| 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 | 31.8 | Very low | 34.2 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 100% | 1.182 | 82% | 0.818 | S | S | * | * | 0 | 145.6 | 0 | -79.7 | 178.7 | 149.8 | 0 | 0 | 108.2 | |||||
| 2 | P | 33 | Very low | 34.8 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | -100.6 | 124.3 | -113.4 | 32.3 | -35.4 | 0 | 0 | 0 | 115 | V4 | P2-V4 HydrophobicContact CB-CG2 4.19Š| |||
| 3 | T | 30.1 | Very low | 35.6 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -56.8 | 132.3 | 141.6 | 28.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | V | 36 | Very low | 36 | Very low | 135 Ų | 135 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -132.4 | 115.1 | 166.2 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | P2 | P2-V4 HydrophobicContact CB-CG2 4.19Š| ||
| 5 | S | 28.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -128.2 | 105.8 | -177.1 | 54.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | M | 33.7 | Very low | 36.7 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -159.1 | 160.5 | 162 | -76.7 | -153.5 | -57.9 | 0 | 0 | 107.8 | ||||
| 7 | A | 34.7 | Very low | 36.8 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 78% | 0.782 | S | S | * | * | cis | 177.6 | 146.3 | -32.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 8 | N | 34 | Very low | 36.8 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 32.8 | 111 | 169.5 | -63.7 | 18.9 | 0 | 0 | 0 | 118.8 | ||||
| 9 | F | 36.2 | Very low | 36.8 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 93% | 0.934 | 78% | 0.778 | S | S | * | * | trans | -117.4 | 138.5 | 134.2 | -91.5 | -84.6 | 0 | 0 | 0 | 108.5 | ||||
| 10 | D | 41.7 | Very low | 36.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -80.4 | 162.9 | -170.7 | -77.8 | -79 | 0 | 0 | 0 | 113.9 | ||||
| 11 | S | 35.9 | Very low | 36.7 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -41.3 | 131.6 | 175.1 | -43 | 0 | 0 | 0 | 0 | 114.9 | ||
| 12 | E | 41.8 | Very low | 36.9 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -174.9 | 0.4 | 140.3 | -98.8 | -56.2 | 84.7 | 0 | 0 | 113.6 | ||
| 13 | D | 44.8 | Very low | 37.1 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -115.9 | 5 | -173.3 | -106.3 | -48.3 | 0 | 0 | 0 | 116.6 | L15 | D13-L15 VanDerWaalsContact C-N 3.27Å; D13-L15 PolarHBondContact O-N 3.13Å; D13-L15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | L | 42.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 65% | 0.654 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 6.3 | -167.2 | -69.7 | 176.5 | 0 | 0 | 0 | 116.7 | ||
| 15 | L | 39.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -32.1 | 175.5 | -92.8 | 158.2 | 0 | 0 | 0 | 113.2 | D13 | D13-L15 VanDerWaalsContact C-N 3.27Å; D13-L15 PolarHBondContact O-N 3.13Å; D13-L15 VanDerWaalsContact O-N 3.1Å |
| 16 | S | 42.2 | Very low | 37.5 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -27.5 | -177.7 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 17 | A | 39.8 | Very low | 37.5 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -86.1 | -16.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 18 | R | 35.6 | Very low | 37.3 | Very low | 189 Ų | 189 | 140 Ų | 140 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -90 | -15.7 | -175.7 | -91.1 | -179.2 | 170.9 | 145.3 | -0.5 | 115.3 | ||
| 19 | L | 37.7 | Very low | 37.3 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -84.2 | -16.4 | -179.2 | -86.5 | 164.2 | 0 | 0 | 0 | 114.8 | ||
| 20 | L | 38.4 | Very low | 37.2 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -88.2 | -9.8 | 171.8 | -91.3 | 77.2 | 0 | 0 | 0 | 113.9 | ||
| 21 | S | 32.4 | Very low | 37.1 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 50% | 0.497 | 75% | 0.749 | S | S | . | * | S | Bend | trans | -94.8 | 4.8 | -173.9 | -169 | 0 | 0 | 0 | 0 | 114.9 | ||
| 22 | F | 37 | Very low | 36.8 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 82% | 0.82 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -119.5 | 9.5 | -175.3 | -98.1 | -77.7 | 0 | 0 | 0 | 115.1 | ||
| 23 | M | 36.4 | Very low | 36.5 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -126.6 | 14.6 | 171 | -67.9 | -172.3 | 67.4 | 0 | 0 | 113.1 | ||
| 24 | A | 36.7 | Very low | 35.6 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -147.6 | 65.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 25 | N | 32.1 | Very low | 35.1 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -164.9 | 137.9 | 162.5 | -95.8 | -43.4 | 0 | 0 | 0 | 109.3 | ||||
| 26 | G | 34.6 | Very low | 34.5 | Very low | 65 Ų | 65 | 141.7 Ų | 141.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 110.3 | 102.2 | -162 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 27 | D | 33 | Very low | 34 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | S | Bend | cis | -134.7 | 125.1 | 11.4 | -62.3 | -52.5 | 0 | 0 | 0 | 113 | ||
| 28 | Q | 31.2 | Very low | 33.5 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -154.2 | 113 | 155.6 | -73.2 | -160.6 | 9 | 0 | 0 | 110.8 | ||||
| 29 | S | 33.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -164.9 | 150.9 | 155.4 | 59.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 30 | N | 35.2 | Very low | 33 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 69.7 | 136.8 | 172.9 | -49.8 | -27.8 | 0 | 0 | 0 | 117 | ||||
| 31 | S | 38.7 | Very low | 32.9 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | -164.2 | 156.5 | -17.1 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 32 | E | 30.4 | Very low | 32.8 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | trans | -66.7 | 149.3 | -175.4 | -63 | 168.7 | 101.9 | 0 | 0 | 114.2 | ||||
| 33 | G | 34.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -175.5 | 80.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | Q | 27 | Very low | 32.5 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 144.1 | 171.8 | -63.2 | 176.3 | -12.7 | 0 | 0 | 111.2 | ||||
| 35 | Y | 31.5 | Very low | 32.3 | Very low | 241 Ų | 241 | 141.9 Ų | 141.9 | 95% | 0.945 | 79% | 0.79 | S | S | * | * | -160.3 | 174 | 128.4 | -91.7 | -56.7 | 0 | 0 | 0 | 110.3 | |||||
| 36 | H | 27.9 | Very low | 32.3 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -129.5 | 178.7 | -148.3 | -154.3 | -93 | 0 | 0 | 0 | 113.2 | ||||
| 37 | M | 31.2 | Very low | 32.3 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 83.4 | 152.1 | 170.1 | -44.6 | -56.7 | 177 | 0 | 0 | 117.1 | ||||
| 38 | S | 29.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | cis | -179.2 | 151.5 | -38.8 | -99 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 39 | G | 33.1 | Very low | 32.2 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | 121.4 | 110.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 40 | N | 29.4 | Very low | 32.1 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | 58.7 | 127.9 | 74.9 | -67.9 | 57 | 0 | 0 | 0 | 111.8 | |||||
| 41 | T | 36.8 | Very low | 31.9 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | cis | -145.5 | 155.9 | 48.5 | 45.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 42 | D | 30.4 | Very low | 31.6 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | -75.5 | 167.9 | 176.9 | -37.9 | -105.6 | 0 | 0 | 0 | 114.6 | ||||
| 43 | F | 35.2 | Very low | 31.5 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -163.2 | 116.5 | 135.5 | -104.8 | -64.4 | 0 | 0 | 0 | 114.5 | ||||
| 44 | N | 31.7 | Very low | 31.3 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | 26.4 | 122.4 | 145.2 | -71.1 | -3.1 | 0 | 0 | 0 | 121.3 | ||||
| 45 | T | 32 | Very low | 31.4 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | 95.5 | 148.4 | 42.9 | 64.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 46 | S | 31.5 | Very low | 31.4 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | 84.6 | 111.4 | 153.3 | 73.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 47 | N | 35.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | 171 | 122.2 | 108.5 | -79.6 | -47.6 | 0 | 0 | 0 | 108.3 | |||||
| 48 | F | 32.6 | Very low | 31.3 | Very low | 190 Ų | 190 | 124.3 Ų | 124.3 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | 57.2 | 134.7 | 66 | -72.8 | -70.1 | 0 | 0 | 0 | 113.6 | |||||
| 49 | C | 28 | Very low | 31.1 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | cis | -154.1 | 154.5 | 0.7 | -153.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 50 | S | 33.3 | Very low | 30.8 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | 166.4 | 136.5 | 87.3 | -84.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 51 | L | 29.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | 59.4 | 133.5 | 82.7 | -56.3 | 168.3 | 0 | 0 | 0 | 113.5 | |||||
| 52 | M | 32.5 | Very low | 30.3 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | cis | -167.1 | 163.9 | 15.2 | -131 | 164.4 | 75.5 | 0 | 0 | 112.2 | ||||
| 53 | S | 28.9 | Very low | 30.1 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 74% | 0.742 | S | S | * | * | trans | 52.2 | 155.8 | 142.2 | -74.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 54 | E | 31.1 | Very low | 29.8 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | cis | -156.7 | -178.5 | -4.8 | -126.6 | 158.4 | 118.8 | 0 | 0 | 111.7 | ||||
| 55 | S | 28.6 | Very low | 29.9 | Very low | 118 Ų | 118 | 127 Ų | 127 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -69 | 148.7 | -179.1 | 57.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 56 | G | 31.8 | Very low | 29.7 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -163.7 | 118.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 57 | N | 26.2 | Very low | 29.6 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 94% | 0.941 | 75% | 0.754 | S | S | * | * | trans | -75.4 | 124.7 | 170.6 | -73.6 | -40.2 | 0 | 0 | 0 | 110.7 | ||||
| 58 | A | 30.8 | Very low | 29.5 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 56% | 0.562 | 76% | 0.764 | S | S | * | * | trans | -156.6 | 129.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113 | F60 | A58-F60 HydrophobicContact CB-CD2 3.53Å; A58-F60 HydrophobicContact CB-CE2 3.31Å; A58-F60 HydrophobicContact CB-CZ 4.29Å; A58-F60 PolarHBondContact O-N 2.79Å | ||
| 59 | S | 24.7 | Very low | 29.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -74.7 | 101.7 | 170.6 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 60 | F | 27.3 | Very low | 29.4 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 75% | 0.746 | 77% | 0.768 | S | S | * | * | trans | -109.7 | 97.9 | 179 | -85.1 | -64.9 | 0 | 0 | 0 | 113.8 | A58 I62 | A58-F60 HydrophobicContact CB-CD2 3.53Å; A58-F60 HydrophobicContact CB-CE2 3.31Å; A58-F60 HydrophobicContact CB-CZ 4.29Å; A58-F60 PolarHBondContact O-N 2.79Å; F60-I62 HydrophobicContact CB-CD1 4.27Å; F60-I62 HydrophobicContact CB-CG1 3.95Å; F60-I62 PolarHBondContact O-N 3.33Å | ||
| 61 | N | 25.6 | Very low | 29.2 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 106.6 | 156.8 | -162.2 | -4.3 | 0 | 0 | 0 | 107.5 | ||||
| 62 | I | 29.9 | Very low | 29 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | -102.1 | 93.2 | -176 | -55.7 | -174.6 | 0 | 0 | 0 | 110.3 | F60 | F60-I62 HydrophobicContact CB-CD1 4.27Å; F60-I62 HydrophobicContact CB-CG1 3.95Å; F60-I62 PolarHBondContact O-N 3.33Å | ||
| 63 | N | 25.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -74.5 | 141.2 | 160 | -78 | -36.8 | 0 | 0 | 0 | 110.5 | ||||
| 64 | S | 29.7 | Very low | 28.9 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 34.8 | 112.4 | 146.2 | -51.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 65 | P | 33.3 | Very low | 29 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | -71.6 | 148.1 | 128.5 | 34.4 | -31.4 | 0 | 0 | 0 | 109.4 | |||||
| 66 | G | 28.2 | Very low | 29.1 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 148.3 | 97.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 67 | H | 28.4 | Very low | 29.2 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | trans | 45.4 | 110.7 | 165.6 | -68.8 | -103.8 | 0 | 0 | 0 | 119.2 | ||||
| 68 | R | 33 | Very low | 29.5 | Very low | 256 Ų | 256 | 142.2 Ų | 142.2 | 97% | 0.966 | 76% | 0.758 | S | S | * | * | -148.1 | 147.9 | 115.7 | -112.1 | 169.2 | -164.5 | -157.4 | 2.3 | 111.6 | |||||
| 69 | N | 25.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -128.1 | 109.9 | -165 | 176.6 | 11.2 | 0 | 0 | 0 | 109.3 | ||||
| 70 | V | 34.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | trans | -145.5 | 97.7 | 172.6 | -174.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 71 | Q | 27.7 | Very low | 30.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | 65 | 95.6 | 87.5 | -77.2 | -170.3 | -34.4 | 0 | 0 | 116 | |||||
| 72 | T | 25.6 | Very low | 31 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | 50.4 | 106 | 127.1 | 56.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 73 | S | 31.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | -159.2 | 121.7 | 126.7 | -74.9 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 74 | L | 27.4 | Very low | 31.2 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | 48.1 | 114.3 | 76.4 | -57.4 | 180 | 0 | 0 | 0 | 110.2 | |||||
| 75 | I | 33.1 | Very low | 31.2 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | -151.3 | 151.6 | 70.2 | -82.2 | 152.2 | 0 | 0 | 0 | 112.4 | |||||
| 76 | Y | 31 | Very low | 31 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -14.1 | 157.3 | 157.4 | -63.4 | -98.8 | 0 | 0 | 0 | 119.7 | ||||
| 77 | D | 34.7 | Very low | 31.5 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 57% | 0.572 | 76% | 0.758 | S | S | * | * | cis | -154.1 | 160.7 | 18.7 | -144.5 | -10.3 | 0 | 0 | 0 | 116.9 | ||||
| 78 | R | 33.2 | Very low | 31.5 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 41.7 | 107.5 | 143.8 | -91.6 | 162.8 | -173.3 | 167.2 | -3 | 121.9 | ||||
| 79 | T | 35.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 101.2 | 146.5 | 81.3 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 80 | S | 34.1 | Very low | 31.8 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -165.8 | 155.8 | -4.1 | 41.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | S | 33.9 | Very low | 31.6 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 49.5 | 128.3 | 147.5 | 60.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 82 | G | 34.9 | Very low | 32 | Very low | 66 Ų | 66 | 126.9 Ų | 126.9 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | cis | 152 | -172.6 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | I | 33 | Very low | 32.4 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | 42.4 | 105.6 | 159.9 | 49.8 | 174.3 | 0 | 0 | 0 | 118.5 | ||||
| 84 | S | 27 | Very low | 32.5 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | cis | 94 | 151 | 49.7 | 71.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 85 | L | 30.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 128.9 Ų | 128.9 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | trans | 85.2 | 106.6 | 160.4 | -62.2 | 165.7 | 0 | 0 | 0 | 119.8 | ||||
| 86 | S | 27.8 | Very low | 32.9 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | 85 | 153.7 | 123 | -60.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 87 | P | 40 | Very low | 33 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | trans | -105.7 | -170.4 | -171.4 | 43.3 | -37.3 | 0 | 0 | 0 | 113.8 | ||||
| 88 | S | 27.5 | Very low | 33.2 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | 75 | 154.7 | -179.3 | 86.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 89 | N | 28.6 | Very low | 33.3 | Very low | 134 Ų | 134 | 120.6 Ų | 120.6 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | -152.2 | -169.2 | 3.5 | -159.7 | 9 | 0 | 0 | 0 | 109.7 | ||||
| 90 | E | 36.1 | Very low | 32.9 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | 75.1 | 161.1 | 158 | -45.2 | -146.6 | -169.6 | 0 | 0 | 117.7 | ||||
| 91 | N | 31 | Very low | 33.1 | Very low | 137 Ų | 137 | 120.6 Ų | 120.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | -170.4 | 149.9 | -37.3 | -92.6 | -39.6 | 0 | 0 | 0 | 105.8 | ||||
| 92 | G | 34.3 | Very low | 32.9 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 145.6 | 70.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 93 | V | 33.8 | Very low | 32.7 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | 84.3 | 100.6 | 73.8 | 175.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 94 | Y | 34.4 | Very low | 32.6 | Very low | 231 Ų | 231 | 120.2 Ų | 120.2 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | 72.1 | 148.5 | 153.7 | -69.2 | -142.1 | 0 | 0 | 0 | 118.5 | ||||
| 95 | G | 34.5 | Very low | 33.2 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | 164 | 118.1 | -12.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 96 | G | 35 | Very low | 33.2 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 74.1 | 173.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 97 | V | 33.4 | Very low | 33.8 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | cis | -155.4 | 148.5 | -17.3 | 123.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 98 | P | 37.5 | Very low | 33.6 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -95.9 | 141 | -160.7 | 35.4 | -35.8 | 0 | 0 | 0 | 116.3 | ||||
| 99 | V | 34.9 | Very low | 34.1 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -146.6 | 141.3 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 100 | S | 28.2 | Very low | 34.9 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -95.6 | -164.6 | 176.2 | -26.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 101 | P | 37.7 | Very low | 34.7 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -125.7 | -122.9 | -25.2 | 33.3 | -11.2 | 0 | 0 | 0 | 110 | ||||
| 102 | I | 29.8 | Very low | 34.7 | Very low | 144 Ų | 144 | 117.6 Ų | 117.6 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 78.3 | 97.1 | 166.4 | -63 | 165 | 0 | 0 | 0 | 115.1 | ||||
| 103 | S | 30.7 | Very low | 34.6 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 69.2 | 104.6 | 101.1 | -51 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 104 | G | 32.4 | Very low | 34.3 | Very low | 74 Ų | 74 | 121 Ų | 121 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | 102.2 | -173.1 | 72.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 105 | P | 38.2 | Very low | 33.9 | Very low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -126.2 | -169.3 | -21.7 | 39.4 | -22.3 | 0 | 0 | 0 | 112 | ||||
| 106 | S | 31.9 | Very low | 33.8 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 54.5 | 133 | 155.2 | 58.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 107 | T | 40.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | -142.3 | 165.7 | 59.8 | 36 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 108 | P | 35.5 | Very low | 33.4 | Very low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -108.7 | 169 | -153.6 | 18.9 | 1.7 | 0 | 0 | 0 | 115.7 | ||||
| 109 | P | 37 | Very low | 33 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | trans | -77.6 | 156.9 | 175.3 | 33.6 | -36.7 | 0 | 0 | 0 | 113.2 | T111 | P109-T111 PolarHBondContact O-N 3.21Š| ||
| 110 | P | 45.8 | Very low | 32.9 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -71.7 | 113 | 166.5 | 29.8 | -32.1 | 0 | 0 | 0 | 110.3 | ||||
| 111 | T | 32.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 121 Ų | 121 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | trans | -87.6 | 154.4 | -180 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | P109 M113 | P109-T111 PolarHBondContact O-N 3.21Å; T111-M113 PolarHBondContact O-N 2.96Å | ||
| 112 | V | 31.1 | Very low | 32.8 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -26.5 | 123.7 | 168.4 | -177.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 113 | M | 31.2 | Very low | 33.1 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 86% | 0.862 | 74% | 0.742 | S | S | * | * | trans | -155 | 142.3 | 150.8 | -93.2 | 162.1 | 64.1 | 0 | 0 | 106.5 | T111 | T111-M113 PolarHBondContact O-N 2.96Š| ||
| 114 | S | 27.9 | Very low | 33.2 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 59% | 0.587 | 74% | 0.742 | S | S | * | * | cis | 158.4 | 127.8 | -23 | 46 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 115 | Q | 26.4 | Very low | 33.3 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | 73.9 | 148.1 | 155.5 | -167.6 | 173.6 | -16.6 | 0 | 0 | 119.2 | ||||
| 116 | A | 32.5 | Very low | 32.9 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | trans | 68 | 149.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 117 | D | 27.4 | Very low | 33.2 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | cis | -172.7 | 153.8 | -36.5 | -116.5 | -51.8 | 0 | 0 | 0 | 109 | ||||
| 118 | L | 32.8 | Very low | 32.7 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | 58.4 | 176.7 | 171.8 | -80.8 | 71.3 | 0 | 0 | 0 | 116.3 | ||||
| 119 | A | 29.2 | Very low | 32.8 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 57% | 0.57 | 75% | 0.745 | S | S | * | * | -168.8 | 163.4 | -50.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 120 | D | 33 | Very low | 32.5 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 63.6 | 160.7 | 152.8 | -62.6 | -15.4 | 0 | 0 | 0 | 120 | ||||
| 121 | N | 31.4 | Very low | 31.9 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 60% | 0.604 | 75% | 0.748 | S | S | * | * | cis | -164.9 | 135.4 | -31.5 | -102.5 | -35.1 | 0 | 0 | 0 | 111.1 | ||||
| 122 | F | 30.9 | Very low | 32.2 | Very low | 184 Ų | 184 | 141 Ų | 141 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 48.9 | 179.6 | 139.8 | -79.4 | -59.3 | 0 | 0 | 0 | 122.5 | ||||
| 123 | P | 37.7 | Very low | 32.6 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | cis | -134.3 | 169.6 | -34 | 32.2 | -13.4 | 0 | 0 | 0 | 116.4 | ||||
| 124 | N | 31.1 | Very low | 33 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 23.6 | 142.4 | 141.5 | -63.6 | -46.3 | 0 | 0 | 0 | 123.6 | ||||
| 125 | M | 35.8 | Very low | 33.1 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 82% | 0.823 | 76% | 0.761 | S | S | * | * | -153.3 | 167.3 | 118.2 | -113.8 | -58.1 | -130.4 | 0 | 0 | 113.2 | |||||
| 126 | R | 30 | Very low | 33.3 | Very low | 212 Ų | 212 | 140.3 Ų | 140.3 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -102.1 | 167.1 | -166.2 | -50.9 | 172.1 | 179.9 | 165.3 | -1.5 | 113.3 | ||||
| 127 | Y | 37.3 | Very low | 33.2 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | -172.8 | 157.2 | 106.4 | -113.7 | -89.6 | 0 | 0 | 0 | 113.4 | |||||
| 128 | N | 31.2 | Very low | 33.3 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -99.2 | 163.7 | 177.4 | -69.9 | -28.5 | 0 | 0 | 0 | 111.9 | ||||
| 129 | H | 37.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | 179.5 | 114.7 | 127 | -87.8 | -59 | 0 | 0 | 0 | 110.2 | |||||
| 130 | I | 30.6 | Very low | 33.4 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | 63.2 | 114.7 | 99.9 | -59.7 | -179.7 | 0 | 0 | 0 | 115.3 | |||||
| 131 | G | 33.6 | Very low | 33.8 | Very low | 74 Ų | 74 | 141.8 Ų | 141.8 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -179 | 127.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 132 | V | 37.2 | Very low | 34 | Very low | 140 Ų | 140 | 143 Ų | 143 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86 | 146.5 | -168.3 | 176 | 0 | 0 | 0 | 0 | 113.7 | ||
| 133 | P | 40 | Very low | 34.1 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 153.1 | 174.1 | 37.5 | -34.7 | 0 | 0 | 0 | 114.7 | ||
| 134 | P | 39.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 160.8 | 164.9 | 36.1 | -30.4 | 0 | 0 | 0 | 113.9 | ||
| 135 | Y | 30.6 | Very low | 34.1 | Very low | 216 Ų | 216 | 142 Ų | 142 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 166 | -168.6 | -95.9 | -105.3 | 0 | 0 | 0 | 115 | ||
| 136 | S | 30.8 | Very low | 34 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 69.9 | 157.5 | 149.4 | -69.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 137 | A | 29.7 | Very low | 34.2 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 81% | 0.808 | S | S | * | * | cis | -164.5 | 173.8 | -23.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | L | 29 | Very low | 34.1 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -9 | 140.8 | 157.3 | -45.5 | 170.2 | 0 | 0 | 0 | 116.3 | ||||
| 139 | T | 32.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | -160.6 | -161.7 | 56.4 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 140 | S | 32.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -100 | -160.2 | -165 | -42.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 141 | P | 42 | Very low | 34.5 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | -122.6 | 175.1 | -123.6 | 40 | -21.4 | 0 | 0 | 0 | 116.6 | |||||
| 142 | C | 34.3 | Very low | 34.6 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -162.5 | 172.8 | 152.4 | -127.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 143 | L | 33.3 | Very low | 34.4 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | trans | -103.9 | 156.5 | -174.3 | -72.1 | 149 | 0 | 0 | 0 | 112.9 | ||||
| 144 | G | 35.1 | Very low | 34.1 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 177 | 68.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 145 | N | 33.9 | Very low | 33.6 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 9 | 139.9 | 155.6 | -62.5 | -22 | 0 | 0 | 0 | 123.5 | ||||
| 146 | K | 34.7 | Very low | 33.7 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 128.7 | 127.8 | 109.7 | -122.7 | 179.8 | 179.9 | -176.2 | 0 | 117.9 | |||||
| 147 | L | 34.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 64.1 | 139.7 | 160.1 | -62.8 | 143.4 | 0 | 0 | 0 | 118.1 | ||||
| 148 | G | 34.5 | Very low | 33.6 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | cis | 173.9 | 169.8 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 149 | S | 35 | Very low | 33.6 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 78.2 | 91.2 | 161 | -162.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 150 | I | 33.8 | Very low | 33.3 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | 56 | 137.8 | 104.6 | -61.6 | 159.7 | 0 | 0 | 0 | 119.3 | |||||
| 151 | P | 38.1 | Very low | 33.2 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -149 | -157.8 | -29.3 | 40.5 | -16.2 | 0 | 0 | 0 | 115.4 | ||||
| 152 | Q | 36.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 105.4 | 101.4 | 151.9 | -54.9 | -131.5 | -34.2 | 0 | 0 | 123.5 | ||||
| 153 | H | 32.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | 70.4 | 125.9 | 124.2 | -64.1 | -51.7 | 0 | 0 | 0 | 126.1 | |||||
| 154 | S | 34.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 77.6 | 145.9 | 135.5 | -65.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 155 | L | 28.2 | Very low | 31.7 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -164.9 | 171.4 | -19.3 | -114.3 | 177.3 | 0 | 0 | 0 | 108.6 | ||||
| 156 | L | 31.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 75.4 | 100.2 | 166.2 | -49.7 | -172.3 | 0 | 0 | 0 | 120.5 | ||||
| 157 | N | 25.4 | Very low | 31.4 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | 47.1 | 109 | 116.6 | -169.7 | 26.6 | 0 | 0 | 0 | 120.8 | |||||
| 158 | L | 32.9 | Very low | 31.2 | Very low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -141 | 159.1 | 156.2 | -89.5 | 106.4 | 0 | 0 | 0 | 112.4 | ||||
| 159 | N | 28.9 | Very low | 30.9 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -79.9 | 166.6 | -178.6 | -61.4 | -65.2 | 0 | 0 | 0 | 114 | ||||
| 160 | N | 27.4 | Very low | 30.8 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 56.2 | 96.9 | 149.9 | -63.8 | -16 | 0 | 0 | 0 | 119.3 | ||||
| 161 | G | 29.7 | Very low | 30.6 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -162.2 | 137.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 162 | A | 30.2 | Very low | 30.4 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | cis | 74.5 | 105.2 | 34 | 0 | 0 | 0 | 0 | 0 | 114.1 | M729 | A162-M729 HydrophobicContact CB-CE 3.87Š| ||
| 163 | G | 27.5 | Very low | 30.1 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 109.7 | 144.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 164 | D | 28.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | trans | 68.2 | 124 | 141.4 | -83 | 26.7 | 0 | 0 | 0 | 124.7 | ||||
| 165 | R | 27.9 | Very low | 29.8 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 79.3 | -179.3 | 138.3 | -64.2 | 171.2 | -157.6 | -121.6 | -5.3 | 118.9 | ||||
| 166 | H | 33.1 | Very low | 30 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 71.6 | 83.4 | -170.9 | -49.3 | -75 | 0 | 0 | 0 | 112.2 | ||||
| 167 | S | 29 | Very low | 30 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 64.2 | 99.1 | 50.7 | -45.8 | 0 | 0 | 0 | 0 | 114.1 | Q169 | S167-Q169 PolarHBondContact O-N 3.08Š| |||
| 168 | L | 29.4 | Very low | 30.6 | Very low | 177 Ų | 177 | 146.6 Ų | 146.6 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | 36.9 | 73.4 | 147.9 | -59.5 | 177.8 | 0 | 0 | 0 | 118.4 | ||||
| 169 | Q | 28.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -156.1 | 112.1 | 152.3 | -110.3 | 155.1 | 35.5 | 0 | 0 | 111 | S167 | S167-Q169 PolarHBondContact O-N 3.08Š| ||
| 170 | N | 31.8 | Very low | 30.6 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -163.1 | 63.3 | 166.1 | -101.1 | -49.9 | 0 | 0 | 0 | 109 | ||||
| 171 | S | 30.5 | Very low | 31 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -75.6 | 137.5 | 161.5 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | F173 | S171-F173 PolarHBondContact O-N 3.39Š| ||
| 172 | P | 32.7 | Very low | 31 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -81 | 37 | -172.1 | 34.8 | -37.8 | 0 | 0 | 0 | 113.8 | ||
| 173 | F | 31 | Very low | 31.4 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -139.6 | 142 | 176.2 | -70.1 | -80 | 0 | 0 | 0 | 110.7 | S171 | S171-F173 PolarHBondContact O-N 3.39Š|
| 174 | Y | 26.6 | Very low | 31.5 | Very low | 202 Ų | 202 | 154 Ų | 154 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 118.5 | -170.1 | -72.6 | -95 | 0 | 0 | 0 | 116.9 | ||||
| 175 | N | 33.3 | Very low | 31.7 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -151 | 133.5 | 139.5 | -115.5 | -54.4 | 0 | 0 | 0 | 109.1 | ||||
| 176 | H | 33.3 | Very low | 31.9 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 148.7 | -179.9 | -79.5 | -87 | 0 | 0 | 0 | 111.4 | ||
| 177 | Y | 32.9 | Very low | 31.8 | Very low | 230 Ų | 230 | 155.4 Ų | 155.4 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 132.9 | 166 | -101.2 | -94.8 | 0 | 0 | 0 | 110.7 | ||
| 178 | P | 36.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 157.9 Ų | 157.9 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 131 | 166.6 | 32.4 | -31.6 | 0 | 0 | 0 | 110.1 | ||
| 179 | G | 32.9 | Very low | 32.3 | Very low | 72 Ų | 72 | 160.1 Ų | 160.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -117.8 | 109 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 180 | N | 30.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 157.4 Ų | 157.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -168 | 131.4 | 143.2 | -131.2 | -63.5 | 0 | 0 | 0 | 112.4 | ||||
| 181 | L | 36 | Very low | 32.8 | Very low | 169 Ų | 169 | 152.6 Ų | 152.6 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -162.8 | 139.3 | 144.4 | -113.2 | 169.5 | 0 | 0 | 0 | 108.7 | ||||
| 182 | Q | 29.8 | Very low | 33 | Very low | 163 Ų | 163 | 156 Ų | 156 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -95.1 | 144.5 | -166.8 | -57.9 | 152.8 | -67.2 | 0 | 0 | 112.1 | ||||
| 183 | T | 36.7 | Very low | 33 | Very low | 151 Ų | 151 | 156 Ų | 156 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -135 | 150.3 | 140.8 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 184 | H | 30.6 | Very low | 33.3 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -134.6 | 123.7 | -157.8 | 164.4 | 41.8 | 0 | 0 | 0 | 111.8 | ||||
| 185 | L | 33.6 | Very low | 33.5 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -144.6 | 149.1 | 157.5 | -76 | 177.6 | 0 | 0 | 0 | 109.3 | ||||
| 186 | Q | 30.7 | Very low | 33.9 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 66% | 0.659 | 80% | 0.801 | S | S | * | * | -171.1 | 117.1 | -55.3 | 162.2 | 170.9 | -1.3 | 0 | 0 | 107.4 | |||||
| 187 | R | 31.9 | Very low | 33.7 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -168.2 | 118 | 147.1 | -111.6 | -173.1 | -91.1 | -99.4 | 1.7 | 112.2 | ||||
| 188 | Q | 36.6 | Very low | 33.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | 48.8 | 106.3 | 147.1 | -61.9 | 160.4 | -77.7 | 0 | 0 | 117.9 | ||||
| 189 | Y | 32.4 | Very low | 33.3 | Very low | 224 Ų | 224 | 136.6 Ų | 136.6 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | 63.2 | 144.8 | 74.2 | -74.8 | -61.8 | 0 | 0 | 0 | 114.9 | |||||
| 190 | P | 36.5 | Very low | 33.2 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | cis | -119.7 | -177.3 | -39.2 | 36.7 | -20.7 | 0 | 0 | 0 | 110.3 | ||||
| 191 | G | 33.4 | Very low | 33.4 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | cis | 162.7 | -163.6 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 192 | L | 35.6 | Very low | 33.4 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 72.7 | 86.6 | 165.2 | -54 | -178.4 | 0 | 0 | 0 | 120.4 | ||||
| 193 | S | 32 | Very low | 33.6 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | 62.6 | 135.2 | 132.9 | 61.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 194 | P | 37.5 | Very low | 33.6 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -92 | 154 | 169 | 37.5 | -33.8 | 0 | 0 | 0 | 113.5 | ||||
| 195 | G | 31.5 | Very low | 34 | Very low | 71 Ų | 71 | 132 Ų | 132 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -163.3 | 135.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 196 | P | 41 | Very low | 34.1 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -100.9 | -179.2 | -171.2 | 39.7 | -37.2 | 0 | 0 | 0 | 114.5 | ||||
| 197 | A | 29.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | 88.9 | 137.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 198 | G | 29.3 | Very low | 34.3 | Very low | 59 Ų | 59 | 124 Ų | 124 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | 109.4 | 123 | 157 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 199 | T | 31.7 | Very low | 34.2 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 69.2 | 147.1 | 140.5 | 66.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 200 | L | 31.5 | Very low | 34 | Very low | 125 Ų | 125 | 115.5 Ų | 115.5 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | cis | -165.5 | 165.4 | -12.8 | -109.5 | 167 | 0 | 0 | 0 | 108.1 | ||||
| 201 | F | 32.8 | Very low | 33.8 | Very low | 176 Ų | 176 | 114.7 Ų | 114.7 | 77% | 0.772 | 77% | 0.769 | S | S | * | * | trans | 68.4 | 148.9 | 161.5 | -55.3 | -47.4 | 0 | 0 | 0 | 118.3 | ||||
