 HydrophobicContact CG2-CD1 3.9Å; T1178-F1232 HydrophobicContact CG2-CD2 4.2Å; T1178-F1232 HydrophobicContact CG2-CE1 3.97Å; T1178-F1232 HydrophobicContact CG2-CE2 4.24Å; T1178-F1232 HydrophobicContact CG2-CG 4.03Å; T1178-F1232 HydrophobicContact CG2-CZ 4.14Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.48Å; L1214-F1232 HydrophobicContact CD1-CD2 4.44Å; L1214-F1232 HydrophobicContact CD1-CE2 3.53Å; L1214-F1232 HydrophobicContact CD1-CZ 3.57Å; L1214-F1232 HydrophobicContact CG-CE2 4.48Å; L1214-F1232 HydrophobicContact CG-CZ 4.19Å; P1218-F1232 HydrophobicContact CB-CE1 3.79Å; P1218-F1232 HydrophobicContact CB-CZ 3.69Å; W1221-F1232 HydrophobicContact CZ3-CB 4.09Å; L1224-F1232 HydrophobicContact CD1-CD2 3.47Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.47Å; L1224-F1232 HydrophobicContact CD1-CE2 3.5Å; L1224-F1232 HydrophobicContact CD1-CG 4.42Å; L1224-F1232 HydrophobicContact CD1-CZ 4.48Å; L1224-F1232 HydrophobicContact CD2-CE2 4.25Å; R1229-F1232 WeakPolarHBondContact O-CA 3.38Å; R1229-F1232 PolarHBondContact O-N 2.87Å; E1230-F1232 VanDerWaalsContact C-N 3.32Å; E1230-F1232 PolarHBondContact O-N 3.39Å; F1232-M1235 HydrophobicContact CD1-CE 3.46Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.46Å; F1232-M1235 HydrophobicContact CE1-CE 3.73Å; F1232-M1235 HydrophobicContact CG-CE 4.34Å; F1232-M1235 CarbonylContact O-C 3.59Å; F1232-M1235 WeakPolarHBondContact O-CB 3.5Å; F1232-M1235 PolarHBondContact O-N 2.94Å; F1232-Q1236 PolarHBondContact O-N 3.32Å |
| 1233 | I | 92.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -49 | 173.5 | -66.7 | 160 | 0 | 0 | 0 | 110.6 | L1165 D1169 I1170 Y1173 L1176 W1221 R1229 E1230 M1235 Q1236 L1237 | L1165-I1233 HydrophobicContact CD1-CB 3.82Å; L1165-I1233 HydrophobicContact CD1-CD1 4.31Å; L1165-I1233 HydrophobicContact CD1-CG2 3.6Å; L1165-I1233 HydrophobicContact CD2-CG2 3.96Å; L1165-I1233 HydrophobicContact CG-CG2 4.43Å; D1169-I1233 HydrophobicContact CB-CG2 4.35Å; I1170-I1233 HydrophobicContact CG1-CD1 4.26Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.83Å; Y1173-I1233 HydrophobicContact CE2-CG2 4.34Å; L1176-I1233 HydrophobicContact CD1-CG1 4.35Å; W1221-I1233 HydrophobicContact CH2-CD1 4.12Å; W1221-I1233 HydrophobicContact CH2-CG1 3.95Å; R1229-I1233 HydrophobicContact CB-CD1 4.2Å; R1229-I1233 PolarHBondContact O-N 3.09Å; E1230-I1233 PolarHBondContact O-N 2.87Å; I1233-M1235 PolarHBondContact O-N 2.96Å; I1233-Q1236 PolarHBondContact O-N 3.23Å; I1233-Q1236 VanDerWaalsContact O-N 3.15Å; I1233-L1237 HydrophobicContact CG2-CD1 4.09Å; I1233-L1237 WeakPolarHBondContact O-CG 3.35Å; I1233-L1237 PolarHBondContact O-N 3.32Å |