| 202 | S | 36 | Very low | 33.6 | Very low | 84 Ų | 84 | 116.3 Ų | 116.3 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | cis | -161.2 | 151.1 | -11.7 | -109.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 203 | N | 35.4 | Very low | 33.4 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 61 | 141 | 161.9 | -52.7 | -19.2 | 0 | 0 | 0 | 116.7 | ||||
| 204 | G | 36.6 | Very low | 33.2 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | 151.2 | 162 | 5.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 205 | V | 38.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 87% | 0.867 | 75% | 0.754 | S | S | * | * | cis | -152.7 | 140.6 | -0.5 | -179.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 206 | G | 36.1 | Very low | 32.8 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | 76.1 | 130.2 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 207 | G | 35.2 | Very low | 32.2 | Very low | 61 Ų | 61 | 119 Ų | 119 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | cis | 155.8 | 154.6 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 208 | F | 31.4 | Very low | 32.3 | Very low | 218 Ų | 218 | 122 Ų | 122 | 96% | 0.956 | 74% | 0.738 | S | S | * | * | trans | 65 | 137.3 | 165.9 | -53.4 | -81.5 | 0 | 0 | 0 | 117.2 | ||||
| 209 | G | 34.5 | Very low | 32.3 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | -164.7 | 164.1 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 210 | T | 29.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -62.9 | 165.6 | 165.6 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 211 | T | 31 | Very low | 32 | Very low | 112 Ų | 112 | 125 Ų | 125 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | -177.4 | 126.6 | 67.7 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 212 | S | 29.6 | Very low | 31.8 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 43 | 152.6 | 145.9 | -49.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 213 | Q | 32 | Very low | 31.6 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | trans | 75.3 | 146.2 | 164.6 | -49.1 | -155.4 | 48.1 | 0 | 0 | 114.6 | ||||
| 214 | N | 27.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | cis | 171.8 | 171.8 | -14.9 | -173.3 | 2.1 | 0 | 0 | 0 | 102.6 | ||||
| 215 | L | 30.4 | Very low | 31.1 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | trans | 73.4 | 120.3 | 164.3 | -56.5 | 145.7 | 0 | 0 | 0 | 117.9 | ||||
| 216 | I | 30 | Very low | 30.6 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | 74.5 | 93.2 | 128.7 | -60.4 | 174.8 | 0 | 0 | 0 | 118.4 | |||||
| 217 | S | 29 | Very low | 30.4 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | 68.5 | 129.7 | 115.9 | -56 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 218 | K | 31.5 | Very low | 30.1 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | 72.8 | 118 | 134.6 | -73.4 | 179.2 | 178.3 | 179.6 | 0 | 120.6 | ||||
| 219 | N | 28.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | trans | 77.7 | 161.8 | 137.1 | -55.8 | 8 | 0 | 0 | 0 | 118.7 | ||||
| 220 | G | 29.1 | Very low | 30.2 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | 98.2 | 96.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 221 | L | 28.2 | Very low | 30.1 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | 59.8 | 103.2 | 71.4 | -58.7 | 175.4 | 0 | 0 | 0 | 111.3 | |||||
| 222 | Y | 28.4 | Very low | 30.4 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | 69.2 | 113.2 | 89.5 | -103.8 | -83 | 0 | 0 | 0 | 113 | |||||
| 223 | Q | 31.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | -168 | 151.8 | 109.9 | -102.3 | 167.1 | -0.2 | 0 | 0 | 111.7 | |||||
| 224 | D | 28.5 | Very low | 30.8 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -80.8 | 152.6 | 178.6 | -70.4 | -85.8 | 0 | 0 | 0 | 112.6 | ||||
| 225 | A | 33.4 | Very low | 31.2 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -153.5 | 103.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 226 | A | 28.3 | Very low | 31.2 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -95.6 | 138.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 227 | F | 30.8 | Very low | 31.3 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | trans | -141.5 | 101.4 | 162.5 | -96.1 | -73.9 | 0 | 0 | 0 | 113.1 | ||||
| 228 | S | 29.7 | Very low | 31.6 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | 17 | 120 | 145.3 | -56.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 229 | L | 32.9 | Very low | 31.7 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | 65 | 163.2 | 125.5 | -62.7 | 166.7 | 0 | 0 | 0 | 119.8 | |||||
| 230 | P | 34.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -135.7 | 160.5 | -41.1 | 36.6 | -21.7 | 0 | 0 | 0 | 114.4 | ||||
| 231 | G | 28.4 | Very low | 31.9 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 120.3 | 167.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 232 | F | 35.8 | Very low | 31.9 | Very low | 218 Ų | 218 | 141 Ų | 141 | 96% | 0.956 | 79% | 0.786 | S | S | * | * | trans | 73.5 | 130.8 | 178.3 | -64.3 | -82.6 | 0 | 0 | 0 | 119.5 | ||||
| 233 | R | 34.7 | Very low | 32 | Very low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -70.9 | 166.5 | 166.8 | -99.2 | -179.7 | 174.7 | -167.5 | -0.8 | 110.2 | ||||
| 234 | P | 35.3 | Very low | 31.8 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | cis | -152.5 | 173.8 | 43 | 43.3 | -21.9 | 0 | 0 | 0 | 120.3 | ||||
| 235 | T | 35.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 40.3 | 93.9 | 147.4 | 54.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 236 | N | 30.3 | Very low | 31.8 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | 33 | 115.7 | 108.4 | -168.3 | 24.9 | 0 | 0 | 0 | 120.2 | |||||
| 237 | S | 33.8 | Very low | 31.9 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | -176.9 | 128.6 | 116.9 | 47 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 238 | S | 34.3 | Very low | 31.8 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 33.5 | 145.1 | 148.5 | 55.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 239 | S | 32.7 | Very low | 32 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -144.4 | 113 | 12.7 | 43.9 | 0 | 0 | 0 | 0 | 115.1 | Y241 | S239-Y241 PolarHBondContact O-N 3.22Š| ||
| 240 | T | 33.6 | Very low | 31.8 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | 46.5 | 71.1 | 126.8 | -31.7 | 0 | 0 | 0 | 0 | 119.5 | C242 | T240-C242 VanDerWaalsContact CG2-SG 3.53Š| |||
| 241 | Y | 28.9 | Very low | 31.8 | Very low | 225 Ų | 225 | 147.1 Ų | 147.1 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | -69.9 | 143.7 | 126.2 | -109.6 | -108.6 | 0 | 0 | 0 | 108.2 | S239 | S239-Y241 PolarHBondContact O-N 3.22Š| |||
| 242 | C | 28.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 151.7 Ų | 151.7 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -124.4 | 104 | 164 | -83 | 0 | 0 | 0 | 0 | 109.5 | T240 | T240-C242 VanDerWaalsContact CG2-SG 3.53Š| ||
| 243 | P | 30.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 147 Ų | 147 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -90.2 | 167.5 | -178.2 | 36.4 | -35.5 | 0 | 0 | 0 | 113.2 | ||||
| 244 | Q | 27.3 | Very low | 31.1 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -66 | 124.2 | 171 | 174.4 | -176.6 | -7 | 0 | 0 | 112.3 | ||||
| 245 | R | 30.7 | Very low | 30.9 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | -157.9 | 127.6 | 155.9 | -99.3 | 172.4 | -178 | -161.6 | -3.3 | 106.7 | ||||
| 246 | E | 30.3 | Very low | 30.8 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | 57.8 | 90.5 | 64.6 | -70.4 | -65.4 | 160.7 | 0 | 0 | 112.5 | |||||
| 247 | L | 31.3 | Very low | 30.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -170 | 94.9 | 154.5 | -108.9 | 170.7 | 0 | 0 | 0 | 110.2 | ||||
| 248 | F | 28 | Very low | 30.7 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 77% | 0.772 | 77% | 0.77 | S | S | * | * | trans | -79.3 | 135.2 | 162.8 | -75.5 | -94 | 0 | 0 | 0 | 109.8 | T250 | F248-T250 PolarHBondContact O-N 3.15Š| ||
| 249 | P | 35.3 | Very low | 30.6 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -82.1 | 101.1 | 153.6 | 31.4 | -27 | 0 | 0 | 0 | 108.7 | I251 | P249-I251 PolarHBondContact O-N 3.13Å; P249-I251 VanDerWaalsContact O-N 3.16Å | ||
| 250 | T | 28.7 | Very low | 30.4 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 110.6 | 172.3 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | F248 | F248-T250 PolarHBondContact O-N 3.15Š| ||
| 251 | I | 33.6 | Very low | 30.3 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | trans | -125.1 | 126.5 | 165.6 | -60.5 | -178.2 | 0 | 0 | 0 | 107.1 | P249 | P249-I251 PolarHBondContact O-N 3.13Å; P249-I251 VanDerWaalsContact O-N 3.16Å | ||
| 252 | Q | 27.8 | Very low | 30.6 | Very low | 165 Ų | 165 | 140.9 Ų | 140.9 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -92.8 | 176.2 | 178.6 | -62.7 | 173.6 | -79.5 | 0 | 0 | 110.5 | ||||
| 253 | S | 28.9 | Very low | 30.7 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 71.1 | 155.2 | 178.3 | 90.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 254 | S | 28 | Very low | 31.1 | Very low | 81 Ų | 81 | 146 Ų | 146 | 57% | 0.566 | 78% | 0.777 | S | S | * | * | cis | -165.8 | 167.8 | -48.4 | 46.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 255 | H | 32 | Very low | 31.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | trans | 68.9 | 122.6 | 175.2 | -47.2 | -72.5 | 0 | 0 | 0 | 117.2 | ||||
| 256 | P | 32.5 | Very low | 32.8 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -99.5 | 112.9 | 171.3 | 34.6 | -27.1 | 0 | 0 | 0 | 111.6 | ||||
| 257 | S | 30.2 | Very low | 34.3 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -153.1 | 142.4 | 166 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 258 | N | 31.6 | Very low | 36.5 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | 67 | 103.8 | 157.4 | -58.2 | -11.8 | 0 | 0 | 0 | 120.3 | ||||
| 259 | S | 31.5 | Very low | 39.1 | Very low | 107 Ų | 107 | 118.5 Ų | 118.5 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | 58.5 | 88.3 | 122.7 | -176.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 260 | C | 29.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -121.8 | 74.3 | 153.1 | -80 | 0 | 0 | 0 | 0 | 110.5 | N262 | C260-N262 PolarHBondContact O-N 2.99Š| ||
| 261 | H | 31.5 | Very low | 44.3 | Very low | 191 Ų | 191 | 120.4 Ų | 120.4 | 88% | 0.884 | 68% | 0.684 | S | S | * | * | trans | -62.9 | 105.1 | 168.5 | -111.6 | -64.9 | 0 | 0 | 0 | 109.4 | ||||
| 262 | N | 34.6 | Very low | 47 | Very low | 127 Ų | 127 | 116.2 Ų | 116.2 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | trans | -127.8 | 142.3 | 169.8 | -84.8 | -74.5 | 0 | 0 | 0 | 109.4 | C260 V264 | C260-N262 PolarHBondContact O-N 2.99Å; N262-V264 PolarHBondContact O-N 2.98Å | ||
| 263 | F | 30.7 | Very low | 50 | Low | 222 Ų | 222 | 110.2 Ų | 110.2 | 97% | 0.974 | 63% | 0.633 | S | S | * | * | trans | -62.7 | 108.9 | -177.3 | -93.5 | -118.9 | 0 | 0 | 0 | 111.2 | ||||
| 264 | V | 37.9 | Very low | 53 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 67% | 0.667 | 62% | 0.618 | S | S | * | * | trans | -122 | 139.8 | 167.2 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | N262 L269 | N262-V264 PolarHBondContact O-N 2.98Å; V264-L269 HydrophobicContact CG1-CD2 3.9Å | ||
| 265 | G | 40.6 | Very low | 56.1 | Low | 53 Ų | 53 | 110.8 Ų | 110.8 | 55% | 0.546 | 62% | 0.616 | S | S | . | * | trans | -64.7 | 169.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G267 | G265-G267 PolarHBondContact O-N 3.09Š| ||
| 266 | P | 54.8 | Low | 59 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 75% | 0.753 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -75.3 | 36.4 | -166.8 | 33.7 | -39.6 | 0 | 0 | 0 | 115.1 | ||
| 267 | G | 61.4 | Low | 62 | Low | 30 Ų | 30 | 102 Ų | 102 | 31% | 0.309 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -103.7 | 147.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G265 L269 | G265-G267 PolarHBondContact O-N 3.09Å; G267-L269 PolarHBondContact O-N 3.43Å |
| 268 | L | 76.6 | Confident | 65 | Low | 36 Ų | 36 | 100.1 Ų | 100.1 | 19% | 0.188 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -64.9 | 123.7 | 174.5 | -176.9 | 69.7 | 0 | 0 | 0 | 108.9 | D272 R273 A326 L329 P380 | L268-D272 HydrophobicContact CD1-CB 3.6Å; L268-D272 HydrophobicContact CG-CB 4.09Å; L268-R273 HydrophobicContact CD2-CB 3.83Å; L268-R273 HydrophobicContact CD2-CG 4.32Å; L268-R273 HydrophobicContact CG-CB 4.21Å; L268-A326 PolarHBondContact N-O 3.11Å; L268-A326 VanDerWaalsContact N-O 3.09Å; L268-L329 HydrophobicContact CD2-CD1 4.38Å; L268-P380 HydrophobicContact CD1-CG 3.92Å; L268-P380 HydrophobicContact CD2-CG 3.7Å; L268-P380 HydrophobicContact CG-CG 4.44Å |
| 269 | L | 83.9 | Confident | 68 | Low | 89 Ų | 89 | 95.5 Ų | 95.5 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 150.9 | -178.5 | -56.1 | 176.2 | 0 | 0 | 0 | 110 | V264 G267 Q271 D272 R273 | V264-L269 HydrophobicContact CG1-CD2 3.9Å; G267-L269 PolarHBondContact O-N 3.43Å; L269-Q271 PolarHBondContact O-N 3.39Å; L269-D272 VanDerWaalsContact CB-OD2 3.31Å; L269-D272 WeakPolarHBondContact CB-OD2 3.26Å; L269-D272 PolarHBondContact O-N 3.03Å; L269-D272 VanDerWaalsContact O-N 3.17Å; L269-R273 WeakPolarHBondContact O-CB 3.34Å; L269-R273 PolarHBondContact O-N 3.3Å |
| 270 | M | 85.7 | Confident | 71.1 | Confident | 136 Ų | 136 | 90.4 Ų | 90.4 | 67% | 0.67 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59 | -34.9 | -179.8 | -171.8 | 63.7 | 75.9 | 0 | 0 | 111.6 | R273 L274 | M270-R273 PolarHBondContact O-N 2.82Å; M270-L274 HydrophobicContact CG-CD1 4.16Å; M270-L274 WeakPolarHBondContact O-CB 3.43Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.47Å; M270-L274 PolarHBondContact O-N 2.98Å |
| 271 | Q | 87 | Confident | 74.1 | Confident | 141 Ų | 141 | 90.8 Ų | 90.8 | 66% | 0.659 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | 177 | -170.9 | 61.7 | 17.4 | 0 | 0 | 111.9 | L269 R273 L274 H275 | L269-Q271 PolarHBondContact O-N 3.39Å; Q271-R273 VanDerWaalsContact C-N 3.33Å; Q271-R273 PolarHBondContact O-N 3.35Å; Q271-L274 PolarHBondContact O-N 2.91Å; Q271-H275 WeakPolarHBondContact O-CB 3.39Å; Q271-H275 PolarHBondContact O-N 3.42Å |
| 272 | D | 89.4 | Confident | 77.1 | Confident | 67 Ų | 67 | 90.5 Ų | 90.5 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 178.8 | -48.2 | -27.9 | 0 | 0 | 0 | 110.9 | L268 L269 L274 H275 Y276 | L268-D272 HydrophobicContact CD1-CB 3.6Å; L268-D272 HydrophobicContact CG-CB 4.09Å; L269-D272 VanDerWaalsContact CB-OD2 3.31Å; L269-D272 WeakPolarHBondContact CB-OD2 3.26Å; L269-D272 PolarHBondContact O-N 3.03Å; L269-D272 VanDerWaalsContact O-N 3.17Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.13Å; D272-H275 WeakPolarHBondContact O-CB 3.46Å; D272-H275 PolarHBondContact O-N 3.22Å; D272-Y276 WeakPolarHBondContact O-CB 3.34Å; D272-Y276 WeakPolarHBondContact O-CD2 3.43Å; D272-Y276 PolarHBondContact O-N 2.96Å |
| 273 | R | 91.7 | Very high | 79.9 | Confident | 39 Ų | 39 | 89.5 Ų | 89.5 | 15% | 0.147 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 174.3 | -176.2 | 173.5 | -70.1 | -80.6 | 1 | 112 | L268 L269 M270 Q271 Y277 A326 Y328 | L268-R273 HydrophobicContact CD2-CB 3.83Å; L268-R273 HydrophobicContact CD2-CG 4.32Å; L268-R273 HydrophobicContact CG-CB 4.21Å; L269-R273 WeakPolarHBondContact O-CB 3.34Å; L269-R273 PolarHBondContact O-N 3.3Å; M270-R273 PolarHBondContact O-N 2.82Å; Q271-R273 VanDerWaalsContact C-N 3.33Å; Q271-R273 PolarHBondContact O-N 3.35Å; R273-Y277 HydrophobicContact CG-CD2 4.23Å; R273-Y277 HydrophobicContact CG-CE2 3.7Å; R273-Y277 PolarHBondContact NH1-OH 2.99Å; R273-Y277 WeakPolarHBondContact O-CB 3.49Å; R273-Y277 WeakPolarHBondContact O-CD2 3.29Å; R273-Y277 VanDerWaalsContact O-CG 3.23Å; R273-Y277 PolarHBondContact O-N 3.13Å; R273-A326 PolarHBondContact NH2-O 3.22Å; R273-Y328 VanDerWaalsContact CZ-O 3.28Å; R273-Y328 PolarHBondContact NH1-O 2.76Å; R273-Y328 PolarHBondContact NH2-O 3.1Å |
| 274 | L | 91.1 | Very high | 82.9 | Confident | 96 Ų | 96 | 81.7 Ų | 81.7 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 175.1 | -72.2 | 169.8 | 0 | 0 | 0 | 111.9 | M270 Q271 D272 Y277 A278 | M270-L274 HydrophobicContact CG-CD1 4.16Å; M270-L274 WeakPolarHBondContact O-CB 3.43Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.47Å; M270-L274 PolarHBondContact O-N 2.98Å; Q271-L274 PolarHBondContact O-N 2.91Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.13Å; L274-Y277 PolarHBondContact O-N 3.3Å; L274-A278 PolarHBondContact O-N 2.93Å |
| 275 | H | 93.1 | Very high | 85.7 | Confident | 115 Ų | 115 | 77.2 Ų | 77.2 | 53% | 0.532 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 174.2 | 178.9 | 78.5 | 0 | 0 | 0 | 111.5 | Q271 D272 Y277 A278 I279 | Q271-H275 WeakPolarHBondContact O-CB 3.39Å; Q271-H275 PolarHBondContact O-N 3.42Å; D272-H275 WeakPolarHBondContact O-CB 3.46Å; D272-H275 PolarHBondContact O-N 3.22Å; H275-Y277 PolarHBondContact O-N 3.36Å; H275-A278 PolarHBondContact O-N 3.01Å; H275-A278 VanDerWaalsContact O-N 3.17Å; H275-I279 WeakPolarHBondContact NE2-CD1 3.49Å; H275-I279 WeakPolarHBondContact O-CG1 3.31Å; H275-I279 PolarHBondContact O-N 2.73Å |
| 276 | Y | 93.9 | Very high | 88.3 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 21% | 0.208 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 175.7 | -85.4 | -61.3 | 0 | 0 | 0 | 113.3 | D272 I279 A280 L329 P380 E381 M384 | D272-Y276 WeakPolarHBondContact O-CB 3.34Å; D272-Y276 WeakPolarHBondContact O-CD2 3.43Å; D272-Y276 PolarHBondContact O-N 2.96Å; Y276-I279 HydrophobicContact CD1-CD1 4.46Å; Y276-I279 PolarHBondContact O-N 3.1Å; Y276-A280 VanDerWaalsContact O-CB 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.37Å; Y276-A280 PolarHBondContact O-N 2.84Å; Y276-L329 HydrophobicContact CG-CD2 4.37Å; Y276-P380 HydrophobicContact CD1-CB 4Å; Y276-P380 HydrophobicContact CD2-CB 3.47Å; Y276-P380 VanDerWaalsContact CD2-CB 3.47Å; Y276-P380 HydrophobicContact CD2-CG 3.9Å; Y276-P380 HydrophobicContact CE1-CB 3.89Å; Y276-P380 HydrophobicContact CE2-CB 3.3Å; Y276-P380 HydrophobicContact CE2-CG 3.79Å; Y276-P380 HydrophobicContact CG-CB 3.81Å; Y276-E381 PolarHBondContact OH-OE1 2.79Å; Y276-M384 HydrophobicContact CD1-CG 4.42Å |
| 277 | Y | 94.8 | Very high | 90.2 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 18% | 0.184 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 171.4 | -72.2 | -21.8 | 0 | 0 | 0 | 112.9 | R273 L274 H275 A280 Q281 V287 L329 | R273-Y277 HydrophobicContact CG-CD2 4.23Å; R273-Y277 HydrophobicContact CG-CE2 3.7Å; R273-Y277 PolarHBondContact NH1-OH 2.99Å; R273-Y277 WeakPolarHBondContact O-CB 3.49Å; R273-Y277 WeakPolarHBondContact O-CD2 3.29Å; R273-Y277 VanDerWaalsContact O-CG 3.23Å; R273-Y277 PolarHBondContact O-N 3.13Å; L274-Y277 PolarHBondContact O-N 3.3Å; H275-Y277 PolarHBondContact O-N 3.36Å; Y277-A280 PolarHBondContact O-N 2.67Å; Y277-Q281 WeakPolarHBondContact O-CG 3.05Å; Y277-Q281 PolarHBondContact O-N 3.35Å; Y277-V287 HydrophobicContact CD1-CB 3.83Å; Y277-V287 HydrophobicContact CD1-CG1 3.81Å; Y277-V287 HydrophobicContact CD1-CG2 4.39Å; Y277-V287 HydrophobicContact CE1-CB 4.31Å; Y277-V287 HydrophobicContact CE1-CG1 4.39Å; Y277-V287 HydrophobicContact CG-CB 4.17Å; Y277-V287 HydrophobicContact CG-CG1 4.47Å; Y277-V287 HydrophobicContact CG-CG2 4.27Å; Y277-L329 HydrophobicContact CD1-CD1 3.72Å; Y277-L329 HydrophobicContact CD1-CG 4.46Å; Y277-L329 HydrophobicContact CE1-CD1 3.43Å; Y277-L329 VanDerWaalsContact CE1-CD1 3.43Å; Y277-L329 HydrophobicContact CE1-CG 4.11Å |
| 278 | A | 94.1 | Very high | 91.6 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L274 H275 K282 | L274-A278 PolarHBondContact O-N 2.93Å; H275-A278 PolarHBondContact O-N 3.01Å; H275-A278 VanDerWaalsContact O-N 3.17Å; A278-K282 PolarHBondContact O-N 3.47Å; A278-K282 VanDerWaalsContact O-N 3.07Å |
| 279 | I | 94.5 | Very high | 92.2 | Very high | 54 Ų | 54 | 72.5 Ų | 72.5 | 28% | 0.277 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 171.3 | -68.6 | 170.4 | 0 | 0 | 0 | 110.3 | H275 Y276 Q281 K282 H283 M384 | H275-I279 WeakPolarHBondContact NE2-CD1 3.49Å; H275-I279 WeakPolarHBondContact O-CG1 3.31Å; H275-I279 PolarHBondContact O-N 2.73Å; Y276-I279 HydrophobicContact CD1-CD1 4.46Å; Y276-I279 PolarHBondContact O-N 3.1Å; I279-Q281 VanDerWaalsContact C-N 3.33Å; I279-Q281 PolarHBondContact O-N 3.42Å; I279-K282 WeakPolarHBondContact O-CB 3.29Å; I279-K282 PolarHBondContact O-N 3.1Å; I279-K282 VanDerWaalsContact O-N 3.07Å; I279-H283 PolarHBondContact O-CD2 2.97Å; I279-H283 VanDerWaalsContact O-CD2 3.24Å; I279-H283 PolarHBondContact O-N 2.93Å; I279-H283 VanDerWaalsContact O-N 3.08Å; I279-M384 HydrophobicContact CG2-CE 3.71Å; I279-M384 HydrophobicContact CG2-SD 4.42Å |
| 280 | A | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y276 Y277 H283 G284 F285 V287 L331 M384 | Y276-A280 VanDerWaalsContact O-CB 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.37Å; Y276-A280 PolarHBondContact O-N 2.84Å; Y277-A280 PolarHBondContact O-N 2.67Å; A280-H283 CarbonylContact O-C 3.24Å; A280-H283 PolarHBondContact O-N 2.78Å; A280-G284 PolarHBondContact O-N 2.87Å; A280-F285 HydrophobicContact CB-CB 4.19Å; A280-F285 HydrophobicContact CB-CD2 4.24Å; A280-F285 WeakPolarHBondContact O-CB 3.3Å; A280-F285 PolarHBondContact O-N 3.04Å; A280-V287 HydrophobicContact CB-CG1 3.75Å; A280-L331 HydrophobicContact CB-CD2 3.54Å; A280-M384 HydrophobicContact CB-SD 4.07Å |
| 281 | Q | 93.9 | Very high | 93 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.4 | -40.7 | 173.5 | -74 | 175.7 | 5.9 | 0 | 0 | 112.4 | Y277 I279 H283 G284 V287 | Y277-Q281 WeakPolarHBondContact O-CG 3.05Å; Y277-Q281 PolarHBondContact O-N 3.35Å; I279-Q281 VanDerWaalsContact C-N 3.33Å; I279-Q281 PolarHBondContact O-N 3.42Å; Q281-H283 PolarHBondContact O-N 3.19Å; Q281-G284 PolarHBondContact O-N 2.7Å; Q281-V287 HydrophobicContact CG-CG2 3.56Å; Q281-V287 VanDerWaalsContact NE2-CG2 3.27Å |
| 282 | K | 94.3 | Very high | 93.1 | Very high | 186 Ų | 186 | 63.2 Ų | 63.2 | 81% | 0.809 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.4 | -30.2 | 174.9 | -174.4 | -176.6 | 176.3 | -174.6 | 0 | 112.4 | A278 I279 G284 | A278-K282 PolarHBondContact O-N 3.47Å; A278-K282 VanDerWaalsContact O-N 3.07Å; I279-K282 WeakPolarHBondContact O-CB 3.29Å; I279-K282 PolarHBondContact O-N 3.1Å; I279-K282 VanDerWaalsContact O-N 3.07Å; K282-G284 VanDerWaalsContact C-N 3.34Å |
| 283 | H | 93.9 | Very high | 93.1 | Very high | 105 Ų | 105 | 66.6 Ų | 66.6 | 49% | 0.486 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.2 | 172.4 | -72.6 | -78.3 | 0 | 0 | 0 | 114.2 | I279 A280 Q281 F285 | I279-H283 PolarHBondContact O-CD2 2.97Å; I279-H283 VanDerWaalsContact O-CD2 3.24Å; I279-H283 PolarHBondContact O-N 2.93Å; I279-H283 VanDerWaalsContact O-N 3.08Å; A280-H283 CarbonylContact O-C 3.24Å; A280-H283 PolarHBondContact O-N 2.78Å; Q281-H283 PolarHBondContact O-N 3.19Å; H283-F285 VanDerWaalsContact C-N 3.34Å; H283-F285 HydrophobicContact CB-CD2 3.87Å; H283-F285 HydrophobicContact CB-CE2 3.62Å; H283-F285 HydrophobicContact CB-CG 4.44Å; H283-F285 HydrophobicContact CB-CZ 4Å |
| 284 | G | 93.5 | Very high | 93 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 14.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A280 Q281 K282 | A280-G284 PolarHBondContact O-N 2.87Å; Q281-G284 PolarHBondContact O-N 2.7Å; K282-G284 VanDerWaalsContact C-N 3.34Å |
| 285 | F | 96.7 | Very high | 92.9 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 7% | 0.07 | 33% | 0.326 | C | S | . | . | trans | -81.9 | 142.9 | 174.7 | -52.6 | -39.8 | 0 | 0 | 0 | 111.4 | A280 H283 L331 V333 M384 A387 A391 | A280-F285 HydrophobicContact CB-CB 4.19Å; A280-F285 HydrophobicContact CB-CD2 4.24Å; A280-F285 WeakPolarHBondContact O-CB 3.3Å; A280-F285 PolarHBondContact O-N 3.04Å; H283-F285 VanDerWaalsContact C-N 3.34Å; H283-F285 HydrophobicContact CB-CD2 3.87Å; H283-F285 HydrophobicContact CB-CE2 3.62Å; H283-F285 HydrophobicContact CB-CG 4.44Å; H283-F285 HydrophobicContact CB-CZ 4Å; F285-L331 HydrophobicContact CD2-CD1 4.45Å; F285-V333 HydrophobicContact CD1-CG2 4.16Å; F285-V333 HydrophobicContact CE1-CG2 4.36Å; F285-M384 HydrophobicContact CD2-CE 4.22Å; F285-M384 HydrophobicContact CD2-SD 4.17Å; F285-M384 HydrophobicContact CE2-CE 3.82Å; F285-M384 HydrophobicContact CE2-SD 4.23Å; F285-A387 HydrophobicContact CD1-CB 4.19Å; F285-A387 HydrophobicContact CD2-CB 3.78Å; F285-A387 HydrophobicContact CE1-CB 3.97Å; F285-A387 HydrophobicContact CE2-CB 3.52Å; F285-A387 HydrophobicContact CG-CB 4.13Å; F285-A387 HydrophobicContact CZ-CB 3.64Å; F285-A391 HydrophobicContact CE1-CB 4.02Å | ||
| 286 | I | 95.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 128.7 | -177.9 | -57.9 | 176.1 | 0 | 0 | 0 | 109.6 | E290 L291 I294 L331 G332 R334 V373 | I286-E290 HydrophobicContact CG2-CB 3.79Å; I286-E290 HydrophobicContact CG2-CG 3.52Å; I286-L291 HydrophobicContact CG2-CB 4.12Å; I286-L291 HydrophobicContact CG2-CD1 4.38Å; I286-I294 HydrophobicContact CD1-CD1 3.78Å; I286-I294 HydrophobicContact CG2-CD1 3.99Å; I286-L331 CarbonylContact O-C 3.46Å; I286-G332 PolarHBondContact N-O 2.89Å; I286-G332 PolarHBondContact O-N 3.24Å; I286-R334 HydrophobicContact CD1-CB 4.13Å; I286-V373 HydrophobicContact CD1-CG1 4.21Å; I286-V373 HydrophobicContact CD1-CG2 3.89Å |
| 287 | V | 94.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | trans | -140.4 | 170.2 | -179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | Y277 A280 Q281 A289 L331 | Y277-V287 HydrophobicContact CD1-CB 3.83Å; Y277-V287 HydrophobicContact CD1-CG1 3.81Å; Y277-V287 HydrophobicContact CD1-CG2 4.39Å; Y277-V287 HydrophobicContact CE1-CB 4.31Å; Y277-V287 HydrophobicContact CE1-CG1 4.39Å; Y277-V287 HydrophobicContact CG-CB 4.17Å; Y277-V287 HydrophobicContact CG-CG1 4.47Å; Y277-V287 HydrophobicContact CG-CG2 4.27Å; A280-V287 HydrophobicContact CB-CG1 3.75Å; Q281-V287 HydrophobicContact CG-CG2 3.56Å; Q281-V287 VanDerWaalsContact NE2-CG2 3.27Å; V287-A289 PolarHBondContact O-N 3.04Å; V287-L331 HydrophobicContact CG1-CD2 3.49Å; V287-L331 VanDerWaalsContact CG1-CD2 3.49Å | ||
| 288 | G | 89.2 | Confident | 90.6 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | 58 | -133.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | E290 L291 E292 | G288-E290 VanDerWaalsContact C-N 3.28Å; G288-E290 PolarHBondContact O-N 3.39Å; G288-L291 PolarHBondContact O-N 3.06Å; G288-L291 VanDerWaalsContact O-N 3.11Å; G288-E292 PolarHBondContact O-N 2.92Å |
| 289 | A | 90.3 | Very high | 89.5 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.5 | -29.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | V287 R293 | V287-A289 PolarHBondContact O-N 3.04Å; A289-R293 WeakPolarHBondContact O-CG 3.5Å; A289-R293 PolarHBondContact O-N 3.12Å |
| 290 | E | 92.3 | Very high | 88.2 | Confident | 76 Ų | 76 | 68.5 Ų | 68.5 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.3 | -41.5 | 174.5 | -179.1 | 160.5 | -126.6 | 0 | 0 | 111.9 | I286 G288 E292 R293 I294 | I286-E290 HydrophobicContact CG2-CB 3.79Å; I286-E290 HydrophobicContact CG2-CG 3.52Å; G288-E290 VanDerWaalsContact C-N 3.28Å; G288-E290 PolarHBondContact O-N 3.39Å; E290-E292 VanDerWaalsContact C-N 3.3Å; E290-E292 PolarHBondContact O-N 3.39Å; E290-R293 VanDerWaalsContact CG-NH2 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.14Å; E290-R293 PolarHBondContact O-N 2.85Å; E290-R293 VanDerWaalsContact O-N 3.15Å; E290-R293 IonicContact OE1-NH2 3.63Å; E290-R293 PolarHBondContact OE1-NH2 3.02Å; E290-R293 VanDerWaalsContact OE1-NH2 3.07Å; E290-I294 HydrophobicContact CG-CD1 4.02Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å |
| 291 | L | 93.5 | Very high | 86.5 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 176.4 | -169.1 | 60.7 | 0 | 0 | 0 | 111.2 | I286 G288 I294 K295 Q330 I375 | I286-L291 HydrophobicContact CG2-CB 4.12Å; I286-L291 HydrophobicContact CG2-CD1 4.38Å; G288-L291 PolarHBondContact O-N 3.06Å; G288-L291 VanDerWaalsContact O-N 3.11Å; L291-I294 PolarHBondContact O-N 2.75Å; L291-K295 HydrophobicContact CG-CD 3.96Å; L291-K295 WeakPolarHBondContact O-CB 3.39Å; L291-K295 WeakPolarHBondContact O-CD 3.36Å; L291-K295 VanDerWaalsContact O-CG 3.28Å; L291-K295 WeakPolarHBondContact O-CG 3.4Å; L291-K295 PolarHBondContact O-N 3.1Å; L291-Q330 VanDerWaalsContact CD2-C 3.49Å; L291-Q330 HydrophobicContact CD2-CB 3.93Å; L291-Q330 VanDerWaalsContact CD2-O 3.31Å; L291-Q330 WeakPolarHBondContact CD2-O 3.48Å; L291-I375 HydrophobicContact CD1-CG1 4.13Å; L291-I375 HydrophobicContact CD1-CG2 4.27Å |
| 292 | E | 89.9 | Confident | 84.7 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 174 | -66.1 | -56.6 | 158.2 | 0 | 0 | 113.1 | G288 E290 I294 K295 E296 | G288-E292 PolarHBondContact O-N 2.92Å; E290-E292 VanDerWaalsContact C-N 3.3Å; E290-E292 PolarHBondContact O-N 3.39Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 3.02Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-K295 IonicContact OE1-NZ 2.65Å; E292-K295 PolarHBondContact OE1-NZ 2.95Å; E292-K295 WeakPolarHBondContact OE2-CE 2.88Å; E292-K295 IonicContact OE2-NZ 2.97Å; E292-K295 PolarHBondContact OE2-NZ 3.21Å; E292-E296 VanDerWaalsContact O-CB 3.28Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.18Å |
| 293 | R | 90 | Very high | 82.6 | Confident | 139 Ų | 139 | 63 Ų | 63 | 53% | 0.525 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 173.2 | -75.6 | -172.1 | -64.1 | 106.3 | -4.3 | 111.8 | A289 E290 E296 N297 | A289-R293 WeakPolarHBondContact O-CG 3.5Å; A289-R293 PolarHBondContact O-N 3.12Å; E290-R293 VanDerWaalsContact CG-NH2 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.14Å; E290-R293 PolarHBondContact O-N 2.85Å; E290-R293 VanDerWaalsContact O-N 3.15Å; E290-R293 IonicContact OE1-NH2 3.63Å; E290-R293 PolarHBondContact OE1-NH2 3.02Å; E290-R293 VanDerWaalsContact OE1-NH2 3.07Å; R293-E296 PolarHBondContact O-N 3.01Å; R293-N297 VanDerWaalsContact O-CG 3.27Å; R293-N297 PolarHBondContact O-N 3.1Å |
| 294 | I | 89 | Confident | 80.7 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.7 | -44.7 | 179.7 | -65.5 | 162.8 | 0 | 0 | 0 | 110.7 | I286 E290 L291 E292 E296 N297 S298 V373 | I286-I294 HydrophobicContact CD1-CD1 3.78Å; I286-I294 HydrophobicContact CG2-CD1 3.99Å; E290-I294 HydrophobicContact CG-CD1 4.02Å; E290-I294 WeakPolarHBondContact O-CG1 3.43Å; E290-I294 PolarHBondContact O-N 3.39Å; L291-I294 PolarHBondContact O-N 2.75Å; E292-I294 VanDerWaalsContact C-N 3.32Å; E292-I294 PolarHBondContact O-N 3.02Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.14Å; I294-N297 PolarHBondContact O-N 2.67Å; I294-S298 PolarHBondContact O-N 3.07Å; I294-V373 HydrophobicContact CD1-CG1 4.42Å; I294-V373 HydrophobicContact CD1-CG2 4.23Å; I294-V373 HydrophobicContact CG2-CB 4.24Å; I294-V373 HydrophobicContact CG2-CG1 4.35Å |
| 295 | K | 88.1 | Confident | 78.6 | Confident | 23 Ų | 23 | 65.4 Ų | 65.4 | 10% | 0.1 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 174.3 | -75.3 | 160.1 | 54.2 | -175.5 | 0 | 112.5 | L291 E292 R299 I375 | L291-K295 HydrophobicContact CG-CD 3.96Å; L291-K295 WeakPolarHBondContact O-CB 3.39Å; L291-K295 WeakPolarHBondContact O-CD 3.36Å; L291-K295 VanDerWaalsContact O-CG 3.28Å; L291-K295 WeakPolarHBondContact O-CG 3.4Å; L291-K295 PolarHBondContact O-N 3.1Å; E292-K295 PolarHBondContact O-N 3.43Å; E292-K295 IonicContact OE1-NZ 2.65Å; E292-K295 PolarHBondContact OE1-NZ 2.95Å; E292-K295 WeakPolarHBondContact OE2-CE 2.88Å; E292-K295 IonicContact OE2-NZ 2.97Å; E292-K295 PolarHBondContact OE2-NZ 3.21Å; K295-R299 WeakPolarHBondContact O-CB 3.12Å; K295-R299 VanDerWaalsContact O-CG 3.28Å; K295-R299 WeakPolarHBondContact O-CG 3.48Å; K295-R299 PolarHBondContact O-N 2.87Å; K295-I375 HydrophobicContact CD-CG2 4.31Å; K295-I375 HydrophobicContact CG-CD1 3.73Å; K295-I375 HydrophobicContact CG-CG1 4.4Å; K295-I375 HydrophobicContact CG-CG2 4.33Å |
| 296 | E | 82.6 | Confident | 76.5 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 33% | 0.327 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 176.6 | 179.2 | 59.1 | -169.3 | 0 | 0 | 112.3 | E292 R293 I294 R299 R300 | E292-E296 VanDerWaalsContact O-CB 3.28Å; E292-E296 WeakPolarHBondContact O-CB 3.49Å; E292-E296 PolarHBondContact O-N 3.18Å; R293-E296 PolarHBondContact O-N 3.01Å; I294-E296 VanDerWaalsContact C-N 3.31Å; I294-E296 PolarHBondContact O-N 3.14Å; E296-R299 PolarHBondContact O-N 3.25Å; E296-R300 VanDerWaalsContact O-CG 3.31Å; E296-R300 WeakPolarHBondContact O-CG 3.11Å; E296-R300 PolarHBondContact O-N 2.71Å; E296-R300 VanDerWaalsContact O-N 3.14Å; E296-R300 IonicContact OE1-CZ 3.34Å; E296-R300 IonicContact OE1-NE 2.83Å; E296-R300 PolarHBondContact OE1-NE 3.26Å; E296-R300 IonicContact OE1-NH2 3.01Å; E296-R300 PolarHBondContact OE1-NH2 3.31Å |
| 297 | N | 79.1 | Confident | 74.5 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 173.1 | -73.9 | -13.8 | 0 | 0 | 0 | 111.6 | R293 I294 R299 R300 S301 | R293-N297 VanDerWaalsContact O-CG 3.27Å; R293-N297 PolarHBondContact O-N 3.1Å; I294-N297 PolarHBondContact O-N 2.67Å; N297-R299 PolarHBondContact O-N 3.2Å; N297-R300 WeakPolarHBondContact O-CB 3.48Å; N297-R300 PolarHBondContact O-N 3.18Å; N297-R300 VanDerWaalsContact O-N 3.12Å; N297-S301 PolarHBondContact O-N 3Å; N297-S301 VanDerWaalsContact O-N 3.13Å; N297-S301 PolarHBondContact O-OG 3.43Å |
| 298 | S | 72.7 | Confident | 72.7 | Confident | 22 Ų | 22 | 81 Ų | 81 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | I294 R300 S301 T302 E370 | I294-S298 PolarHBondContact O-N 3.07Å; S298-R300 PolarHBondContact O-N 3.02Å; S298-S301 WeakPolarHBondContact O-CB 3.28Å; S298-S301 PolarHBondContact O-N 3.36Å; S298-T302 PolarHBondContact O-N 3.41Å; S298-T302 VanDerWaalsContact O-N 3.14Å; S298-E370 WeakPolarHBondContact CA-OE1 3.25Å; S298-E370 WeakPolarHBondContact CB-OE1 3.25Å; S298-E370 VanDerWaalsContact OG-CD 3.26Å; S298-E370 PolarHBondContact OG-OE1 2.75Å; S298-E370 PolarHBondContact OG-OE2 2.65Å |
| 299 | R | 70.7 | Confident | 71.2 | Confident | 109 Ų | 109 | 83.8 Ų | 83.8 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.7 | -32 | 175 | -78.1 | 169.8 | 173.1 | 166.4 | -0.9 | 113.7 | K295 E296 N297 T302 | K295-R299 WeakPolarHBondContact O-CB 3.12Å; K295-R299 VanDerWaalsContact O-CG 3.28Å; K295-R299 WeakPolarHBondContact O-CG 3.48Å; K295-R299 PolarHBondContact O-N 2.87Å; E296-R299 PolarHBondContact O-N 3.25Å; N297-R299 PolarHBondContact O-N 3.2Å; R299-T302 PolarHBondContact O-OG1 3.16Å |
| 300 | R | 67.6 | Low | 69.5 | Low | 172 Ų | 172 | 83.2 Ų | 83.2 | 65% | 0.649 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -78.7 | -29 | 177.8 | -71.3 | 168.2 | -176.9 | -122 | -6.3 | 113.2 | E296 N297 S298 T302 | E296-R300 VanDerWaalsContact O-CG 3.31Å; E296-R300 WeakPolarHBondContact O-CG 3.11Å; E296-R300 PolarHBondContact O-N 2.71Å; E296-R300 VanDerWaalsContact O-N 3.14Å; E296-R300 IonicContact OE1-CZ 3.34Å; E296-R300 IonicContact OE1-NE 2.83Å; E296-R300 PolarHBondContact OE1-NE 3.26Å; E296-R300 IonicContact OE1-NH2 3.01Å; E296-R300 PolarHBondContact OE1-NH2 3.31Å; N297-R300 WeakPolarHBondContact O-CB 3.48Å; N297-R300 PolarHBondContact O-N 3.18Å; N297-R300 VanDerWaalsContact O-N 3.12Å; S298-R300 PolarHBondContact O-N 3.02Å; R300-T302 CarbonylContact C-O 3.59Å |
| 301 | S | 59.8 | Low | 67.7 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.2 | -34.3 | 172.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | N297 S298 | N297-S301 PolarHBondContact O-N 3Å; N297-S301 VanDerWaalsContact O-N 3.13Å; N297-S301 PolarHBondContact O-OG 3.43Å; S298-S301 WeakPolarHBondContact O-CB 3.28Å; S298-S301 PolarHBondContact O-N 3.36Å |
| 302 | T | 55 | Low | 65.8 | Low | 64 Ų | 64 | 86.7 Ų | 86.7 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -70.1 | 136.5 | 161.6 | 73.6 | 0 | 0 | 0 | 0 | 109.7 | S298 R299 R300 Q304 | S298-T302 PolarHBondContact O-N 3.41Å; S298-T302 VanDerWaalsContact O-N 3.14Å; R299-T302 PolarHBondContact O-OG1 3.16Å; R300-T302 CarbonylContact C-O 3.59Å; T302-Q304 PolarHBondContact O-N 3.23Å |
| 303 | S | 51.2 | Low | 64.1 | Low | 66 Ų | 66 | 87.3 Ų | 87.3 | 46% | 0.462 | 43% | 0.427 | S | S | . | . | trans | -52.7 | 139.9 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | S305 Y306 G307 | S303-S305 CarbonylContact O-C 3.53Å; S303-S305 PolarHBondContact O-N 2.89Å; S303-S305 PolarHBondContact OG-OG 3.46Å; S303-Y306 WeakPolarHBondContact O-CA 3.04Å; S303-Y306 WeakPolarHBondContact O-CB 3.28Å; S303-Y306 PolarHBondContact O-N 2.91Å; S303-G307 PolarHBondContact O-N 3.25Å; S303-G307 VanDerWaalsContact O-N 3.13Å | ||
| 304 | Q | 52.8 | Low | 62.5 | Low | 143 Ų | 143 | 86 Ų | 86 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -53.7 | -28 | -173.4 | -66.7 | -170.4 | 11.1 | 0 | 0 | 114.1 | T302 R308 | T302-Q304 PolarHBondContact O-N 3.23Å; Q304-R308 WeakPolarHBondContact O-CB 3.4Å; Q304-R308 VanDerWaalsContact O-CG 3.31Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 3.18Å |
| 305 | S | 49.8 | Very low | 60.9 | Low | 70 Ų | 70 | 92.1 Ų | 92.1 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.5 | -51 | 171.1 | 42.2 | 0 | 0 | 0 | 0 | 112.2 | S303 R308 I309 | S303-S305 CarbonylContact O-C 3.53Å; S303-S305 PolarHBondContact O-N 2.89Å; S303-S305 PolarHBondContact OG-OG 3.46Å; S305-R308 PolarHBondContact O-N 3.33Å; S305-I309 WeakPolarHBondContact O-CB 3.38Å; S305-I309 WeakPolarHBondContact O-CD1 3.34Å; S305-I309 WeakPolarHBondContact O-CG1 3.36Å; S305-I309 PolarHBondContact O-N 2.8Å |
| 306 | Y | 52.8 | Low | 59.3 | Low | 161 Ų | 161 | 98.2 Ų | 98.2 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.6 | -45.2 | 174.2 | -107.7 | -87.1 | 0 | 0 | 0 | 111.9 | S303 R308 I309 S310 | S303-Y306 WeakPolarHBondContact O-CA 3.04Å; S303-Y306 WeakPolarHBondContact O-CB 3.28Å; S303-Y306 PolarHBondContact O-N 2.91Å; Y306-R308 PolarHBondContact O-N 3.35Å; Y306-I309 PolarHBondContact O-N 3.44Å; Y306-S310 WeakPolarHBondContact O-CB 3.25Å; Y306-S310 PolarHBondContact O-N 2.9Å; Y306-S310 PolarHBondContact O-OG 2.98Å; Y306-S310 VanDerWaalsContact O-OG 3.13Å |
| 307 | G | 54.5 | Low | 57.5 | Low | 23 Ų | 23 | 100.4 Ų | 100.4 | 24% | 0.237 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -57.3 | -47 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S303 A311 | S303-G307 PolarHBondContact O-N 3.25Å; S303-G307 VanDerWaalsContact O-N 3.13Å; G307-A311 WeakPolarHBondContact O-CB 3.27Å; G307-A311 PolarHBondContact O-N 2.79Å |
| 308 | R | 55.6 | Low | 55.9 | Low | 184 Ų | 184 | 96.7 Ų | 96.7 | 69% | 0.694 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.8 | -42.6 | 176.3 | -72.3 | 178.7 | -171.9 | -162.8 | 4.6 | 112.6 | Q304 S305 Y306 A311 Y312 | Q304-R308 WeakPolarHBondContact O-CB 3.4Å; Q304-R308 VanDerWaalsContact O-CG 3.31Å; Q304-R308 WeakPolarHBondContact O-CG 3.2Å; Q304-R308 PolarHBondContact O-N 3.18Å; S305-R308 PolarHBondContact O-N 3.33Å; Y306-R308 PolarHBondContact O-N 3.35Å; R308-A311 PolarHBondContact O-N 2.62Å; R308-Y312 VanDerWaalsContact O-CB 3.31Å; R308-Y312 WeakPolarHBondContact O-CB 3.39Å; R308-Y312 PolarHBondContact O-N 3.23Å |
| 309 | I | 58.6 | Low | 54.5 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 179.8 | -70.8 | 165.7 | 0 | 0 | 0 | 110.7 | S305 Y306 A311 Y312 F313 | S305-I309 WeakPolarHBondContact O-CB 3.38Å; S305-I309 WeakPolarHBondContact O-CD1 3.34Å; S305-I309 WeakPolarHBondContact O-CG1 3.36Å; S305-I309 PolarHBondContact O-N 2.8Å; Y306-I309 PolarHBondContact O-N 3.44Å; I309-A311 PolarHBondContact O-N 2.99Å; I309-Y312 PolarHBondContact O-N 3.41Å; I309-F313 HydrophobicContact CG2-CD2 3.72Å; I309-F313 HydrophobicContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact O-CD2 3.26Å; I309-F313 WeakPolarHBondContact O-CD2 3.35Å; I309-F313 PolarHBondContact O-N 3.46Å |
| 310 | S | 54.8 | Low | 53.2 | Low | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | Y306 R314 | Y306-S310 WeakPolarHBondContact O-CB 3.25Å; Y306-S310 PolarHBondContact O-N 2.9Å; Y306-S310 PolarHBondContact O-OG 2.98Å; Y306-S310 VanDerWaalsContact O-OG 3.13Å; S310-R314 WeakPolarHBondContact O-CB 3.47Å; S310-R314 PolarHBondContact O-N 2.98Å; S310-R314 VanDerWaalsContact O-N 3.09Å |
| 311 | A | 54.3 | Low | 52.2 | Low | 46 Ų | 46 | 101.4 Ų | 101.4 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G307 R308 I309 R314 N315 | G307-A311 WeakPolarHBondContact O-CB 3.27Å; G307-A311 PolarHBondContact O-N 2.79Å; R308-A311 PolarHBondContact O-N 2.62Å; I309-A311 PolarHBondContact O-N 2.99Å; A311-R314 PolarHBondContact O-N 3.35Å; A311-N315 VanDerWaalsContact O-CB 3.3Å; A311-N315 WeakPolarHBondContact O-CB 3.5Å; A311-N315 VanDerWaalsContact O-CG 3.22Å; A311-N315 PolarHBondContact O-N 3.38Å; A311-N315 PolarHBondContact O-OD1 3.43Å |
| 312 | Y | 53.6 | Low | 51.5 | Low | 107 Ų | 107 | 100.8 Ų | 100.8 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.1 | -177.2 | -99.3 | 0 | 0 | 0 | 112.4 | R308 I309 R316 | R308-Y312 VanDerWaalsContact O-CB 3.31Å; R308-Y312 WeakPolarHBondContact O-CB 3.39Å; R308-Y312 PolarHBondContact O-N 3.23Å; I309-Y312 PolarHBondContact O-N 3.41Å; Y312-R316 PolarHBondContact O-N 3.19Å; Y312-R316 PolarHBondContact OH-NE 3.03Å; Y312-R316 PolarHBondContact OH-NH1 3.22Å; Y312-R316 PolarHBondContact OH-NH2 3.11Å |
| 313 | F | 53.2 | Low | 50.9 | Low | 103 Ų | 103 | 105.4 Ų | 105.4 | 45% | 0.452 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 175 | -75.8 | -57.3 | 0 | 0 | 0 | 112.1 | I309 N315 R316 Y317 | I309-F313 HydrophobicContact CG2-CD2 3.72Å; I309-F313 HydrophobicContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact CG2-CE2 3.46Å; I309-F313 VanDerWaalsContact O-CD2 3.26Å; I309-F313 WeakPolarHBondContact O-CD2 3.35Å; I309-F313 PolarHBondContact O-N 3.46Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.39Å; F313-R316 PolarHBondContact O-N 3.08Å; F313-Y317 AromaticContact CD1-CD2 4Å; F313-Y317 HydrophobicContact CD1-CD2 4Å; F313-Y317 AromaticContact CD1-CE2 4Å; F313-Y317 HydrophobicContact CD1-CE2 4Å; F313-Y317 WeakPolarHBondContact O-CD2 3.47Å; F313-Y317 PolarHBondContact O-N 3.47Å |
| 314 | R | 57.7 | Low | 51.1 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -36.8 | 179.6 | -174 | 165.9 | 170.7 | 154.5 | -5.8 | 112.6 | S310 A311 G318 | S310-R314 WeakPolarHBondContact O-CB 3.47Å; S310-R314 PolarHBondContact O-N 2.98Å; S310-R314 VanDerWaalsContact O-N 3.09Å; A311-R314 PolarHBondContact O-N 3.35Å; R314-G318 PolarHBondContact O-N 2.96Å |
| 315 | N | 54.7 | Low | 51.5 | Low | 139 Ų | 139 | 102 Ų | 102 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -81.4 | -10.4 | 179.6 | -68.5 | 6.5 | 0 | 0 | 0 | 114.5 | A311 F313 | A311-N315 VanDerWaalsContact O-CB 3.3Å; A311-N315 WeakPolarHBondContact O-CB 3.5Å; A311-N315 VanDerWaalsContact O-CG 3.22Å; A311-N315 PolarHBondContact O-N 3.38Å; A311-N315 PolarHBondContact O-OD1 3.43Å; F313-N315 VanDerWaalsContact C-N 3.31Å; F313-N315 PolarHBondContact O-N 3.39Å |
| 316 | R | 53.9 | Low | 52.2 | Low | 151 Ų | 151 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -110.8 | -19.1 | 177.5 | -86 | -163.2 | 173.1 | -156.3 | 2 | 115.3 | Y312 F313 | Y312-R316 PolarHBondContact O-N 3.19Å; Y312-R316 PolarHBondContact OH-NE 3.03Å; Y312-R316 PolarHBondContact OH-NH1 3.22Å; Y312-R316 PolarHBondContact OH-NH2 3.11Å; F313-R316 PolarHBondContact O-N 3.08Å |
| 317 | Y | 44.8 | Very low | 53.5 | Low | 116 Ų | 116 | 94.5 Ų | 94.5 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -134.8 | 4.6 | -170.6 | -57 | -73.1 | 0 | 0 | 0 | 114.2 | F313 E319 | F313-Y317 AromaticContact CD1-CD2 4Å; F313-Y317 HydrophobicContact CD1-CD2 4Å; F313-Y317 AromaticContact CD1-CE2 4Å; F313-Y317 HydrophobicContact CD1-CE2 4Å; F313-Y317 WeakPolarHBondContact O-CD2 3.47Å; F313-Y317 PolarHBondContact O-N 3.47Å; Y317-E319 VanDerWaalsContact C-N 3.3Å; Y317-E319 PolarHBondContact O-N 2.83Å |
| 318 | G | 46.7 | Very low | 55.1 | Low | 16 Ų | 16 | 97 Ų | 97 | 17% | 0.165 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R314 T320 E321 A322 | R314-G318 PolarHBondContact O-N 2.96Å; G318-T320 PolarHBondContact O-N 3.36Å; G318-E321 PolarHBondContact O-N 3.5Å; G318-A322 VanDerWaalsContact O-CB 3.29Å; G318-A322 WeakPolarHBondContact O-CB 3.37Å; G318-A322 PolarHBondContact O-N 3.11Å |
| 319 | E | 43.7 | Very low | 56.9 | Low | 168 Ų | 168 | 88.2 Ų | 88.2 | 79% | 0.785 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.7 | -29.3 | -169.1 | -64.2 | -176.6 | 162.1 | 0 | 0 | 114.3 | Y317 | Y317-E319 VanDerWaalsContact C-N 3.3Å; Y317-E319 PolarHBondContact O-N 2.83Å |
| 320 | T | 42.3 | Very low | 58.6 | Low | 122 Ų | 122 | 85.3 Ų | 85.3 | 75% | 0.748 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -79 | -38.7 | 172.9 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | G318 A322 | G318-T320 PolarHBondContact O-N 3.36Å; T320-A322 VanDerWaalsContact C-N 3.29Å; T320-A322 PolarHBondContact O-N 2.63Å |
| 321 | E | 46.3 | Very low | 60.6 | Low | 111 Ų | 111 | 82 Ų | 82 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -33.3 | 169.5 | -74.6 | -165.1 | 146.8 | 0 | 0 | 112 | G318 K323 T324 K325 | G318-E321 PolarHBondContact O-N 3.5Å; E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 2.82Å; E321-T324 PolarHBondContact O-N 3.12Å; E321-T324 PolarHBondContact O-OG1 3.43Å; E321-T324 VanDerWaalsContact O-OG1 3.09Å; E321-K325 WeakPolarHBondContact O-CB 3.48Å; E321-K325 PolarHBondContact O-N 3.11Å |
| 322 | A | 45.7 | Very low | 62.6 | Low | 54 Ų | 54 | 79.8 Ų | 79.8 | 45% | 0.446 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.5 | -35.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G318 T320 A326 | G318-A322 VanDerWaalsContact O-CB 3.29Å; G318-A322 WeakPolarHBondContact O-CB 3.37Å; G318-A322 PolarHBondContact O-N 3.11Å; T320-A322 VanDerWaalsContact C-N 3.29Å; T320-A322 PolarHBondContact O-N 2.63Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 2.95Å |
| 323 | K | 43.2 | Very low | 64.6 | Low | 162 Ų | 162 | 74.8 Ų | 74.8 | 70% | 0.704 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 179.6 | -70.5 | -172.8 | 177.7 | -177.7 | 0 | 112.3 | E321 | E321-K323 VanDerWaalsContact C-N 3.27Å; E321-K323 PolarHBondContact O-N 2.82Å |
| 324 | T | 54.4 | Low | 66.6 | Low | 87 Ų | 87 | 77 Ų | 77 | 53% | 0.534 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.5 | -43.4 | 174.7 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | E321 A326 A327 Y328 | E321-T324 PolarHBondContact O-N 3.12Å; E321-T324 PolarHBondContact O-OG1 3.43Å; E321-T324 VanDerWaalsContact O-OG1 3.09Å; T324-A326 PolarHBondContact O-N 2.88Å; T324-A326 VanDerWaalsContact O-N 3.14Å; T324-A327 WeakPolarHBondContact O-CB 3.38Å; T324-A327 PolarHBondContact O-N 3.24Å; T324-Y328 WeakPolarHBondContact O-CD2 3.39Å |
| 325 | K | 62.2 | Low | 68.4 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 22% | 0.217 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -24.8 | -178.1 | -162.4 | 170.5 | -149.5 | 66.9 | 0 | 113.8 | E321 A327 Y328 E377 | E321-K325 WeakPolarHBondContact O-CB 3.48Å; E321-K325 PolarHBondContact O-N 3.11Å; K325-A327 PolarHBondContact O-N 3.27Å; K325-Y328 PolarHBondContact O-N 2.97Å; K325-Y328 VanDerWaalsContact O-N 3.12Å; K325-E377 WeakPolarHBondContact CE-OE1 3.28Å; K325-E377 WeakPolarHBondContact CE-OE2 3.39Å; K325-E377 IonicContact NZ-OE1 2.63Å; K325-E377 PolarHBondContact NZ-OE1 3.45Å; K325-E377 IonicContact NZ-OE2 2.74Å; K325-E377 PolarHBondContact NZ-OE2 3.46Å |
| 326 | A | 63.7 | Low | 70.3 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L268 R273 A322 T324 | L268-A326 PolarHBondContact N-O 3.11Å; L268-A326 VanDerWaalsContact N-O 3.09Å; R273-A326 PolarHBondContact NH2-O 3.22Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 2.95Å; T324-A326 PolarHBondContact O-N 2.88Å; T324-A326 VanDerWaalsContact O-N 3.14Å |
| 327 | A | 79.7 | Confident | 72.1 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -21 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T324 K325 | T324-A327 WeakPolarHBondContact O-CB 3.38Å; T324-A327 PolarHBondContact O-N 3.24Å; K325-A327 PolarHBondContact O-N 3.27Å |
| 328 | Y | 89 | Confident | 74.3 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | trans | -81.6 | 132.8 | -168.2 | -77.6 | -125.1 | 0 | 0 | 0 | 111.6 | R273 T324 K325 E377 A378 | R273-Y328 VanDerWaalsContact CZ-O 3.28Å; R273-Y328 PolarHBondContact NH1-O 2.76Å; R273-Y328 PolarHBondContact NH2-O 3.1Å; T324-Y328 WeakPolarHBondContact O-CD2 3.39Å; K325-Y328 PolarHBondContact O-N 2.97Å; K325-Y328 VanDerWaalsContact O-N 3.12Å; Y328-E377 HydrophobicContact CD1-CG 3.74Å; Y328-E377 HydrophobicContact CG-CG 4.32Å; Y328-A378 CarbonylContact C-O 3.03Å; Y328-A378 WeakPolarHBondContact CA-O 3.49Å | ||
| 329 | L | 92.9 | Very high | 76.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 145.7 | 167.8 | -163 | 71.1 | 0 | 0 | 0 | 109.3 | L268 Y276 Y277 L331 E377 A378 P380 A383 | L268-L329 HydrophobicContact CD2-CD1 4.38Å; Y276-L329 HydrophobicContact CG-CD2 4.37Å; Y277-L329 HydrophobicContact CD1-CD1 3.72Å; Y277-L329 HydrophobicContact CD1-CG 4.46Å; Y277-L329 HydrophobicContact CE1-CD1 3.43Å; Y277-L329 VanDerWaalsContact CE1-CD1 3.43Å; Y277-L329 HydrophobicContact CE1-CG 4.11Å; L329-L331 HydrophobicContact CD2-CD1 4.09Å; L329-L331 HydrophobicContact CD2-CD2 3.83Å; L329-L331 HydrophobicContact CD2-CG 4.02Å; L329-L331 HydrophobicContact CG-CD2 4.07Å; L329-L331 HydrophobicContact CG-CG 4.28Å; L329-E377 WeakPolarHBondContact O-CA 3.2Å; L329-A378 PolarHBondContact N-O 3Å; L329-A378 PolarHBondContact O-N 2.75Å; L329-P380 HydrophobicContact CB-CB 4.29Å; L329-P380 HydrophobicContact CB-CG 4.25Å; L329-P380 HydrophobicContact CD2-CB 4.14Å; L329-A383 HydrophobicContact CB-CB 4.06Å; L329-A383 HydrophobicContact CD2-CB 4.21Å |
| 330 | Q | 94.4 | Very high | 79 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.8 | 174.4 | -70.1 | 179.5 | 18.7 | 0 | 0 | 110.5 | L291 I376 E377 | L291-Q330 VanDerWaalsContact CD2-C 3.49Å; L291-Q330 HydrophobicContact CD2-CB 3.93Å; L291-Q330 VanDerWaalsContact CD2-O 3.31Å; L291-Q330 WeakPolarHBondContact CD2-O 3.48Å; Q330-I376 VanDerWaalsContact CA-O 3.29Å; Q330-I376 WeakPolarHBondContact CA-O 3.38Å; Q330-E377 HydrophobicContact CG-CB 4.09Å; Q330-E377 HydrophobicContact CG-CG 4.05Å; Q330-E377 PolarHBondContact NE2-OE1 2.93Å |
| 331 | L | 95.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 152.8 | -175.8 | -57.6 | -178.1 | 0 | 0 | 0 | 110.8 | A280 F285 I286 V287 L329 I375 I376 A383 M384 A387 | A280-L331 HydrophobicContact CB-CD2 3.54Å; F285-L331 HydrophobicContact CD2-CD1 4.45Å; I286-L331 CarbonylContact O-C 3.46Å; V287-L331 HydrophobicContact CG1-CD2 3.49Å; V287-L331 VanDerWaalsContact CG1-CD2 3.49Å; L329-L331 HydrophobicContact CD2-CD1 4.09Å; L329-L331 HydrophobicContact CD2-CD2 3.83Å; L329-L331 HydrophobicContact CD2-CG 4.02Å; L329-L331 HydrophobicContact CG-CD2 4.07Å; L329-L331 HydrophobicContact CG-CG 4.28Å; L331-I375 CarbonylContact O-C 3.6Å; L331-I375 WeakPolarHBondContact O-CA 3.31Å; L331-I376 PolarHBondContact N-O 3.03Å; L331-I376 PolarHBondContact O-N 3.22Å; L331-A383 HydrophobicContact CD1-CB 3.96Å; L331-A383 HydrophobicContact CG-CB 4.35Å; L331-M384 HydrophobicContact CD1-CG 4.42Å; L331-M384 HydrophobicContact CD1-SD 3.82Å; L331-A387 HydrophobicContact CD1-CB 3.89Å |
| 332 | G | 96.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I286 F374 | I286-G332 PolarHBondContact N-O 2.89Å; I286-G332 PolarHBondContact O-N 3.24Å; G332-F374 CarbonylContact C-O 3.59Å; G332-F374 VanDerWaalsContact CA-O 3.31Å; G332-F374 WeakPolarHBondContact CA-O 3.38Å |
| 333 | V | 97 | Very high | 86.1 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 112.7 | 175.4 | -178 | 0 | 0 | 0 | 0 | 109.7 | F285 V335 V373 F374 I376 A387 L390 A391 | F285-V333 HydrophobicContact CD1-CG2 4.16Å; F285-V333 HydrophobicContact CE1-CG2 4.36Å; V333-V335 HydrophobicContact CG1-CG2 4.42Å; V333-V373 CarbonylContact O-C 3.57Å; V333-V373 VanDerWaalsContact O-CA 3.28Å; V333-V373 WeakPolarHBondContact O-CA 3.22Å; V333-F374 PolarHBondContact N-O 2.83Å; V333-F374 PolarHBondContact O-N 3.3Å; V333-I376 HydrophobicContact CG2-CD1 3.78Å; V333-A387 HydrophobicContact CG2-CB 3.76Å; V333-L390 HydrophobicContact CB-CB 4.49Å; V333-L390 HydrophobicContact CG1-CB 4.15Å; V333-L390 HydrophobicContact CG2-CB 4.44Å; V333-A391 HydrophobicContact CG1-CB 4.04Å |
| 334 | R | 95.1 | Very high | 88.6 | Confident | 148 Ų | 148 | 44.6 Ų | 44.6 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.6 | 177 | -165.2 | 179.3 | -171.5 | 121.6 | 8.7 | 111.1 | I286 E371 V373 | I286-R334 HydrophobicContact CD1-CB 4.13Å; R334-E371 IonicContact CZ-OE1 3.61Å; R334-E371 IonicContact NE-OE1 3.74Å; R334-E371 IonicContact NH1-OE1 3.54Å; R334-E371 PolarHBondContact NH1-OE1 3.36Å; R334-E371 IonicContact NH2-OE1 2.79Å; R334-E371 PolarHBondContact NH2-OE1 3.18Å; R334-V373 HydrophobicContact CB-CG2 4.16Å; R334-V373 HydrophobicContact CG-CG2 4.1Å |
| 335 | V | 95.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | trans | -129.9 | 139.9 | -171.4 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | V333 S337 H340 V341 I344 H372 F374 A394 | V333-V335 HydrophobicContact CG1-CG2 4.42Å; V335-S337 PolarHBondContact O-N 3.35Å; V335-H340 HydrophobicContact CG1-CB 3.32Å; V335-V341 HydrophobicContact CB-CG2 4.27Å; V335-V341 HydrophobicContact CG1-CG2 3.9Å; V335-I344 HydrophobicContact CG1-CD1 4.21Å; V335-I344 HydrophobicContact CG2-CD1 4.14Å; V335-H372 PolarHBondContact N-O 3.15Å; V335-H372 WeakPolarHBondContact O-CB 3.33Å; V335-F374 HydrophobicContact CG2-CD2 3.84Å; V335-F374 HydrophobicContact CG2-CE2 3.93Å; V335-A394 HydrophobicContact CG1-CB 4.32Å; V335-A394 HydrophobicContact CG2-CB 4.15Å | ||
| 336 | P | 93 | Very high | 92.1 | Very high | 87 Ų | 87 | 40 Ų | 40 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -68 | -30.9 | -163.5 | -25.1 | 35.6 | 0 | 0 | 0 | 117.1 | ||
| 337 | S | 92.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | trans | -152.4 | 162.4 | 175.2 | 82.9 | 0 | 0 | 0 | 0 | 111.8 | V335 D339 H340 V341 H372 | V335-S337 PolarHBondContact O-N 3.35Å; S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.1Å; S337-D339 PolarHBondContact OG-N 2.96Å; S337-D339 PolarHBondContact OG-OD2 2.73Å; S337-H340 PolarHBondContact N-ND1 3.28Å; S337-H340 WeakPolarHBondContact O-CB 3.37Å; S337-H340 PolarHBondContact O-N 2.83Å; S337-H340 PolarHBondContact OG-CE1 2.96Å; S337-H340 PolarHBondContact OG-ND1 2.89Å; S337-V341 PolarHBondContact O-N 3.17Å; S337-H372 VanDerWaalsContact C-CD2 3.44Å; S337-H372 VanDerWaalsContact CA-CD2 3.5Å; S337-H372 WeakPolarHBondContact CA-CD2 3.35Å | ||
| 338 | K | 91.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 41% | 0.409 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -49.1 | -31.3 | 170.6 | -171.1 | -179.5 | 176 | -172.8 | 0 | 113.8 | V341 S342 E368 H372 | K338-V341 WeakPolarHBondContact O-CB 3.47Å; K338-V341 PolarHBondContact O-N 3.38Å; K338-S342 PolarHBondContact O-N 2.96Å; K338-E368 IonicContact NZ-OE1 2.77Å; K338-E368 PolarHBondContact NZ-OE1 2.8Å; K338-H372 PolarHBondContact N-CD2 2.99Å; K338-H372 VanDerWaalsContact N-CD2 3.3Å; K338-H372 PolarHBondContact N-NE2 2.79Å; K338-H372 VanDerWaalsContact N-NE2 3.15Å |
| 339 | D | 93.2 | Very high | 94.1 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.9 | -30.7 | 177.7 | -34.7 | -65.6 | 0 | 0 | 0 | 112.5 | S337 S342 E343 | S337-D339 PolarHBondContact O-N 3.46Å; S337-D339 VanDerWaalsContact O-N 3.1Å; S337-D339 PolarHBondContact OG-N 2.96Å; S337-D339 PolarHBondContact OG-OD2 2.73Å; D339-S342 WeakPolarHBondContact CA-OG 3.48Å; D339-S342 PolarHBondContact O-OG 2.88Å; D339-S342 VanDerWaalsContact O-OG 3.1Å; D339-E343 PolarHBondContact O-N 3.34Å; D339-E343 VanDerWaalsContact O-N 3.16Å |
| 340 | H | 94.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.065 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.9 | -39.9 | 173.6 | -58.1 | 81.3 | 0 | 0 | 0 | 109.5 | V335 S337 E343 I344 I397 T398 K401 | V335-H340 HydrophobicContact CG1-CB 3.32Å; S337-H340 PolarHBondContact N-ND1 3.28Å; S337-H340 WeakPolarHBondContact O-CB 3.37Å; S337-H340 PolarHBondContact O-N 2.83Å; S337-H340 PolarHBondContact OG-CE1 2.96Å; S337-H340 PolarHBondContact OG-ND1 2.89Å; H340-E343 PolarHBondContact O-N 2.91Å; H340-I344 WeakPolarHBondContact O-CB 3.44Å; H340-I344 WeakPolarHBondContact O-CD1 3.33Å; H340-I344 WeakPolarHBondContact O-CG1 3.39Å; H340-I344 PolarHBondContact O-N 2.8Å; H340-I397 HydrophobicContact CB-CG2 4.45Å; H340-I397 WeakPolarHBondContact CD2-CG2 3.24Å; H340-T398 PolarHBondContact NE2-OG1 3.13Å; H340-K401 PolarHBondContact CD2-NZ 2.9Å; H340-K401 PolarHBondContact CE1-NZ 3.13Å; H340-K401 PolarHBondContact ND1-NZ 2.75Å; H340-K401 PolarHBondContact NE2-NZ 3Å |
| 341 | V | 95.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | V335 S337 K338 E343 I344 V345 T365 P366 H372 F374 | V335-V341 HydrophobicContact CB-CG2 4.27Å; V335-V341 HydrophobicContact CG1-CG2 3.9Å; S337-V341 PolarHBondContact O-N 3.17Å; K338-V341 WeakPolarHBondContact O-CB 3.47Å; K338-V341 PolarHBondContact O-N 3.38Å; V341-E343 PolarHBondContact O-N 2.93Å; V341-I344 PolarHBondContact O-N 3.37Å; V341-V345 HydrophobicContact CG1-CG2 4.21Å; V341-V345 VanDerWaalsContact O-CB 3.3Å; V341-V345 WeakPolarHBondContact O-CB 3.43Å; V341-V345 WeakPolarHBondContact O-CG2 3.5Å; V341-V345 PolarHBondContact O-N 3.1Å; V341-T365 HydrophobicContact CG1-CG2 4.44Å; V341-P366 HydrophobicContact CG1-CG 3.87Å; V341-P366 HydrophobicContact CG2-CG 4.17Å; V341-H372 HydrophobicContact CG2-CB 3.93Å; V341-F374 HydrophobicContact CB-CE2 4.33Å; V341-F374 HydrophobicContact CB-CZ 4.29Å; V341-F374 HydrophobicContact CG1-CE2 4.17Å; V341-F374 HydrophobicContact CG1-CZ 3.76Å; V341-F374 HydrophobicContact CG2-CE2 4.08Å; V341-F374 HydrophobicContact CG2-CZ 4.5Å |
| 342 | S | 93.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -33.1 | -177 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | K338 D339 G346 | K338-S342 PolarHBondContact O-N 2.96Å; D339-S342 WeakPolarHBondContact CA-OG 3.48Å; D339-S342 PolarHBondContact O-OG 2.88Å; D339-S342 VanDerWaalsContact O-OG 3.1Å; S342-G346 PolarHBondContact O-N 3.17Å |
| 343 | E | 94.6 | Very high | 94 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -80.6 | -27.1 | 177.4 | -152.6 | -150.3 | 116.5 | 0 | 0 | 113.8 | D339 H340 V341 K351 R393 I397 | D339-E343 PolarHBondContact O-N 3.34Å; D339-E343 VanDerWaalsContact O-N 3.16Å; H340-E343 PolarHBondContact O-N 2.91Å; V341-E343 PolarHBondContact O-N 2.93Å; E343-K351 VanDerWaalsContact O-CD 3.29Å; E343-K351 WeakPolarHBondContact O-CD 3.37Å; E343-K351 PolarHBondContact O-NZ 3.07Å; E343-K351 IonicContact OE1-NZ 3.78Å; E343-R393 IonicContact OE1-CZ 3.8Å; E343-R393 IonicContact OE1-NE 2.68Å; E343-R393 IonicContact OE1-NH2 2.91Å; E343-R393 PolarHBondContact OE1-NH2 3.22Å; E343-I397 HydrophobicContact CB-CD1 3.94Å; E343-I397 HydrophobicContact CG-CD1 4.45Å; E343-I397 WeakPolarHBondContact OE1-CG1 3.15Å; E343-I397 WeakPolarHBondContact OE2-CG2 3.3Å |
| 344 | I | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 167.4 | -72.3 | 166 | 0 | 0 | 0 | 110.2 | V335 H340 V341 G346 K351 F374 L390 R393 A394 I397 | V335-I344 HydrophobicContact CG1-CD1 4.21Å; V335-I344 HydrophobicContact CG2-CD1 4.14Å; H340-I344 WeakPolarHBondContact O-CB 3.44Å; H340-I344 WeakPolarHBondContact O-CD1 3.33Å; H340-I344 WeakPolarHBondContact O-CG1 3.39Å; H340-I344 PolarHBondContact O-N 2.8Å; V341-I344 PolarHBondContact O-N 3.37Å; I344-G346 VanDerWaalsContact C-N 3.34Å; I344-K351 VanDerWaalsContact O-CB 3.25Å; I344-K351 WeakPolarHBondContact O-CB 3.43Å; I344-F374 HydrophobicContact CB-CE2 4.34Å; I344-F374 HydrophobicContact CB-CZ 3.97Å; I344-F374 HydrophobicContact CD1-CE2 4.05Å; I344-F374 HydrophobicContact CG2-CE1 4.06Å; I344-F374 HydrophobicContact CG2-CE2 3.97Å; I344-F374 HydrophobicContact CG2-CZ 3.52Å; I344-L390 HydrophobicContact CG2-CD2 3.71Å; I344-R393 HydrophobicContact CG1-CB 4.34Å; I344-R393 HydrophobicContact CG1-CG 3.89Å; I344-A394 HydrophobicContact CD1-CB 4.08Å; I344-I397 HydrophobicContact CD1-CD1 4.4Å; I344-I397 HydrophobicContact CG1-CD1 3.75Å |
| 345 | V | 95.5 | Very high | 93.8 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 177.3 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | V341 G349 K351 I352 T365 F374 | V341-V345 HydrophobicContact CG1-CG2 4.21Å; V341-V345 VanDerWaalsContact O-CB 3.3Å; V341-V345 WeakPolarHBondContact O-CB 3.43Å; V341-V345 WeakPolarHBondContact O-CG2 3.5Å; V341-V345 PolarHBondContact O-N 3.1Å; V345-G349 CarbonylContact O-C 3.52Å; V345-G349 VanDerWaalsContact O-CA 3.28Å; V345-G349 WeakPolarHBondContact O-CA 3.24Å; V345-K351 PolarHBondContact O-N 3.42Å; V345-I352 HydrophobicContact CB-CG2 4.2Å; V345-I352 HydrophobicContact CG1-CG2 3.94Å; V345-I352 HydrophobicContact CG2-CG2 4.21Å; V345-I352 PolarHBondContact O-N 3.1Å; V345-T365 HydrophobicContact CG2-CG2 3.4Å; V345-T365 VanDerWaalsContact CG2-CG2 3.4Å; V345-F374 HydrophobicContact CG2-CE1 3.86Å; V345-F374 HydrophobicContact CG2-CZ 3.94Å |
| 346 | G | 93.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 64.9 Ų | 64.9 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | trans | 77.1 | 167.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S342 I344 G348 G349 | S342-G346 PolarHBondContact O-N 3.17Å; I344-G346 VanDerWaalsContact C-N 3.34Å; G346-G348 PolarHBondContact O-N 2.92Å; G346-G349 PolarHBondContact O-N 2.88Å | ||
| 347 | K | 92.7 | Very high | 93.7 | Very high | 197 Ų | 197 | 66.6 Ų | 66.6 | 86% | 0.857 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -57.8 | 130 | 176.2 | -65.2 | 179.5 | -178.5 | 175.8 | 0 | 109.3 | G349 Q350 | K347-G349 PolarHBondContact O-N 3.37Å; K347-Q350 WeakPolarHBondContact O-CB 3.48Å; K347-Q350 PolarHBondContact O-N 3.18Å |
| 348 | G | 89.6 | Confident | 93.5 | Very high | 96 Ų | 96 | 72.1 Ų | 72.1 | 99% | 0.99 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | 63 | 8.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | G346 | G346-G348 PolarHBondContact O-N 2.92Š|
| 349 | G | 92.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 19% | 0.186 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | 80.2 | 11.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V345 G346 K347 K351 I352 K353 | V345-G349 CarbonylContact O-C 3.52Å; V345-G349 VanDerWaalsContact O-CA 3.28Å; V345-G349 WeakPolarHBondContact O-CA 3.24Å; G346-G349 PolarHBondContact O-N 2.88Å; K347-G349 PolarHBondContact O-N 3.37Å; G349-K351 PolarHBondContact O-N 3.08Å; G349-I352 WeakPolarHBondContact O-CG2 3.23Å; G349-I352 PolarHBondContact O-N 3.31Å; G349-K353 VanDerWaalsContact O-CB 3.27Å; G349-K353 WeakPolarHBondContact O-CB 3.27Å; G349-K353 PolarHBondContact O-N 3.35Å |
| 350 | Q | 93.6 | Very high | 93.2 | Very high | 149 Ų | 149 | 67.6 Ų | 67.6 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.1 | -41.5 | -172.4 | -172.1 | 178.9 | 5.7 | 0 | 0 | 113.6 | K347 K353 L354 | K347-Q350 WeakPolarHBondContact O-CB 3.48Å; K347-Q350 PolarHBondContact O-N 3.18Å; Q350-K353 PolarHBondContact O-N 2.64Å; Q350-L354 PolarHBondContact O-N 3.34Å |
| 351 | K | 95.2 | Very high | 93.1 | Very high | 86 Ų | 86 | 67 Ų | 67 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -49 | -179.7 | -72.1 | -175.8 | -178.9 | -178.9 | 0 | 111.5 | E343 I344 V345 G349 K353 L354 I355 | E343-K351 VanDerWaalsContact O-CD 3.29Å; E343-K351 WeakPolarHBondContact O-CD 3.37Å; E343-K351 PolarHBondContact O-NZ 3.07Å; E343-K351 IonicContact OE1-NZ 3.78Å; I344-K351 VanDerWaalsContact O-CB 3.25Å; I344-K351 WeakPolarHBondContact O-CB 3.43Å; V345-K351 PolarHBondContact O-N 3.42Å; G349-K351 PolarHBondContact O-N 3.08Å; K351-K353 VanDerWaalsContact C-N 3.28Å; K351-K353 PolarHBondContact O-N 3.31Å; K351-L354 PolarHBondContact O-N 2.79Å; K351-I355 WeakPolarHBondContact O-CG1 3.3Å; K351-I355 PolarHBondContact O-N 3.07Å |
| 352 | I | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.2 | -26.3 | 179.2 | -167.9 | 62.4 | 0 | 0 | 0 | 112.2 | V345 G349 I355 R356 I363 L390 | V345-I352 HydrophobicContact CB-CG2 4.2Å; V345-I352 HydrophobicContact CG1-CG2 3.94Å; V345-I352 HydrophobicContact CG2-CG2 4.21Å; V345-I352 PolarHBondContact O-N 3.1Å; G349-I352 WeakPolarHBondContact O-CG2 3.23Å; G349-I352 PolarHBondContact O-N 3.31Å; I352-I355 HydrophobicContact CD1-CD1 4.47Å; I352-R356 VanDerWaalsContact O-CG 3.23Å; I352-R356 WeakPolarHBondContact O-CG 3.42Å; I352-R356 PolarHBondContact O-N 2.94Å; I352-R356 VanDerWaalsContact O-N 3.11Å; I352-I363 HydrophobicContact CD1-CB 4.21Å; I352-I363 HydrophobicContact CD1-CD1 3.68Å; I352-I363 HydrophobicContact CD1-CG2 4.01Å; I352-L390 HydrophobicContact CD1-CD2 4.32Å |
| 353 | K | 93.3 | Very high | 93 | Very high | 109 Ų | 109 | 67.8 Ų | 67.8 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 169.2 | -179 | 177.7 | 177.3 | -65 | 0 | 110.7 | G349 Q350 K351 I355 R356 E357 | G349-K353 VanDerWaalsContact O-CB 3.27Å; G349-K353 WeakPolarHBondContact O-CB 3.27Å; G349-K353 PolarHBondContact O-N 3.35Å; Q350-K353 PolarHBondContact O-N 2.64Å; K351-K353 VanDerWaalsContact C-N 3.28Å; K351-K353 PolarHBondContact O-N 3.31Å; K353-I355 PolarHBondContact O-N 3.41Å; K353-R356 PolarHBondContact O-N 2.92Å; K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 VanDerWaalsContact CG-OE1 3.28Å; K353-E357 WeakPolarHBondContact CG-OE1 3.46Å; K353-E357 IonicContact NZ-OE1 3.48Å; K353-E357 PolarHBondContact NZ-OE1 2.74Å; K353-E357 IonicContact NZ-OE2 3.7Å; K353-E357 PolarHBondContact NZ-OE2 2.63Å; K353-E357 WeakPolarHBondContact O-CB 3.43Å; K353-E357 WeakPolarHBondContact O-CG 3.36Å; K353-E357 PolarHBondContact O-N 3.47Å |
| 354 | L | 94.4 | Very high | 93 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 176 | -175.2 | 150 | 0 | 0 | 0 | 111.9 | Q350 K351 R356 E357 E358 | Q350-L354 PolarHBondContact O-N 3.34Å; K351-L354 PolarHBondContact O-N 2.79Å; L354-R356 VanDerWaalsContact C-N 3.32Å; L354-R356 PolarHBondContact O-N 3.46Å; L354-E357 PolarHBondContact O-N 2.83Å; L354-E357 VanDerWaalsContact O-N 3.08Å; L354-E358 WeakPolarHBondContact CD2-OE2 3.3Å; L354-E358 WeakPolarHBondContact O-CB 3.46Å; L354-E358 PolarHBondContact O-N 3.17Å |
| 355 | I | 94 | Very high | 92.9 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 9% | 0.087 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.8 | -62.6 | 164.8 | 0 | 0 | 0 | 111.5 | K351 I352 K353 E357 T359 I363 L390 | K351-I355 WeakPolarHBondContact O-CG1 3.3Å; K351-I355 PolarHBondContact O-N 3.07Å; I352-I355 HydrophobicContact CD1-CD1 4.47Å; K353-I355 PolarHBondContact O-N 3.41Å; I355-E357 VanDerWaalsContact C-N 3.34Å; I355-T359 WeakPolarHBondContact O-CB 3.42Å; I355-T359 WeakPolarHBondContact O-CG2 3.45Å; I355-T359 PolarHBondContact O-N 3.06Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 3.25Å; I355-I363 HydrophobicContact CB-CD1 4.46Å; I355-I363 HydrophobicContact CG2-CD1 3.69Å; I355-L390 HydrophobicContact CD1-CD2 4.16Å |
| 356 | R | 93.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 69 Ų | 69 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 175 | -71.7 | 172.9 | -174.6 | 127.4 | 1.8 | 112.3 | I352 K353 L354 G360 A361 I363 T365 | I352-R356 VanDerWaalsContact O-CG 3.23Å; I352-R356 WeakPolarHBondContact O-CG 3.42Å; I352-R356 PolarHBondContact O-N 2.94Å; I352-R356 VanDerWaalsContact O-N 3.11Å; K353-R356 PolarHBondContact O-N 2.92Å; L354-R356 VanDerWaalsContact C-N 3.32Å; L354-R356 PolarHBondContact O-N 3.46Å; R356-G360 VanDerWaalsContact O-CA 3.27Å; R356-G360 WeakPolarHBondContact O-CA 3.48Å; R356-G360 PolarHBondContact O-N 2.79Å; R356-A361 WeakPolarHBondContact CG-O 3.36Å; R356-I363 HydrophobicContact CG-CB 4.23Å; R356-I363 HydrophobicContact CG-CD1 4.17Å; R356-I363 HydrophobicContact CG-CG1 4.22Å; R356-I363 VanDerWaalsContact CZ-O 3.23Å; R356-I363 PolarHBondContact NE-O 3.49Å; R356-I363 PolarHBondContact NH2-O 3.43Å; R356-T365 PolarHBondContact NH2-OG1 3.46Å |
| 357 | E | 91.7 | Very high | 92.4 | Very high | 123 Ų | 123 | 69.9 Ų | 69.9 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -76.4 | -40.3 | -177.6 | -74.9 | 165.1 | 177.1 | 0 | 0 | 112 | K353 L354 I355 | K353-E357 WeakPolarHBondContact CE-OE1 3.19Å; K353-E357 VanDerWaalsContact CG-OE1 3.28Å; K353-E357 WeakPolarHBondContact CG-OE1 3.46Å; K353-E357 IonicContact NZ-OE1 3.48Å; K353-E357 PolarHBondContact NZ-OE1 2.74Å; K353-E357 IonicContact NZ-OE2 3.7Å; K353-E357 PolarHBondContact NZ-OE2 2.63Å; K353-E357 WeakPolarHBondContact O-CB 3.43Å; K353-E357 WeakPolarHBondContact O-CG 3.36Å; K353-E357 PolarHBondContact O-N 3.47Å; L354-E357 PolarHBondContact O-N 2.83Å; L354-E357 VanDerWaalsContact O-N 3.08Å; I355-E357 VanDerWaalsContact C-N 3.34Å |
| 358 | E | 89.9 | Confident | 91.9 | Very high | 143 Ų | 143 | 67.5 Ų | 67.5 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 175.9 | -174.6 | -171.8 | 162.5 | 0 | 0 | 112.7 | L354 | L354-E358 WeakPolarHBondContact CD2-OE2 3.3Å; L354-E358 WeakPolarHBondContact O-CB 3.46Å; L354-E358 PolarHBondContact O-N 3.17Å |
| 359 | T | 90.7 | Very high | 91.5 | Very high | 32 Ų | 32 | 71.2 Ų | 71.2 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -105.7 | -9.3 | -172.5 | 66.8 | 0 | 0 | 0 | 0 | 114.7 | I355 A361 I382 V386 | I355-T359 WeakPolarHBondContact O-CB 3.42Å; I355-T359 WeakPolarHBondContact O-CG2 3.45Å; I355-T359 PolarHBondContact O-N 3.06Å; I355-T359 VanDerWaalsContact O-N 3.11Å; I355-T359 PolarHBondContact O-OG1 3.25Å; T359-A361 PolarHBondContact O-N 3.46Å; T359-A361 VanDerWaalsContact O-N 3.1Å; T359-A361 WeakPolarHBondContact OG1-CB 3.41Å; T359-A361 PolarHBondContact OG1-N 3.09Å; T359-I382 VanDerWaalsContact O-CG2 3.3Å; T359-I382 WeakPolarHBondContact O-CG2 3.49Å; T359-V386 HydrophobicContact CG2-CG2 3.85Å |
| 360 | G | 88.4 | Confident | 91.2 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 62% | 0.619 | 37% | 0.372 | S | S | * | . | trans | 65 | 4.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.8 | R356 | R356-G360 VanDerWaalsContact O-CA 3.27Å; R356-G360 WeakPolarHBondContact O-CA 3.48Å; R356-G360 PolarHBondContact O-N 2.79Å | ||