| 1234 | R | 92.2 | Very high | 89 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.3 | -36.4 | 173 | -70.7 | 170.1 | 176.2 | -86.6 | -10 | 111.8 | L1162 P1163 L1165 I1203 L1204 E1230 F1238 | L1162-R1234 PolarHBondContact O-NH1 3.45Å; L1162-R1234 PolarHBondContact O-NH2 3.3Å; P1163-R1234 PolarHBondContact O-NH2 2.9Å; L1165-R1234 HydrophobicContact CD1-CG 4.19Å; L1165-R1234 HydrophobicContact CD2-CG 3.88Å; L1165-R1234 HydrophobicContact CG-CG 4.12Å; I1203-R1234 HydrophobicContact CG2-CB 4.47Å; I1203-R1234 PolarHBondContact O-NH1 3.34Å; L1204-R1234 HydrophobicContact CD2-CB 3.6Å; E1230-R1234 HydrophobicContact CG-CG 4.38Å; E1230-R1234 WeakPolarHBondContact O-CB 3.48Å; E1230-R1234 WeakPolarHBondContact O-CG 3.06Å; E1230-R1234 PolarHBondContact O-N 3.07Å; E1230-R1234 IonicContact OE1-CZ 2.65Å; E1230-R1234 IonicContact OE1-NE 3.96Å; E1230-R1234 PolarHBondContact OE1-NE 3.36Å; E1230-R1234 IonicContact OE1-NH2 3.82Å; E1230-R1234 PolarHBondContact OE1-NH2 2.86Å; R1234-F1238 WeakPolarHBondContact O-CB 3.3Å; R1234-F1238 PolarHBondContact O-N 3.2Å |
| 1235 | M | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | 177.2 | -165 | 157.5 | 63.8 | 0 | 0 | 112.3 | I1181 A1182 T1185 F1199 L1204 L1215 P1231 F1232 I1233 F1238 L1239 | I1181-M1235 HydrophobicContact CB-CE 4.31Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.63Å; I1181-M1235 HydrophobicContact CG2-CG 3.7Å; I1181-M1235 HydrophobicContact CG2-SD 4.37Å; A1182-M1235 HydrophobicContact CB-CE 4.34Å; T1185-M1235 HydrophobicContact CG2-CG 3.9Å; T1185-M1235 HydrophobicContact CG2-SD 3.73Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.48Å; F1199-M1235 HydrophobicContact CE1-SD 4.34Å; F1199-M1235 HydrophobicContact CZ-CG 3.99Å; F1199-M1235 HydrophobicContact CZ-SD 4.16Å; L1204-M1235 HydrophobicContact CD2-CB 4.43Å; L1215-M1235 HydrophobicContact CD2-CE 4.16Å; L1215-M1235 HydrophobicContact CD2-SD 3.61Å; P1231-M1235 WeakPolarHBondContact O-CB 3.39Å; P1231-M1235 PolarHBondContact O-N 2.75Å; F1232-M1235 HydrophobicContact CD1-CE 3.46Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.46Å; F1232-M1235 HydrophobicContact CE1-CE 3.73Å; F1232-M1235 HydrophobicContact CG-CE 4.34Å; F1232-M1235 CarbonylContact O-C 3.59Å; F1232-M1235 WeakPolarHBondContact O-CB 3.5Å; F1232-M1235 PolarHBondContact O-N 2.94Å; I1233-M1235 PolarHBondContact O-N 2.96Å; M1235-F1238 WeakPolarHBondContact O-CB 3.45Å; M1235-F1238 PolarHBondContact O-N 3.42Å; M1235-L1239 WeakPolarHBondContact O-CG 3.27Å; M1235-L1239 PolarHBondContact O-N 3Å |
| 1236 | Q | 92.9 | Very high | 87.7 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 171.6 | -170.2 | 64.9 | 47.9 | 0 | 0 | 111.9 | Y1173 L1176 I1181 F1232 I1233 F1238 L1239 N1240 | Y1173-Q1236 HydrophobicContact CD1-CG 4.2Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.77Å; L1176-Q1236 HydrophobicContact CD1-CB 4.31Å; L1176-Q1236 HydrophobicContact CD2-CG 4.37Å; I1181-Q1236 HydrophobicContact CD1-CB 4.49Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.28Å; F1232-Q1236 PolarHBondContact O-N 3.32Å; I1233-Q1236 PolarHBondContact O-N 3.23Å; I1233-Q1236 VanDerWaalsContact O-N 3.15Å; Q1236-F1238 PolarHBondContact O-N 3.15Å; Q1236-L1239 PolarHBondContact O-N 2.96Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.14Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.21Å; Q1236-N1240 PolarHBondContact O-OD1 2.69Å |