| 361 | A | 91.8 | Very high | 91 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | trans | -77.9 | 133.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R356 T359 I363 I376 A378 I382 V386 | R356-A361 WeakPolarHBondContact CG-O 3.36Å; T359-A361 PolarHBondContact O-N 3.46Å; T359-A361 VanDerWaalsContact O-N 3.1Å; T359-A361 WeakPolarHBondContact OG1-CB 3.41Å; T359-A361 PolarHBondContact OG1-N 3.09Å; A361-I363 HydrophobicContact CB-CG1 4.05Å; A361-I363 PolarHBondContact O-N 3.44Å; A361-I376 HydrophobicContact CB-CG2 4.39Å; A361-A378 HydrophobicContact CB-CB 3.8Å; A361-I382 HydrophobicContact CB-CG2 4.24Å; A361-V386 HydrophobicContact CB-CG2 3.95Å | ||
| 362 | L | 92.8 | Very high | 91 | Very high | 97 Ų | 97 | 67.2 Ų | 67.2 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 88.5 | 171.1 | 178.2 | 61.4 | 0 | 0 | 0 | 109.8 | E377 | L362-E377 HydrophobicContact CB-CB 4.19Å; L362-E377 WeakPolarHBondContact CB-O 3.27Å; L362-E377 HydrophobicContact CD2-CB 4.47Å; L362-E377 PolarHBondContact N-O 2.91Å; L362-E377 PolarHBondContact O-N 3.44Å |
| 363 | I | 94.9 | Very high | 91 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.9 | 176.9 | -45.4 | 167.7 | 0 | 0 | 0 | 109.9 | I352 I355 R356 A361 F374 I375 I376 V386 L390 | I352-I363 HydrophobicContact CD1-CB 4.21Å; I352-I363 HydrophobicContact CD1-CD1 3.68Å; I352-I363 HydrophobicContact CD1-CG2 4.01Å; I355-I363 HydrophobicContact CB-CD1 4.46Å; I355-I363 HydrophobicContact CG2-CD1 3.69Å; R356-I363 HydrophobicContact CG-CB 4.23Å; R356-I363 HydrophobicContact CG-CD1 4.17Å; R356-I363 HydrophobicContact CG-CG1 4.22Å; R356-I363 VanDerWaalsContact CZ-O 3.23Å; R356-I363 PolarHBondContact NE-O 3.49Å; R356-I363 PolarHBondContact NH2-O 3.43Å; A361-I363 HydrophobicContact CB-CG1 4.05Å; A361-I363 PolarHBondContact O-N 3.44Å; I363-F374 HydrophobicContact CG2-CB 4.24Å; I363-F374 HydrophobicContact CG2-CD1 4.11Å; I363-I375 CarbonylContact C-O 3.1Å; I363-I375 WeakPolarHBondContact CA-O 3.26Å; I363-I376 HydrophobicContact CG1-CG1 4.44Å; I363-I376 HydrophobicContact CG2-CG1 4.22Å; I363-V386 HydrophobicContact CD1-CG1 3.5Å; I363-V386 VanDerWaalsContact CD1-CG1 3.5Å; I363-V386 HydrophobicContact CG1-CG1 3.96Å; I363-L390 HydrophobicContact CG2-CD1 4.14Å |
| 364 | T | 94.4 | Very high | 91.2 | Very high | 62 Ų | 62 | 62 Ų | 62 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127 | 168.9 | -50.8 | 0 | 0 | 0 | 0 | 109.6 | I375 | T364-I375 PolarHBondContact N-O 3.3Å; T364-I375 PolarHBondContact O-N 3.3Å |
| 365 | T | 94.1 | Very high | 91.2 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -88 | 131.5 | 174.8 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | V341 V345 R356 F374 | V341-T365 HydrophobicContact CG1-CG2 4.44Å; V345-T365 HydrophobicContact CG2-CG2 3.4Å; V345-T365 VanDerWaalsContact CG2-CG2 3.4Å; R356-T365 PolarHBondContact NH2-OG1 3.46Å; T365-F374 HydrophobicContact CG2-CE1 4.08Å |
| 366 | P | 91.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 139.6 | 178 | 27.1 | -33.5 | 0 | 0 | 0 | 111.7 | V341 E370 E371 | V341-P366 HydrophobicContact CG1-CG 3.87Å; V341-P366 HydrophobicContact CG2-CG 4.17Å; P366-E370 WeakPolarHBondContact CA-OE2 3.1Å; P366-E370 HydrophobicContact CB-CB 4.33Å; P366-E371 WeakPolarHBondContact CB-O 3.41Å |
| 367 | G | 86.9 | Confident | 91.4 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 170.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q369 E370 | G367-Q369 PolarHBondContact O-N 3.18Å; G367-E370 PolarHBondContact N-OE2 2.85Å; G367-E370 PolarHBondContact O-N 3.27Å; G367-E370 VanDerWaalsContact O-N 3.09Å |
| 368 | E | 82.4 | Confident | 91.4 | Very high | 147 Ų | 147 | 48.3 Ų | 48.3 | 69% | 0.687 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.6 | -176.2 | 172 | 156.7 | -122.5 | 0 | 0 | 114.6 | K338 | K338-E368 IonicContact NZ-OE1 2.77Å; K338-E368 PolarHBondContact NZ-OE1 2.8Å |
| 369 | Q | 81 | Confident | 91.5 | Very high | 175 Ų | 175 | 43.4 Ų | 43.4 | 82% | 0.818 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 10.8 | 179.2 | -60.4 | 179.8 | 0.6 | 0 | 0 | 112.4 | G367 | G367-Q369 PolarHBondContact O-N 3.18Š|
| 370 | E | 85.3 | Confident | 91.5 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -102.5 | 160.1 | -177.4 | -59.2 | -176.5 | 163.1 | 0 | 0 | 111.6 | S298 P366 G367 H372 | S298-E370 WeakPolarHBondContact CA-OE1 3.25Å; S298-E370 WeakPolarHBondContact CB-OE1 3.25Å; S298-E370 VanDerWaalsContact OG-CD 3.26Å; S298-E370 PolarHBondContact OG-OE1 2.75Å; S298-E370 PolarHBondContact OG-OE2 2.65Å; P366-E370 WeakPolarHBondContact CA-OE2 3.1Å; P366-E370 HydrophobicContact CB-CB 4.33Å; G367-E370 PolarHBondContact N-OE2 2.85Å; G367-E370 PolarHBondContact O-N 3.27Å; G367-E370 VanDerWaalsContact O-N 3.09Å; E370-H372 PolarHBondContact O-ND1 2.93Å |
| 371 | E | 90.2 | Very high | 91.7 | Very high | 72 Ų | 72 | 44.1 Ų | 44.1 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | trans | -61 | 143.1 | 171.3 | -167.4 | 170.6 | -164 | 0 | 0 | 110 | R334 P366 V373 | R334-E371 IonicContact CZ-OE1 3.61Å; R334-E371 IonicContact NE-OE1 3.74Å; R334-E371 IonicContact NH1-OE1 3.54Å; R334-E371 PolarHBondContact NH1-OE1 3.36Å; R334-E371 IonicContact NH2-OE1 2.79Å; R334-E371 PolarHBondContact NH2-OE1 3.18Å; P366-E371 WeakPolarHBondContact CB-O 3.41Å; E371-V373 HydrophobicContact CG-CG2 4.08Å; E371-V373 PolarHBondContact O-N 3.22Å | ||
| 372 | H | 94.2 | Very high | 91.8 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -76.1 | 64.7 | -172.9 | -55.4 | -20.1 | 0 | 0 | 0 | 112 | V335 S337 K338 V341 E370 | V335-H372 PolarHBondContact N-O 3.15Å; V335-H372 WeakPolarHBondContact O-CB 3.33Å; S337-H372 VanDerWaalsContact C-CD2 3.44Å; S337-H372 VanDerWaalsContact CA-CD2 3.5Å; S337-H372 WeakPolarHBondContact CA-CD2 3.35Å; K338-H372 PolarHBondContact N-CD2 2.99Å; K338-H372 VanDerWaalsContact N-CD2 3.3Å; K338-H372 PolarHBondContact N-NE2 2.79Å; K338-H372 VanDerWaalsContact N-NE2 3.15Å; V341-H372 HydrophobicContact CG2-CB 3.93Å; E370-H372 PolarHBondContact O-ND1 2.93Å |
| 373 | V | 95.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.6 | -176.1 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | I286 I294 V333 R334 E371 I375 | I286-V373 HydrophobicContact CD1-CG1 4.21Å; I286-V373 HydrophobicContact CD1-CG2 3.89Å; I294-V373 HydrophobicContact CD1-CG1 4.42Å; I294-V373 HydrophobicContact CD1-CG2 4.23Å; I294-V373 HydrophobicContact CG2-CB 4.24Å; I294-V373 HydrophobicContact CG2-CG1 4.35Å; V333-V373 CarbonylContact O-C 3.57Å; V333-V373 VanDerWaalsContact O-CA 3.28Å; V333-V373 WeakPolarHBondContact O-CA 3.22Å; R334-V373 HydrophobicContact CB-CG2 4.16Å; R334-V373 HydrophobicContact CG-CG2 4.1Å; E371-V373 HydrophobicContact CG-CG2 4.08Å; E371-V373 PolarHBondContact O-N 3.22Å; V373-I375 HydrophobicContact CG1-CG1 4.48Å |
| 374 | F | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.1 | 168.5 | -69.9 | -93.7 | 0 | 0 | 0 | 109.1 | G332 V333 V335 V341 I344 V345 I363 T365 L390 | G332-F374 CarbonylContact C-O 3.59Å; G332-F374 VanDerWaalsContact CA-O 3.31Å; G332-F374 WeakPolarHBondContact CA-O 3.38Å; V333-F374 PolarHBondContact N-O 2.83Å; V333-F374 PolarHBondContact O-N 3.3Å; V335-F374 HydrophobicContact CG2-CD2 3.84Å; V335-F374 HydrophobicContact CG2-CE2 3.93Å; V341-F374 HydrophobicContact CB-CE2 4.33Å; V341-F374 HydrophobicContact CB-CZ 4.29Å; V341-F374 HydrophobicContact CG1-CE2 4.17Å; V341-F374 HydrophobicContact CG1-CZ 3.76Å; V341-F374 HydrophobicContact CG2-CE2 4.08Å; V341-F374 HydrophobicContact CG2-CZ 4.5Å; I344-F374 HydrophobicContact CB-CE2 4.34Å; I344-F374 HydrophobicContact CB-CZ 3.97Å; I344-F374 HydrophobicContact CD1-CE2 4.05Å; I344-F374 HydrophobicContact CG2-CE1 4.06Å; I344-F374 HydrophobicContact CG2-CE2 3.97Å; I344-F374 HydrophobicContact CG2-CZ 3.52Å; V345-F374 HydrophobicContact CG2-CE1 3.86Å; V345-F374 HydrophobicContact CG2-CZ 3.94Å; I363-F374 HydrophobicContact CG2-CB 4.24Å; I363-F374 HydrophobicContact CG2-CD1 4.11Å; T365-F374 HydrophobicContact CG2-CE1 4.08Å; F374-L390 HydrophobicContact CB-CD1 3.81Å; F374-L390 HydrophobicContact CD1-CD1 4.38Å; F374-L390 HydrophobicContact CG-CD1 4.04Å |
| 375 | I | 96.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 49 Ų | 49 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 119.6 | 178.1 | -57.9 | 151.4 | 0 | 0 | 0 | 108.1 | L291 K295 L331 I363 T364 V373 | L291-I375 HydrophobicContact CD1-CG1 4.13Å; L291-I375 HydrophobicContact CD1-CG2 4.27Å; K295-I375 HydrophobicContact CD-CG2 4.31Å; K295-I375 HydrophobicContact CG-CD1 3.73Å; K295-I375 HydrophobicContact CG-CG1 4.4Å; K295-I375 HydrophobicContact CG-CG2 4.33Å; L331-I375 CarbonylContact O-C 3.6Å; L331-I375 WeakPolarHBondContact O-CA 3.31Å; I363-I375 CarbonylContact C-O 3.1Å; I363-I375 WeakPolarHBondContact CA-O 3.26Å; T364-I375 PolarHBondContact N-O 3.3Å; T364-I375 PolarHBondContact O-N 3.3Å; V373-I375 HydrophobicContact CG1-CG1 4.48Å |
| 376 | I | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.4 | -177.8 | -56 | 157.1 | 0 | 0 | 0 | 108.6 | Q330 L331 V333 A361 I363 A378 A383 V386 A387 L390 | Q330-I376 VanDerWaalsContact CA-O 3.29Å; Q330-I376 WeakPolarHBondContact CA-O 3.38Å; L331-I376 PolarHBondContact N-O 3.03Å; L331-I376 PolarHBondContact O-N 3.22Å; V333-I376 HydrophobicContact CG2-CD1 3.78Å; A361-I376 HydrophobicContact CB-CG2 4.39Å; I363-I376 HydrophobicContact CG1-CG1 4.44Å; I363-I376 HydrophobicContact CG2-CG1 4.22Å; I376-A378 HydrophobicContact CG2-CB 4.36Å; I376-A383 HydrophobicContact CG2-CB 4.36Å; I376-V386 HydrophobicContact CD1-CB 4.28Å; I376-V386 HydrophobicContact CD1-CG1 3.76Å; I376-V386 HydrophobicContact CG1-CG1 3.96Å; I376-V386 HydrophobicContact CG2-CB 4.32Å; I376-V386 HydrophobicContact CG2-CG1 4.1Å; I376-A387 VanDerWaalsContact CD1-CA 3.48Å; I376-A387 HydrophobicContact CD1-CB 3.67Å; I376-L390 HydrophobicContact CD1-CD1 4.18Å; I376-L390 HydrophobicContact CG1-CD1 4.33Å |
| 377 | E | 94.2 | Very high | 92.3 | Very high | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 109.2 | 168.8 | 176.4 | 159.2 | -137.7 | 0 | 0 | 109 | K325 Y328 L329 Q330 L362 | K325-E377 WeakPolarHBondContact CE-OE1 3.28Å; K325-E377 WeakPolarHBondContact CE-OE2 3.39Å; K325-E377 IonicContact NZ-OE1 2.63Å; K325-E377 PolarHBondContact NZ-OE1 3.45Å; K325-E377 IonicContact NZ-OE2 2.74Å; K325-E377 PolarHBondContact NZ-OE2 3.46Å; Y328-E377 HydrophobicContact CD1-CG 3.74Å; Y328-E377 HydrophobicContact CG-CG 4.32Å; L329-E377 WeakPolarHBondContact O-CA 3.2Å; Q330-E377 HydrophobicContact CG-CB 4.09Å; Q330-E377 HydrophobicContact CG-CG 4.05Å; Q330-E377 PolarHBondContact NE2-OE1 2.93Å; L362-E377 HydrophobicContact CB-CB 4.19Å; L362-E377 WeakPolarHBondContact CB-O 3.27Å; L362-E377 HydrophobicContact CD2-CB 4.47Å; L362-E377 PolarHBondContact N-O 2.91Å; L362-E377 PolarHBondContact O-N 3.44Å |
| 378 | A | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 168.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y328 L329 A361 I376 I382 A383 | Y328-A378 CarbonylContact C-O 3.03Å; Y328-A378 WeakPolarHBondContact CA-O 3.49Å; L329-A378 PolarHBondContact N-O 3Å; L329-A378 PolarHBondContact O-N 2.75Å; A361-A378 HydrophobicContact CB-CB 3.8Å; I376-A378 HydrophobicContact CG2-CB 4.36Å; A378-I382 HydrophobicContact CB-CB 4.08Å; A378-I382 HydrophobicContact CB-CG2 3.83Å; A378-A383 HydrophobicContact CB-CB 4.07Å |
| 379 | P | 91.2 | Very high | 93.4 | Very high | 40 Ų | 40 | 48 Ų | 48 | 26% | 0.26 | 22% | 0.222 | S | C | . | . | trans | -52.6 | 149.2 | 164.4 | -25.5 | 35.7 | 0 | 0 | 0 | 111.5 | E381 I382 A383 | P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 2.86Å; P379-E381 VanDerWaalsContact O-N 3.17Å; P379-I382 HydrophobicContact CB-CD1 4.45Å; P379-I382 HydrophobicContact CG-CD1 4.21Å; P379-I382 PolarHBondContact O-N 3.18Å; P379-I382 VanDerWaalsContact O-N 3.1Å; P379-A383 WeakPolarHBondContact O-CB 3.39Å; P379-A383 PolarHBondContact O-N 2.87Å | ||
| 380 | P | 91.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.039 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.4 | -42.1 | -165.3 | -27.3 | 34.7 | 0 | 0 | 0 | 115.6 | L268 Y276 L329 A383 M384 | L268-P380 HydrophobicContact CD1-CG 3.92Å; L268-P380 HydrophobicContact CD2-CG 3.7Å; L268-P380 HydrophobicContact CG-CG 4.44Å; Y276-P380 HydrophobicContact CD1-CB 4Å; Y276-P380 HydrophobicContact CD2-CB 3.47Å; Y276-P380 VanDerWaalsContact CD2-CB 3.47Å; Y276-P380 HydrophobicContact CD2-CG 3.9Å; Y276-P380 HydrophobicContact CE1-CB 3.89Å; Y276-P380 HydrophobicContact CE2-CB 3.3Å; Y276-P380 HydrophobicContact CE2-CG 3.79Å; Y276-P380 HydrophobicContact CG-CB 3.81Å; L329-P380 HydrophobicContact CB-CB 4.29Å; L329-P380 HydrophobicContact CB-CG 4.25Å; L329-P380 HydrophobicContact CD2-CB 4.14Å; P380-A383 PolarHBondContact O-N 2.93Å; P380-M384 WeakPolarHBondContact O-CB 3.23Å; P380-M384 WeakPolarHBondContact O-CG 3.44Å; P380-M384 PolarHBondContact O-N 2.91Å |
| 381 | E | 92.2 | Very high | 94.6 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 47% | 0.467 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.4 | -40 | -176.5 | -55.9 | 67.6 | -145.4 | 0 | 0 | 110.4 | Y276 P379 R385 | Y276-E381 PolarHBondContact OH-OE1 2.79Å; P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 2.86Å; P379-E381 VanDerWaalsContact O-N 3.17Å; E381-R385 WeakPolarHBondContact O-CB 3.44Å; E381-R385 PolarHBondContact O-N 3.28Å; E381-R385 VanDerWaalsContact O-N 3.11Å |
| 382 | I | 93.4 | Very high | 94.9 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.7 | -44.3 | 175.2 | -59.8 | -179.6 | 0 | 0 | 0 | 109.9 | T359 A361 A378 P379 M384 R385 V386 | T359-I382 VanDerWaalsContact O-CG2 3.3Å; T359-I382 WeakPolarHBondContact O-CG2 3.49Å; A361-I382 HydrophobicContact CB-CG2 4.24Å; A378-I382 HydrophobicContact CB-CB 4.08Å; A378-I382 HydrophobicContact CB-CG2 3.83Å; P379-I382 HydrophobicContact CB-CD1 4.45Å; P379-I382 HydrophobicContact CG-CD1 4.21Å; P379-I382 PolarHBondContact O-N 3.18Å; P379-I382 VanDerWaalsContact O-N 3.1Å; I382-M384 VanDerWaalsContact C-N 3.34Å; I382-M384 PolarHBondContact O-N 3.22Å; I382-R385 PolarHBondContact O-N 3.02Å; I382-V386 HydrophobicContact CG2-CG2 4.24Å; I382-V386 WeakPolarHBondContact O-CB 3.31Å; I382-V386 WeakPolarHBondContact O-CG2 3.28Å; I382-V386 PolarHBondContact O-N 2.81Å |
| 383 | A | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -46 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L329 L331 I376 A378 P379 P380 A387 | L329-A383 HydrophobicContact CB-CB 4.06Å; L329-A383 HydrophobicContact CD2-CB 4.21Å; L331-A383 HydrophobicContact CD1-CB 3.96Å; L331-A383 HydrophobicContact CG-CB 4.35Å; I376-A383 HydrophobicContact CG2-CB 4.36Å; A378-A383 HydrophobicContact CB-CB 4.07Å; P379-A383 WeakPolarHBondContact O-CB 3.39Å; P379-A383 PolarHBondContact O-N 2.87Å; P380-A383 PolarHBondContact O-N 2.93Å; A383-A387 WeakPolarHBondContact O-CB 3.3Å; A383-A387 PolarHBondContact O-N 2.82Å |
| 384 | M | 95.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 15% | 0.153 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 175.4 | -75.3 | -61.8 | -58.3 | 0 | 0 | 112.4 | Y276 I279 A280 F285 L331 P380 I382 A387 H388 | Y276-M384 HydrophobicContact CD1-CG 4.42Å; I279-M384 HydrophobicContact CG2-CE 3.71Å; I279-M384 HydrophobicContact CG2-SD 4.42Å; A280-M384 HydrophobicContact CB-SD 4.07Å; F285-M384 HydrophobicContact CD2-CE 4.22Å; F285-M384 HydrophobicContact CD2-SD 4.17Å; F285-M384 HydrophobicContact CE2-CE 3.82Å; F285-M384 HydrophobicContact CE2-SD 4.23Å; L331-M384 HydrophobicContact CD1-CG 4.42Å; L331-M384 HydrophobicContact CD1-SD 3.82Å; P380-M384 WeakPolarHBondContact O-CB 3.23Å; P380-M384 WeakPolarHBondContact O-CG 3.44Å; P380-M384 PolarHBondContact O-N 2.91Å; I382-M384 VanDerWaalsContact C-N 3.34Å; I382-M384 PolarHBondContact O-N 3.22Å; M384-A387 PolarHBondContact O-N 2.79Å; M384-H388 WeakPolarHBondContact O-CB 3.47Å; M384-H388 PolarHBondContact O-N 2.79Å |
| 385 | R | 95.1 | Very high | 94.8 | Very high | 182 Ų | 182 | 45 Ų | 45 | 69% | 0.687 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.6 | -47.6 | 177.6 | -170.5 | -174 | -59.8 | -176.2 | 1.3 | 111.9 | E381 I382 H388 H389 | E381-R385 WeakPolarHBondContact O-CB 3.44Å; E381-R385 PolarHBondContact O-N 3.28Å; E381-R385 VanDerWaalsContact O-N 3.11Å; I382-R385 PolarHBondContact O-N 3.02Å; R385-H388 PolarHBondContact O-N 3.24Å; R385-H389 WeakPolarHBondContact O-CB 3.49Å; R385-H389 PolarHBondContact O-N 3.44Å |
| 386 | V | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -42 | 176.2 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | T359 A361 I363 I376 I382 H388 H389 L390 | T359-V386 HydrophobicContact CG2-CG2 3.85Å; A361-V386 HydrophobicContact CB-CG2 3.95Å; I363-V386 HydrophobicContact CD1-CG1 3.5Å; I363-V386 VanDerWaalsContact CD1-CG1 3.5Å; I363-V386 HydrophobicContact CG1-CG1 3.96Å; I376-V386 HydrophobicContact CD1-CB 4.28Å; I376-V386 HydrophobicContact CD1-CG1 3.76Å; I376-V386 HydrophobicContact CG1-CG1 3.96Å; I376-V386 HydrophobicContact CG2-CB 4.32Å; I376-V386 HydrophobicContact CG2-CG1 4.1Å; I382-V386 HydrophobicContact CG2-CG2 4.24Å; I382-V386 WeakPolarHBondContact O-CB 3.31Å; I382-V386 WeakPolarHBondContact O-CG2 3.28Å; I382-V386 PolarHBondContact O-N 2.81Å; V386-H388 VanDerWaalsContact C-N 3.35Å; V386-H388 PolarHBondContact O-N 2.93Å; V386-H389 PolarHBondContact O-N 3.3Å; V386-L390 HydrophobicContact CG1-CD1 4.18Å; V386-L390 HydrophobicContact CG1-CG 4.3Å; V386-L390 WeakPolarHBondContact O-CG 3.29Å; V386-L390 PolarHBondContact O-N 3.48Å |
| 387 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F285 L331 V333 I376 A383 M384 A391 | F285-A387 HydrophobicContact CD1-CB 4.19Å; F285-A387 HydrophobicContact CD2-CB 3.78Å; F285-A387 HydrophobicContact CE1-CB 3.97Å; F285-A387 HydrophobicContact CE2-CB 3.52Å; F285-A387 HydrophobicContact CG-CB 4.13Å; F285-A387 HydrophobicContact CZ-CB 3.64Å; L331-A387 HydrophobicContact CD1-CB 3.89Å; V333-A387 HydrophobicContact CG2-CB 3.76Å; I376-A387 VanDerWaalsContact CD1-CA 3.48Å; I376-A387 HydrophobicContact CD1-CB 3.67Å; A383-A387 WeakPolarHBondContact O-CB 3.3Å; A383-A387 PolarHBondContact O-N 2.82Å; M384-A387 PolarHBondContact O-N 2.79Å; A387-A391 WeakPolarHBondContact O-CB 3.2Å; A387-A391 PolarHBondContact O-N 2.99Å; A387-A391 VanDerWaalsContact O-N 3.11Å |
| 388 | H | 96.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 49 Ų | 49 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 173.2 | -168.3 | -79.6 | 0 | 0 | 0 | 111.5 | M384 R385 V386 L390 A391 T392 | M384-H388 WeakPolarHBondContact O-CB 3.47Å; M384-H388 PolarHBondContact O-N 2.79Å; R385-H388 PolarHBondContact O-N 3.24Å; V386-H388 VanDerWaalsContact C-N 3.35Å; V386-H388 PolarHBondContact O-N 2.93Å; H388-L390 PolarHBondContact O-N 2.85Å; H388-A391 PolarHBondContact O-N 3.17Å; H388-A391 VanDerWaalsContact O-N 3.12Å; H388-T392 PolarHBondContact CE1-OG1 2.86Å; H388-T392 PolarHBondContact ND1-OG1 3.29Å; H388-T392 PolarHBondContact O-N 2.92Å; H388-T392 PolarHBondContact O-OG1 2.75Å |
| 389 | H | 95 | Very high | 94.4 | Very high | 101 Ų | 101 | 54.1 Ų | 54.1 | 47% | 0.468 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.2 | -44 | -179.3 | -174.4 | 90.1 | 0 | 0 | 0 | 112.9 | R385 V386 A391 R393 | R385-H389 WeakPolarHBondContact O-CB 3.49Å; R385-H389 PolarHBondContact O-N 3.44Å; V386-H389 PolarHBondContact O-N 3.3Å; H389-A391 PolarHBondContact O-N 3Å; H389-R393 WeakPolarHBondContact O-CB 3.29Å; H389-R393 PolarHBondContact O-N 2.94Å |
| 390 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 176.4 | -63.8 | -176.4 | 0 | 0 | 0 | 112.5 | V333 I344 I352 I355 I363 F374 I376 V386 H388 A394 | V333-L390 HydrophobicContact CB-CB 4.49Å; V333-L390 HydrophobicContact CG1-CB 4.15Å; V333-L390 HydrophobicContact CG2-CB 4.44Å; I344-L390 HydrophobicContact CG2-CD2 3.71Å; I352-L390 HydrophobicContact CD1-CD2 4.32Å; I355-L390 HydrophobicContact CD1-CD2 4.16Å; I363-L390 HydrophobicContact CG2-CD1 4.14Å; F374-L390 HydrophobicContact CB-CD1 3.81Å; F374-L390 HydrophobicContact CD1-CD1 4.38Å; F374-L390 HydrophobicContact CG-CD1 4.04Å; I376-L390 HydrophobicContact CD1-CD1 4.18Å; I376-L390 HydrophobicContact CG1-CD1 4.33Å; V386-L390 HydrophobicContact CG1-CD1 4.18Å; V386-L390 HydrophobicContact CG1-CG 4.3Å; V386-L390 WeakPolarHBondContact O-CG 3.29Å; V386-L390 PolarHBondContact O-N 3.48Å; H388-L390 PolarHBondContact O-N 2.85Å; L390-A394 WeakPolarHBondContact O-CB 3.35Å; L390-A394 PolarHBondContact O-N 3.29Å |
| 391 | A | 96 | Very high | 94.1 | Very high | 35 Ų | 35 | 58.9 Ų | 58.9 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.6 | -46 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F285 V333 A387 H388 H389 R393 A394 Q395 | F285-A391 HydrophobicContact CE1-CB 4.02Å; V333-A391 HydrophobicContact CG1-CB 4.04Å; A387-A391 WeakPolarHBondContact O-CB 3.2Å; A387-A391 PolarHBondContact O-N 2.99Å; A387-A391 VanDerWaalsContact O-N 3.11Å; H388-A391 PolarHBondContact O-N 3.17Å; H388-A391 VanDerWaalsContact O-N 3.12Å; H389-A391 PolarHBondContact O-N 3Å; A391-R393 VanDerWaalsContact C-N 3.31Å; A391-R393 PolarHBondContact O-N 2.89Å; A391-A394 WeakPolarHBondContact O-CB 3.45Å; A391-A394 PolarHBondContact O-N 3.49Å; A391-Q395 PolarHBondContact O-N 3.42Å |
| 392 | T | 95.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 172.9 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | H388 A394 Q395 E396 | H388-T392 PolarHBondContact CE1-OG1 2.86Å; H388-T392 PolarHBondContact ND1-OG1 3.29Å; H388-T392 PolarHBondContact O-N 2.92Å; H388-T392 PolarHBondContact O-OG1 2.75Å; T392-A394 PolarHBondContact O-N 3.49Å; T392-Q395 CarbonylContact O-C 3.56Å; T392-Q395 WeakPolarHBondContact O-CA 3.31Å; T392-Q395 WeakPolarHBondContact O-CB 3.45Å; T392-Q395 PolarHBondContact O-N 2.92Å; T392-E396 WeakPolarHBondContact O-CG 3.48Å; T392-E396 PolarHBondContact O-N 3.46Å |
| 393 | R | 94.2 | Very high | 93.5 | Very high | 75 Ų | 75 | 60.8 Ų | 60.8 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 178.1 | -173.3 | 57.7 | -169.4 | -171.7 | 6.2 | 112.6 | E343 I344 H389 A391 Q395 E396 I397 | E343-R393 IonicContact OE1-CZ 3.8Å; E343-R393 IonicContact OE1-NE 2.68Å; E343-R393 IonicContact OE1-NH2 2.91Å; E343-R393 PolarHBondContact OE1-NH2 3.22Å; I344-R393 HydrophobicContact CG1-CB 4.34Å; I344-R393 HydrophobicContact CG1-CG 3.89Å; H389-R393 WeakPolarHBondContact O-CB 3.29Å; H389-R393 PolarHBondContact O-N 2.94Å; A391-R393 VanDerWaalsContact C-N 3.31Å; A391-R393 PolarHBondContact O-N 2.89Å; R393-Q395 VanDerWaalsContact C-N 3.27Å; R393-Q395 PolarHBondContact O-N 3.44Å; R393-E396 WeakPolarHBondContact CD-OE2 3.32Å; R393-E396 IonicContact CZ-OE2 3.61Å; R393-E396 IonicContact NE-OE2 2.7Å; R393-E396 IonicContact NH1-OE2 2.67Å; R393-E396 PolarHBondContact NH1-OE2 3.48Å; R393-E396 PolarHBondContact O-N 3.37Å; R393-I397 HydrophobicContact CG-CD1 3.89Å; R393-I397 HydrophobicContact CG-CG1 4.42Å; R393-I397 VanDerWaalsContact O-CD1 3.3Å; R393-I397 WeakPolarHBondContact O-CD1 3.38Å; R393-I397 WeakPolarHBondContact O-CG1 3.5Å; R393-I397 PolarHBondContact O-N 2.65Å |
| 394 | A | 95.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V335 I344 L390 A391 T392 T398 | V335-A394 HydrophobicContact CG1-CB 4.32Å; V335-A394 HydrophobicContact CG2-CB 4.15Å; I344-A394 HydrophobicContact CD1-CB 4.08Å; L390-A394 WeakPolarHBondContact O-CB 3.35Å; L390-A394 PolarHBondContact O-N 3.29Å; A391-A394 WeakPolarHBondContact O-CB 3.45Å; A391-A394 PolarHBondContact O-N 3.49Å; T392-A394 PolarHBondContact O-N 3.49Å; A394-T398 PolarHBondContact O-N 3.09Å; A394-T398 VanDerWaalsContact O-N 3.1Å; A394-T398 PolarHBondContact O-OG1 2.94Å |
| 395 | Q | 94.8 | Very high | 92 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -71.2 | -44.4 | 176.1 | -170.5 | -178.9 | -9.5 | 0 | 0 | 112.4 | A391 T392 R393 I397 T398 Q399 | A391-Q395 PolarHBondContact O-N 3.42Å; T392-Q395 CarbonylContact O-C 3.56Å; T392-Q395 WeakPolarHBondContact O-CA 3.31Å; T392-Q395 WeakPolarHBondContact O-CB 3.45Å; T392-Q395 PolarHBondContact O-N 2.92Å; R393-Q395 VanDerWaalsContact C-N 3.27Å; R393-Q395 PolarHBondContact O-N 3.44Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.83Å; Q395-T398 WeakPolarHBondContact O-CB 3.3Å; Q395-T398 PolarHBondContact O-N 2.72Å; Q395-T398 VanDerWaalsContact O-N 3.12Å; Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.45Å |
| 396 | E | 93.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 34% | 0.341 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.6 | -46.1 | 173.1 | -72.3 | 167.5 | -155.3 | 0 | 0 | 111.7 | T392 R393 T398 Q399 S400 | T392-E396 WeakPolarHBondContact O-CG 3.48Å; T392-E396 PolarHBondContact O-N 3.46Å; R393-E396 WeakPolarHBondContact CD-OE2 3.32Å; R393-E396 IonicContact CZ-OE2 3.61Å; R393-E396 IonicContact NE-OE2 2.7Å; R393-E396 IonicContact NH1-OE2 2.67Å; R393-E396 PolarHBondContact NH1-OE2 3.48Å; R393-E396 PolarHBondContact O-N 3.37Å; E396-T398 VanDerWaalsContact C-N 3.32Å; E396-T398 PolarHBondContact O-N 2.88Å; E396-Q399 PolarHBondContact O-N 2.81Å; E396-S400 WeakPolarHBondContact O-CB 3.41Å; E396-S400 PolarHBondContact O-N 2.93Å; E396-S400 PolarHBondContact O-OG 2.71Å |
| 397 | I | 93.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 178.3 | -64.9 | 162.6 | 0 | 0 | 0 | 110.5 | H340 E343 I344 R393 Q395 S400 K401 | H340-I397 HydrophobicContact CB-CG2 4.45Å; H340-I397 WeakPolarHBondContact CD2-CG2 3.24Å; E343-I397 HydrophobicContact CB-CD1 3.94Å; E343-I397 HydrophobicContact CG-CD1 4.45Å; E343-I397 WeakPolarHBondContact OE1-CG1 3.15Å; E343-I397 WeakPolarHBondContact OE2-CG2 3.3Å; I344-I397 HydrophobicContact CD1-CD1 4.4Å; I344-I397 HydrophobicContact CG1-CD1 3.75Å; R393-I397 HydrophobicContact CG-CD1 3.89Å; R393-I397 HydrophobicContact CG-CG1 4.42Å; R393-I397 VanDerWaalsContact O-CD1 3.3Å; R393-I397 WeakPolarHBondContact O-CD1 3.38Å; R393-I397 WeakPolarHBondContact O-CG1 3.5Å; R393-I397 PolarHBondContact O-N 2.65Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.83Å; I397-S400 PolarHBondContact O-N 3.19Å; I397-K401 HydrophobicContact CG2-CD 4.04Å; I397-K401 VanDerWaalsContact CG2-NZ 3.34Å; I397-K401 WeakPolarHBondContact O-CB 3.44Å; I397-K401 VanDerWaalsContact O-CG 3.31Å; I397-K401 WeakPolarHBondContact O-CG 3.33Å; I397-K401 PolarHBondContact O-N 2.86Å |
| 398 | T | 92.8 | Very high | 87.7 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.7 | -56 | 0 | 0 | 0 | 0 | 110.7 | H340 A394 Q395 E396 K401 I402 | H340-T398 PolarHBondContact NE2-OG1 3.13Å; A394-T398 PolarHBondContact O-N 3.09Å; A394-T398 VanDerWaalsContact O-N 3.1Å; A394-T398 PolarHBondContact O-OG1 2.94Å; Q395-T398 WeakPolarHBondContact O-CB 3.3Å; Q395-T398 PolarHBondContact O-N 2.72Å; Q395-T398 VanDerWaalsContact O-N 3.12Å; E396-T398 VanDerWaalsContact C-N 3.32Å; E396-T398 PolarHBondContact O-N 2.88Å; T398-K401 PolarHBondContact O-N 3.36Å; T398-I402 HydrophobicContact CG2-CD1 4.22Å; T398-I402 WeakPolarHBondContact O-CG1 3.48Å; T398-I402 PolarHBondContact O-N 3.34Å; T398-I402 VanDerWaalsContact O-N 3.13Å |
| 399 | Q | 91 | Very high | 86 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 175.2 | -66.9 | -179.9 | 40.9 | 0 | 0 | 111.8 | Q395 E396 K401 I402 V403 | Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.45Å; E396-Q399 PolarHBondContact O-N 2.81Å; Q399-K401 VanDerWaalsContact C-N 3.28Å; Q399-K401 PolarHBondContact O-N 2.66Å; Q399-I402 PolarHBondContact O-N 2.95Å; Q399-I402 VanDerWaalsContact O-N 3.1Å; Q399-V403 WeakPolarHBondContact O-CG2 3.37Å; Q399-V403 PolarHBondContact O-N 3.07Å |
| 400 | S | 90.2 | Very high | 84.1 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 178.7 | -58 | 0 | 0 | 0 | 0 | 112 | E396 I397 A404 | E396-S400 WeakPolarHBondContact O-CB 3.41Å; E396-S400 PolarHBondContact O-N 2.93Å; E396-S400 PolarHBondContact O-OG 2.71Å; I397-S400 PolarHBondContact O-N 3.19Å; S400-A404 VanDerWaalsContact O-CB 3.26Å; S400-A404 WeakPolarHBondContact O-CB 3.44Å; S400-A404 PolarHBondContact O-N 3.4Å |
| 401 | K | 87.3 | Confident | 82.1 | Confident | 77 Ų | 77 | 88 Ų | 88 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 176.5 | -74.3 | 168.8 | -175.1 | 169.4 | 0 | 112.7 | H340 I397 T398 Q399 G405 | H340-K401 PolarHBondContact CD2-NZ 2.9Å; H340-K401 PolarHBondContact CE1-NZ 3.13Å; H340-K401 PolarHBondContact ND1-NZ 2.75Å; H340-K401 PolarHBondContact NE2-NZ 3Å; I397-K401 HydrophobicContact CG2-CD 4.04Å; I397-K401 VanDerWaalsContact CG2-NZ 3.34Å; I397-K401 WeakPolarHBondContact O-CB 3.44Å; I397-K401 VanDerWaalsContact O-CG 3.31Å; I397-K401 WeakPolarHBondContact O-CG 3.33Å; I397-K401 PolarHBondContact O-N 2.86Å; T398-K401 PolarHBondContact O-N 3.36Å; Q399-K401 VanDerWaalsContact C-N 3.28Å; Q399-K401 PolarHBondContact O-N 2.66Å; K401-G405 PolarHBondContact O-N 3.12Å |
| 402 | I | 87.3 | Confident | 80 | Confident | 114 Ų | 114 | 92 Ų | 92 | 59% | 0.585 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64 | -49.2 | 175.4 | -67.2 | 163.5 | 0 | 0 | 0 | 110 | T398 Q399 A404 G405 E406 | T398-I402 HydrophobicContact CG2-CD1 4.22Å; T398-I402 WeakPolarHBondContact O-CG1 3.48Å; T398-I402 PolarHBondContact O-N 3.34Å; T398-I402 VanDerWaalsContact O-N 3.13Å; Q399-I402 PolarHBondContact O-N 2.95Å; Q399-I402 VanDerWaalsContact O-N 3.1Å; I402-A404 PolarHBondContact O-N 3.07Å; I402-G405 PolarHBondContact O-N 2.72Å; I402-G405 VanDerWaalsContact O-N 3.13Å; I402-E406 PolarHBondContact O-N 2.84Å |
| 403 | V | 86 | Confident | 77.7 | Confident | 82 Ų | 82 | 95 Ų | 95 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 178.8 | 174.7 | 0 | 0 | 0 | 0 | 112 | Q399 R407 | Q399-V403 WeakPolarHBondContact O-CG2 3.37Å; Q399-V403 PolarHBondContact O-N 3.07Å; V403-R407 PolarHBondContact O-N 3.15Å |
| 404 | A | 80.3 | Confident | 75.5 | Confident | 56 Ų | 56 | 96.4 Ų | 96.4 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -32 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S400 I402 | S400-A404 VanDerWaalsContact O-CB 3.26Å; S400-A404 WeakPolarHBondContact O-CB 3.44Å; S400-A404 PolarHBondContact O-N 3.4Å; I402-A404 PolarHBondContact O-N 3.07Å |
| 405 | G | 77.1 | Confident | 73.1 | Confident | 37 Ų | 37 | 103.9 Ų | 103.9 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.1 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K401 I402 R407 R408 R409 | K401-G405 PolarHBondContact O-N 3.12Å; I402-G405 PolarHBondContact O-N 2.72Å; I402-G405 VanDerWaalsContact O-N 3.13Å; G405-R407 VanDerWaalsContact C-N 3.34Å; G405-R407 PolarHBondContact O-N 2.71Å; G405-R408 PolarHBondContact O-N 3.11Å; G405-R409 PolarHBondContact O-N 3.09Å; G405-R409 VanDerWaalsContact O-N 3.13Å |
| 406 | E | 69.9 | Low | 70.6 | Confident | 130 Ų | 130 | 104.8 Ų | 104.8 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -41.3 | -178.6 | -163.7 | 60.1 | -159.4 | 0 | 0 | 112 | I402 R408 R409 G410 | I402-E406 PolarHBondContact O-N 2.84Å; E406-R408 PolarHBondContact O-N 3.46Å; E406-R408 VanDerWaalsContact O-N 3.09Å; E406-R409 PolarHBondContact O-N 2.84Å; E406-G410 PolarHBondContact O-N 2.83Å; E406-G410 VanDerWaalsContact O-N 3.15Å |
| 407 | R | 67.8 | Low | 68.1 | Low | 204 Ų | 204 | 106.2 Ų | 106.2 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.8 | -18.5 | 173.3 | -71 | -177.8 | -179.6 | 175.7 | 1 | 114.3 | V403 G405 | V403-R407 PolarHBondContact O-N 3.15Å; G405-R407 VanDerWaalsContact C-N 3.34Å; G405-R407 PolarHBondContact O-N 2.71Å |
| 408 | R | 61.8 | Low | 65.6 | Low | 212 Ų | 212 | 109.2 Ų | 109.2 | 80% | 0.8 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -96.2 | -21.5 | 173.6 | -69.6 | -176.5 | 171.9 | -174.5 | -2.8 | 113.2 | G405 E406 | G405-R408 PolarHBondContact O-N 3.11Å; E406-R408 PolarHBondContact O-N 3.46Å; E406-R408 VanDerWaalsContact O-N 3.09Å |
| 409 | R | 59.4 | Low | 63.2 | Low | 200 Ų | 200 | 113.6 Ų | 113.6 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83.4 | -26.2 | 179.8 | -142 | 173 | -167.2 | -132.2 | -1.8 | 112.9 | G405 E406 S411 | G405-R409 PolarHBondContact O-N 3.09Å; G405-R409 VanDerWaalsContact O-N 3.13Å; E406-R409 PolarHBondContact O-N 2.84Å; R409-S411 PolarHBondContact O-N 2.8Å |
| 410 | G | 55.6 | Low | 60.8 | Low | 57 Ų | 57 | 115.6 Ų | 115.6 | 59% | 0.588 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | E406 | E406-G410 PolarHBondContact O-N 2.83Å; E406-G410 VanDerWaalsContact O-N 3.15Å |
| 411 | S | 54.9 | Low | 58.6 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 8 | -175 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | R409 | R409-S411 PolarHBondContact O-N 2.8Š|
| 412 | T | 52.4 | Low | 56.1 | Low | 120 Ų | 120 | 117.6 Ų | 117.6 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | -133.6 | 57.8 | 178.5 | 61.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 413 | S | 46.2 | Very low | 54 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | trans | -134.6 | 51.3 | 178.2 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 414 | S | 48.2 | Very low | 51.7 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -117.1 | 99.4 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 415 | Q | 46 | Very low | 49.8 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | 55.9 | 101.2 | 156.7 | -61.7 | 176.4 | -53.7 | 0 | 0 | 119.1 | ||||
| 416 | P | 42.2 | Very low | 48 | Very low | 137 Ų | 137 | 132 Ų | 132 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -83.1 | 106.3 | 137.9 | 32.6 | -25.3 | 0 | 0 | 0 | 108.9 | ||||
| 417 | C | 39.5 | Very low | 46.4 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | -133.2 | 102.5 | 173.3 | 54.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 418 | G | 42.3 | Very low | 45.1 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -157.1 | 137.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 419 | T | 42.9 | Very low | 44.2 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 143.1 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 420 | D | 39.7 | Very low | 43.4 | Very low | 149 Ų | 149 | 120.1 Ų | 120.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | cis | -151.5 | -169.7 | 2.3 | -146.1 | -30.2 | 0 | 0 | 0 | 111.2 | ||||
| 421 | S | 43.8 | Very low | 42.6 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 81.6 | 64.8 | 164.9 | -56.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 422 | G | 35.3 | Very low | 42 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | 36.2 | 122.7 | 129.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 423 | V | 42.9 | Very low | 41.5 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -119.4 | 149.2 | 139.8 | -76.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 424 | N | 37.7 | Very low | 41.2 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -84.3 | 168.5 | -165.5 | -159.7 | 7.7 | 0 | 0 | 0 | 113.6 | ||||
| 425 | M | 39.8 | Very low | 41.1 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -65.8 | 160.7 | -178.1 | -134.2 | -168 | -156 | 0 | 0 | 114.6 | ||||
| 426 | T | 39.5 | Very low | 40.5 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 77.5 | 151.4 | 153.4 | 58.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 427 | N | 35.5 | Very low | 40.4 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 84.1 | 162.9 | -72.3 | 4.6 | 0 | 0 | 0 | 121 | ||||