| 1237 | L | 89.8 | Confident | 87.3 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -27.8 | 173.7 | -71.1 | 169 | 0 | 0 | 0 | 112.7 | L1165 D1169 Y1173 I1233 N1241 H1244 | L1165-L1237 HydrophobicContact CD2-CD1 3.76Å; D1169-L1237 HydrophobicContact CB-CD1 4.31Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.91Å; Y1173-L1237 HydrophobicContact CE2-CG 4.04Å; I1233-L1237 HydrophobicContact CG2-CD1 4.09Å; I1233-L1237 WeakPolarHBondContact O-CG 3.35Å; I1233-L1237 PolarHBondContact O-N 3.32Å; L1237-N1241 PolarHBondContact O-ND2 3.4Å; L1237-H1244 PolarHBondContact O-ND1 3.21Å |
| 1238 | F | 90.7 | Very high | 86.8 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.7 | -48.8 | 168.6 | 169.9 | -102.9 | 0 | 0 | 0 | 111.9 | T1185 I1188 F1199 I1203 R1234 M1235 Q1236 N1240 N1241 H1244 I1245 L1248 | T1185-F1238 HydrophobicContact CG2-CD1 4.48Å; T1185-F1238 HydrophobicContact CG2-CE1 4.41Å; I1188-F1238 HydrophobicContact CB-CE1 4.49Å; I1188-F1238 HydrophobicContact CG2-CE1 3.89Å; I1188-F1238 HydrophobicContact CG2-CZ 3.86Å; F1199-F1238 HydrophobicContact CD2-CD1 4.37Å; F1199-F1238 HydrophobicContact CD2-CE1 4.33Å; F1199-F1238 HydrophobicContact CD2-CG 4.47Å; F1199-F1238 HydrophobicContact CD2-CZ 4.41Å; F1199-F1238 HydrophobicContact CE2-CB 4.27Å; F1199-F1238 AromaticContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD2 4.23Å; F1199-F1238 AromaticContact CE2-CE1 3.99Å; F1199-F1238 HydrophobicContact CE2-CE1 3.99Å; F1199-F1238 AromaticContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CZ 4.44Å; F1199-F1238 HydrophobicContact CZ-CD1 4.41Å; I1203-F1238 HydrophobicContact CD1-CD2 4.26Å; I1203-F1238 HydrophobicContact CG1-CD2 4.2Å; I1203-F1238 HydrophobicContact CG2-CB 4.04Å; R1234-F1238 WeakPolarHBondContact O-CB 3.3Å; R1234-F1238 PolarHBondContact O-N 3.2Å; M1235-F1238 WeakPolarHBondContact O-CB 3.45Å; M1235-F1238 PolarHBondContact O-N 3.42Å; Q1236-F1238 PolarHBondContact O-N 3.15Å; F1238-N1240 VanDerWaalsContact C-N 3.27Å; F1238-N1240 PolarHBondContact O-N 3.26Å; F1238-N1241 PolarHBondContact O-N 2.82Å; F1238-H1244 HydrophobicContact CD2-CB 3.65Å; F1238-H1244 HydrophobicContact CE2-CB 4.1Å; F1238-I1245 HydrophobicContact CE2-CG1 4.01Å; F1238-I1245 HydrophobicContact CZ-CG1 3.98Å; F1238-L1248 HydrophobicContact CD2-CD1 4.3Å; F1238-L1248 HydrophobicContact CE2-CD1 3.58Å; F1238-L1248 HydrophobicContact CZ-CD1 4.2Å |
| 1239 | L | 91.7 | Very high | 86 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -32.7 | 178.3 | -68.4 | -178.9 | 0 | 0 | 0 | 113.4 | I1181 R1184 T1185 I1188 M1235 Q1236 | I1181-L1239 HydrophobicContact CB-CD1 4.44Å; I1181-L1239 HydrophobicContact CG2-CD1 3.81Å; R1184-L1239 HydrophobicContact CB-CD1 3.63Å; R1184-L1239 HydrophobicContact CB-CD2 4.01Å; R1184-L1239 HydrophobicContact CB-CG 4.49Å; R1184-L1239 HydrophobicContact CG-CD1 4.47Å; T1185-L1239 WeakPolarHBondContact OG1-CD2 3.48Å; I1188-L1239 HydrophobicContact CD1-CD2 3.64Å; I1188-L1239 HydrophobicContact CG1-CD2 4.39Å; M1235-L1239 WeakPolarHBondContact O-CG 3.27Å; M1235-L1239 PolarHBondContact O-N 3Å; Q1236-L1239 PolarHBondContact O-N 2.96Å |
| 1240 | N | 88.4 | Confident | 85.2 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.9 | -177 | -70.8 | -0.6 | 0 | 0 | 0 | 114.3 | Y1173 Q1236 F1238 | Y1173-N1240 PolarHBondContact OH-ND2 2.89Å; Y1173-N1240 VanDerWaalsContact OH-ND2 3.09Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.14Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.21Å; Q1236-N1240 PolarHBondContact O-OD1 2.69Å; F1238-N1240 VanDerWaalsContact C-N 3.27Å; F1238-N1240 PolarHBondContact O-N 3.26Å |
| 1241 | N | 83 | Confident | 84.2 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 35% | 0.348 | 26% | 0.26 | S | S | . | . | trans | -133.4 | 100.9 | -172.6 | -66.7 | -78.7 | 0 | 0 | 0 | 111 | L1237 F1238 D1243 H1244 | L1237-N1241 PolarHBondContact O-ND2 3.4Å; F1238-N1241 PolarHBondContact O-N 2.82Å; N1241-D1243 PolarHBondContact O-N 3.48Å; N1241-H1244 WeakPolarHBondContact O-CB 3.49Å; N1241-H1244 PolarHBondContact O-N 3.39Å | ||
| 1242 | P | 74.5 | Confident | 83.7 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.5 | -176.8 | 25.4 | -34.2 | 0 | 0 | 0 | 113 | H1244 I1245 I1246 | P1242-H1244 PolarHBondContact O-N 3.01Å; P1242-H1244 VanDerWaalsContact O-N 3.11Å; P1242-I1245 WeakPolarHBondContact O-CA 3.42Å; P1242-I1245 VanDerWaalsContact O-CB 3.23Å; P1242-I1245 WeakPolarHBondContact O-CB 3.45Å; P1242-I1245 PolarHBondContact O-N 3.34Å; P1242-I1246 PolarHBondContact O-N 3.12Å |
| 1243 | D | 79.2 | Confident | 83.1 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.3 | -28.2 | 174.2 | -61.4 | -2.6 | 0 | 0 | 0 | 113.6 | N1241 I1245 I1246 K1247 | N1241-D1243 PolarHBondContact O-N 3.48Å; D1243-I1245 VanDerWaalsContact C-N 3.26Å; D1243-I1245 PolarHBondContact O-N 2.97Å; D1243-I1246 PolarHBondContact O-N 3.22Å; D1243-K1247 WeakPolarHBondContact O-CB 3.44Å; D1243-K1247 WeakPolarHBondContact O-CD 3.5Å; D1243-K1247 VanDerWaalsContact O-CG 3.27Å; D1243-K1247 WeakPolarHBondContact O-CG 3.45Å; D1243-K1247 PolarHBondContact O-N 3.4Å |