| 428 | A | 41 | Very low | 40.5 | Very low | 88 Ų | 88 | 120.6 Ų | 120.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -177.2 | 128.3 | 111.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 429 | S | 43.6 | Very low | 40.5 | Very low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 63.5 | 121.1 | 50.2 | 80.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 430 | T | 41.6 | Very low | 40.2 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | cis | -167.5 | 155.7 | 7 | -5.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 431 | G | 39.2 | Very low | 40.1 | Very low | 62 Ų | 62 | 117.5 Ų | 117.5 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | 75.7 | 168 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 432 | N | 42 | Very low | 39.9 | Very low | 160 Ų | 160 | 117.4 Ų | 117.4 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | cis | -166.3 | 149.4 | -8 | -105.4 | 6.5 | 0 | 0 | 0 | 106.4 | ||||
| 433 | S | 43.4 | Very low | 40 | Very low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -156.4 | 160.3 | -2.7 | -70.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 434 | G | 39.9 | Very low | 39.8 | Very low | 69 Ų | 69 | 120.5 Ų | 120.5 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -93.6 | -140 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 435 | P | 44.4 | Very low | 39.8 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | cis | -144.4 | -167 | -13.9 | 41.5 | -21.7 | 0 | 0 | 0 | 114.9 | ||||
| 436 | N | 34.9 | Very low | 39.7 | Very low | 138 Ų | 138 | 119 Ų | 119 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | 69.4 | 156.6 | 166.2 | -57.2 | -27.4 | 0 | 0 | 0 | 116.9 | ||||
| 437 | L | 40.3 | Very low | 39.6 | Very low | 152 Ų | 152 | 120 Ų | 120 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -138 | 130.2 | 19.3 | -65.2 | 154.1 | 0 | 0 | 0 | 108.8 | ||||
| 438 | T | 41.3 | Very low | 39.7 | Very low | 112 Ų | 112 | 117 Ų | 117 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | 52.1 | 143.3 | 78.7 | 65.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 439 | P | 42.3 | Very low | 39.6 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | cis | -143 | 162.9 | -33.5 | 39.9 | -23.2 | 0 | 0 | 0 | 115.8 | ||||
| 440 | G | 36.8 | Very low | 39.3 | Very low | 83 Ų | 83 | 119 Ų | 119 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | 151.5 | 135.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 441 | G | 37.8 | Very low | 39 | Very low | 77 Ų | 77 | 117.8 Ų | 117.8 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 99.1 | 96.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 442 | S | 38.4 | Very low | 39.2 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 16.4 | 134.3 | 141.9 | -57 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 443 | N | 38.5 | Very low | 38.9 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | cis | -157.1 | 146.7 | 3.8 | -83.4 | -34.8 | 0 | 0 | 0 | 112.4 | ||||
| 444 | N | 38.9 | Very low | 38.5 | Very low | 154 Ų | 154 | 117.9 Ų | 117.9 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 59.2 | 96.8 | 151.8 | -63.8 | -3.4 | 0 | 0 | 0 | 123.3 | ||||
| 445 | F | 37.3 | Very low | 38.3 | Very low | 194 Ų | 194 | 117.8 Ų | 117.8 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | 76.7 | 91.6 | 126.2 | -148.9 | -100.9 | 0 | 0 | 0 | 122.2 | |||||
| 446 | V | 37.6 | Very low | 37.8 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 56% | 0.564 | 76% | 0.756 | S | S | * | * | 90.3 | 107.6 | 127.3 | 167.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 447 | I | 37.4 | Very low | 37.9 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | trans | 59.9 | 100.1 | 135.2 | -58 | 180 | 0 | 0 | 0 | 116.3 | ||||
| 448 | S | 37.9 | Very low | 37.4 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | 75.2 | 137.5 | 75.4 | -75.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 449 | N | 37.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 122 Ų | 122 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | cis | -152 | 129.7 | 12.9 | -112.1 | 9 | 0 | 0 | 0 | 110.1 | ||||
| 450 | T | 38.6 | Very low | 36.5 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | 62.6 | 142.5 | 91.9 | 67.4 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 451 | C | 34.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | cis | 179.6 | -148.5 | -42.7 | 57.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 452 | P | 42.6 | Very low | 36.1 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | trans | -135 | -160.6 | -135.9 | 42.1 | -17.9 | 0 | 0 | 0 | 116.2 | ||||
| 453 | A | 36 | Very low | 36 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | -145.1 | 134.7 | 152 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 454 | S | 36 | Very low | 35.7 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | cis | 80.8 | 128 | 44.7 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 455 | G | 35.2 | Very low | 35.4 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | cis | -159.2 | 154.8 | -2.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 456 | L | 34.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | 56.7 | 114 | 94 | -77.1 | 177.8 | 0 | 0 | 0 | 117.1 | |||||
| 457 | L | 36.5 | Very low | 35.1 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -147.3 | 150.1 | 140.4 | -83.9 | -172.1 | 0 | 0 | 0 | 109.9 | ||||
| 458 | S | 29.9 | Very low | 35 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -151.1 | 135.1 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 459 | L | 34.5 | Very low | 34.7 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -160 | 162.8 | 165.7 | -81 | 111.8 | 0 | 0 | 0 | 107.6 | ||||
| 460 | S | 30.3 | Very low | 34.6 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | 173.8 | 158.5 | -35.3 | -94 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 461 | N | 34.4 | Very low | 34.2 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | 72 | 131.7 | -178.7 | -47 | -27.4 | 0 | 0 | 0 | 113.5 | ||||
| 462 | S | 31.7 | Very low | 34.2 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | cis | 74 | 98 | 32.3 | -164.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 463 | V | 36.7 | Very low | 33.7 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | -167.4 | 134.3 | 110.3 | -91.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 464 | N | 32.6 | Very low | 33.6 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 43.9 | 143.5 | 135.8 | -52.3 | -14.7 | 0 | 0 | 0 | 123.3 | ||||
| 465 | N | 32.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | trans | 98.8 | 98.1 | 155.3 | -53.5 | -30 | 0 | 0 | 0 | 118.3 | ||||
| 466 | S | 32.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -69.8 | 152.3 | 150.1 | -46 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 467 | P | 35.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 74% | 0.74 | 74% | 0.737 | S | S | * | * | -140.4 | 161.8 | 108.7 | 23.7 | -4.5 | 0 | 0 | 0 | 111.5 | |||||
| 468 | L | 35.5 | Very low | 33 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | cis | 178.8 | 156.9 | -14.9 | -108.4 | 166.5 | 0 | 0 | 0 | 103.2 | ||||
| 469 | H | 31.6 | Very low | 33 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 69% | 0.694 | 74% | 0.735 | S | S | * | * | trans | -60 | 163.5 | 166.6 | -102.5 | -145.7 | 0 | 0 | 0 | 111.9 | S471 | H469-S471 PolarHBondContact CE1-OG 3.31Å; H469-S471 PolarHBondContact ND1-OG 3.12Å | ||
| 470 | P | 34.3 | Very low | 33 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | -114 | 122.4 | 107.7 | 31.4 | -33.7 | 0 | 0 | 0 | 112.6 | |||||
| 471 | S | 30.6 | Very low | 33 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 50% | 0.497 | 72% | 0.72 | S | S | . | * | trans | -101.8 | 132.3 | 149.7 | -70.5 | 0 | 0 | 0 | 0 | 107.7 | H469 | H469-S471 PolarHBondContact CE1-OG 3.31Å; H469-S471 PolarHBondContact ND1-OG 3.12Å | ||
| 472 | T | 35.2 | Very low | 32.7 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 71% | 0.711 | S | S | * | * | trans | -128.8 | 95 | 161.2 | 42.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 473 | T | 31.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | 62.4 | 66.3 | 58.4 | 81.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 474 | V | 33.4 | Very low | 32.5 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 89% | 0.891 | 71% | 0.705 | S | S | * | * | trans | -119.1 | 101.5 | 144.5 | -168.5 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 475 | N | 29.8 | Very low | 32.5 | Very low | 112 Ų | 112 | 120.4 Ų | 120.4 | 60% | 0.599 | 71% | 0.706 | S | S | * | * | cis | 77.4 | 55.1 | 18.1 | -155.3 | 23.1 | 0 | 0 | 0 | 116.4 | H477 | N475-H477 PolarHBondContact OD1-CE1 3.29Å; N475-H477 PolarHBondContact OD1-ND1 3.44Å | ||
| 476 | A | 35.3 | Very low | 32.2 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | -132.4 | 131.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 477 | H | 30.4 | Very low | 32 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.625 | 71% | 0.705 | S | S | * | * | cis | 61.4 | 127.2 | 41.8 | -69.4 | 91.7 | 0 | 0 | 0 | 112 | N475 | N475-H477 PolarHBondContact OD1-CE1 3.29Å; N475-H477 PolarHBondContact OD1-ND1 3.44Å | ||
| 478 | F | 34.4 | Very low | 31.7 | Very low | 176 Ų | 176 | 119.4 Ų | 119.4 | 77% | 0.772 | 70% | 0.702 | S | S | * | * | cis | -127.1 | 157.1 | 1.4 | -80.6 | -100.4 | 0 | 0 | 0 | 108 | ||||
| 479 | N | 30.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 117.1 Ų | 117.1 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | cis | 68.9 | 118.4 | 46.1 | -149 | 13.3 | 0 | 0 | 0 | 113.2 | ||||
| 480 | G | 33.9 | Very low | 31.3 | Very low | 48 Ų | 48 | 120.8 Ų | 120.8 | 50% | 0.495 | 70% | 0.703 | S | S | . | * | trans | 143.2 | 70.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 481 | V | 29.9 | Very low | 31.1 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 67% | 0.673 | 70% | 0.703 | S | S | * | * | 69 | 107.4 | 69.4 | -177.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 482 | I | 29.4 | Very low | 31 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | 65.5 | 117.6 | 153.3 | -63.9 | 167.5 | 0 | 0 | 0 | 118.6 | ||||
| 483 | L | 34.3 | Very low | 30.6 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 71% | 0.707 | 71% | 0.71 | S | S | * | * | -179.6 | 108.3 | 118 | -105.2 | 129.1 | 0 | 0 | 0 | 107.4 | |||||
| 484 | S | 29.3 | Very low | 30.4 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | 74 | 143.6 | 61.8 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 485 | S | 31.2 | Very low | 30 | Very low | 105 Ų | 105 | 120 Ų | 120 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | 82.4 | 109.1 | -176.6 | -46.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 486 | N | 26.6 | Very low | 30 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | 89.1 | 138.2 | 56.3 | -86.3 | -26.1 | 0 | 0 | 0 | 112.7 | |||||
| 487 | S | 29.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 65.8 | 156.6 | 179.3 | 91.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 488 | S | 29.4 | Very low | 29.4 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | cis | -168.2 | 159.5 | -4.6 | -125.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 489 | V | 31.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 122 Ų | 122 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | cis | -141.1 | 164.6 | -4.5 | -140.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 490 | R | 27.4 | Very low | 29.1 | Very low | 227 Ų | 227 | 118 Ų | 118 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | trans | 14.7 | 119.5 | 136.4 | -75.3 | 173 | 174.6 | -156.4 | -3.6 | 117 | ||||
| 491 | S | 28.9 | Very low | 28.8 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | 87.8 | 157 | 93.9 | -154.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 492 | S | 29.4 | Very low | 28.7 | Very low | 87 Ų | 87 | 124.5 Ų | 124.5 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | cis | -144.3 | 171.2 | 13.1 | -42 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 493 | N | 26 | Very low | 28.7 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 83% | 0.829 | 72% | 0.722 | S | S | * | * | trans | 25.3 | 116.2 | 142.4 | -50.4 | -10.2 | 0 | 0 | 0 | 117.8 | ||||
| 494 | A | 27.3 | Very low | 28.5 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | -175.2 | 125.5 | 116 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 495 | T | 25.2 | Very low | 28.5 | Very low | 115 Ų | 115 | 123 Ų | 123 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 61.5 | 172.4 | 138.3 | 66.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 496 | I | 29.6 | Very low | 28.3 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | S | Bend | 36.6 | 133.1 | 83.3 | -30 | 162.2 | 0 | 0 | 0 | 112.8 | |||
| 497 | F | 25 | Very low | 28.6 | Very low | 181 Ų | 181 | 117.2 Ų | 117.2 | 79% | 0.794 | 69% | 0.692 | S | S | * | * | trans | 90.8 | 120.6 | -178.8 | -69.1 | -88.7 | 0 | 0 | 0 | 118.6 | ||||
| 498 | T | 28.4 | Very low | 28.8 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 55% | 0.546 | 67% | 0.665 | S | S | . | * | trans | -12.4 | 142.7 | 144.5 | 56.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 499 | P | 31 | Very low | 28.7 | Very low | 139 Ų | 139 | 110.5 Ų | 110.5 | 90% | 0.903 | 65% | 0.651 | S | S | * | * | trans | -87.4 | 80.8 | 133.8 | 34 | -28.9 | 0 | 0 | 0 | 109.6 | ||||
| 500 | S | 28.6 | Very low | 28.7 | Very low | 64 Ų | 64 | 111 Ų | 111 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | trans | -89 | 168.8 | 153.4 | -72.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 501 | F | 27.4 | Very low | 29 | Very low | 195 Ų | 195 | 104 Ų | 104 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | trans | 69 | 150.1 | -177.9 | -32.3 | -69.6 | 0 | 0 | 0 | 112.3 | ||||
| 502 | S | 28.2 | Very low | 29.3 | Very low | 100 Ų | 100 | 105.8 Ų | 105.8 | 70% | 0.699 | 64% | 0.637 | S | S | * | * | cis | -137.9 | 129.6 | 12.4 | -48.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 503 | S | 29.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 106.1 Ų | 106.1 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | 73.3 | 125 | 100.3 | 83.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 504 | L | 30 | Very low | 29.8 | Very low | 157 Ų | 157 | 107 Ų | 107 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | cis | -158.7 | 174.1 | 11.2 | -85.8 | 125.7 | 0 | 0 | 0 | 108.7 | ||||
| 505 | P | 28.1 | Very low | 30 | Very low | 64 Ų | 64 | 105.8 Ų | 105.8 | 42% | 0.416 | 64% | 0.639 | S | S | . | * | cis | -119.8 | 133.8 | -19.1 | 31.8 | -16.4 | 0 | 0 | 0 | 111.5 | I1258 | P505-I1258 WeakPolarHBondContact O-CG2 3.28Š| ||
| 506 | A | 29 | Very low | 30.4 | Very low | 88 Ų | 88 | 106 Ų | 106 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | trans | -71.2 | 134.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 507 | S | 32.9 | Very low | 30.7 | Very low | 44 Ų | 44 | 107.3 Ų | 107.3 | 31% | 0.308 | 65% | 0.648 | S | S | . | * | trans | -88.4 | -160 | 170.4 | -58.3 | 0 | 0 | 0 | 0 | 106.9 | G1259 E1260 | S507-G1259 VanDerWaalsContact CB-C 3.45Å; S507-G1259 VanDerWaalsContact CB-CA 3.44Å; S507-G1259 VanDerWaalsContact OG-CA 3.23Å; S507-G1259 WeakPolarHBondContact OG-CA 3.19Å; S507-E1260 VanDerWaalsContact C-CD 3.47Å; S507-E1260 VanDerWaalsContact C-OE2 3.26Å; S507-E1260 WeakPolarHBondContact CB-O 3.46Å; S507-E1260 PolarHBondContact N-OE2 3.35Å; S507-E1260 VanDerWaalsContact N-OE2 3.1Å | ||
| 508 | P | 31.7 | Very low | 31.1 | Very low | 37 Ų | 37 | 105 Ų | 105 | 24% | 0.24 | 64% | 0.643 | C | S | . | * | trans | -115.8 | 117.8 | -170.3 | 38.1 | -32 | 0 | 0 | 0 | 116.9 | E1260 G1261 R1262 | P508-E1260 VanDerWaalsContact C-OE1 3.32Å; P508-E1260 WeakPolarHBondContact CD-O 3.4Å; P508-G1261 WeakPolarHBondContact O-CA 3.23Å; P508-R1262 HydrophobicContact CB-CG 4Å; P508-R1262 HydrophobicContact CG-CB 3.66Å; P508-R1262 HydrophobicContact CG-CG 3.59Å | ||
| 509 | G | 28.8 | Very low | 31.3 | Very low | 38 Ų | 38 | 108.8 Ų | 108.8 | 39% | 0.392 | 66% | 0.655 | S | S | . | * | trans | -62.3 | 178.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1260 R1262 | G509-E1260 PolarHBondContact N-OE1 3.46Å; G509-R1262 VanDerWaalsContact O-CZ 3.32Å; G509-R1262 PolarHBondContact O-NE 3.45Å; G509-R1262 PolarHBondContact O-NH2 3.3Å | ||
| 510 | N | 30.4 | Very low | 31.2 | Very low | 125 Ų | 125 | 107.8 Ų | 107.8 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | trans | -131.6 | 109.6 | 170.6 | -103 | 17.6 | 0 | 0 | 0 | 106.4 | R1262 | N510-R1262 PolarHBondContact OD1-NE 3.5Š| ||
| 511 | S | 34.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 112.2 Ų | 112.2 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | 74.1 | 112.3 | 94.3 | 73 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 512 | N | 34.5 | Very low | 31.5 | Very low | 140 Ų | 140 | 109.2 Ų | 109.2 | 75% | 0.749 | 66% | 0.663 | S | S | * | * | cis | -151.7 | 138.8 | 46.9 | -71.3 | -46.6 | 0 | 0 | 0 | 109.7 | ||||
| 513 | S | 31.9 | Very low | 31.7 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | 48.1 | 131.8 | 80.4 | 79.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 514 | L | 33.4 | Very low | 31.8 | Very low | 172 Ų | 172 | 113 Ų | 113 | 90% | 0.901 | 67% | 0.67 | S | S | * | * | cis | -135 | 173 | 9 | -67.3 | 87.7 | 0 | 0 | 0 | 108.8 | ||||
| 515 | G | 32.4 | Very low | 31.8 | Very low | 58 Ų | 58 | 110.2 Ų | 110.2 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | cis | 140.5 | 136.7 | -3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 516 | S | 33.8 | Very low | 32 | Very low | 118 Ų | 118 | 114 Ų | 114 | 83% | 0.825 | 69% | 0.685 | S | S | * | * | trans | 66.4 | 158.7 | -173.4 | 87.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 517 | Q | 35 | Very low | 32 | Very low | 168 Ų | 168 | 113.3 Ų | 113.3 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | cis | -148.4 | -177.7 | -7.3 | -141.8 | 178.4 | -8.4 | 0 | 0 | 110.1 | ||||
| 518 | L | 33.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 119 Ų | 119 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | trans | -21.4 | 152.5 | 160.7 | -60.6 | 160.1 | 0 | 0 | 0 | 115.7 | ||||
| 519 | Q | 33.4 | Very low | 32.3 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | cis | -161.9 | 166.9 | 32.6 | -147.4 | 152.7 | -5.1 | 0 | 0 | 112.6 | ||||
| 520 | T | 28.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -72 | 137.2 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 521 | N | 32.5 | Very low | 32.6 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | -174.4 | 154.6 | 122.2 | -93.5 | -11.9 | 0 | 0 | 0 | 113.8 | |||||
| 522 | T | 30.2 | Very low | 32.5 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -61.1 | 131.2 | 178.3 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 523 | I | 33 | Very low | 32.4 | Very low | 163 Ų | 163 | 130 Ų | 130 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -149.5 | 153.5 | 150 | -99.6 | 146.2 | 0 | 0 | 0 | 108.4 | ||||
| 524 | T | 31.1 | Very low | 32.6 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -81.7 | 165.8 | -173.1 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 525 | S | 30 | Very low | 32.5 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 72.5 | 142.1 | 155.4 | 54.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 526 | T | 33 | Very low | 33.4 | Very low | 142 Ų | 142 | 129 Ų | 129 | 87% | 0.871 | 77% | 0.772 | S | S | * | * | trans | 58.5 | 109.5 | 159.2 | 49.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 527 | G | 28.9 | Very low | 34.5 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 121.2 | 176.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 528 | M | 36.6 | Very low | 36.6 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | 70.1 | 62.1 | 162.6 | -50.8 | -164 | 76 | 0 | 0 | 119.1 | S530 | M528-S530 VanDerWaalsContact C-N 3.35Š| ||
| 529 | F | 32.8 | Very low | 38.9 | Very low | 227 Ų | 227 | 124.2 Ų | 124.2 | 100% | 0.996 | 74% | 0.742 | S | S | * | * | trans | -99.2 | 64.8 | 136.4 | -85.1 | -64.8 | 0 | 0 | 0 | 110.6 | ||||
| 530 | S | 33.3 | Very low | 41.6 | Very low | 89 Ų | 89 | 119.7 Ų | 119.7 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -92.8 | 148.4 | 162.6 | -58.1 | 0 | 0 | 0 | 0 | 108.6 | M528 | M528-S530 VanDerWaalsContact C-N 3.35Š| ||
| 531 | S | 33.6 | Very low | 44.4 | Very low | 94 Ų | 94 | 115.3 Ų | 115.3 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | cis | -172 | 125.7 | -12.6 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 532 | T | 30.7 | Very low | 47.2 | Very low | 137 Ų | 137 | 108.3 Ų | 108.3 | 84% | 0.84 | 66% | 0.659 | S | S | * | * | trans | -128 | 63.1 | 157.3 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | T534 | T532-T534 PolarHBondContact O-N 2.97Š| ||
| 533 | S | 32.7 | Very low | 50.2 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | trans | -71.3 | 74.8 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | P535 | S533-P535 WeakPolarHBondContact O-CD 3.46Š| ||
| 534 | T | 37.2 | Very low | 53.1 | Low | 91 Ų | 91 | 101 Ų | 101 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | trans | -65.9 | 123.2 | 158.9 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | T532 G536 S537 | T532-T534 PolarHBondContact O-N 2.97Å; T534-G536 PolarHBondContact O-N 3.29Å; T534-S537 PolarHBondContact O-N 2.93Å; T534-S537 PolarHBondContact OG1-OG 3.14Å | ||
| 535 | P | 31.9 | Very low | 56 | Low | 140 Ų | 140 | 100.7 Ų | 100.7 | 91% | 0.909 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 107.7 | 179.6 | -22.2 | 34.2 | 0 | 0 | 0 | 110.2 | S533 | S533-P535 WeakPolarHBondContact O-CD 3.46Š|
| 536 | G | 49.7 | Very low | 59 | Low | 73 Ų | 73 | 96.3 Ų | 96.3 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.3 | -8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | T534 R538 | T534-G536 PolarHBondContact O-N 3.29Å; G536-R538 PolarHBondContact O-N 3.03Å |
| 537 | S | 57.1 | Low | 61.8 | Low | 85 Ų | 85 | 90 Ų | 90 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | trans | -67.1 | 87.6 | 175.7 | -77.8 | 0 | 0 | 0 | 0 | 113.1 | T534 | T534-S537 PolarHBondContact O-N 2.93Å; T534-S537 PolarHBondContact OG1-OG 3.14Å | ||
| 538 | R | 78.7 | Confident | 64.8 | Low | 150 Ų | 150 | 86.5 Ų | 86.5 | 57% | 0.566 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 128.1 | 161.9 | -64.1 | -163.8 | -80.4 | -117.3 | 4.8 | 109.1 | G536 L540 E574 Y597 | G536-R538 PolarHBondContact O-N 3.03Å; R538-L540 PolarHBondContact O-N 3.09Å; R538-E574 IonicContact CZ-OE2 3.68Å; R538-E574 IonicContact NE-OE2 3.97Å; R538-E574 IonicContact NH2-OE2 2.65Å; R538-E574 PolarHBondContact NH2-OE2 3.28Å; R538-Y597 HydrophobicContact CB-CD1 3.55Å; R538-Y597 HydrophobicContact CB-CE1 4.22Å; R538-Y597 HydrophobicContact CB-CG 3.88Å; R538-Y597 WeakPolarHBondContact O-CD1 3.46Å |
| 539 | V | 83.6 | Confident | 67.2 | Low | 82 Ų | 82 | 79.6 Ų | 79.6 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.9 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | Y597 Q598 | V539-Y597 CarbonylContact O-C 3.59Å; V539-Y597 VanDerWaalsContact O-CA 3.3Å; V539-Y597 WeakPolarHBondContact O-CA 3.19Å; V539-Q598 HydrophobicContact CB-CB 3.93Å; V539-Q598 PolarHBondContact O-N 2.78Å |
| 540 | L | 88.1 | Confident | 69.7 | Low | 75 Ų | 75 | 71.2 Ų | 71.2 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 121.1 | 176.9 | -178.4 | 139.3 | 0 | 0 | 0 | 109.6 | R538 R543 Y597 | R538-L540 PolarHBondContact O-N 3.09Å; L540-R543 HydrophobicContact CD1-CB 4.31Å; L540-R543 HydrophobicContact CD2-CB 4.07Å; L540-Y597 HydrophobicContact CB-CD1 4Å; L540-Y597 HydrophobicContact CB-CE1 3.87Å; L540-Y597 HydrophobicContact CD1-CE1 4.09Å; L540-Y597 HydrophobicContact CG-CE1 4.38Å |
| 541 | L | 88.5 | Confident | 72.1 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -37.4 | -178.3 | -65.7 | 177.8 | 0 | 0 | 0 | 112.6 | A596 Q598 L602 A608 | L541-A596 PolarHBondContact N-O 3.07Å; L541-Q598 HydrophobicContact CD1-CB 3.83Å; L541-Q598 HydrophobicContact CD1-CG 4.12Å; L541-Q598 HydrophobicContact CD2-CB 3.99Å; L541-Q598 HydrophobicContact CD2-CG 4.23Å; L541-Q598 HydrophobicContact CG-CB 3.83Å; L541-Q598 HydrophobicContact CG-CG 4.42Å; L541-L602 HydrophobicContact CD1-CB 4Å; L541-A608 HydrophobicContact CB-CB 3.41Å; L541-A608 VanDerWaalsContact CB-CB 3.41Å; L541-A608 HydrophobicContact CD1-CB 4.01Å; L541-A608 HydrophobicContact CG-CB 4.39Å |
| 542 | A | 91.1 | Very high | 74.7 | Confident | 11 Ų | 11 | 67 Ų | 67 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 153.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | A596 A608 E609 V612 | A542-A596 HydrophobicContact CB-CB 4.41Å; A542-A596 PolarHBondContact N-O 3.23Å; A542-A596 PolarHBondContact O-N 2.95Å; A542-A608 HydrophobicContact CB-CB 3.72Å; A542-E609 HydrophobicContact CB-CB 4.46Å; A542-E609 HydrophobicContact CB-CG 3.86Å; A542-V612 HydrophobicContact CB-CG2 3.87Å |
| 543 | R | 92.8 | Very high | 77.5 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 142.9 | -177.9 | -179.6 | 175.5 | 173.1 | 93.2 | -12.7 | 109.8 | L540 E593 I594 S595 | L540-R543 HydrophobicContact CD1-CB 4.31Å; L540-R543 HydrophobicContact CD2-CB 4.07Å; R543-E593 IonicContact CZ-OE1 3.81Å; R543-E593 IonicContact CZ-OE2 3.09Å; R543-E593 VanDerWaalsContact NH1-CD 3.26Å; R543-E593 IonicContact NH1-OE1 2.81Å; R543-E593 PolarHBondContact NH1-OE1 2.62Å; R543-E593 IonicContact NH1-OE2 2.75Å; R543-E593 IonicContact NH2-OE1 2.62Å; R543-E593 PolarHBondContact NH2-OE1 3.47Å; R543-E593 IonicContact NH2-OE2 3.56Å; R543-E593 PolarHBondContact NH2-OE2 3.04Å; R543-I594 CarbonylContact C-O 3.17Å; R543-I594 VanDerWaalsContact CA-O 3.29Å; R543-I594 WeakPolarHBondContact CA-O 3.19Å; R543-S595 PolarHBondContact NH1-OG 3.45Å |
| 544 | G | 93.4 | Very high | 80.1 | Confident | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 155.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I594 | G544-I594 PolarHBondContact N-O 3.5Å; G544-I594 WeakPolarHBondContact O-CB 3.14Å; G544-I594 PolarHBondContact O-N 3.5Å |
| 545 | R | 92.9 | Very high | 82.5 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 152.6 | 176.7 | -65.7 | -176.5 | 173.1 | -178.2 | -1.7 | 112.1 | E591 F592 E593 K616 | R545-E591 VanDerWaalsContact CD-OE2 3.27Å; R545-E591 WeakPolarHBondContact CD-OE2 3.44Å; R545-E591 IonicContact CZ-OE2 2.84Å; R545-E591 VanDerWaalsContact CZ-OE2 3.32Å; R545-E591 IonicContact NE-OE2 2.91Å; R545-E591 IonicContact NH1-OE1 2.72Å; R545-E591 IonicContact NH1-OE2 3.07Å; R545-E591 PolarHBondContact NH1-OE2 3.29Å; R545-F592 WeakPolarHBondContact CA-O 3.38Å; R545-E593 IonicContact CZ-OE2 3.87Å; R545-E593 IonicContact NE-OE2 3.32Å; R545-E593 PolarHBondContact NE-OE2 3.23Å; R545-E593 IonicContact NH2-OE2 3.4Å; R545-E593 PolarHBondContact NH2-OE2 2.91Å; R545-K616 WeakPolarHBondContact O-CE 3.28Å; R545-K616 PolarHBondContact O-NZ 3.34Å |
| 546 | I | 92.9 | Very high | 85.3 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.4 | 171.1 | -177.6 | 167.5 | 0 | 0 | 0 | 108.7 | F592 I594 K616 I619 | I546-F592 HydrophobicContact CG2-CB 3.96Å; I546-F592 PolarHBondContact N-O 2.77Å; I546-F592 VanDerWaalsContact N-O 3.14Å; I546-F592 PolarHBondContact O-N 3.33Å; I546-I594 HydrophobicContact CG2-CD1 4.04Å; I546-K616 HydrophobicContact CB-CG 4.37Å; I546-K616 HydrophobicContact CD1-CB 4.44Å; I546-I619 HydrophobicContact CD1-CB 4.33Å; I546-I619 HydrophobicContact CD1-CG2 3.99Å; I546-I619 HydrophobicContact CG2-CB 4.48Å; I546-I619 HydrophobicContact CG2-CD1 4.11Å; I546-I619 HydrophobicContact CG2-CG2 3.98Å |
| 547 | S | 91.3 | Very high | 87.3 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 140.7 | 175.8 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | W677 W679 | S547-W677 PolarHBondContact N-O 3.22Å; S547-W679 VanDerWaalsContact O-CD1 3.26Å; S547-W679 PolarHBondContact O-NE1 3.46Å |
| 548 | V | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136 | -175 | 170.4 | 0 | 0 | 0 | 0 | 109.1 | Q550 M552 V553 I556 T589 S590 F592 I619 V623 | V548-Q550 PolarHBondContact O-N 3.17Å; V548-M552 HydrophobicContact CG1-CB 4.01Å; V548-V553 HydrophobicContact CG1-CG2 4.2Å; V548-I556 HydrophobicContact CB-CD1 4.4Å; V548-I556 HydrophobicContact CG1-CD1 3.53Å; V548-I556 HydrophobicContact CG2-CD1 3.93Å; V548-T589 CarbonylContact O-C 3.56Å; V548-T589 WeakPolarHBondContact O-CA 3.48Å; V548-S590 PolarHBondContact N-O 3.31Å; V548-S590 PolarHBondContact O-N 3.03Å; V548-F592 HydrophobicContact CB-CD2 4Å; V548-F592 HydrophobicContact CB-CE2 3.87Å; V548-F592 HydrophobicContact CG1-CE2 4.06Å; V548-F592 HydrophobicContact CG2-CD2 3.64Å; V548-F592 HydrophobicContact CG2-CE2 3.83Å; V548-I619 HydrophobicContact CG2-CG2 3.93Å; V548-V623 HydrophobicContact CG1-CG2 4.09Å; V548-V623 HydrophobicContact CG2-CG2 4.01Å |
| 549 | P | 87.4 | Confident | 89.1 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 135.3 | 173 | -25.2 | 35.4 | 0 | 0 | 0 | 112.5 | E551 M552 V553 | P549-E551 VanDerWaalsContact C-N 3.25Å; P549-E551 VanDerWaalsContact C-OE2 3.29Å; P549-E551 VanDerWaalsContact CB-CD 3.49Å; P549-E551 VanDerWaalsContact CB-OE1 3.24Å; P549-E551 WeakPolarHBondContact CB-OE1 3.43Å; P549-E551 WeakPolarHBondContact CB-OE2 3.49Å; P549-E551 PolarHBondContact O-N 2.93Å; P549-M552 HydrophobicContact CB-CG 4.28Å; P549-M552 WeakPolarHBondContact O-CA 3.47Å; P549-M552 WeakPolarHBondContact O-CB 3.02Å; P549-M552 PolarHBondContact O-N 3.47Å; P549-V553 PolarHBondContact O-N 3.49Å |
| 550 | Q | 85.5 | Confident | 89.1 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -34.1 | -168.4 | -176.9 | 66.6 | 0.1 | 0 | 0 | 113.1 | V548 M552 V553 A588 S590 | V548-Q550 PolarHBondContact O-N 3.17Å; Q550-M552 PolarHBondContact O-N 3.21Å; Q550-V553 WeakPolarHBondContact O-CB 3.31Å; Q550-V553 PolarHBondContact O-N 2.93Å; Q550-A588 HydrophobicContact CB-CB 3.87Å; Q550-A588 WeakPolarHBondContact CB-O 3.27Å; Q550-A588 PolarHBondContact N-O 3.11Å; Q550-S590 PolarHBondContact OE1-OG 3.15Å |
| 551 | E | 83.8 | Confident | 89.1 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 43% | 0.425 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.1 | -19.5 | 175.6 | 79.6 | -69.6 | 176.1 | 0 | 0 | 113.5 | P549 | P549-E551 VanDerWaalsContact C-N 3.25Å; P549-E551 VanDerWaalsContact C-OE2 3.29Å; P549-E551 VanDerWaalsContact CB-CD 3.49Å; P549-E551 VanDerWaalsContact CB-OE1 3.24Å; P549-E551 WeakPolarHBondContact CB-OE1 3.43Å; P549-E551 WeakPolarHBondContact CB-OE2 3.49Å; P549-E551 PolarHBondContact O-N 2.93Å |
| 552 | M | 87.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -94.2 | -16.7 | 177.1 | -55.5 | -153.6 | -178.8 | 0 | 0 | 113.4 | V548 P549 Q550 G554 K555 I556 V623 Q626 L627 | V548-M552 HydrophobicContact CG1-CB 4.01Å; P549-M552 HydrophobicContact CB-CG 4.28Å; P549-M552 WeakPolarHBondContact O-CA 3.47Å; P549-M552 WeakPolarHBondContact O-CB 3.02Å; P549-M552 PolarHBondContact O-N 3.47Å; Q550-M552 PolarHBondContact O-N 3.21Å; M552-G554 VanDerWaalsContact C-N 3.29Å; M552-G554 PolarHBondContact O-N 3.36Å; M552-K555 WeakPolarHBondContact O-CA 3.26Å; M552-K555 WeakPolarHBondContact O-CB 3.36Å; M552-K555 PolarHBondContact O-N 3.07Å; M552-I556 WeakPolarHBondContact O-CG1 3.41Å; M552-I556 PolarHBondContact O-N 3.04Å; M552-V623 HydrophobicContact SD-CG1 4.15Å; M552-Q626 HydrophobicContact CE-CB 4.42Å; M552-Q626 HydrophobicContact SD-CB 3.8Å; M552-L627 HydrophobicContact CE-CD2 3.44Å; M552-L627 VanDerWaalsContact CE-CD2 3.44Å; M552-L627 HydrophobicContact CE-CG 3.64Å; M552-L627 HydrophobicContact SD-CD2 4.46Å; M552-L627 HydrophobicContact SD-CG 4.15Å |
| 553 | V | 89.7 | Confident | 89.2 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.9 | -46.4 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | V548 P549 Q550 K555 I556 I557 P578 S590 F592 | V548-V553 HydrophobicContact CG1-CG2 4.2Å; P549-V553 PolarHBondContact O-N 3.49Å; Q550-V553 WeakPolarHBondContact O-CB 3.31Å; Q550-V553 PolarHBondContact O-N 2.93Å; V553-K555 VanDerWaalsContact C-N 3.33Å; V553-K555 PolarHBondContact O-N 3.47Å; V553-I556 PolarHBondContact O-N 2.9Å; V553-I557 HydrophobicContact CG1-CD1 3.73Å; V553-I557 HydrophobicContact CG1-CG1 4.41Å; V553-I557 WeakPolarHBondContact O-CG1 3.09Å; V553-I557 PolarHBondContact O-N 3.06Å; V553-P578 HydrophobicContact CG1-CG 4.28Å; V553-S590 VanDerWaalsContact CG2-CB 3.4Å; V553-F592 HydrophobicContact CB-CE2 4.47Å; V553-F592 HydrophobicContact CB-CZ 4.42Å; V553-F592 HydrophobicContact CG1-CE2 4.29Å; V553-F592 HydrophobicContact CG1-CZ 3.92Å; V553-F592 HydrophobicContact CG2-CE2 4.09Å |
| 554 | G | 87.8 | Confident | 89.2 | Confident | 52 Ų | 52 | 46.7 Ų | 46.7 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M552 I556 G558 | M552-G554 VanDerWaalsContact C-N 3.29Å; M552-G554 PolarHBondContact O-N 3.36Å; G554-I556 VanDerWaalsContact C-N 3.32Å; G554-I556 PolarHBondContact O-N 3.43Å; G554-G558 PolarHBondContact O-N 3.08Å |
| 555 | K | 88.3 | Confident | 89.2 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.4 | -26 | 176.9 | -54.4 | -166 | -177 | -178.3 | 0 | 112.8 | M552 V553 Q626 | M552-K555 WeakPolarHBondContact O-CA 3.26Å; M552-K555 WeakPolarHBondContact O-CB 3.36Å; M552-K555 PolarHBondContact O-N 3.07Å; V553-K555 VanDerWaalsContact C-N 3.33Å; V553-K555 PolarHBondContact O-N 3.47Å; K555-Q626 HydrophobicContact CB-CG 4.29Å; K555-Q626 HydrophobicContact CD-CB 4.09Å; K555-Q626 HydrophobicContact CD-CG 3.78Å; K555-Q626 VanDerWaalsContact CD-OE1 3.23Å; K555-Q626 VanDerWaalsContact NZ-OE1 3.12Å |
| 556 | I | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -88 | -37 | 178.6 | -64.3 | -179.3 | 0 | 0 | 0 | 112.5 | V548 M552 V553 G554 G558 I563 I564 F592 I619 L622 V623 | V548-I556 HydrophobicContact CB-CD1 4.4Å; V548-I556 HydrophobicContact CG1-CD1 3.53Å; V548-I556 HydrophobicContact CG2-CD1 3.93Å; M552-I556 WeakPolarHBondContact O-CG1 3.41Å; M552-I556 PolarHBondContact O-N 3.04Å; V553-I556 PolarHBondContact O-N 2.9Å; G554-I556 VanDerWaalsContact C-N 3.32Å; G554-I556 PolarHBondContact O-N 3.43Å; I556-G558 VanDerWaalsContact C-N 3.33Å; I556-I563 WeakPolarHBondContact O-CB 3.48Å; I556-I563 WeakPolarHBondContact O-CG2 3.23Å; I556-I564 PolarHBondContact O-N 2.92Å; I556-F592 HydrophobicContact CB-CZ 4.11Å; I556-F592 HydrophobicContact CG2-CE1 4.17Å; I556-F592 HydrophobicContact CG2-CE2 4.4Å; I556-F592 HydrophobicContact CG2-CZ 3.89Å; I556-I619 HydrophobicContact CD1-CG2 3.93Å; I556-I619 HydrophobicContact CG2-CG1 4.31Å; I556-I619 HydrophobicContact CG2-CG2 4.26Å; I556-L622 HydrophobicContact CB-CD2 4.26Å; I556-L622 HydrophobicContact CG1-CD2 3.96Å; I556-L622 HydrophobicContact CG1-CG 4.07Å; I556-L622 HydrophobicContact CG2-CD2 4.41Å; I556-V623 HydrophobicContact CD1-CG2 3.49Å; I556-V623 VanDerWaalsContact CD1-CG2 3.49Å |