| 1244 | H | 79.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 19% | 0.185 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.6 | -24.4 | 175.8 | -64.1 | 153.2 | 0 | 0 | 0 | 112.4 | L1237 F1238 N1241 P1242 L1248 | L1237-H1244 PolarHBondContact O-ND1 3.21Å; F1238-H1244 HydrophobicContact CD2-CB 3.65Å; F1238-H1244 HydrophobicContact CE2-CB 4.1Å; N1241-H1244 WeakPolarHBondContact O-CB 3.49Å; N1241-H1244 PolarHBondContact O-N 3.39Å; P1242-H1244 PolarHBondContact O-N 3.01Å; P1242-H1244 VanDerWaalsContact O-N 3.11Å; H1244-L1248 WeakPolarHBondContact O-CB 3.06Å; H1244-L1248 VanDerWaalsContact O-CG 3.26Å; H1244-L1248 WeakPolarHBondContact O-CG 3.23Å; H1244-L1248 PolarHBondContact O-N 3.19Å |
| 1245 | I | 79 | Confident | 82 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.6 | -47.7 | 170.8 | -51.2 | 175 | 0 | 0 | 0 | 108.8 | I1188 Y1192 I1194 F1238 P1242 D1243 K1247 L1248 L1249 | I1188-I1245 HydrophobicContact CD1-CD1 4.37Å; I1188-I1245 HydrophobicContact CG2-CD1 3.79Å; I1188-I1245 HydrophobicContact CG2-CG1 4.18Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.76Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.31Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.83Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.1Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.89Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.6Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; F1238-I1245 HydrophobicContact CE2-CG1 4.01Å; F1238-I1245 HydrophobicContact CZ-CG1 3.98Å; P1242-I1245 WeakPolarHBondContact O-CA 3.42Å; P1242-I1245 VanDerWaalsContact O-CB 3.23Å; P1242-I1245 WeakPolarHBondContact O-CB 3.45Å; P1242-I1245 PolarHBondContact O-N 3.34Å; D1243-I1245 VanDerWaalsContact C-N 3.26Å; D1243-I1245 PolarHBondContact O-N 2.97Å; I1245-K1247 PolarHBondContact O-N 3.24Å; I1245-L1248 PolarHBondContact O-N 3.26Å; I1245-L1249 HydrophobicContact CG2-CD1 4.08Å; I1245-L1249 WeakPolarHBondContact O-CG 3.38Å; I1245-L1249 PolarHBondContact O-N 2.92Å |
| 1246 | I | 77.5 | Confident | 81.2 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 177.8 | -56.9 | 176.4 | 0 | 0 | 0 | 110.7 | P1242 D1243 L1248 L1249 Q1250 | P1242-I1246 PolarHBondContact O-N 3.12Å; D1243-I1246 PolarHBondContact O-N 3.22Å; I1246-L1248 VanDerWaalsContact C-N 3.29Å; I1246-L1248 PolarHBondContact O-N 2.9Å; I1246-L1249 PolarHBondContact O-N 3Å; I1246-L1249 VanDerWaalsContact O-N 3.12Å; I1246-Q1250 WeakPolarHBondContact O-CG 3.45Å; I1246-Q1250 PolarHBondContact O-N 3.24Å |
| 1247 | K | 77.3 | Confident | 80.5 | Confident | 119 Ų | 119 | 65.5 Ų | 65.5 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -30 | 178 | -71.7 | 164 | -175.5 | 165.1 | 0 | 113.3 | D1243 I1245 | D1243-K1247 WeakPolarHBondContact O-CB 3.44Å; D1243-K1247 WeakPolarHBondContact O-CD 3.5Å; D1243-K1247 VanDerWaalsContact O-CG 3.27Å; D1243-K1247 WeakPolarHBondContact O-CG 3.45Å; D1243-K1247 PolarHBondContact O-N 3.4Å; I1245-K1247 PolarHBondContact O-N 3.24Å |