| 557 | I | 90.5 | Very high | 89.2 | Confident | 43 Ų | 43 | 48.2 Ų | 48.2 | 22% | 0.221 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 169.6 | -67.1 | 172.5 | 0 | 0 | 0 | 109 | V553 G561 S562 I563 I564 F592 | V553-I557 HydrophobicContact CG1-CD1 3.73Å; V553-I557 HydrophobicContact CG1-CG1 4.41Å; V553-I557 WeakPolarHBondContact O-CG1 3.09Å; V553-I557 PolarHBondContact O-N 3.06Å; I557-G561 CarbonylContact O-C 3.57Å; I557-G561 WeakPolarHBondContact O-CA 3.39Å; I557-S562 PolarHBondContact O-N 3.35Å; I557-I563 PolarHBondContact O-N 2.96Å; I557-I564 HydrophobicContact CG2-CG2 4.28Å; I557-I564 PolarHBondContact O-N 3.32Å; I557-F592 HydrophobicContact CG1-CE1 4.08Å; I557-F592 HydrophobicContact CG1-CZ 4.2Å |
| 558 | G | 87.8 | Confident | 89.3 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | trans | 76.4 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G554 I556 Q560 G561 | G554-G558 PolarHBondContact O-N 3.08Å; I556-G558 VanDerWaalsContact C-N 3.33Å; G558-Q560 PolarHBondContact O-N 2.71Å; G558-Q560 VanDerWaalsContact O-N 3.16Å; G558-G561 PolarHBondContact O-N 3.06Å; G558-G561 VanDerWaalsContact O-N 3.09Å | ||
| 559 | T | 86.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 73% | 0.73 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -56.4 | 121.6 | 176.8 | 44.1 | 0 | 0 | 0 | 0 | 110.2 | G561 S562 | T559-G561 PolarHBondContact O-N 3.21Å; T559-S562 WeakPolarHBondContact O-CB 3.46Å; T559-S562 PolarHBondContact O-N 3.07Å; T559-S562 PolarHBondContact O-OG 3.02Å; T559-S562 PolarHBondContact OG1-OG 3.48Å |
| 560 | Q | 83.4 | Confident | 89.5 | Confident | 211 Ų | 211 | 61.3 Ų | 61.3 | 99% | 0.986 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | 51.5 | 25.6 | -176.6 | -60.2 | -179 | -12.7 | 0 | 0 | 115.3 | G558 S562 | G558-Q560 PolarHBondContact O-N 2.71Å; G558-Q560 VanDerWaalsContact O-N 3.16Å; Q560-S562 VanDerWaalsContact C-N 3.33Å |
| 561 | G | 88 | Confident | 89.7 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | 78.9 | 12.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I557 G558 T559 I563 I564 T565 | I557-G561 CarbonylContact O-C 3.57Å; I557-G561 WeakPolarHBondContact O-CA 3.39Å; G558-G561 PolarHBondContact O-N 3.06Å; G558-G561 VanDerWaalsContact O-N 3.09Å; T559-G561 PolarHBondContact O-N 3.21Å; G561-I563 VanDerWaalsContact C-N 3.32Å; G561-I563 PolarHBondContact O-N 3.13Å; G561-I564 WeakPolarHBondContact O-CG2 3.44Å; G561-I564 PolarHBondContact O-N 3.4Å; G561-T565 VanDerWaalsContact O-CB 3.23Å; G561-T565 WeakPolarHBondContact O-CB 3.43Å; G561-T565 PolarHBondContact O-N 3.44Å; G561-T565 PolarHBondContact O-OG1 3.14Å |
| 562 | S | 90.3 | Very high | 90 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.6 | -42.3 | -178.3 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | I557 T559 Q560 T566 | I557-S562 PolarHBondContact O-N 3.35Å; T559-S562 WeakPolarHBondContact O-CB 3.46Å; T559-S562 PolarHBondContact O-N 3.07Å; T559-S562 PolarHBondContact O-OG 3.02Å; T559-S562 PolarHBondContact OG1-OG 3.48Å; Q560-S562 VanDerWaalsContact C-N 3.33Å; S562-T566 WeakPolarHBondContact O-CB 3.35Å; S562-T566 PolarHBondContact O-N 3.32Å; S562-T566 VanDerWaalsContact O-N 3.1Å; S562-T566 PolarHBondContact O-OG1 3.17Å |
| 563 | I | 92.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 33% | 0.328 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74.7 | -48.9 | -177.7 | -62.2 | 174.2 | 0 | 0 | 0 | 110.2 | I556 I557 G561 T565 T566 I567 L622 | I556-I563 WeakPolarHBondContact O-CB 3.48Å; I556-I563 WeakPolarHBondContact O-CG2 3.23Å; I557-I563 PolarHBondContact O-N 2.96Å; G561-I563 VanDerWaalsContact C-N 3.32Å; G561-I563 PolarHBondContact O-N 3.13Å; I563-T565 VanDerWaalsContact C-N 3.31Å; I563-T565 PolarHBondContact O-N 2.84Å; I563-T566 WeakPolarHBondContact O-CA 3.46Å; I563-T566 WeakPolarHBondContact O-CB 3.45Å; I563-T566 PolarHBondContact O-N 3.07Å; I563-I567 HydrophobicContact CG2-CD1 4.15Å; I563-I567 WeakPolarHBondContact O-CG1 3.5Å; I563-I567 PolarHBondContact O-N 3.19Å; I563-L622 HydrophobicContact CG2-CD2 3.6Å |
| 564 | I | 92.6 | Very high | 90.4 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 179.8 | -165.8 | 64.4 | 0 | 0 | 0 | 112.1 | I556 I557 G561 T566 I567 Q568 I575 F592 I619 | I556-I564 PolarHBondContact O-N 2.92Å; I557-I564 HydrophobicContact CG2-CG2 4.28Å; I557-I564 PolarHBondContact O-N 3.32Å; G561-I564 WeakPolarHBondContact O-CG2 3.44Å; G561-I564 PolarHBondContact O-N 3.4Å; I564-T566 VanDerWaalsContact C-N 3.32Å; I564-T566 PolarHBondContact O-N 2.95Å; I564-I567 PolarHBondContact O-N 2.9Å; I564-Q568 VanDerWaalsContact O-CG 3.31Å; I564-Q568 WeakPolarHBondContact O-CG 3.31Å; I564-Q568 PolarHBondContact O-N 3.19Å; I564-I575 HydrophobicContact CD1-CB 3.99Å; I564-I575 HydrophobicContact CD1-CD1 3.92Å; I564-I575 HydrophobicContact CD1-CG2 3.78Å; I564-I575 HydrophobicContact CG1-CB 4.23Å; I564-I575 HydrophobicContact CG1-CG2 4.34Å; I564-F592 HydrophobicContact CD1-CD1 4.33Å; I564-F592 HydrophobicContact CD1-CE1 4.32Å; I564-I619 HydrophobicContact CD1-CD1 4.33Å |
| 565 | T | 92.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 56.3 Ų | 56.3 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 173.2 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | G561 I563 K569 | G561-T565 VanDerWaalsContact O-CB 3.23Å; G561-T565 WeakPolarHBondContact O-CB 3.43Å; G561-T565 PolarHBondContact O-N 3.44Å; G561-T565 PolarHBondContact O-OG1 3.14Å; I563-T565 VanDerWaalsContact C-N 3.31Å; I563-T565 PolarHBondContact O-N 2.84Å; T565-K569 WeakPolarHBondContact O-CB 3.4Å; T565-K569 PolarHBondContact O-N 3.04Å |
| 566 | T | 92.7 | Very high | 90.8 | Very high | 69 Ų | 69 | 59 Ų | 59 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 173.3 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | S562 I563 I564 Q568 K569 D570 | S562-T566 WeakPolarHBondContact O-CB 3.35Å; S562-T566 PolarHBondContact O-N 3.32Å; S562-T566 VanDerWaalsContact O-N 3.1Å; S562-T566 PolarHBondContact O-OG1 3.17Å; I563-T566 WeakPolarHBondContact O-CA 3.46Å; I563-T566 WeakPolarHBondContact O-CB 3.45Å; I563-T566 PolarHBondContact O-N 3.07Å; I564-T566 VanDerWaalsContact C-N 3.32Å; I564-T566 PolarHBondContact O-N 2.95Å; T566-Q568 PolarHBondContact O-N 3.42Å; T566-K569 PolarHBondContact O-N 2.95Å; T566-D570 WeakPolarHBondContact O-CB 3.28Å; T566-D570 PolarHBondContact O-N 3.13Å |
| 567 | I | 93.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.062 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.6 | -61.3 | 169.7 | 0 | 0 | 0 | 110.9 | I563 I564 T571 I575 A615 L618 I619 | I563-I567 HydrophobicContact CG2-CD1 4.15Å; I563-I567 WeakPolarHBondContact O-CG1 3.5Å; I563-I567 PolarHBondContact O-N 3.19Å; I564-I567 PolarHBondContact O-N 2.9Å; I567-T571 HydrophobicContact CG2-CG2 4.43Å; I567-T571 WeakPolarHBondContact O-CB 3.49Å; I567-T571 VanDerWaalsContact O-CG2 3.31Å; I567-T571 WeakPolarHBondContact O-CG2 3.28Å; I567-T571 PolarHBondContact O-N 3.12Å; I567-T571 VanDerWaalsContact O-N 3.16Å; I567-T571 PolarHBondContact O-OG1 2.98Å; I567-I575 HydrophobicContact CB-CD1 4.22Å; I567-I575 HydrophobicContact CG2-CD1 3.61Å; I567-A615 HydrophobicContact CG2-CB 4.27Å; I567-L618 HydrophobicContact CD1-CB 4.43Å; I567-L618 HydrophobicContact CG1-CB 4.31Å; I567-L618 HydrophobicContact CG2-CB 4.02Å; I567-L618 HydrophobicContact CG2-CD1 4.07Å; I567-I619 HydrophobicContact CD1-CG1 4.05Å |
| 568 | Q | 92.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.9 | -51 | 172.8 | -75.1 | 178.4 | 6.8 | 0 | 0 | 111.5 | I564 T566 T571 G572 T573 I575 | I564-Q568 VanDerWaalsContact O-CG 3.31Å; I564-Q568 WeakPolarHBondContact O-CG 3.31Å; I564-Q568 PolarHBondContact O-N 3.19Å; T566-Q568 PolarHBondContact O-N 3.42Å; Q568-T571 PolarHBondContact O-N 3.46Å; Q568-T571 PolarHBondContact O-OG1 3.41Å; Q568-G572 WeakPolarHBondContact O-CA 3.42Å; Q568-G572 PolarHBondContact O-N 3.44Å; Q568-T573 VanDerWaalsContact CA-O 3.23Å; Q568-T573 WeakPolarHBondContact CA-O 3.45Å; Q568-T573 WeakPolarHBondContact CB-O 3.28Å; Q568-T573 WeakPolarHBondContact CG-O 3.45Å; Q568-T573 PolarHBondContact O-N 3.19Å; Q568-I575 HydrophobicContact CG-CB 3.93Å; Q568-I575 HydrophobicContact CG-CD1 3.96Å; Q568-I575 HydrophobicContact CG-CG1 3.77Å; Q568-I575 PolarHBondContact NE2-O 3.45Å |
| 569 | K | 91.3 | Very high | 89.5 | Confident | 174 Ų | 174 | 63.9 Ų | 63.9 | 76% | 0.757 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | -178.9 | -176.8 | -179.4 | 178.6 | -179.1 | 0 | 113.2 | T565 T566 T571 | T565-K569 WeakPolarHBondContact O-CB 3.4Å; T565-K569 PolarHBondContact O-N 3.04Å; T566-K569 PolarHBondContact O-N 2.95Å; K569-T571 VanDerWaalsContact C-N 3.31Å; K569-T571 PolarHBondContact O-N 3.14Å |
| 570 | D | 90.9 | Very high | 88.5 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.4 | -29.1 | -175.9 | -71.1 | -8.3 | 0 | 0 | 0 | 112.2 | T566 R611 | T566-D570 WeakPolarHBondContact O-CB 3.28Å; T566-D570 PolarHBondContact O-N 3.13Å; D570-R611 PolarHBondContact O-NH1 3.02Å |
| 571 | T | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -96.2 | -21.2 | -179.4 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | I567 Q568 K569 T573 R611 Q614 A615 L618 | I567-T571 HydrophobicContact CG2-CG2 4.43Å; I567-T571 WeakPolarHBondContact O-CB 3.49Å; I567-T571 VanDerWaalsContact O-CG2 3.31Å; I567-T571 WeakPolarHBondContact O-CG2 3.28Å; I567-T571 PolarHBondContact O-N 3.12Å; I567-T571 VanDerWaalsContact O-N 3.16Å; I567-T571 PolarHBondContact O-OG1 2.98Å; Q568-T571 PolarHBondContact O-N 3.46Å; Q568-T571 PolarHBondContact O-OG1 3.41Å; K569-T571 VanDerWaalsContact C-N 3.31Å; K569-T571 PolarHBondContact O-N 3.14Å; T571-T573 VanDerWaalsContact C-N 3.32Å; T571-T573 PolarHBondContact OG1-N 3.23Å; T571-T573 PolarHBondContact OG1-OG1 2.96Å; T571-R611 WeakPolarHBondContact O-CB 3.32Å; T571-R611 WeakPolarHBondContact O-CD 3.44Å; T571-R611 VanDerWaalsContact O-CG 3.24Å; T571-R611 WeakPolarHBondContact O-CG 3.45Å; T571-R611 PolarHBondContact O-NE 3.31Å; T571-R611 PolarHBondContact O-NH1 3.24Å; T571-R611 VanDerWaalsContact O-NH1 3.16Å; T571-Q614 HydrophobicContact CG2-CB 4.14Å; T571-Q614 HydrophobicContact CG2-CG 3.89Å; T571-A615 HydrophobicContact CG2-CB 3.99Å; T571-L618 HydrophobicContact CG2-CD1 3.67Å |
| 572 | G | 90.1 | Very high | 85.6 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 19% | 0.186 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 29 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q568 | Q568-G572 WeakPolarHBondContact O-CA 3.42Å; Q568-G572 PolarHBondContact O-N 3.44Å |
| 573 | T | 92.5 | Very high | 84 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.049 | 37% | 0.367 | C | S | . | . | trans | -110.2 | 154.5 | 176.1 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | Q568 T571 I575 I594 S595 A596 R611 A615 | Q568-T573 VanDerWaalsContact CA-O 3.23Å; Q568-T573 WeakPolarHBondContact CA-O 3.45Å; Q568-T573 WeakPolarHBondContact CB-O 3.28Å; Q568-T573 WeakPolarHBondContact CG-O 3.45Å; Q568-T573 PolarHBondContact O-N 3.19Å; T571-T573 VanDerWaalsContact C-N 3.32Å; T571-T573 PolarHBondContact OG1-N 3.23Å; T571-T573 PolarHBondContact OG1-OG1 2.96Å; T573-I575 WeakPolarHBondContact OG1-CG1 3.44Å; T573-I594 HydrophobicContact CG2-CG2 4.05Å; T573-S595 WeakPolarHBondContact CA-O 3.43Å; T573-A596 HydrophobicContact CG2-CB 4.3Å; T573-R611 HydrophobicContact CG2-CB 3.75Å; T573-A615 HydrophobicContact CG2-CB 4.28Å | ||
| 574 | E | 92.2 | Very high | 82.3 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 126.7 | 167.3 | -168 | 177.5 | 141.4 | 0 | 0 | 107.8 | R538 S595 Y597 | R538-E574 IonicContact CZ-OE2 3.68Å; R538-E574 IonicContact NE-OE2 3.97Å; R538-E574 IonicContact NH2-OE2 2.65Å; R538-E574 PolarHBondContact NH2-OE2 3.28Å; E574-S595 PolarHBondContact N-O 2.94Å; E574-S595 PolarHBondContact O-N 3.44Å; E574-Y597 HydrophobicContact CB-CD2 4.29Å; E574-Y597 HydrophobicContact CB-CE2 3.83Å; E574-Y597 HydrophobicContact CG-CE2 4.46Å; E574-Y597 VanDerWaalsContact OE2-CE2 3.23Å; E574-Y597 WeakPolarHBondContact OE2-CE2 3.1Å |
| 575 | I | 93.7 | Very high | 81 | Confident | 6 Ų | 6 | 80.8 Ų | 80.8 | 3% | 0.031 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 106.7 | -174.9 | -49.1 | 169 | 0 | 0 | 0 | 109.1 | I564 I567 Q568 T573 S577 F592 E593 I594 A615 I619 | I564-I575 HydrophobicContact CD1-CB 3.99Å; I564-I575 HydrophobicContact CD1-CD1 3.92Å; I564-I575 HydrophobicContact CD1-CG2 3.78Å; I564-I575 HydrophobicContact CG1-CB 4.23Å; I564-I575 HydrophobicContact CG1-CG2 4.34Å; I567-I575 HydrophobicContact CB-CD1 4.22Å; I567-I575 HydrophobicContact CG2-CD1 3.61Å; Q568-I575 HydrophobicContact CG-CB 3.93Å; Q568-I575 HydrophobicContact CG-CD1 3.96Å; Q568-I575 HydrophobicContact CG-CG1 3.77Å; Q568-I575 PolarHBondContact NE2-O 3.45Å; T573-I575 WeakPolarHBondContact OG1-CG1 3.44Å; I575-S577 PolarHBondContact O-N 2.88Å; I575-F592 HydrophobicContact CG2-CB 4.42Å; I575-F592 HydrophobicContact CG2-CD1 4.27Å; I575-E593 CarbonylContact C-O 3.54Å; I575-E593 WeakPolarHBondContact CA-O 3.34Å; I575-I594 HydrophobicContact CG1-CB 4.46Å; I575-I594 HydrophobicContact CG1-CG1 4.13Å; I575-I594 HydrophobicContact CG1-CG2 4.2Å; I575-I594 HydrophobicContact CG2-CG1 3.87Å; I575-A615 HydrophobicContact CD1-CB 4.05Å; I575-I619 HydrophobicContact CD1-CD1 4.35Å; I575-I619 HydrophobicContact CG2-CD1 4.32Å |
| 576 | K | 91.6 | Very high | 79.4 | Confident | 142 Ų | 142 | 83 Ų | 83 | 62% | 0.617 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 114.8 | 176.3 | -176.9 | 177.2 | -179 | -179.3 | 0 | 108.7 | E593 | K576-E593 HydrophobicContact CB-CB 4.32Å; K576-E593 PolarHBondContact N-O 2.91Å; K576-E593 PolarHBondContact O-N 2.95Å |
| 577 | S | 86.1 | Confident | 78.2 | Confident | 53 Ų | 53 | 83.6 Ų | 83.6 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 149.5 | 170.9 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | I575 | I575-S577 PolarHBondContact O-N 2.88Š|
| 578 | P | 80.8 | Confident | 77.5 | Confident | 20 Ų | 20 | 83.4 Ų | 83.4 | 13% | 0.13 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 155.2 | 168.5 | 25 | -30.6 | 0 | 0 | 0 | 110.8 | V553 S590 E591 | V553-P578 HydrophobicContact CG1-CG 4.28Å; P578-S590 WeakPolarHBondContact CB-OG 3.29Å; P578-S590 WeakPolarHBondContact CG-OG 3.43Å; P578-E591 WeakPolarHBondContact CD-O 3.36Å |
| 579 | P | 74.4 | Confident | 77.1 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150.4 | 172.8 | 28.9 | -34.8 | 0 | 0 | 0 | 110.4 | E581 A582 | P579-E581 PolarHBondContact O-N 3.41Å; P579-A582 HydrophobicContact CG-CB 4.22Å |
| 580 | K | 65.9 | Low | 77 | Confident | 199 Ų | 199 | 76.2 Ų | 76.2 | 87% | 0.865 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -61.6 | -14.9 | 178.6 | -164.4 | 179.7 | 177.6 | -172.2 | 0 | 113.2 | ||
| 581 | E | 59.1 | Low | 76.8 | Confident | 180 Ų | 180 | 76.8 Ų | 76.8 | 84% | 0.841 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -123.9 | 75.3 | -173.5 | -68.4 | 167.5 | -156.7 | 0 | 0 | 110.8 | P579 | P579-E581 PolarHBondContact O-N 3.41Š|
| 582 | A | 51.7 | Low | 76.9 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -152.8 | 142.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P579 | P579-A582 HydrophobicContact CG-CB 4.22Š|
| 583 | V | 57 | Low | 77.1 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 56% | 0.564 | 41% | 0.405 | S | S | * | . | trans | 57.7 | 103.5 | 178.1 | -161 | 0 | 0 | 0 | 0 | 114.4 | A588 | V583-A588 HydrophobicContact CB-CB 4.07Å; V583-A588 HydrophobicContact CG1-CB 3.6Å; V583-A588 WeakPolarHBondContact O-CB 3.47Å | ||
| 584 | R | 56.5 | Low | 77.2 | Confident | 263 Ų | 263 | 76.8 Ų | 76.8 | 99% | 0.992 | 40% | 0.403 | S | S | * | . | trans | -112.4 | 105.4 | 176.1 | -156.7 | -179.9 | -160.1 | -170.7 | 5.9 | 109.9 | ||||
| 585 | G | 63.7 | Low | 77.3 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -179.7 | 165.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | N587 A588 | G585-N587 PolarHBondContact O-N 3.44Å; G585-A588 WeakPolarHBondContact O-CB 3.12Å; G585-A588 PolarHBondContact O-N 3.46Å |
| 586 | P | 60.3 | Low | 77.2 | Confident | 124 Ų | 124 | 73.2 Ų | 73.2 | 81% | 0.805 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -38.7 | -175.2 | 24.1 | -33 | 0 | 0 | 0 | 113.1 | A588 | P586-A588 VanDerWaalsContact C-N 3.34Å; P586-A588 PolarHBondContact O-N 2.85Å |
| 587 | N | 67.5 | Low | 77 | Confident | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 32.2 | 177.5 | -57.9 | 40.1 | 0 | 0 | 0 | 111.6 | G585 T589 D681 | G585-N587 PolarHBondContact O-N 3.44Å; N587-T589 PolarHBondContact O-N 3.18Å; N587-D681 PolarHBondContact ND2-OD1 3.14Å |
| 588 | A | 79.3 | Confident | 76.7 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | trans | -66.7 | 117.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q550 V583 G585 P586 | Q550-A588 HydrophobicContact CB-CB 3.87Å; Q550-A588 WeakPolarHBondContact CB-O 3.27Å; Q550-A588 PolarHBondContact N-O 3.11Å; V583-A588 HydrophobicContact CB-CB 4.07Å; V583-A588 HydrophobicContact CG1-CB 3.6Å; V583-A588 WeakPolarHBondContact O-CB 3.47Å; G585-A588 WeakPolarHBondContact O-CB 3.12Å; G585-A588 PolarHBondContact O-N 3.46Å; P586-A588 VanDerWaalsContact C-N 3.34Å; P586-A588 PolarHBondContact O-N 2.85Å | ||
| 589 | T | 84.1 | Confident | 76 | Confident | 74 Ų | 74 | 73.1 Ų | 73.1 | 45% | 0.454 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.9 | 171 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | V548 N587 | V548-T589 CarbonylContact O-C 3.56Å; V548-T589 WeakPolarHBondContact O-CA 3.48Å; N587-T589 PolarHBondContact O-N 3.18Å |
| 590 | S | 87.6 | Confident | 75.3 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 3% | 0.028 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.5 | -177 | -125.4 | 0 | 0 | 0 | 0 | 109.5 | V548 Q550 V553 P578 | V548-S590 PolarHBondContact N-O 3.31Å; V548-S590 PolarHBondContact O-N 3.03Å; Q550-S590 PolarHBondContact OE1-OG 3.15Å; V553-S590 VanDerWaalsContact CG2-CB 3.4Å; P578-S590 WeakPolarHBondContact CB-OG 3.29Å; P578-S590 WeakPolarHBondContact CG-OG 3.43Å |
| 591 | E | 88.4 | Confident | 75.1 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.2 | 178.8 | -66.9 | -166.9 | 146.8 | 0 | 0 | 111.6 | R545 P578 | R545-E591 VanDerWaalsContact CD-OE2 3.27Å; R545-E591 WeakPolarHBondContact CD-OE2 3.44Å; R545-E591 IonicContact CZ-OE2 2.84Å; R545-E591 VanDerWaalsContact CZ-OE2 3.32Å; R545-E591 IonicContact NE-OE2 2.91Å; R545-E591 IonicContact NH1-OE1 2.72Å; R545-E591 IonicContact NH1-OE2 3.07Å; R545-E591 PolarHBondContact NH1-OE2 3.29Å; P578-E591 WeakPolarHBondContact CD-O 3.36Å |
| 592 | F | 93 | Very high | 75.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 134.3 | 162.5 | -74.4 | -98.7 | 0 | 0 | 0 | 110.1 | R545 I546 V548 V553 I556 I557 I564 I575 I619 | R545-F592 WeakPolarHBondContact CA-O 3.38Å; I546-F592 HydrophobicContact CG2-CB 3.96Å; I546-F592 PolarHBondContact N-O 2.77Å; I546-F592 VanDerWaalsContact N-O 3.14Å; I546-F592 PolarHBondContact O-N 3.33Å; V548-F592 HydrophobicContact CB-CD2 4Å; V548-F592 HydrophobicContact CB-CE2 3.87Å; V548-F592 HydrophobicContact CG1-CE2 4.06Å; V548-F592 HydrophobicContact CG2-CD2 3.64Å; V548-F592 HydrophobicContact CG2-CE2 3.83Å; V553-F592 HydrophobicContact CB-CE2 4.47Å; V553-F592 HydrophobicContact CB-CZ 4.42Å; V553-F592 HydrophobicContact CG1-CE2 4.29Å; V553-F592 HydrophobicContact CG1-CZ 3.92Å; V553-F592 HydrophobicContact CG2-CE2 4.09Å; I556-F592 HydrophobicContact CB-CZ 4.11Å; I556-F592 HydrophobicContact CG2-CE1 4.17Å; I556-F592 HydrophobicContact CG2-CE2 4.4Å; I556-F592 HydrophobicContact CG2-CZ 3.89Å; I557-F592 HydrophobicContact CG1-CE1 4.08Å; I557-F592 HydrophobicContact CG1-CZ 4.2Å; I564-F592 HydrophobicContact CD1-CD1 4.33Å; I564-F592 HydrophobicContact CD1-CE1 4.32Å; I575-F592 HydrophobicContact CG2-CB 4.42Å; I575-F592 HydrophobicContact CG2-CD1 4.27Å; F592-I619 HydrophobicContact CB-CD1 4.47Å |
| 593 | E | 93.7 | Very high | 76.2 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 13% | 0.126 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 113.2 | -178 | 178.9 | 171 | 107.8 | 0 | 0 | 110.9 | R543 R545 I575 K576 | R543-E593 IonicContact CZ-OE1 3.81Å; R543-E593 IonicContact CZ-OE2 3.09Å; R543-E593 VanDerWaalsContact NH1-CD 3.26Å; R543-E593 IonicContact NH1-OE1 2.81Å; R543-E593 PolarHBondContact NH1-OE1 2.62Å; R543-E593 IonicContact NH1-OE2 2.75Å; R543-E593 IonicContact NH2-OE1 2.62Å; R543-E593 PolarHBondContact NH2-OE1 3.47Å; R543-E593 IonicContact NH2-OE2 3.56Å; R543-E593 PolarHBondContact NH2-OE2 3.04Å; R545-E593 IonicContact CZ-OE2 3.87Å; R545-E593 IonicContact NE-OE2 3.32Å; R545-E593 PolarHBondContact NE-OE2 3.23Å; R545-E593 IonicContact NH2-OE2 3.4Å; R545-E593 PolarHBondContact NH2-OE2 2.91Å; I575-E593 CarbonylContact C-O 3.54Å; I575-E593 WeakPolarHBondContact CA-O 3.34Å; K576-E593 HydrophobicContact CB-CB 4.32Å; K576-E593 PolarHBondContact N-O 2.91Å; K576-E593 PolarHBondContact O-N 2.95Å |
| 594 | I | 94.8 | Very high | 77.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.9 | -174.5 | -55.6 | 160.6 | 0 | 0 | 0 | 108.4 | R543 G544 I546 T573 I575 V612 A615 K616 I619 | R543-I594 CarbonylContact C-O 3.17Å; R543-I594 VanDerWaalsContact CA-O 3.29Å; R543-I594 WeakPolarHBondContact CA-O 3.19Å; G544-I594 PolarHBondContact N-O 3.5Å; G544-I594 WeakPolarHBondContact O-CB 3.14Å; G544-I594 PolarHBondContact O-N 3.5Å; I546-I594 HydrophobicContact CG2-CD1 4.04Å; T573-I594 HydrophobicContact CG2-CG2 4.05Å; I575-I594 HydrophobicContact CG1-CB 4.46Å; I575-I594 HydrophobicContact CG1-CG1 4.13Å; I575-I594 HydrophobicContact CG1-CG2 4.2Å; I575-I594 HydrophobicContact CG2-CG1 3.87Å; I594-V612 HydrophobicContact CB-CG1 4.26Å; I594-V612 HydrophobicContact CG2-CB 4.22Å; I594-V612 HydrophobicContact CG2-CG1 3.96Å; I594-V612 HydrophobicContact CG2-CG2 4.14Å; I594-A615 HydrophobicContact CD1-CB 4.15Å; I594-A615 HydrophobicContact CG2-CB 3.77Å; I594-K616 HydrophobicContact CD1-CB 4.33Å; I594-K616 HydrophobicContact CD1-CG 3.46Å; I594-K616 VanDerWaalsContact CD1-CG 3.46Å; I594-I619 HydrophobicContact CD1-CD1 4.14Å; I594-I619 HydrophobicContact CG1-CD1 4.42Å |
| 595 | S | 93.3 | Very high | 78.5 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.1 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | R543 T573 E574 | R543-S595 PolarHBondContact NH1-OG 3.45Å; T573-S595 WeakPolarHBondContact CA-O 3.43Å; E574-S595 PolarHBondContact N-O 2.94Å; E574-S595 PolarHBondContact O-N 3.44Å |
| 596 | A | 92.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L541 A542 T573 L602 A608 V612 | L541-A596 PolarHBondContact N-O 3.07Å; A542-A596 HydrophobicContact CB-CB 4.41Å; A542-A596 PolarHBondContact N-O 3.23Å; A542-A596 PolarHBondContact O-N 2.95Å; T573-A596 HydrophobicContact CG2-CB 4.3Å; A596-L602 HydrophobicContact CB-CD1 4.25Å; A596-A608 HydrophobicContact CB-CB 3.85Å; A596-V612 HydrophobicContact CB-CG2 3.74Å |
| 597 | Y | 88.6 | Confident | 80.7 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 151 | -172.5 | -66.3 | -85.5 | 0 | 0 | 0 | 112.5 | R538 V539 L540 E574 G599 | R538-Y597 HydrophobicContact CB-CD1 3.55Å; R538-Y597 HydrophobicContact CB-CE1 4.22Å; R538-Y597 HydrophobicContact CB-CG 3.88Å; R538-Y597 WeakPolarHBondContact O-CD1 3.46Å; V539-Y597 CarbonylContact O-C 3.59Å; V539-Y597 VanDerWaalsContact O-CA 3.3Å; V539-Y597 WeakPolarHBondContact O-CA 3.19Å; L540-Y597 HydrophobicContact CB-CD1 4Å; L540-Y597 HydrophobicContact CB-CE1 3.87Å; L540-Y597 HydrophobicContact CD1-CE1 4.09Å; L540-Y597 HydrophobicContact CG-CE1 4.38Å; E574-Y597 HydrophobicContact CB-CD2 4.29Å; E574-Y597 HydrophobicContact CB-CE2 3.83Å; E574-Y597 HydrophobicContact CG-CE2 4.46Å; E574-Y597 VanDerWaalsContact OE2-CE2 3.23Å; E574-Y597 WeakPolarHBondContact OE2-CE2 3.1Å; Y597-G599 PolarHBondContact O-N 3.26Å; Y597-G599 VanDerWaalsContact O-N 3.13Å |
| 598 | Q | 78.7 | Confident | 81.8 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 105.1 | 168.9 | -155.3 | 171.1 | 23.4 | 0 | 0 | 108.4 | V539 L541 | V539-Q598 HydrophobicContact CB-CB 3.93Å; V539-Q598 PolarHBondContact O-N 2.78Å; L541-Q598 HydrophobicContact CD1-CB 3.83Å; L541-Q598 HydrophobicContact CD1-CG 4.12Å; L541-Q598 HydrophobicContact CD2-CB 3.99Å; L541-Q598 HydrophobicContact CD2-CG 4.23Å; L541-Q598 HydrophobicContact CG-CB 3.83Å; L541-Q598 HydrophobicContact CG-CG 4.42Å |
| 599 | G | 67 | Low | 82.2 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 63% | 0.629 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.1 | -18.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y597 | Y597-G599 PolarHBondContact O-N 3.26Å; Y597-G599 VanDerWaalsContact O-N 3.13Å |
| 600 | L | 59.7 | Low | 82.5 | Confident | 124 Ų | 124 | 55.1 Ų | 55.1 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -124.5 | 65.7 | -179.5 | -67.1 | 176.4 | 0 | 0 | 0 | 112.3 | L602 | L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 2.72Å |
| 601 | G | 61.4 | Low | 82.7 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 69.9 | 19.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 602 | L | 66.6 | Low | 82.9 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | trans | -108 | 112.7 | 179.1 | -58.7 | 175.5 | 0 | 0 | 0 | 110 | L541 A596 L600 A607 A608 R611 | L541-L602 HydrophobicContact CD1-CB 4Å; A596-L602 HydrophobicContact CB-CD1 4.25Å; L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 2.72Å; L602-A607 HydrophobicContact CD2-CB 3.9Å; L602-A608 HydrophobicContact CD1-CB 4.11Å; L602-R611 HydrophobicContact CD1-CG 4.14Å; L602-R611 HydrophobicContact CD2-CG 3.76Å | ||
| 603 | S | 67.2 | Low | 83 | Confident | 114 Ų | 114 | 58.9 Ų | 58.9 | 80% | 0.797 | 35% | 0.349 | S | S | * | . | trans | -103 | -9.8 | 179.4 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 604 | S | 79 | Confident | 83 | Confident | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -139.4 | 152.4 | -178.6 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | Q606 A607 A608 | S604-Q606 VanDerWaalsContact C-N 3.29Å; S604-Q606 PolarHBondContact O-N 3.26Å; S604-A607 WeakPolarHBondContact O-CB 3.09Å; S604-A607 PolarHBondContact O-N 3.07Å; S604-A607 VanDerWaalsContact O-N 3.14Å; S604-A607 WeakPolarHBondContact OG-CB 3.43Å; S604-A607 PolarHBondContact OG-N 2.8Å; S604-A608 PolarHBondContact O-N 3.46Å |
| 605 | N | 82.6 | Confident | 82.9 | Confident | 98 Ų | 98 | 61 Ų | 61 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 177.3 | -62.7 | -8.8 | 0 | 0 | 0 | 111.2 | A607 A608 E609 | N605-A607 VanDerWaalsContact C-N 3.29Å; N605-A607 PolarHBondContact O-N 3.31Å; N605-A608 CarbonylContact O-C 3.53Å; N605-A608 WeakPolarHBondContact O-CA 3.41Å; N605-A608 WeakPolarHBondContact O-CB 3.46Å; N605-A608 PolarHBondContact O-N 3.38Å; N605-E609 WeakPolarHBondContact O-CG 3.34Å; N605-E609 PolarHBondContact O-N 2.88Å |
| 606 | Q | 85 | Confident | 83 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 176.8 | -168.3 | -177.2 | 25.5 | 0 | 0 | 112.6 | S604 C610 | S604-Q606 VanDerWaalsContact C-N 3.29Å; S604-Q606 PolarHBondContact O-N 3.26Å; Q606-C610 VanDerWaalsContact O-CB 3.31Å; Q606-C610 WeakPolarHBondContact O-CB 3.31Å; Q606-C610 PolarHBondContact O-N 3.33Å |
| 607 | A | 85.2 | Confident | 83.1 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 28% | 0.281 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L602 S604 N605 C610 R611 | L602-A607 HydrophobicContact CD2-CB 3.9Å; S604-A607 WeakPolarHBondContact O-CB 3.09Å; S604-A607 PolarHBondContact O-N 3.07Å; S604-A607 VanDerWaalsContact O-N 3.14Å; S604-A607 WeakPolarHBondContact OG-CB 3.43Å; S604-A607 PolarHBondContact OG-N 2.8Å; N605-A607 VanDerWaalsContact C-N 3.29Å; N605-A607 PolarHBondContact O-N 3.31Å; A607-C610 WeakPolarHBondContact O-CB 3.27Å; A607-C610 PolarHBondContact O-N 3.02Å; A607-R611 WeakPolarHBondContact O-CG 3.46Å; A607-R611 PolarHBondContact O-N 3.26Å; A607-R611 VanDerWaalsContact O-N 3.12Å |
| 608 | A | 89.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L541 A542 A596 L602 S604 N605 C610 R611 V612 | L541-A608 HydrophobicContact CB-CB 3.41Å; L541-A608 VanDerWaalsContact CB-CB 3.41Å; L541-A608 HydrophobicContact CD1-CB 4.01Å; L541-A608 HydrophobicContact CG-CB 4.39Å; A542-A608 HydrophobicContact CB-CB 3.72Å; A596-A608 HydrophobicContact CB-CB 3.85Å; L602-A608 HydrophobicContact CD1-CB 4.11Å; S604-A608 PolarHBondContact O-N 3.46Å; N605-A608 CarbonylContact O-C 3.53Å; N605-A608 WeakPolarHBondContact O-CA 3.41Å; N605-A608 WeakPolarHBondContact O-CB 3.46Å; N605-A608 PolarHBondContact O-N 3.38Å; A608-C610 VanDerWaalsContact C-N 3.3Å; A608-C610 PolarHBondContact O-N 3.39Å; A608-R611 PolarHBondContact O-N 3.02Å; A608-R611 VanDerWaalsContact O-N 3.14Å; A608-V612 WeakPolarHBondContact O-CG2 3.42Å; A608-V612 PolarHBondContact O-N 2.68Å |
| 609 | E | 89.6 | Confident | 84.1 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.2 | -42.2 | 171.9 | -71.7 | 176.6 | 161.6 | 0 | 0 | 111.4 | A542 N605 R611 V612 Q613 | A542-E609 HydrophobicContact CB-CB 4.46Å; A542-E609 HydrophobicContact CB-CG 3.86Å; N605-E609 WeakPolarHBondContact O-CG 3.34Å; N605-E609 PolarHBondContact O-N 2.88Å; E609-R611 VanDerWaalsContact C-N 3.33Å; E609-R611 PolarHBondContact O-N 3.16Å; E609-V612 PolarHBondContact O-N 3.31Å; E609-Q613 WeakPolarHBondContact O-CB 3.45Å; E609-Q613 PolarHBondContact O-N 3.44Å |
| 610 | C | 89.4 | Confident | 85.4 | Confident | 83 Ų | 83 | 59 Ų | 59 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.9 | -42.1 | 174.7 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | Q606 A607 A608 Q613 Q614 | Q606-C610 VanDerWaalsContact O-CB 3.31Å; Q606-C610 WeakPolarHBondContact O-CB 3.31Å; Q606-C610 PolarHBondContact O-N 3.33Å; A607-C610 WeakPolarHBondContact O-CB 3.27Å; A607-C610 PolarHBondContact O-N 3.02Å; A608-C610 VanDerWaalsContact C-N 3.3Å; A608-C610 PolarHBondContact O-N 3.39Å; C610-Q613 PolarHBondContact O-N 2.86Å; C610-Q614 WeakPolarHBondContact O-CB 3.04Å; C610-Q614 PolarHBondContact O-N 2.82Å |
| 611 | R | 91.6 | Very high | 86.9 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 173.9 | -62.4 | -43.6 | -156.9 | 128.1 | 15.3 | 113.1 | D570 T571 T573 L602 A607 A608 E609 Q613 Q614 A615 | D570-R611 PolarHBondContact O-NH1 3.02Å; T571-R611 WeakPolarHBondContact O-CB 3.32Å; T571-R611 WeakPolarHBondContact O-CD 3.44Å; T571-R611 VanDerWaalsContact O-CG 3.24Å; T571-R611 WeakPolarHBondContact O-CG 3.45Å; T571-R611 PolarHBondContact O-NE 3.31Å; T571-R611 PolarHBondContact O-NH1 3.24Å; T571-R611 VanDerWaalsContact O-NH1 3.16Å; T573-R611 HydrophobicContact CG2-CB 3.75Å; L602-R611 HydrophobicContact CD1-CG 4.14Å; L602-R611 HydrophobicContact CD2-CG 3.76Å; A607-R611 WeakPolarHBondContact O-CG 3.46Å; A607-R611 PolarHBondContact O-N 3.26Å; A607-R611 VanDerWaalsContact O-N 3.12Å; A608-R611 PolarHBondContact O-N 3.02Å; A608-R611 VanDerWaalsContact O-N 3.14Å; E609-R611 VanDerWaalsContact C-N 3.33Å; E609-R611 PolarHBondContact O-N 3.16Å; R611-Q613 VanDerWaalsContact C-N 3.32Å; R611-Q613 PolarHBondContact O-N 3.46Å; R611-Q614 VanDerWaalsContact NH1-OE1 3.07Å; R611-Q614 WeakPolarHBondContact O-CB 3.49Å; R611-Q614 PolarHBondContact O-N 3.43Å; R611-A615 PolarHBondContact O-N 3.42Å |
| 612 | V | 93.9 | Very high | 88.3 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | A542 I594 A596 A608 E609 A615 K616 | A542-V612 HydrophobicContact CB-CG2 3.87Å; I594-V612 HydrophobicContact CB-CG1 4.26Å; I594-V612 HydrophobicContact CG2-CB 4.22Å; I594-V612 HydrophobicContact CG2-CG1 3.96Å; I594-V612 HydrophobicContact CG2-CG2 4.14Å; A596-V612 HydrophobicContact CB-CG2 3.74Å; A608-V612 WeakPolarHBondContact O-CG2 3.42Å; A608-V612 PolarHBondContact O-N 2.68Å; E609-V612 PolarHBondContact O-N 3.31Å; V612-A615 PolarHBondContact O-N 2.84Å; V612-K616 PolarHBondContact O-N 3.14Å |
| 613 | Q | 93.8 | Very high | 89.5 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 38% | 0.379 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.5 | -35 | 177.9 | -168.5 | 63.2 | 22.5 | 0 | 0 | 112.3 | E609 C610 R611 A615 K616 Q617 | E609-Q613 WeakPolarHBondContact O-CB 3.45Å; E609-Q613 PolarHBondContact O-N 3.44Å; C610-Q613 PolarHBondContact O-N 2.86Å; R611-Q613 VanDerWaalsContact C-N 3.32Å; R611-Q613 PolarHBondContact O-N 3.46Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 2.88Å; Q613-K616 PolarHBondContact O-N 2.99Å; Q613-Q617 PolarHBondContact O-N 3.36Å |
| 614 | Q | 93.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 49.7 Ų | 49.7 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 171.4 | -167.9 | -171.4 | 8.5 | 0 | 0 | 111.1 | T571 C610 R611 Q617 L618 | T571-Q614 HydrophobicContact CG2-CB 4.14Å; T571-Q614 HydrophobicContact CG2-CG 3.89Å; C610-Q614 WeakPolarHBondContact O-CB 3.04Å; C610-Q614 PolarHBondContact O-N 2.82Å; R611-Q614 VanDerWaalsContact NH1-OE1 3.07Å; R611-Q614 WeakPolarHBondContact O-CB 3.49Å; R611-Q614 PolarHBondContact O-N 3.43Å; Q614-Q617 PolarHBondContact O-N 3.33Å; Q614-L618 WeakPolarHBondContact O-CG 3.38Å; Q614-L618 PolarHBondContact O-N 3.23Å |
| 615 | A | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I567 T571 T573 I575 I594 R611 V612 Q613 Q617 L618 I619 | I567-A615 HydrophobicContact CG2-CB 4.27Å; T571-A615 HydrophobicContact CG2-CB 3.99Å; T573-A615 HydrophobicContact CG2-CB 4.28Å; I575-A615 HydrophobicContact CD1-CB 4.05Å; I594-A615 HydrophobicContact CD1-CB 4.15Å; I594-A615 HydrophobicContact CG2-CB 3.77Å; R611-A615 PolarHBondContact O-N 3.42Å; V612-A615 PolarHBondContact O-N 2.84Å; Q613-A615 VanDerWaalsContact C-N 3.34Å; Q613-A615 PolarHBondContact O-N 2.88Å; A615-Q617 VanDerWaalsContact C-N 3.3Å; A615-Q617 PolarHBondContact O-N 2.93Å; A615-L618 PolarHBondContact O-N 3.35Å; A615-I619 WeakPolarHBondContact O-CG1 3.42Å; A615-I619 PolarHBondContact O-N 3.05Å |
| 616 | K | 95 | Very high | 90.6 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 8% | 0.078 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | 171.8 | -74.5 | -169.3 | 179.7 | -162.1 | 0 | 112.1 | R545 I546 I594 V612 Q613 I619 G620 W677 | R545-K616 WeakPolarHBondContact O-CE 3.28Å; R545-K616 PolarHBondContact O-NZ 3.34Å; I546-K616 HydrophobicContact CB-CG 4.37Å; I546-K616 HydrophobicContact CD1-CB 4.44Å; I594-K616 HydrophobicContact CD1-CB 4.33Å; I594-K616 HydrophobicContact CD1-CG 3.46Å; I594-K616 VanDerWaalsContact CD1-CG 3.46Å; V612-K616 PolarHBondContact O-N 3.14Å; Q613-K616 PolarHBondContact O-N 2.99Å; K616-I619 PolarHBondContact O-N 3.28Å; K616-G620 PolarHBondContact O-N 3.5Å; K616-W677 VanDerWaalsContact NZ-CD1 3.27Å |
| 617 | Q | 93.7 | Very high | 90.5 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.9 | -39.6 | -179.7 | -171.2 | 175.3 | 20.8 | 0 | 0 | 112.1 | Q613 Q614 A615 G620 H621 | Q613-Q617 PolarHBondContact O-N 3.36Å; Q614-Q617 PolarHBondContact O-N 3.33Å; A615-Q617 VanDerWaalsContact C-N 3.3Å; A615-Q617 PolarHBondContact O-N 2.93Å; Q617-G620 PolarHBondContact O-N 2.82Å; Q617-H621 PolarHBondContact NE2-CE1 2.92Å; Q617-H621 WeakPolarHBondContact O-CB 3.47Å; Q617-H621 VanDerWaalsContact O-CG 3.3Å; Q617-H621 PolarHBondContact O-N 3.4Å |
| 618 | L | 94.6 | Very high | 90.3 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.6 | -71.3 | 172 | 0 | 0 | 0 | 112.4 | I567 T571 Q614 A615 L622 | I567-L618 HydrophobicContact CD1-CB 4.43Å; I567-L618 HydrophobicContact CG1-CB 4.31Å; I567-L618 HydrophobicContact CG2-CB 4.02Å; I567-L618 HydrophobicContact CG2-CD1 4.07Å; T571-L618 HydrophobicContact CG2-CD1 3.67Å; Q614-L618 WeakPolarHBondContact O-CG 3.38Å; Q614-L618 PolarHBondContact O-N 3.23Å; A615-L618 PolarHBondContact O-N 3.35Å; L618-L622 WeakPolarHBondContact O-CB 3.33Å; L618-L622 PolarHBondContact O-N 2.77Å |
| 619 | I | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 173.2 | -68.3 | 171.7 | 0 | 0 | 0 | 110.3 | I546 V548 I556 I564 I567 I575 F592 I594 A615 K616 L622 V623 | I546-I619 HydrophobicContact CD1-CB 4.33Å; I546-I619 HydrophobicContact CD1-CG2 3.99Å; I546-I619 HydrophobicContact CG2-CB 4.48Å; I546-I619 HydrophobicContact CG2-CD1 4.11Å; I546-I619 HydrophobicContact CG2-CG2 3.98Å; V548-I619 HydrophobicContact CG2-CG2 3.93Å; I556-I619 HydrophobicContact CD1-CG2 3.93Å; I556-I619 HydrophobicContact CG2-CG1 4.31Å; I556-I619 HydrophobicContact CG2-CG2 4.26Å; I564-I619 HydrophobicContact CD1-CD1 4.33Å; I567-I619 HydrophobicContact CD1-CG1 4.05Å; I575-I619 HydrophobicContact CD1-CD1 4.35Å; I575-I619 HydrophobicContact CG2-CD1 4.32Å; F592-I619 HydrophobicContact CB-CD1 4.47Å; I594-I619 HydrophobicContact CD1-CD1 4.14Å; I594-I619 HydrophobicContact CG1-CD1 4.42Å; A615-I619 WeakPolarHBondContact O-CG1 3.42Å; A615-I619 PolarHBondContact O-N 3.05Å; K616-I619 PolarHBondContact O-N 3.28Å; I619-L622 WeakPolarHBondContact O-CB 3.33Å; I619-L622 PolarHBondContact O-N 2.94Å; I619-L622 VanDerWaalsContact O-N 3.09Å; I619-V623 PolarHBondContact O-N 2.83Å |
| 620 | G | 93.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | K616 Q617 L622 V623 M624 | K616-G620 PolarHBondContact O-N 3.5Å; Q617-G620 PolarHBondContact O-N 2.82Å; G620-L622 PolarHBondContact O-N 3.46Å; G620-V623 WeakPolarHBondContact O-CB 3.26Å; G620-V623 PolarHBondContact O-N 2.94Å; G620-M624 WeakPolarHBondContact O-CG 3.43Å; G620-M624 PolarHBondContact O-N 3.44Å |
| 621 | H | 90.3 | Very high | 88.3 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -30.4 | 172.6 | -70 | 162.8 | 0 | 0 | 0 | 112.5 | Q617 R625 | Q617-H621 PolarHBondContact NE2-CE1 2.92Å; Q617-H621 WeakPolarHBondContact O-CB 3.47Å; Q617-H621 VanDerWaalsContact O-CG 3.3Å; Q617-H621 PolarHBondContact O-N 3.4Å; H621-R625 VanDerWaalsContact O-CB 3.29Å; H621-R625 WeakPolarHBondContact O-CB 3.41Å; H621-R625 PolarHBondContact O-N 3.13Å |
| 622 | L | 91.5 | Very high | 86.9 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.9 | -32.8 | 176.3 | -172.4 | 57.1 | 0 | 0 | 0 | 112.6 | I556 I563 L618 I619 G620 Q626 | I556-L622 HydrophobicContact CB-CD2 4.26Å; I556-L622 HydrophobicContact CG1-CD2 3.96Å; I556-L622 HydrophobicContact CG1-CG 4.07Å; I556-L622 HydrophobicContact CG2-CD2 4.41Å; I563-L622 HydrophobicContact CG2-CD2 3.6Å; L618-L622 WeakPolarHBondContact O-CB 3.33Å; L618-L622 PolarHBondContact O-N 2.77Å; I619-L622 WeakPolarHBondContact O-CB 3.33Å; I619-L622 PolarHBondContact O-N 2.94Å; I619-L622 VanDerWaalsContact O-N 3.09Å; G620-L622 PolarHBondContact O-N 3.46Å; L622-Q626 WeakPolarHBondContact O-CG 3.24Å; L622-Q626 PolarHBondContact O-N 3.13Å |
| 623 | V | 91.7 | Very high | 85.2 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -56.2 | 167.4 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | V548 M552 I556 I619 G620 R625 Q626 L627 | V548-V623 HydrophobicContact CG1-CG2 4.09Å; V548-V623 HydrophobicContact CG2-CG2 4.01Å; M552-V623 HydrophobicContact SD-CG1 4.15Å; I556-V623 HydrophobicContact CD1-CG2 3.49Å; I556-V623 VanDerWaalsContact CD1-CG2 3.49Å; I619-V623 PolarHBondContact O-N 2.83Å; G620-V623 WeakPolarHBondContact O-CB 3.26Å; G620-V623 PolarHBondContact O-N 2.94Å; V623-R625 VanDerWaalsContact C-N 3.34Å; V623-R625 PolarHBondContact O-N 3.31Å; V623-Q626 PolarHBondContact O-N 3.4Å; V623-L627 HydrophobicContact CG1-CD1 3.81Å; V623-L627 HydrophobicContact CG1-CG 4.46Å; V623-L627 PolarHBondContact O-N 3.26Å |
| 624 | M | 84.9 | Confident | 83.4 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.7 | -45.5 | -177.8 | -63.7 | -49.6 | -62 | 0 | 0 | 112 | G620 Q626 L627 E628 W679 L694 | G620-M624 WeakPolarHBondContact O-CG 3.43Å; G620-M624 PolarHBondContact O-N 3.44Å; M624-Q626 PolarHBondContact O-N 3.01Å; M624-Q626 VanDerWaalsContact O-N 3.15Å; M624-L627 HydrophobicContact CE-CD1 4.34Å; M624-L627 WeakPolarHBondContact O-CB 3.46Å; M624-L627 PolarHBondContact O-N 3.46Å; M624-L627 VanDerWaalsContact O-N 3.11Å; M624-L627 HydrophobicContact SD-CD1 3.89Å; M624-E628 WeakPolarHBondContact O-CB 3.22Å; M624-E628 VanDerWaalsContact O-CG 3.28Å; M624-E628 WeakPolarHBondContact O-CG 3.49Å; M624-E628 PolarHBondContact O-N 3.01Å; M624-W679 HydrophobicContact CG-CH2 4.08Å; M624-W679 HydrophobicContact CG-CZ3 4.43Å; M624-W679 HydrophobicContact SD-CE3 4.46Å; M624-W679 HydrophobicContact SD-CH2 3.86Å; M624-W679 HydrophobicContact SD-CZ3 3.71Å; M624-L694 HydrophobicContact CE-CD1 3.84Å; M624-L694 HydrophobicContact CE-CG 4.19Å |
| 625 | R | 85.4 | Confident | 81.7 | Confident | 105 Ų | 105 | 60.6 Ų | 60.6 | 40% | 0.396 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.5 | -25.5 | 176.5 | -178.6 | 174.7 | -70.2 | 158.5 | -3.6 | 114.4 | H621 V623 E628 R629 | H621-R625 VanDerWaalsContact O-CB 3.29Å; H621-R625 WeakPolarHBondContact O-CB 3.41Å; H621-R625 PolarHBondContact O-N 3.13Å; V623-R625 VanDerWaalsContact C-N 3.34Å; V623-R625 PolarHBondContact O-N 3.31Å; R625-E628 WeakPolarHBondContact CA-OE2 3.47Å; R625-R629 WeakPolarHBondContact O-CD 3.14Å; R625-R629 VanDerWaalsContact O-CG 3.27Å; R625-R629 WeakPolarHBondContact O-CG 3.47Å; R625-R629 PolarHBondContact O-N 2.89Å |
| 626 | Q | 82.3 | Confident | 79.7 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -90.3 | -23.8 | 178.2 | -63.9 | -69.7 | -6.8 | 0 | 0 | 112.5 | M552 K555 L622 V623 M624 R630 | M552-Q626 HydrophobicContact CE-CB 4.42Å; M552-Q626 HydrophobicContact SD-CB 3.8Å; K555-Q626 HydrophobicContact CB-CG 4.29Å; K555-Q626 HydrophobicContact CD-CB 4.09Å; K555-Q626 HydrophobicContact CD-CG 3.78Å; K555-Q626 VanDerWaalsContact CD-OE1 3.23Å; K555-Q626 VanDerWaalsContact NZ-OE1 3.12Å; L622-Q626 WeakPolarHBondContact O-CG 3.24Å; L622-Q626 PolarHBondContact O-N 3.13Å; V623-Q626 PolarHBondContact O-N 3.4Å; M624-Q626 PolarHBondContact O-N 3.01Å; M624-Q626 VanDerWaalsContact O-N 3.15Å; Q626-R630 PolarHBondContact O-N 2.89Å |
| 627 | L | 83 | Confident | 77.6 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 18% | 0.183 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.3 | -49.5 | 165.6 | -69 | 160.7 | 0 | 0 | 0 | 110.9 | M552 V623 M624 R629 R630 A631 V682 | M552-L627 HydrophobicContact CE-CD2 3.44Å; M552-L627 VanDerWaalsContact CE-CD2 3.44Å; M552-L627 HydrophobicContact CE-CG 3.64Å; M552-L627 HydrophobicContact SD-CD2 4.46Å; M552-L627 HydrophobicContact SD-CG 4.15Å; V623-L627 HydrophobicContact CG1-CD1 3.81Å; V623-L627 HydrophobicContact CG1-CG 4.46Å; V623-L627 PolarHBondContact O-N 3.26Å; M624-L627 HydrophobicContact CE-CD1 4.34Å; M624-L627 WeakPolarHBondContact O-CB 3.46Å; M624-L627 PolarHBondContact O-N 3.46Å; M624-L627 VanDerWaalsContact O-N 3.11Å; M624-L627 HydrophobicContact SD-CD1 3.89Å; L627-R629 VanDerWaalsContact C-N 3.27Å; L627-R629 PolarHBondContact O-N 3.04Å; L627-R630 WeakPolarHBondContact O-CB 3.29Å; L627-R630 PolarHBondContact O-N 2.73Å; L627-A631 PolarHBondContact O-N 3.26Å; L627-V682 HydrophobicContact CD1-CG1 3.68Å; L627-V682 HydrophobicContact CD2-CG1 3.86Å; L627-V682 HydrophobicContact CG-CG1 4.43Å |
| 628 | E | 81 | Confident | 75.6 | Confident | 104 Ų | 104 | 73.7 Ų | 73.7 | 49% | 0.486 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.1 | -41.3 | 178.4 | -73.8 | 165.9 | 175.3 | 0 | 0 | 112.4 | M624 R625 S632 | M624-E628 WeakPolarHBondContact O-CB 3.22Å; M624-E628 VanDerWaalsContact O-CG 3.28Å; M624-E628 WeakPolarHBondContact O-CG 3.49Å; M624-E628 PolarHBondContact O-N 3.01Å; R625-E628 WeakPolarHBondContact CA-OE2 3.47Å; E628-S632 PolarHBondContact O-N 3.28Å; E628-S632 VanDerWaalsContact O-N 3.07Å; E628-S632 PolarHBondContact O-OG 3.43Å |
| 629 | R | 79.5 | Confident | 73.3 | Confident | 125 Ų | 125 | 75.7 Ų | 75.7 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.2 | -74.8 | 169.9 | -178.7 | -162.9 | -5.2 | 112.5 | R625 L627 A631 S632 E633 | R625-R629 WeakPolarHBondContact O-CD 3.14Å; R625-R629 VanDerWaalsContact O-CG 3.27Å; R625-R629 WeakPolarHBondContact O-CG 3.47Å; R625-R629 PolarHBondContact O-N 2.89Å; L627-R629 VanDerWaalsContact C-N 3.27Å; L627-R629 PolarHBondContact O-N 3.04Å; R629-A631 VanDerWaalsContact C-N 3.33Å; R629-A631 PolarHBondContact O-N 3.49Å; R629-S632 WeakPolarHBondContact O-CA 3.18Å; R629-S632 WeakPolarHBondContact O-CB 3.4Å; R629-S632 PolarHBondContact O-N 3.48Å; R629-E633 WeakPolarHBondContact O-CG 3.27Å; R629-E633 PolarHBondContact O-N 3.18Å |
| 630 | R | 74.4 | Confident | 70.6 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 179.3 | -175.3 | 178.6 | -175.1 | 155.4 | 8.7 | 111.4 | Q626 L627 S632 E633 E634 | Q626-R630 PolarHBondContact O-N 2.89Å; L627-R630 WeakPolarHBondContact O-CB 3.29Å; L627-R630 PolarHBondContact O-N 2.73Å; R630-S632 PolarHBondContact O-N 2.87Å; R630-E633 PolarHBondContact O-N 2.77Å; R630-E634 VanDerWaalsContact CG-OE1 3.27Å; R630-E634 WeakPolarHBondContact CG-OE1 3.34Å; R630-E634 IonicContact CZ-OE1 2.99Å; R630-E634 IonicContact NE-OE1 2.65Å; R630-E634 PolarHBondContact NE-OE1 2.85Å; R630-E634 IonicContact NH2-OE1 3.89Å; R630-E634 WeakPolarHBondContact O-CG 3.5Å; R630-E634 PolarHBondContact O-N 3.35Å |
| 631 | A | 71.5 | Confident | 67.9 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.9 | -20 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | L627 R629 V635 | L627-A631 PolarHBondContact O-N 3.26Å; R629-A631 VanDerWaalsContact C-N 3.33Å; R629-A631 PolarHBondContact O-N 3.49Å; A631-V635 VanDerWaalsContact O-CG2 3.26Å; A631-V635 WeakPolarHBondContact O-CG2 3.04Å |
| 632 | S | 62.4 | Low | 65.2 | Low | 76 Ų | 76 | 83 Ų | 83 | 53% | 0.531 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -83 | -40.2 | 172.6 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | E628 R629 R630 V635 | E628-S632 PolarHBondContact O-N 3.28Å; E628-S632 VanDerWaalsContact O-N 3.07Å; E628-S632 PolarHBondContact O-OG 3.43Å; R629-S632 WeakPolarHBondContact O-CA 3.18Å; R629-S632 WeakPolarHBondContact O-CB 3.4Å; R629-S632 PolarHBondContact O-N 3.48Å; R630-S632 PolarHBondContact O-N 2.87Å; S632-V635 PolarHBondContact O-N 2.94Å |
| 633 | E | 59.3 | Low | 62.5 | Low | 119 Ų | 119 | 89.2 Ų | 89.2 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 177.9 | -71.3 | 158.5 | -172.3 | 0 | 0 | 111 | R629 R630 V635 E636 | R629-E633 WeakPolarHBondContact O-CG 3.27Å; R629-E633 PolarHBondContact O-N 3.18Å; R630-E633 PolarHBondContact O-N 2.77Å; E633-V635 VanDerWaalsContact C-N 3.27Å; E633-V635 PolarHBondContact O-N 3.09Å; E633-E636 PolarHBondContact O-N 3.06Å |
| 634 | E | 55.8 | Low | 59.9 | Low | 107 Ų | 107 | 97.2 Ų | 97.2 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -16.9 | 179.2 | -69 | 169.7 | -168.5 | 0 | 0 | 113.5 | R630 | R630-E634 VanDerWaalsContact CG-OE1 3.27Å; R630-E634 WeakPolarHBondContact CG-OE1 3.34Å; R630-E634 IonicContact CZ-OE1 2.99Å; R630-E634 IonicContact NE-OE1 2.65Å; R630-E634 PolarHBondContact NE-OE1 2.85Å; R630-E634 IonicContact NH2-OE1 3.89Å; R630-E634 WeakPolarHBondContact O-CG 3.5Å; R630-E634 PolarHBondContact O-N 3.35Å |
| 635 | V | 57 | Low | 57.6 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 56% | 0.558 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -85.2 | -31.3 | 178.6 | 168.2 | 0 | 0 | 0 | 0 | 113.2 | A631 S632 E633 S639 | A631-V635 VanDerWaalsContact O-CG2 3.26Å; A631-V635 WeakPolarHBondContact O-CG2 3.04Å; S632-V635 PolarHBondContact O-N 2.94Å; E633-V635 VanDerWaalsContact C-N 3.27Å; E633-V635 PolarHBondContact O-N 3.09Å; V635-S639 WeakPolarHBondContact O-CB 3.23Å; V635-S639 PolarHBondContact O-N 3.22Å; V635-S639 PolarHBondContact O-OG 3.36Å |
| 636 | E | 52.9 | Low | 55.2 | Low | 159 Ų | 159 | 100.5 Ų | 100.5 | 74% | 0.743 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -71.6 | -38.8 | 175.3 | -70.8 | -167.2 | 146.5 | 0 | 0 | 111.6 | E633 A638 S639 G640 | E633-E636 PolarHBondContact O-N 3.06Å; E636-A638 PolarHBondContact O-N 3.09Å; E636-S639 PolarHBondContact O-N 3.4Å; E636-S639 VanDerWaalsContact O-N 3.08Å; E636-G640 PolarHBondContact O-N 3.48Å |
| 637 | E | 50.3 | Low | 53.1 | Low | 159 Ų | 159 | 108.9 Ų | 108.9 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.9 | -35.8 | 177.6 | -64.1 | -165.6 | 156.2 | 0 | 0 | 112.8 | S639 G640 S641 | E637-S639 PolarHBondContact O-N 3.35Å; E637-G640 PolarHBondContact O-N 3.37Å; E637-S641 PolarHBondContact O-OG 3.29Å |
| 638 | A | 50.7 | Low | 51.1 | Low | 77 Ų | 77 | 115.1 Ų | 115.1 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.7 | -20 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E636 | E636-A638 PolarHBondContact O-N 3.09Å |
| 639 | S | 46.3 | Very low | 49.1 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 62% | 0.615 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -93.6 | -21.8 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | V635 E636 E637 | V635-S639 WeakPolarHBondContact O-CB 3.23Å; V635-S639 PolarHBondContact O-N 3.22Å; V635-S639 PolarHBondContact O-OG 3.36Å; E636-S639 PolarHBondContact O-N 3.4Å; E636-S639 VanDerWaalsContact O-N 3.08Å; E637-S639 PolarHBondContact O-N 3.35Å |
| 640 | G | 39.8 | Very low | 47 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -87.6 | -1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | E636 E637 | E636-G640 PolarHBondContact O-N 3.48Å; E637-G640 PolarHBondContact O-N 3.37Å |
| 641 | S | 35.3 | Very low | 45.4 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | trans | -109.1 | 29.1 | -163.6 | 38.3 | 0 | 0 | 0 | 0 | 115 | E637 | E637-S641 PolarHBondContact O-OG 3.29Š| ||
| 642 | S | 34.2 | Very low | 43.7 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | -109.5 | 39.5 | -179.1 | 59.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 643 | N | 34.9 | Very low | 42.4 | Very low | 154 Ų | 154 | 126.6 Ų | 126.6 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | trans | -125.5 | 79.7 | 170.8 | -87.8 | -47.2 | 0 | 0 | 0 | 111.1 | ||||
| 644 | I | 36.9 | Very low | 41.2 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 86% | 0.862 | 74% | 0.735 | S | S | * | * | trans | -117.5 | 103.4 | 157.5 | 98.8 | 174.5 | 0 | 0 | 0 | 108.4 | ||||
| 645 | S | 36.7 | Very low | 40.2 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -112.8 | 114 | 156.6 | 56.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 646 | S | 34.9 | Very low | 39.1 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 79.1 | 133.9 | 94.6 | -61.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 647 | E | 38.8 | Very low | 38.2 | Very low | 196 Ų | 196 | 125.4 Ų | 125.4 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | 66.6 | 119.9 | -169.6 | -58.2 | 152.7 | 99.5 | 0 | 0 | 111.2 | ||||
| 648 | D | 40.7 | Very low | 37.1 | Very low | 167 Ų | 167 | 123.9 Ų | 123.9 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | cis | -131.4 | 169.9 | 38.9 | -146.8 | -23.3 | 0 | 0 | 0 | 114.3 | ||||
| 649 | Q | 39.2 | Very low | 36.4 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -132.5 | 120.8 | -165.3 | -176.8 | -161.2 | 99.7 | 0 | 0 | 111.5 | ||||
| 650 | R | 35.4 | Very low | 35.5 | Very low | 218 Ų | 218 | 127.4 Ų | 127.4 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | trans | 160.2 | 164.6 | 137.3 | -85.5 | 152.2 | -169.8 | -142.6 | 2.4 | 114.6 | ||||
| 651 | V | 40.6 | Very low | 34.9 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 80.6 | 80.7 | 161.5 | -155.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 652 | N | 36.3 | Very low | 34.8 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 64.4 | 119.1 | 131.8 | -53.8 | -9.1 | 0 | 0 | 0 | 122 | ||||
| 653 | G | 33.8 | Very low | 34.5 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 153.2 | 83.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 654 | P | 34.8 | Very low | 34.1 | Very low | 135 Ų | 135 | 132 Ų | 132 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -102.7 | 119.1 | -179 | 35.3 | -28.9 | 0 | 0 | 0 | 115 | ||||
| 655 | S | 35.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -157.2 | 105.4 | 158.6 | 56.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 656 | A | 33.6 | Very low | 33.4 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | 68.9 | 128.7 | 93.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 657 | S | 33.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -162.4 | 152 | -2.3 | 54 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 658 | T | 28.9 | Very low | 33 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 8.1 | 118.8 | 149.7 | -46.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 659 | V | 34.3 | Very low | 32.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -139.8 | 139.4 | 144.2 | -168.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 660 | S | 28.8 | Very low | 32.2 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | trans | -144.9 | 159.9 | 176.4 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 661 | S | 26.9 | Very low | 32.1 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 69.1 | 177.7 | 177.4 | 81.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 662 | V | 31.9 | Very low | 31.6 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | 74.6 | 123.4 | -176.5 | -169.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 663 | C | 29.5 | Very low | 31.3 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 69% | 0.689 | 81% | 0.811 | S | S | * | * | cis | -154.4 | 151.4 | 1 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 664 | N | 25.4 | Very low | 31.5 | Very low | 165 Ų | 165 | 124 Ų | 124 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -74.6 | 143.6 | 150.4 | -92.2 | -25.4 | 0 | 0 | 0 | 109.9 | ||||
| 665 | S | 31.3 | Very low | 31.9 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -162.4 | 115.8 | 158.7 | -85.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 666 | T | 27.1 | Very low | 32.1 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -77.3 | 146.2 | 175.6 | -45.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 667 | S | 33.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -149.7 | 123 | 162.9 | -83.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 668 | K | 31.8 | Very low | 32.8 | Very low | 198 Ų | 198 | 123.7 Ų | 123.7 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -85.9 | 145.2 | 176 | -62.2 | 173.3 | 180 | 173.4 | 0 | 110.1 | ||||
| 669 | T | 33.2 | Very low | 33.5 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -132.6 | 138 | 157.4 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 670 | N | 31.4 | Very low | 34.2 | Very low | 174 Ų | 174 | 116.8 Ų | 116.8 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | trans | -96.1 | 131.7 | 176.5 | -86.9 | -28.3 | 0 | 0 | 0 | 109.7 | ||||
| 671 | G | 32.5 | Very low | 34.8 | Very low | 79 Ų | 79 | 117.4 Ų | 117.4 | 81% | 0.814 | 72% | 0.723 | S | S | * | * | trans | -156 | 67.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 672 | G | 30.4 | Very low | 36 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | trans | 55.6 | 80.6 | 144.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 673 | G | 30.2 | Very low | 36.7 | Very low | 85 Ų | 85 | 111 Ų | 111 | 88% | 0.876 | 69% | 0.688 | S | S | * | * | trans | 40.9 | 79.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 674 | N | 38.4 | Very low | 37.5 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -145 | 133.8 | 160.7 | -139.7 | -22.5 | 0 | 0 | 0 | 110.3 | G676 | N674-G676 PolarHBondContact O-N 3.02Š| ||
| 675 | N | 41.8 | Very low | 39.3 | Very low | 165 Ų | 165 | 107.8 Ų | 107.8 | 88% | 0.882 | 66% | 0.658 | S | S | * | * | trans | -82.3 | 44.8 | -171.6 | -70.2 | -33.5 | 0 | 0 | 0 | 113.1 | ||||
| 676 | G | 39.7 | Very low | 40.9 | Very low | 41 Ų | 41 | 107 Ų | 107 | 42% | 0.423 | 65% | 0.645 | S | S | . | * | trans | -74.9 | 134.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N674 M678 | N674-G676 PolarHBondContact O-N 3.02Å; G676-M678 PolarHBondContact O-N 3.37Å | ||
| 677 | W | 40.7 | Very low | 42.6 | Very low | 86 Ų | 86 | 104.1 Ų | 104.1 | 33% | 0.326 | 63% | 0.63 | S | S | . | * | B | Isolated β-bridge | trans | -82 | 90.6 | 164.1 | -87.9 | 65.3 | 0 | 0 | 0 | 108 | S547 K616 I697 | S547-W677 PolarHBondContact N-O 3.22Å; K616-W677 VanDerWaalsContact NZ-CD1 3.27Å; W677-I697 HydrophobicContact CH2-CG2 4.46Å; W677-I697 HydrophobicContact CZ3-CG2 4.22Å |
| 678 | M | 40.2 | Very low | 44.3 | Very low | 152 Ų | 152 | 102.9 Ų | 102.9 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 138.9 | 163.1 | -69 | 174.5 | 61.3 | 0 | 0 | 108.8 | G676 | G676-M678 PolarHBondContact O-N 3.37Š|
| 679 | W | 43.7 | Very low | 46.2 | Very low | 59 Ų | 59 | 98.1 Ų | 98.1 | 22% | 0.223 | 59% | 0.592 | C | S | . | * | P | Polyproline II helix | trans | -73.2 | 156.3 | 161.5 | -59.7 | 90.6 | 0 | 0 | 0 | 109 | S547 M624 V682 I697 | S547-W679 VanDerWaalsContact O-CD1 3.26Å; S547-W679 PolarHBondContact O-NE1 3.46Å; M624-W679 HydrophobicContact CG-CH2 4.08Å; M624-W679 HydrophobicContact CG-CZ3 4.43Å; M624-W679 HydrophobicContact SD-CE3 4.46Å; M624-W679 HydrophobicContact SD-CH2 3.86Å; M624-W679 HydrophobicContact SD-CZ3 3.71Å; W679-V682 HydrophobicContact CB-CG2 3.74Å; W679-V682 HydrophobicContact CG-CG2 4.35Å; W679-I697 HydrophobicContact CZ3-CD1 4.24Å |
| 680 | P | 48.6 | Very low | 47.7 | Very low | 67 Ų | 67 | 92.3 Ų | 92.3 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 165.3 | 154.7 | -21 | 34.1 | 0 | 0 | 0 | 110.7 | V682 V693 | P680-V682 VanDerWaalsContact C-N 3.28Å; P680-V682 WeakPolarHBondContact O-CG2 3.5Å; P680-V682 PolarHBondContact O-N 3.18Å; P680-V693 HydrophobicContact CG-CG1 4.26Å |
| 681 | D | 42.5 | Very low | 49.6 | Very low | 107 Ų | 107 | 92.4 Ų | 92.4 | 57% | 0.572 | 55% | 0.545 | S | S | * | . | trans | -70.5 | 79.9 | -175.3 | -125.6 | -49 | 0 | 0 | 0 | 111.6 | N587 A683 Q684 | N587-D681 PolarHBondContact ND2-OD1 3.14Å; D681-A683 PolarHBondContact O-N 3.1Å; D681-Q684 PolarHBondContact O-N 3.3Å; D681-Q684 VanDerWaalsContact O-N 3.13Å | ||
| 682 | V | 52.4 | Low | 51.6 | Low | 30 Ų | 30 | 92.6 Ų | 92.6 | 18% | 0.182 | 53% | 0.525 | C | S | . | . | G | 310 helix | trans | -60.2 | -21.9 | -167.7 | -167.1 | 0 | 0 | 0 | 0 | 113 | L627 W679 P680 Q684 M685 | L627-V682 HydrophobicContact CD1-CG1 3.68Å; L627-V682 HydrophobicContact CD2-CG1 3.86Å; L627-V682 HydrophobicContact CG-CG1 4.43Å; W679-V682 HydrophobicContact CB-CG2 3.74Å; W679-V682 HydrophobicContact CG-CG2 4.35Å; P680-V682 VanDerWaalsContact C-N 3.28Å; P680-V682 WeakPolarHBondContact O-CG2 3.5Å; P680-V682 PolarHBondContact O-N 3.18Å; V682-Q684 PolarHBondContact O-N 2.84Å; V682-Q684 VanDerWaalsContact O-N 3.12Å; V682-M685 HydrophobicContact CB-CE 4.37Å; V682-M685 HydrophobicContact CG1-CE 3.9Å; V682-M685 HydrophobicContact CG2-CE 4.23Å; V682-M685 PolarHBondContact O-N 3.23Å |
| 683 | A | 45.5 | Very low | 53.4 | Low | 77 Ų | 77 | 89.7 Ų | 89.7 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -66.1 | -7.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D681 | D681-A683 PolarHBondContact O-N 3.1Š|
| 684 | Q | 47.3 | Very low | 55 | Low | 173 Ų | 173 | 88 Ų | 88 | 81% | 0.808 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -125.1 | 2.8 | 175.6 | -63.2 | -169.7 | -37.6 | 0 | 0 | 113.8 | D681 V682 | D681-Q684 PolarHBondContact O-N 3.3Å; D681-Q684 VanDerWaalsContact O-N 3.13Å; V682-Q684 PolarHBondContact O-N 2.84Å; V682-Q684 VanDerWaalsContact O-N 3.12Å |
| 685 | M | 62 | Low | 56.5 | Low | 27 Ų | 27 | 85.4 Ų | 85.4 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | trans | -91.2 | 119.4 | -171.1 | -174.3 | 167 | 57.1 | 0 | 0 | 111.1 | V682 E689 A690 V693 | V682-M685 HydrophobicContact CB-CE 4.37Å; V682-M685 HydrophobicContact CG1-CE 3.9Å; V682-M685 HydrophobicContact CG2-CE 4.23Å; V682-M685 PolarHBondContact O-N 3.23Å; M685-E689 HydrophobicContact CG-CB 3.74Å; M685-E689 HydrophobicContact CG-CG 3.73Å; M685-E689 HydrophobicContact SD-CB 4.48Å; M685-E689 HydrophobicContact SD-CG 4Å; M685-A690 HydrophobicContact CE-CB 3.9Å; M685-A690 HydrophobicContact CG-CB 4.16Å; M685-A690 HydrophobicContact SD-CB 4.35Å; M685-V693 HydrophobicContact SD-CB 4.1Å; M685-V693 HydrophobicContact SD-CG2 3.68Å | ||
| 686 | D | 65.4 | Low | 58 | Low | 96 Ų | 96 | 83.7 Ų | 83.7 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | trans | -63.4 | 155.8 | 176.7 | 169.1 | 55.4 | 0 | 0 | 0 | 112.2 | Q688 E689 A690 | D686-Q688 PolarHBondContact O-N 3.12Å; D686-Q688 VanDerWaalsContact OD2-CB 3.3Å; D686-Q688 WeakPolarHBondContact OD2-CB 3.46Å; D686-Q688 PolarHBondContact OD2-N 3.01Å; D686-E689 PolarHBondContact O-N 2.75Å; D686-E689 VanDerWaalsContact O-N 3.13Å; D686-A690 VanDerWaalsContact O-CB 3.28Å; D686-A690 WeakPolarHBondContact O-CB 3.48Å; D686-A690 PolarHBondContact O-N 3.42Å | ||
| 687 | S | 63.5 | Low | 59.4 | Low | 73 Ų | 73 | 83.8 Ų | 83.8 | 51% | 0.51 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -45.3 | -38.5 | 172.4 | 65.5 | 0 | 0 | 0 | 0 | 115.1 | R691 | S687-R691 VanDerWaalsContact O-CG 3.3Å; S687-R691 WeakPolarHBondContact O-CG 3.29Å; S687-R691 PolarHBondContact O-N 2.86Å |
| 688 | Q | 69.2 | Low | 60.9 | Low | 95 Ų | 95 | 82.2 Ų | 82.2 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76.7 | -45.8 | 177.1 | 176.4 | 56.1 | 24.3 | 0 | 0 | 111.6 | D686 A690 R691 E692 | D686-Q688 PolarHBondContact O-N 3.12Å; D686-Q688 VanDerWaalsContact OD2-CB 3.3Å; D686-Q688 WeakPolarHBondContact OD2-CB 3.46Å; D686-Q688 PolarHBondContact OD2-N 3.01Å; Q688-A690 VanDerWaalsContact C-N 3.28Å; Q688-A690 PolarHBondContact O-N 3.34Å; Q688-R691 WeakPolarHBondContact O-CB 3.42Å; Q688-R691 PolarHBondContact O-N 2.83Å; Q688-R691 VanDerWaalsContact O-N 3.17Å; Q688-E692 PolarHBondContact NE2-OE1 3.41Å; Q688-E692 PolarHBondContact O-N 2.81Å |
| 689 | E | 72.4 | Confident | 62.5 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.9 | -172.4 | -176.4 | -173.8 | 0 | 0 | 111.1 | M685 D686 R691 E692 V693 | M685-E689 HydrophobicContact CG-CB 3.74Å; M685-E689 HydrophobicContact CG-CG 3.73Å; M685-E689 HydrophobicContact SD-CB 4.48Å; M685-E689 HydrophobicContact SD-CG 4Å; D686-E689 PolarHBondContact O-N 2.75Å; D686-E689 VanDerWaalsContact O-N 3.13Å; E689-R691 VanDerWaalsContact C-N 3.34Å; E689-R691 PolarHBondContact O-N 2.84Å; E689-E692 PolarHBondContact O-N 2.96Å; E689-V693 WeakPolarHBondContact O-CB 3.41Å; E689-V693 WeakPolarHBondContact O-CG2 3.46Å; E689-V693 PolarHBondContact O-N 3.03Å |
| 690 | A | 64.8 | Low | 63.7 | Low | 19 Ų | 19 | 80.1 Ų | 80.1 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M685 D686 Q688 L694 | M685-A690 HydrophobicContact CE-CB 3.9Å; M685-A690 HydrophobicContact CG-CB 4.16Å; M685-A690 HydrophobicContact SD-CB 4.35Å; D686-A690 VanDerWaalsContact O-CB 3.28Å; D686-A690 WeakPolarHBondContact O-CB 3.48Å; D686-A690 PolarHBondContact O-N 3.42Å; Q688-A690 VanDerWaalsContact C-N 3.28Å; Q688-A690 PolarHBondContact O-N 3.34Å; A690-L694 WeakPolarHBondContact O-CB 3.5Å; A690-L694 PolarHBondContact O-N 2.75Å |
| 691 | R | 71.1 | Confident | 64.3 | Low | 175 Ų | 175 | 78.5 Ų | 78.5 | 66% | 0.66 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 173.1 | -78.1 | 170 | 175.2 | -177.6 | 1.1 | 111.8 | S687 Q688 E689 L694 D695 | S687-R691 VanDerWaalsContact O-CG 3.3Å; S687-R691 WeakPolarHBondContact O-CG 3.29Å; S687-R691 PolarHBondContact O-N 2.86Å; Q688-R691 WeakPolarHBondContact O-CB 3.42Å; Q688-R691 PolarHBondContact O-N 2.83Å; Q688-R691 VanDerWaalsContact O-N 3.17Å; E689-R691 VanDerWaalsContact C-N 3.34Å; E689-R691 PolarHBondContact O-N 2.84Å; R691-L694 VanDerWaalsContact O-CB 3.23Å; R691-L694 WeakPolarHBondContact O-CB 3.45Å; R691-L694 PolarHBondContact O-N 3.37Å; R691-D695 PolarHBondContact O-N 2.66Å |
| 692 | E | 73.1 | Confident | 65.7 | Low | 83 Ų | 83 | 79.6 Ų | 79.6 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 177.7 | -66.6 | -178.5 | -162.7 | 0 | 0 | 112.8 | Q688 E689 L694 D695 R696 | Q688-E692 PolarHBondContact NE2-OE1 3.41Å; Q688-E692 PolarHBondContact O-N 2.81Å; E689-E692 PolarHBondContact O-N 2.96Å; E692-L694 VanDerWaalsContact C-N 3.3Å; E692-D695 PolarHBondContact O-N 3.14Å; E692-R696 WeakPolarHBondContact O-CB 3.18Å; E692-R696 VanDerWaalsContact O-CG 3.24Å; E692-R696 WeakPolarHBondContact O-CG 3.41Å; E692-R696 PolarHBondContact O-N 3Å; E692-R696 PolarHBondContact O-NE 3.44Å; E692-R696 IonicContact OE2-CZ 2.79Å; E692-R696 IonicContact OE2-NH1 2.62Å; E692-R696 PolarHBondContact OE2-NH1 2.99Å; E692-R696 IonicContact OE2-NH2 2.76Å |
| 693 | V | 68 | Low | 66.5 | Low | 17 Ų | 17 | 82.6 Ų | 82.6 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 171.6 | 168 | 0 | 0 | 0 | 0 | 110.3 | P680 M685 E689 R696 I697 | P680-V693 HydrophobicContact CG-CG1 4.26Å; M685-V693 HydrophobicContact SD-CB 4.1Å; M685-V693 HydrophobicContact SD-CG2 3.68Å; E689-V693 WeakPolarHBondContact O-CB 3.41Å; E689-V693 WeakPolarHBondContact O-CG2 3.46Å; E689-V693 PolarHBondContact O-N 3.03Å; V693-R696 PolarHBondContact O-N 2.97Å; V693-I697 HydrophobicContact CG1-CD1 3.66Å; V693-I697 HydrophobicContact CG1-CG1 4.41Å; V693-I697 WeakPolarHBondContact O-CB 3.14Å; V693-I697 VanDerWaalsContact O-CG1 3.22Å; V693-I697 WeakPolarHBondContact O-CG1 3.24Å; V693-I697 PolarHBondContact O-N 2.66Å |
| 694 | L | 64.4 | Low | 67.7 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 172.8 | -114.9 | 168.2 | 0 | 0 | 0 | 111.8 | M624 A690 R691 E692 I697 L698 | M624-L694 HydrophobicContact CE-CD1 3.84Å; M624-L694 HydrophobicContact CE-CG 4.19Å; A690-L694 WeakPolarHBondContact O-CB 3.5Å; A690-L694 PolarHBondContact O-N 2.75Å; R691-L694 VanDerWaalsContact O-CB 3.23Å; R691-L694 WeakPolarHBondContact O-CB 3.45Å; R691-L694 PolarHBondContact O-N 3.37Å; E692-L694 VanDerWaalsContact C-N 3.3Å; L694-I697 PolarHBondContact O-N 2.92Å; L694-L698 HydrophobicContact CD2-CD1 4.06Å; L694-L698 HydrophobicContact CD2-CG 4.34Å; L694-L698 WeakPolarHBondContact O-CB 3.31Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.4Å; L694-L698 PolarHBondContact O-N 3.4Å |
| 695 | D | 70.7 | Confident | 68.6 | Low | 102 Ų | 102 | 81.1 Ų | 81.1 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.1 | -38.7 | -178.2 | -120 | 6.1 | 0 | 0 | 0 | 112.2 | R691 E692 I697 L698 V699 | R691-D695 PolarHBondContact O-N 2.66Å; E692-D695 PolarHBondContact O-N 3.14Å; D695-I697 VanDerWaalsContact C-N 3.34Å; D695-I697 PolarHBondContact O-N 3.48Å; D695-L698 PolarHBondContact O-N 3.42Å; D695-V699 WeakPolarHBondContact O-CB 3.46Å; D695-V699 VanDerWaalsContact O-CG2 3.31Å; D695-V699 WeakPolarHBondContact O-CG2 3.37Å; D695-V699 PolarHBondContact O-N 3Å |
| 696 | R | 72.8 | Confident | 68.9 | Low | 129 Ų | 129 | 87.2 Ų | 87.2 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.9 | -45.6 | 170.1 | -73.3 | -176.9 | -75.5 | -106.2 | 7 | 111.2 | E692 V693 V699 E700 | E692-R696 WeakPolarHBondContact O-CB 3.18Å; E692-R696 VanDerWaalsContact O-CG 3.24Å; E692-R696 WeakPolarHBondContact O-CG 3.41Å; E692-R696 PolarHBondContact O-N 3Å; E692-R696 PolarHBondContact O-NE 3.44Å; E692-R696 IonicContact OE2-CZ 2.79Å; E692-R696 IonicContact OE2-NH1 2.62Å; E692-R696 PolarHBondContact OE2-NH1 2.99Å; E692-R696 IonicContact OE2-NH2 2.76Å; V693-R696 PolarHBondContact O-N 2.97Å; R696-V699 PolarHBondContact O-N 2.93Å; R696-E700 PolarHBondContact O-N 3.2Å |
| 697 | I | 68.3 | Low | 68.8 | Low | 44 Ų | 44 | 91.3 Ų | 91.3 | 23% | 0.226 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 177 | -70.1 | 168.6 | 0 | 0 | 0 | 111.8 | W677 W679 V693 L694 D695 E700 S701 | W677-I697 HydrophobicContact CH2-CG2 4.46Å; W677-I697 HydrophobicContact CZ3-CG2 4.22Å; W679-I697 HydrophobicContact CZ3-CD1 4.24Å; V693-I697 HydrophobicContact CG1-CD1 3.66Å; V693-I697 HydrophobicContact CG1-CG1 4.41Å; V693-I697 WeakPolarHBondContact O-CB 3.14Å; V693-I697 VanDerWaalsContact O-CG1 3.22Å; V693-I697 WeakPolarHBondContact O-CG1 3.24Å; V693-I697 PolarHBondContact O-N 2.66Å; L694-I697 PolarHBondContact O-N 2.92Å; D695-I697 VanDerWaalsContact C-N 3.34Å; D695-I697 PolarHBondContact O-N 3.48Å; I697-E700 PolarHBondContact O-N 3.39Å; I697-S701 VanDerWaalsContact O-CB 3.23Å; I697-S701 WeakPolarHBondContact O-CB 3.44Å; I697-S701 PolarHBondContact O-N 3.27Å; I697-S701 PolarHBondContact O-OG 2.86Å |
| 698 | L | 72.4 | Confident | 68.8 | Low | 53 Ų | 53 | 89.9 Ų | 89.9 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 176.7 | -75.2 | 169.4 | 0 | 0 | 0 | 111.6 | L694 D695 S701 K702 | L694-L698 HydrophobicContact CD2-CD1 4.06Å; L694-L698 HydrophobicContact CD2-CG 4.34Å; L694-L698 WeakPolarHBondContact O-CB 3.31Å; L694-L698 VanDerWaalsContact O-CG 3.26Å; L694-L698 WeakPolarHBondContact O-CG 3.4Å; L694-L698 PolarHBondContact O-N 3.4Å; D695-L698 PolarHBondContact O-N 3.42Å; L698-S701 WeakPolarHBondContact CA-OG 3.45Å; L698-S701 PolarHBondContact O-OG 3.2Å; L698-K702 VanDerWaalsContact O-CB 3.25Å; L698-K702 WeakPolarHBondContact O-CB 3.31Å; L698-K702 VanDerWaalsContact O-CD 3.25Å; L698-K702 WeakPolarHBondContact O-CD 3.44Å; L698-K702 WeakPolarHBondContact O-CG 3.31Å; L698-K702 PolarHBondContact O-N 3.48Å |
| 699 | V | 73.4 | Confident | 68.8 | Low | 77 Ų | 77 | 92.5 Ų | 92.5 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69 | -47.5 | 172.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | D695 R696 S701 K702 N703 | D695-V699 WeakPolarHBondContact O-CB 3.46Å; D695-V699 VanDerWaalsContact O-CG2 3.31Å; D695-V699 WeakPolarHBondContact O-CG2 3.37Å; D695-V699 PolarHBondContact O-N 3Å; R696-V699 PolarHBondContact O-N 2.93Å; V699-S701 PolarHBondContact O-N 3.42Å; V699-K702 PolarHBondContact O-N 3.35Å; V699-N703 WeakPolarHBondContact O-CB 3.35Å; V699-N703 VanDerWaalsContact O-CG 3.31Å; V699-N703 PolarHBondContact O-N 3.23Å; V699-N703 PolarHBondContact O-ND2 3.15Å |
| 700 | E | 69.9 | Low | 68.2 | Low | 90 Ų | 90 | 92 Ų | 92 | 42% | 0.421 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 179.4 | -157.1 | -145.4 | 133.8 | 0 | 0 | 111.7 | R696 I697 N703 K704 | R696-E700 PolarHBondContact O-N 3.2Å; I697-E700 PolarHBondContact O-N 3.39Å; E700-N703 CarbonylContact O-C 3.06Å; E700-N703 PolarHBondContact O-N 2.93Å; E700-N703 VanDerWaalsContact O-N 3.17Å; E700-K704 WeakPolarHBondContact O-CB 3.17Å; E700-K704 PolarHBondContact O-N 2.96Å; E700-K704 WeakPolarHBondContact OE1-CE 3.3Å; E700-K704 IonicContact OE1-NZ 3.2Å; E700-K704 PolarHBondContact OE1-NZ 3.48Å |
| 701 | S | 61.6 | Low | 68 | Low | 32 Ų | 32 | 96.3 Ų | 96.3 | 22% | 0.224 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | I697 L698 V699 T705 | I697-S701 VanDerWaalsContact O-CB 3.23Å; I697-S701 WeakPolarHBondContact O-CB 3.44Å; I697-S701 PolarHBondContact O-N 3.27Å; I697-S701 PolarHBondContact O-OG 2.86Å; L698-S701 WeakPolarHBondContact CA-OG 3.45Å; L698-S701 PolarHBondContact O-OG 3.2Å; V699-S701 PolarHBondContact O-N 3.42Å; S701-T705 VanDerWaalsContact O-CB 3.28Å; S701-T705 WeakPolarHBondContact O-CB 3.44Å; S701-T705 PolarHBondContact O-N 3.4Å; S701-T705 PolarHBondContact O-OG1 3.23Å |