| 1248 | L | 75.3 | Confident | 79.8 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -77.1 | -33.9 | 172.1 | -76.9 | 174.9 | 0 | 0 | 0 | 112.8 | I1194 L1198 F1199 Y1202 I1203 F1238 H1244 I1245 I1246 Q1250 S1251 | I1194-L1248 HydrophobicContact CD1-CB 4.04Å; I1194-L1248 HydrophobicContact CD1-CD1 4.28Å; I1194-L1248 HydrophobicContact CG2-CB 4.48Å; I1194-L1248 HydrophobicContact CG2-CD1 4.13Å; L1198-L1248 VanDerWaalsContact CD2-O 3.27Å; L1198-L1248 WeakPolarHBondContact CD2-O 3.34Å; L1198-L1248 HydrophobicContact CG-CD2 4.39Å; F1199-L1248 HydrophobicContact CD2-CD1 4.26Å; Y1202-L1248 HydrophobicContact CD2-CD2 4.17Å; Y1202-L1248 HydrophobicContact CG-CD2 4.25Å; I1203-L1248 HydrophobicContact CD1-CD1 4.14Å; I1203-L1248 HydrophobicContact CD1-CD2 4.29Å; I1203-L1248 HydrophobicContact CD1-CG 4.27Å; I1203-L1248 HydrophobicContact CG1-CD1 3.9Å; I1203-L1248 HydrophobicContact CG1-CD2 4.28Å; I1203-L1248 HydrophobicContact CG1-CG 4.44Å; F1238-L1248 HydrophobicContact CD2-CD1 4.3Å; F1238-L1248 HydrophobicContact CE2-CD1 3.58Å; F1238-L1248 HydrophobicContact CZ-CD1 4.2Å; H1244-L1248 WeakPolarHBondContact O-CB 3.06Å; H1244-L1248 VanDerWaalsContact O-CG 3.26Å; H1244-L1248 WeakPolarHBondContact O-CG 3.23Å; H1244-L1248 PolarHBondContact O-N 3.19Å; I1245-L1248 PolarHBondContact O-N 3.26Å; I1246-L1248 VanDerWaalsContact C-N 3.29Å; I1246-L1248 PolarHBondContact O-N 2.9Å; L1248-Q1250 PolarHBondContact O-N 3.12Å; L1248-S1251 PolarHBondContact O-N 2.93Å; L1248-S1251 PolarHBondContact O-OG 2.95Å |
| 1249 | L | 75.4 | Confident | 78.9 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -71.4 | -20.8 | 175.6 | -69.2 | 169.7 | 0 | 0 | 0 | 112.3 | Y1192 I1194 I1245 I1246 | Y1192-L1249 HydrophobicContact CD1-CD1 4.18Å; I1194-L1249 HydrophobicContact CD1-CD2 4.31Å; I1194-L1249 HydrophobicContact CD1-CG 4.28Å; I1194-L1249 HydrophobicContact CG1-CD2 3.94Å; I1194-L1249 HydrophobicContact CG1-CG 4.44Å; I1245-L1249 HydrophobicContact CG2-CD1 4.08Å; I1245-L1249 WeakPolarHBondContact O-CG 3.38Å; I1245-L1249 PolarHBondContact O-N 2.92Å; I1246-L1249 PolarHBondContact O-N 3Å; I1246-L1249 VanDerWaalsContact O-N 3.12Å |
| 1250 | Q | 76.2 | Confident | 77.9 | Confident | 152 Ų | 152 | 76.7 Ų | 76.7 | 71% | 0.71 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -5.9 | 173.5 | -70.7 | 171.3 | -14.3 | 0 | 0 | 114.5 | I1246 L1248 | I1246-Q1250 WeakPolarHBondContact O-CG 3.45Å; I1246-Q1250 PolarHBondContact O-N 3.24Å; L1248-Q1250 PolarHBondContact O-N 3.12Å |
| 1251 | S | 69.5 | Low | 76.9 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | trans | -115.4 | 0 | -164.9 | 75.2 | 0 | 0 | 0 | 0 | 116.5 | L1248 | L1248-S1251 PolarHBondContact O-N 2.93Å; L1248-S1251 PolarHBondContact O-OG 2.95Å |
Retrieved 1,251 of 1,251 residues in 888.1 ms
(Link to these results)