| 702 | K | 70.9 | Confident | 67.3 | Low | 130 Ų | 130 | 89.3 Ų | 89.3 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 168.7 | -77 | 166.2 | -170.7 | 164.5 | 0 | 111 | L698 V699 T705 R706 | L698-K702 VanDerWaalsContact O-CB 3.25Å; L698-K702 WeakPolarHBondContact O-CB 3.31Å; L698-K702 VanDerWaalsContact O-CD 3.25Å; L698-K702 WeakPolarHBondContact O-CD 3.44Å; L698-K702 WeakPolarHBondContact O-CG 3.31Å; L698-K702 PolarHBondContact O-N 3.48Å; V699-K702 PolarHBondContact O-N 3.35Å; K702-T705 PolarHBondContact O-N 3.29Å; K702-R706 VanDerWaalsContact O-CB 3.27Å; K702-R706 WeakPolarHBondContact O-CB 3.45Å; K702-R706 PolarHBondContact O-N 3.33Å |
| 703 | N | 69.1 | Low | 66.4 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 178.8 | -74.6 | -24.4 | 0 | 0 | 0 | 112.8 | V699 E700 R706 R707 | V699-N703 WeakPolarHBondContact O-CB 3.35Å; V699-N703 VanDerWaalsContact O-CG 3.31Å; V699-N703 PolarHBondContact O-N 3.23Å; V699-N703 PolarHBondContact O-ND2 3.15Å; E700-N703 CarbonylContact O-C 3.06Å; E700-N703 PolarHBondContact O-N 2.93Å; E700-N703 VanDerWaalsContact O-N 3.17Å; N703-R706 PolarHBondContact O-N 2.91Å; N703-R707 WeakPolarHBondContact O-CB 3.25Å; N703-R707 PolarHBondContact O-N 2.8Å |
| 704 | K | 70.6 | Confident | 65.5 | Low | 124 Ų | 124 | 94.6 Ų | 94.6 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 174.7 | -121.7 | 164 | -170.2 | 152.2 | 0 | 111.4 | E700 R707 A708 | E700-K704 WeakPolarHBondContact O-CB 3.17Å; E700-K704 PolarHBondContact O-N 2.96Å; E700-K704 WeakPolarHBondContact OE1-CE 3.3Å; E700-K704 IonicContact OE1-NZ 3.2Å; E700-K704 PolarHBondContact OE1-NZ 3.48Å; K704-R707 PolarHBondContact O-N 3.34Å; K704-A708 WeakPolarHBondContact O-CB 3.46Å; K704-A708 PolarHBondContact O-N 2.89Å |
| 705 | T | 68 | Low | 64.5 | Low | 96 Ų | 96 | 97 Ų | 97 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.4 | -42.2 | 177 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | S701 K702 A708 K709 | S701-T705 VanDerWaalsContact O-CB 3.28Å; S701-T705 WeakPolarHBondContact O-CB 3.44Å; S701-T705 PolarHBondContact O-N 3.4Å; S701-T705 PolarHBondContact O-OG1 3.23Å; K702-T705 PolarHBondContact O-N 3.29Å; T705-A708 PolarHBondContact O-N 3.13Å; T705-K709 WeakPolarHBondContact O-CB 3.31Å; T705-K709 PolarHBondContact O-N 2.81Å |
| 706 | R | 68 | Low | 63.1 | Low | 155 Ų | 155 | 97.1 Ų | 97.1 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -49.9 | 173.2 | 177.9 | -179.9 | 168.5 | -166.5 | -9 | 111 | K702 N703 A708 K709 E710 | K702-R706 VanDerWaalsContact O-CB 3.27Å; K702-R706 WeakPolarHBondContact O-CB 3.45Å; K702-R706 PolarHBondContact O-N 3.33Å; N703-R706 PolarHBondContact O-N 2.91Å; R706-A708 VanDerWaalsContact C-N 3.34Å; R706-A708 PolarHBondContact O-N 3.31Å; R706-K709 CarbonylContact O-C 3.16Å; R706-K709 PolarHBondContact O-N 3.32Å; R706-K709 VanDerWaalsContact O-N 3.09Å; R706-E710 HydrophobicContact CG-CG 4.35Å; R706-E710 IonicContact CZ-OE1 2.73Å; R706-E710 IonicContact NE-OE1 3.19Å; R706-E710 PolarHBondContact NE-OE1 3.49Å; R706-E710 IonicContact NE-OE2 3.95Å; R706-E710 IonicContact NH2-OE1 3.67Å; R706-E710 PolarHBondContact NH2-OE1 3.45Å; R706-E710 WeakPolarHBondContact O-CG 3.33Å; R706-E710 PolarHBondContact O-N 3.44Å |
| 707 | R | 62.6 | Low | 61.1 | Low | 182 Ų | 182 | 93.5 Ų | 93.5 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.3 | -41.4 | 179.6 | -158.9 | 178.5 | -158 | 175.4 | 6.7 | 111.9 | N703 K704 K709 E710 L711 | N703-R707 WeakPolarHBondContact O-CB 3.25Å; N703-R707 PolarHBondContact O-N 2.8Å; K704-R707 PolarHBondContact O-N 3.34Å; R707-K709 VanDerWaalsContact C-N 3.34Å; R707-K709 PolarHBondContact O-N 2.84Å; R707-E710 PolarHBondContact O-N 2.81Å; R707-L711 HydrophobicContact CG-CD1 4.39Å; R707-L711 WeakPolarHBondContact O-CB 3.24Å; R707-L711 VanDerWaalsContact O-CG 3.24Å; R707-L711 WeakPolarHBondContact O-CG 3.33Å; R707-L711 PolarHBondContact O-N 2.9Å |
| 708 | A | 64.2 | Low | 59.5 | Low | 42 Ų | 42 | 97.5 Ų | 97.5 | 35% | 0.347 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K704 T705 R706 A712 | K704-A708 WeakPolarHBondContact O-CB 3.46Å; K704-A708 PolarHBondContact O-N 2.89Å; T705-A708 PolarHBondContact O-N 3.13Å; R706-A708 VanDerWaalsContact C-N 3.34Å; R706-A708 PolarHBondContact O-N 3.31Å; A708-A712 WeakPolarHBondContact O-CB 3.47Å; A708-A712 PolarHBondContact O-N 3.2Å |
| 709 | K | 67.9 | Low | 57.5 | Low | 151 Ų | 151 | 99.4 Ų | 99.4 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73.4 | -38.6 | 176.3 | -166.5 | 176.7 | -177.2 | -177.6 | 0 | 112.5 | T705 R706 R707 A712 V713 | T705-K709 WeakPolarHBondContact O-CB 3.31Å; T705-K709 PolarHBondContact O-N 2.81Å; R706-K709 CarbonylContact O-C 3.16Å; R706-K709 PolarHBondContact O-N 3.32Å; R706-K709 VanDerWaalsContact O-N 3.09Å; R707-K709 VanDerWaalsContact C-N 3.34Å; R707-K709 PolarHBondContact O-N 2.84Å; K709-A712 PolarHBondContact O-N 2.99Å; K709-V713 WeakPolarHBondContact O-CB 3.3Å; K709-V713 VanDerWaalsContact O-CG2 3.3Å; K709-V713 WeakPolarHBondContact O-CG2 3.23Å; K709-V713 PolarHBondContact O-N 2.86Å |
| 710 | E | 60.2 | Low | 55.7 | Low | 88 Ų | 88 | 101.4 Ų | 101.4 | 41% | 0.411 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.3 | -44.3 | 173 | -73.9 | 171.3 | 160.8 | 0 | 0 | 110.7 | R706 R707 A712 V713 V714 | R706-E710 HydrophobicContact CG-CG 4.35Å; R706-E710 IonicContact CZ-OE1 2.73Å; R706-E710 IonicContact NE-OE1 3.19Å; R706-E710 PolarHBondContact NE-OE1 3.49Å; R706-E710 IonicContact NE-OE2 3.95Å; R706-E710 IonicContact NH2-OE1 3.67Å; R706-E710 PolarHBondContact NH2-OE1 3.45Å; R706-E710 WeakPolarHBondContact O-CG 3.33Å; R706-E710 PolarHBondContact O-N 3.44Å; R707-E710 PolarHBondContact O-N 2.81Å; E710-A712 PolarHBondContact O-N 3.16Å; E710-V713 PolarHBondContact O-N 2.82Å; E710-V714 WeakPolarHBondContact O-CB 3.48Å; E710-V714 WeakPolarHBondContact O-CG2 3.42Å; E710-V714 PolarHBondContact O-N 3.5Å |
| 711 | L | 60.9 | Low | 54 | Low | 109 Ų | 109 | 103.6 Ų | 103.6 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.6 | -36.7 | 174.1 | -71.2 | 168.4 | 0 | 0 | 0 | 113 | R707 S715 | R707-L711 HydrophobicContact CG-CD1 4.39Å; R707-L711 WeakPolarHBondContact O-CB 3.24Å; R707-L711 VanDerWaalsContact O-CG 3.24Å; R707-L711 WeakPolarHBondContact O-CG 3.33Å; R707-L711 PolarHBondContact O-N 2.9Å; L711-S715 WeakPolarHBondContact O-CB 3.48Å; L711-S715 PolarHBondContact O-N 3.16Å; L711-S715 PolarHBondContact O-OG 3.37Å |
| 712 | A | 56.7 | Low | 52.6 | Low | 29 Ų | 29 | 107.2 Ų | 107.2 | 24% | 0.24 | 61% | 0.613 | C | S | . | * | H | α-helix | trans | -64.2 | -46 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A708 K709 E710 V714 S715 T716 | A708-A712 WeakPolarHBondContact O-CB 3.47Å; A708-A712 PolarHBondContact O-N 3.2Å; K709-A712 PolarHBondContact O-N 2.99Å; E710-A712 PolarHBondContact O-N 3.16Å; A712-V714 PolarHBondContact O-N 3.44Å; A712-S715 CarbonylContact O-C 3.56Å; A712-S715 WeakPolarHBondContact O-CA 3.39Å; A712-S715 WeakPolarHBondContact O-CB 3.31Å; A712-S715 PolarHBondContact O-N 3.03Å; A712-S715 VanDerWaalsContact O-N 3.07Å; A712-T716 PolarHBondContact O-N 2.91Å; A712-T716 PolarHBondContact O-OG1 3.2Å |
| 713 | V | 53.7 | Low | 50.8 | Low | 90 Ų | 90 | 106.9 Ų | 106.9 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.1 | -37.3 | 178.4 | 168.3 | 0 | 0 | 0 | 0 | 112 | K709 E710 S715 T716 | K709-V713 WeakPolarHBondContact O-CB 3.3Å; K709-V713 VanDerWaalsContact O-CG2 3.3Å; K709-V713 WeakPolarHBondContact O-CG2 3.23Å; K709-V713 PolarHBondContact O-N 2.86Å; E710-V713 PolarHBondContact O-N 2.82Å; V713-S715 VanDerWaalsContact C-N 3.29Å; V713-S715 PolarHBondContact O-N 2.91Å; V713-T716 CarbonylContact O-C 3.53Å; V713-T716 VanDerWaalsContact O-C 3.24Å; V713-T716 PolarHBondContact O-N 3.3Å |
| 714 | V | 48.7 | Very low | 48.8 | Very low | 120 Ų | 120 | 107.7 Ų | 107.7 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.9 | -29.2 | 172.4 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | E710 A712 T716 | E710-V714 WeakPolarHBondContact O-CB 3.48Å; E710-V714 WeakPolarHBondContact O-CG2 3.42Å; E710-V714 PolarHBondContact O-N 3.5Å; A712-V714 PolarHBondContact O-N 3.44Å; V714-T716 VanDerWaalsContact C-N 3.31Å |
| 715 | S | 44.2 | Very low | 46.9 | Very low | 102 Ų | 102 | 106.2 Ų | 106.2 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -78.4 | -12.6 | 173.8 | -54 | 0 | 0 | 0 | 0 | 113.5 | L711 A712 V713 | L711-S715 WeakPolarHBondContact O-CB 3.48Å; L711-S715 PolarHBondContact O-N 3.16Å; L711-S715 PolarHBondContact O-OG 3.37Å; A712-S715 CarbonylContact O-C 3.56Å; A712-S715 WeakPolarHBondContact O-CA 3.39Å; A712-S715 WeakPolarHBondContact O-CB 3.31Å; A712-S715 PolarHBondContact O-N 3.03Å; A712-S715 VanDerWaalsContact O-N 3.07Å; V713-S715 VanDerWaalsContact C-N 3.29Å; V713-S715 PolarHBondContact O-N 2.91Å |
| 716 | T | 40.8 | Very low | 44.9 | Very low | 103 Ų | 103 | 109 Ų | 109 | 63% | 0.632 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 63.5 | 174.3 | 64 | 0 | 0 | 0 | 0 | 110.6 | A712 V713 V714 | A712-T716 PolarHBondContact O-N 2.91Å; A712-T716 PolarHBondContact O-OG1 3.2Å; V713-T716 CarbonylContact O-C 3.53Å; V713-T716 VanDerWaalsContact O-C 3.24Å; V713-T716 PolarHBondContact O-N 3.3Å; V714-T716 VanDerWaalsContact C-N 3.31Å |
| 717 | G | 30.8 | Very low | 43.2 | Very low | 54 Ų | 54 | 107.9 Ų | 107.9 | 56% | 0.557 | 66% | 0.659 | S | S | * | * | trans | -54.6 | 147.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | A719 | G717-A719 PolarHBondContact O-N 3.47Š| ||
| 718 | P | 35.5 | Very low | 41.6 | Very low | 128 Ų | 128 | 104.6 Ų | 104.6 | 83% | 0.831 | 66% | 0.66 | S | S | * | * | trans | -71.9 | 99.1 | -166.2 | 28.2 | -35.4 | 0 | 0 | 0 | 112.5 | S720 | P718-S720 PolarHBondContact O-N 2.95Š| ||
| 719 | A | 30.5 | Very low | 39.9 | Very low | 92 Ų | 92 | 108.8 Ų | 108.8 | 76% | 0.76 | 67% | 0.674 | S | S | * | * | trans | -73.2 | 111 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G717 T721 | G717-A719 PolarHBondContact O-N 3.47Å; A719-T721 PolarHBondContact O-N 3.44Å; A719-T721 VanDerWaalsContact O-N 3.13Å | ||
| 720 | S | 34 | Very low | 38 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | trans | -69.2 | 103.9 | -176.6 | -55.5 | 0 | 0 | 0 | 0 | 112.6 | P718 | P718-S720 PolarHBondContact O-N 2.95Š| ||
| 721 | T | 35.6 | Very low | 36.6 | Very low | 135 Ų | 135 | 108.9 Ų | 108.9 | 83% | 0.828 | 69% | 0.688 | S | S | * | * | trans | -131.8 | 131 | 161 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | A719 | A719-T721 PolarHBondContact O-N 3.44Å; A719-T721 VanDerWaalsContact O-N 3.13Å | ||
| 722 | S | 32.3 | Very low | 35.1 | Very low | 108 Ų | 108 | 112 Ų | 112 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -75.1 | 161.5 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 723 | V | 32.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 75% | 0.752 | 72% | 0.723 | S | S | * | * | trans | -29.4 | 149.1 | 145 | -70.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 724 | C | 27.2 | Very low | 32.8 | Very low | 110 Ų | 110 | 116 Ų | 116 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | cis | -162.6 | 169.5 | 2.5 | -124.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 725 | S | 30.2 | Very low | 31.9 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | 61.3 | 99.4 | 145.1 | -58.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 726 | I | 27.3 | Very low | 31.3 | Very low | 154 Ų | 154 | 119.8 Ų | 119.8 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | 42.2 | 115.8 | 112.4 | -50.9 | 155.1 | 0 | 0 | 0 | 118.3 | |||||
| 727 | T | 30.8 | Very low | 31 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | -177.1 | 147.5 | 110.2 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 728 | T | 29.1 | Very low | 31.1 | Very low | 113 Ų | 113 | 121 Ų | 121 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | trans | -78.7 | 140.6 | 179.2 | -39.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 729 | M | 29.1 | Very low | 30.9 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 64% | 0.64 | 71% | 0.713 | S | S | * | * | 162.1 | 108.7 | 122.4 | -85.6 | -59.8 | 178.8 | 0 | 0 | 115 | A162 | A162-M729 HydrophobicContact CB-CE 3.87Š| |||
| 730 | N | 28.4 | Very low | 30.9 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | 67.4 | 159.2 | 133.7 | -144.2 | 5.9 | 0 | 0 | 0 | 122.5 | ||||
| 731 | T | 29.5 | Very low | 30.8 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 61% | 0.613 | 70% | 0.704 | S | S | * | * | trans | 62.7 | 101.7 | 162.8 | 41.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 732 | Q | 31.1 | Very low | 30.6 | Very low | 174 Ų | 174 | 121.4 Ų | 121.4 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | 76.8 | 102.1 | 128.1 | -65.6 | 175.8 | -5.8 | 0 | 0 | 121.3 | |||||
| 733 | S | 29.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | 78.4 | 113.8 | 119.2 | -53.2 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 734 | S | 31.6 | Very low | 30.6 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | 72.6 | 120.4 | 138.5 | -56.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 735 | L | 29.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | 62.1 | 128.1 | 72.4 | -59.7 | 167.5 | 0 | 0 | 0 | 111.5 | |||||
| 736 | L | 32.9 | Very low | 31 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | cis | -143.6 | -175 | 26.8 | -75.3 | 175.1 | 0 | 0 | 0 | 110.8 | ||||
| 737 | N | 33.8 | Very low | 31.2 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 39% | 0.385 | 72% | 0.716 | S | S | . | * | cis | 147 | 179 | -20.3 | -154.4 | -0.8 | 0 | 0 | 0 | 109.2 | A826 S827 N828 | N737-A826 PolarHBondContact ND2-O 3.06Å; N737-A826 PolarHBondContact OD1-O 3.22Å; N737-S827 PolarHBondContact ND2-N 3.43Å; N737-S827 WeakPolarHBondContact OD1-CA 3.46Å; N737-S827 PolarHBondContact OD1-N 3.18Å; N737-S827 PolarHBondContact OD1-O 3.32Å; N737-N828 PolarHBondContact OD1-N 2.74Å; N737-N828 VanDerWaalsContact OD1-N 3.15Å | ||
| 738 | L | 32 | Very low | 31.3 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | trans | 75.6 | 149.9 | 175.1 | -76.7 | 83.2 | 0 | 0 | 0 | 118.5 | A826 S827 | L738-A826 HydrophobicContact CD1-CB 4.29Å; L738-A826 VanDerWaalsContact CD1-O 3.24Å; L738-A826 WeakPolarHBondContact CD1-O 3.34Å; L738-A826 HydrophobicContact CG-CB 4.26Å; L738-A826 WeakPolarHBondContact CG-O 3.34Å; L738-A826 PolarHBondContact N-O 3.44Å; L738-S827 VanDerWaalsContact CA-O 3.31Å; L738-S827 WeakPolarHBondContact CA-O 3.49Å; L738-S827 PolarHBondContact N-O 3.5Å | ||
| 739 | K | 32.9 | Very low | 31.5 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 58% | 0.578 | 71% | 0.709 | S | S | * | * | cis | -172.4 | 154.4 | -20.6 | -169.5 | 70.1 | 169.9 | -165.1 | 0 | 110.6 | A826 S827 | K739-A826 HydrophobicContact CD-CB 4.22Å; K739-S827 VanDerWaalsContact CD-OG 3.25Å; K739-S827 WeakPolarHBondContact CD-OG 3.18Å; K739-S827 PolarHBondContact NZ-OG 2.89Å | ||
| 740 | G | 30.7 | Very low | 31.7 | Very low | 53 Ų | 53 | 119.8 Ų | 119.8 | 55% | 0.546 | 72% | 0.715 | S | S | . | * | trans | 100.6 | 157.3 | 163 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 741 | C | 31.6 | Very low | 32 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 87% | 0.865 | 71% | 0.709 | S | S | * | * | cis | -145.2 | 132 | -1.4 | -76.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 742 | N | 31.3 | Very low | 32.1 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | trans | -0.2 | 141.1 | 154.2 | -55.5 | -12.7 | 0 | 0 | 0 | 123.7 | ||||
| 743 | G | 32.1 | Very low | 32 | Very low | 70 Ų | 70 | 121.8 Ų | 121.8 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 125.6 | 147.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 744 | S | 33.1 | Very low | 32.1 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | cis | -166.1 | 157.4 | -11.7 | -71.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 745 | Q | 33.2 | Very low | 31.9 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | 69.3 | 152.1 | 166 | -46.5 | -169.3 | 22.5 | 0 | 0 | 116.4 | ||||
| 746 | S | 30.9 | Very low | 32.1 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | cis | -166.6 | 144.6 | -19.1 | -104.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 747 | L | 32.4 | Very low | 31.6 | Very low | 166 Ų | 166 | 126.2 Ų | 126.2 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | 61.9 | 141 | 153 | -58.7 | 168.9 | 0 | 0 | 0 | 118.5 | ||||
| 748 | S | 33 | Very low | 31.5 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | cis | -163.6 | 137.1 | -9.5 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 749 | G | 32.6 | Very low | 31.3 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | trans | 57.6 | 167.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 750 | D | 33.8 | Very low | 31.2 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | cis | -169.1 | 159 | -17.7 | -87.1 | -35.7 | 0 | 0 | 0 | 105.5 | ||||
| 751 | N | 33.5 | Very low | 31.1 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | cis | -151.8 | 160 | -21 | -122.2 | -47.4 | 0 | 0 | 0 | 109.3 | ||||
| 752 | Q | 33.3 | Very low | 31.2 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 12.5 | 119.6 | 150.2 | -68.3 | 172.9 | 69.1 | 0 | 0 | 119.6 | ||||
| 753 | H | 28.7 | Very low | 31.1 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | 54.3 | 112.3 | 97.1 | -84.8 | -127 | 0 | 0 | 0 | 115.8 | |||||
| 754 | S | 30.3 | Very low | 30.9 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | 175.1 | 150.1 | 118.6 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 755 | N | 28.4 | Very low | 30.9 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 68 | 159.9 | 144.6 | -63.6 | -18.2 | 0 | 0 | 0 | 124 | ||||
| 756 | H | 33.3 | Very low | 30.6 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 87.2 | 118.1 | 145.8 | -104.8 | -77.7 | 0 | 0 | 0 | 122.6 | ||||
| 757 | F | 23.4 | Very low | 30.4 | Very low | 193 Ų | 193 | 141 Ų | 141 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -66.1 | 128.3 | 145.6 | -84.2 | -112.1 | 0 | 0 | 0 | 109.5 | ||||
| 758 | Q | 30.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | -176.1 | 120.6 | 148.2 | -97.3 | 177.1 | -39.8 | 0 | 0 | 104.4 | ||||
| 759 | S | 28.5 | Very low | 30.1 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 51% | 0.51 | 74% | 0.742 | S | S | . | * | 75.1 | 139.7 | 62.1 | 81.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 760 | H | 31.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 71.8 | 121.2 | 178.4 | -39.5 | -57.4 | 0 | 0 | 0 | 113.1 | ||||
| 761 | L | 28.2 | Very low | 30.2 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | 52.2 | 107.1 | 77.5 | -74.2 | 164.8 | 0 | 0 | 0 | 112.5 | |||||
| 762 | L | 33 | Very low | 30.1 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | -179 | 178.4 | 129.4 | -98.5 | 162.3 | 0 | 0 | 0 | 112.5 | |||||
| 763 | N | 28.8 | Very low | 30.1 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | -57.9 | 164.1 | 178.5 | -49.9 | -26.9 | 0 | 0 | 0 | 112.7 | ||||
| 764 | G | 28.3 | Very low | 30.2 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | cis | 108.7 | 71 | 5.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 765 | T | 34.2 | Very low | 30.3 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | trans | -154.1 | 138.1 | 159.9 | 39.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 766 | Y | 26.2 | Very low | 30.5 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | 91.2 | 134.2 | 47.2 | -117 | -68.8 | 0 | 0 | 0 | 114.1 | ||||
| 767 | F | 26.5 | Very low | 30.5 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | 64.9 | 154.3 | 178.8 | -61.6 | -73 | 0 | 0 | 0 | 114.7 | ||||
| 768 | D | 30.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -152.9 | 169 | 9.5 | -129.2 | -11.4 | 0 | 0 | 0 | 107.9 | ||||
| 769 | S | 29.5 | Very low | 30.9 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | cis | -164.6 | -176 | -10.4 | -143.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 770 | A | 35 | Very low | 30.9 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 71.1 | 143.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 771 | Q | 33.7 | Very low | 31 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -156 | 125.6 | -8 | -124.3 | 169.4 | 10.1 | 0 | 0 | 113.3 | ||||
| 772 | T | 31.2 | Very low | 31 | Very low | 107 Ų | 107 | 128 Ų | 128 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | trans | 57.7 | 151.6 | 138 | 52.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 773 | N | 31.6 | Very low | 30.9 | Very low | 163 Ų | 163 | 124.1 Ų | 124.1 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | 85 | 124 | 165.7 | -47.1 | -31.8 | 0 | 0 | 0 | 116.6 | ||||
| 774 | G | 32.4 | Very low | 31 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | cis | 152.3 | 99.8 | -15.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 775 | C | 31 | Very low | 31.2 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | -163 | 123.1 | 151.3 | 42.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 776 | E | 32.9 | Very low | 30.9 | Very low | 175 Ų | 175 | 121.6 Ų | 121.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | 61.1 | 119.4 | 96.3 | -61.6 | 168.5 | 170.4 | 0 | 0 | 111.1 | |||||
| 777 | D | 34 | Very low | 31.1 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | cis | -164.6 | 163.8 | 17.4 | -109.8 | 1.7 | 0 | 0 | 0 | 110.1 | ||||
| 778 | V | 32 | Very low | 31.5 | Very low | 107 Ų | 107 | 114.7 Ų | 114.7 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | cis | -159.9 | 157.6 | -23.6 | 92.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 779 | I | 29.9 | Very low | 31.5 | Very low | 147 Ų | 147 | 115 Ų | 115 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -0.4 | 140.1 | 146.6 | -62.3 | 165.5 | 0 | 0 | 0 | 116.8 | ||||
| 780 | S | 29.6 | Very low | 31.6 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -139.4 | 156.9 | 3.2 | -135.2 | 0 | 0 | 0 | 0 | 107.5 | D782 | S780-D782 PolarHBondContact OG-OD2 3.1Å; S780-D782 VanDerWaalsContact OG-OD2 3.13Å | ||
| 781 | G | 31.6 | Very low | 31.5 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | 102.8 | 170.6 | 68.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 782 | D | 30 | Very low | 31.5 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | cis | -137.5 | -174.6 | -0.3 | -129.4 | -64.8 | 0 | 0 | 0 | 111.5 | S780 | S780-D782 PolarHBondContact OG-OD2 3.1Å; S780-D782 VanDerWaalsContact OG-OD2 3.13Å | ||
| 783 | A | 30.4 | Very low | 31.5 | Very low | 81 Ų | 81 | 115 Ų | 115 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -38 | 154.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 784 | S | 30.9 | Very low | 31.3 | Very low | 102 Ų | 102 | 112.5 Ų | 112.5 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | -175 | 150.6 | 50.5 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 785 | A | 31.5 | Very low | 31.2 | Very low | 95 Ų | 95 | 112.4 Ų | 112.4 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | 57.4 | 160.9 | 130.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 786 | C | 28.9 | Very low | 31.2 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | cis | -150.5 | 157.9 | 16.3 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 787 | N | 30.9 | Very low | 31.1 | Very low | 146 Ų | 146 | 112.1 Ų | 112.1 | 78% | 0.781 | 71% | 0.707 | S | S | * | * | trans | 32.8 | 98.9 | 134.9 | -51.7 | -12 | 0 | 0 | 0 | 118 | ||||
| 788 | G | 33.5 | Very low | 30.9 | Very low | 76 Ų | 76 | 111.3 Ų | 111.3 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | trans | -160.2 | 58.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 789 | N | 30.5 | Very low | 30.8 | Very low | 143 Ų | 143 | 112.1 Ų | 112.1 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | 57.8 | 114.4 | 64.8 | -138.7 | 52.2 | 0 | 0 | 0 | 109.6 | |||||
| 790 | S | 32.9 | Very low | 30.7 | Very low | 82 Ų | 82 | 109.2 Ų | 109.2 | 57% | 0.573 | 70% | 0.696 | S | S | * | * | cis | -169.5 | -159.1 | 3.2 | 45.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 791 | S | 32.2 | Very low | 30.6 | Very low | 73 Ų | 73 | 115.4 Ų | 115.4 | 51% | 0.51 | 71% | 0.705 | S | S | . | * | trans | 55.1 | 111.3 | 143.4 | 48.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 792 | N | 34.1 | Very low | 30.5 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | cis | -137.4 | 145.7 | 32.2 | -70.9 | -54.4 | 0 | 0 | 0 | 111.1 | ||||
| 793 | Q | 29.8 | Very low | 30.3 | Very low | 158 Ų | 158 | 119.6 Ų | 119.6 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | 61.8 | 142.8 | 52.6 | -54 | -180 | 20.7 | 0 | 0 | 111.3 | |||||
| 794 | C | 27.4 | Very low | 30.1 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | cis | -119 | 162.3 | 14.7 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 795 | A | 30.6 | Very low | 30.2 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | 35.7 | 128.3 | 103.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 796 | L | 32.6 | Very low | 30.3 | Very low | 155 Ų | 155 | 121.2 Ų | 121.2 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | cis | -119.5 | 155.4 | 46.9 | -65.2 | 167.3 | 0 | 0 | 0 | 111.5 | ||||
| 797 | N | 29.3 | Very low | 30.2 | Very low | 122 Ų | 122 | 125 Ų | 125 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | 58.6 | 142.1 | 51.3 | -61.3 | 7.3 | 0 | 0 | 0 | 111.6 | |||||
| 798 | N | 30.5 | Very low | 30 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 66% | 0.658 | 69% | 0.688 | S | S | * | * | cis | -157.6 | 177.6 | -6.9 | -121 | 31.4 | 0 | 0 | 0 | 108.6 | ||||
| 799 | D | 29.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | 46.4 | 114.2 | 144.5 | -73.7 | -56.7 | 0 | 0 | 0 | 120.6 | ||||
| 800 | S | 28.9 | Very low | 29.9 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 59% | 0.594 | 69% | 0.687 | S | S | * | * | 84.3 | 106.5 | 71.4 | -67.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 801 | R | 27.4 | Very low | 29.6 | Very low | 221 Ų | 221 | 126.6 Ų | 126.6 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | trans | 70 | 166.1 | 143.7 | -55.9 | 174.4 | 177.4 | -171.1 | -1.5 | 118.2 | ||||
| 802 | M | 29 | Very low | 29.3 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | 76.7 | 151.8 | 162.3 | -56.3 | -51.1 | -168.4 | 0 | 0 | 117.8 | ||||
| 803 | L | 26.2 | Very low | 28.8 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | 44.8 | 99.6 | 139.5 | -66.1 | 169.1 | 0 | 0 | 0 | 116.4 | ||||
| 804 | T | 26 | Very low | 28.5 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | 56.5 | 98.3 | 98.8 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 805 | T | 31.7 | Very low | 28.4 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | 61.8 | -175 | 126 | 69.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 806 | P | 33.3 | Very low | 28.2 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 56% | 0.558 | 68% | 0.68 | S | S | * | * | cis | -99.7 | -168.6 | -40.9 | 8.3 | 14.8 | 0 | 0 | 0 | 108.1 | ||||
| 807 | F | 27.5 | Very low | 27.8 | Very low | 181 Ų | 181 | 131 Ų | 131 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | cis | -149.4 | 150.5 | 28.3 | -66.6 | -94.3 | 0 | 0 | 0 | 106.7 | ||||
| 808 | S | 27.5 | Very low | 27.8 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 49% | 0.49 | 68% | 0.679 | S | S | . | * | 48.3 | 129.2 | 68.7 | -57 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 809 | L | 30.5 | Very low | 27.9 | Very low | 159 Ų | 159 | 128 Ų | 128 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | S | Bend | cis | -120.3 | 152.2 | 24.3 | -56.3 | 99.5 | 0 | 0 | 0 | 110.6 | ||
| 810 | N | 31.4 | Very low | 28 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | cis | -136.8 | 143.1 | 10 | -101 | -24.4 | 0 | 0 | 0 | 107.7 | G812 | N810-G812 VanDerWaalsContact C-N 3.35Å; N810-G812 VanDerWaalsContact CB-N 3.29Å | ||
| 811 | N | 27 | Very low | 28.2 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 64% | 0.642 | 69% | 0.687 | S | S | * | * | cis | 49.7 | 41.8 | 4.4 | -79.7 | 2.3 | 0 | 0 | 0 | 116 | H813 | N811-H813 WeakPolarHBondContact O-CB 3.23Š| ||
| 812 | G | 26.1 | Very low | 28.4 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -101.9 | 63.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | N810 | N810-G812 VanDerWaalsContact C-N 3.35Å; N810-G812 VanDerWaalsContact CB-N 3.29Å | ||
| 813 | H | 22.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | 59 | 116.9 | 66.2 | -172.5 | -124.1 | 0 | 0 | 0 | 110.8 | N811 | N811-H813 WeakPolarHBondContact O-CB 3.23Š| |||
| 814 | F | 23.3 | Very low | 28.9 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 68% | 0.684 | 68% | 0.675 | S | S | * | * | trans | 63.9 | 138.2 | -177.8 | -62 | -33.8 | 0 | 0 | 0 | 114.9 | ||||
| 815 | N | 25.3 | Very low | 29.2 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | cis | -165.1 | 175.5 | -9 | -133.7 | -25.5 | 0 | 0 | 0 | 109.1 | ||||
| 816 | H | 26.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 114.5 Ų | 114.5 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | trans | 68.9 | 134.2 | 144.7 | -73.7 | -21.7 | 0 | 0 | 0 | 117.4 | ||||
| 817 | R | 25 | Very low | 29.1 | Very low | 210 Ų | 210 | 112.2 Ų | 112.2 | 79% | 0.792 | 63% | 0.634 | S | S | * | * | 59.9 | 95.3 | 64.4 | -180 | -157.5 | -169.9 | -99.5 | 2 | 109 | |||||
| 818 | S | 29.8 | Very low | 29.3 | Very low | 91 Ų | 91 | 108.2 Ų | 108.2 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | cis | -159.4 | -146.2 | 13.7 | -81.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 819 | S | 31.7 | Very low | 29.4 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | 64.1 | 118.5 | 118.4 | 62.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 820 | T | 32.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 108.9 Ų | 108.9 | 73% | 0.73 | 63% | 0.627 | S | S | * | * | cis | -168.8 | -179.8 | 9.1 | 3.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 821 | T | 31.9 | Very low | 29.3 | Very low | 118 Ų | 118 | 111.6 Ų | 111.6 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | trans | 46.7 | 127.1 | 142.6 | 55.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 822 | S | 32.1 | Very low | 29.3 | Very low | 90 Ų | 90 | 113.2 Ų | 113.2 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | cis | -174.9 | 171.1 | 2.5 | 44.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 823 | T | 33 | Very low | 29.4 | Very low | 105 Ų | 105 | 116 Ų | 116 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | trans | 45.3 | 96.4 | 141.1 | 56.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 824 | D | 33.2 | Very low | 29.8 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 82% | 0.824 | 65% | 0.653 | S | S | * | * | 92.7 | 159.9 | 90.2 | -75.3 | -45.9 | 0 | 0 | 0 | 111.3 | |||||
| 825 | G | 31.4 | Very low | 30.3 | Very low | 57 Ų | 57 | 114.7 Ų | 114.7 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | cis | -156.7 | 142.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 826 | A | 32.6 | Very low | 30.5 | Very low | 27 Ų | 27 | 120.2 Ų | 120.2 | 22% | 0.223 | 67% | 0.672 | C | S | . | * | 97.6 | 57.1 | 73.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N737 L738 K739 | N737-A826 PolarHBondContact ND2-O 3.06Å; N737-A826 PolarHBondContact OD1-O 3.22Å; L738-A826 HydrophobicContact CD1-CB 4.29Å; L738-A826 VanDerWaalsContact CD1-O 3.24Å; L738-A826 WeakPolarHBondContact CD1-O 3.34Å; L738-A826 HydrophobicContact CG-CB 4.26Å; L738-A826 WeakPolarHBondContact CG-O 3.34Å; L738-A826 PolarHBondContact N-O 3.44Å; K739-A826 HydrophobicContact CD-CB 4.22Å | |||
| 827 | S | 31.5 | Very low | 30.6 | Very low | 39 Ų | 39 | 119.4 Ų | 119.4 | 27% | 0.273 | 68% | 0.678 | S | S | . | * | 49.1 | 133.5 | 115.7 | 71.1 | 0 | 0 | 0 | 0 | 122.7 | N737 L738 K739 | N737-S827 PolarHBondContact ND2-N 3.43Å; N737-S827 WeakPolarHBondContact OD1-CA 3.46Å; N737-S827 PolarHBondContact OD1-N 3.18Å; N737-S827 PolarHBondContact OD1-O 3.32Å; L738-S827 VanDerWaalsContact CA-O 3.31Å; L738-S827 WeakPolarHBondContact CA-O 3.49Å; L738-S827 PolarHBondContact N-O 3.5Å; K739-S827 VanDerWaalsContact CD-OG 3.25Å; K739-S827 WeakPolarHBondContact CD-OG 3.18Å; K739-S827 PolarHBondContact NZ-OG 2.89Å | |||
| 828 | N | 30.7 | Very low | 30.9 | Very low | 97 Ų | 97 | 115.7 Ų | 115.7 | 52% | 0.519 | 68% | 0.678 | S | S | . | * | trans | 98.8 | 157.3 | 143.7 | -56.8 | -12.8 | 0 | 0 | 0 | 120.4 | N737 | N737-N828 PolarHBondContact OD1-N 2.74Å; N737-N828 VanDerWaalsContact OD1-N 3.15Å | ||
| 829 | G | 29.9 | Very low | 30.9 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | trans | 112.1 | 95.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 830 | F | 29 | Very low | 30.6 | Very low | 176 Ų | 176 | 119.6 Ų | 119.6 | 77% | 0.772 | 69% | 0.687 | S | S | * | * | cis | 68.7 | 85.4 | 15.8 | -79.5 | -62.9 | 0 | 0 | 0 | 117.8 | ||||
| 831 | Q | 30.1 | Very low | 30.5 | Very low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -165.8 | 126 | 130 | -111.2 | 157.5 | -13.9 | 0 | 0 | 108.2 | ||||
| 832 | M | 28.6 | Very low | 30.4 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | cis | 72 | 101.6 | 49 | -67.5 | -73.4 | -147.4 | 0 | 0 | 114.6 | ||||
| 833 | C | 28.2 | Very low | 30.1 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -150.7 | 85 | 145.6 | -100 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 834 | I | 29.8 | Very low | 30 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 67% | 0.672 | 71% | 0.705 | S | S | * | * | 77.6 | 111.7 | 103.6 | -68.9 | 162.4 | 0 | 0 | 0 | 113.2 | |||||
| 835 | P | 34.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -87.4 | 147.1 | 170.4 | 35.3 | -33.1 | 0 | 0 | 0 | 112.3 | ||||
| 836 | R | 29 | Very low | 30.1 | Very low | 222 Ų | 222 | 128.8 Ų | 128.8 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -155.1 | 147.4 | 163.7 | -74.7 | -165.8 | -179.4 | 169.6 | 0.3 | 108 | ||||
| 837 | T | 29 | Very low | 29.8 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | cis | -160.6 | 158.1 | -18.4 | 15.4 | 0 | 0 | 0 | 0 | 106.1 | Q839 | T837-Q839 PolarHBondContact O-N 3.36Š| ||
| 838 | V | 30.9 | Very low | 29.7 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -60.8 | 123.2 | 177.1 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 839 | Q | 30.5 | Very low | 29.6 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -137.3 | 113.8 | 146 | -70.8 | -171.2 | -33.6 | 0 | 0 | 105.8 | T837 | T837-Q839 PolarHBondContact O-N 3.36Š| ||
| 840 | S | 25.9 | Very low | 29.6 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | 71.9 | 77.6 | 65 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 841 | F | 29.9 | Very low | 29.8 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | -131.4 | 121.6 | 155.6 | -78.1 | -70.3 | 0 | 0 | 0 | 110.1 | ||||
| 842 | D | 28.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | -83.2 | 166.4 | -177 | -149.2 | -32.5 | 0 | 0 | 0 | 111.1 | ||||
| 843 | L | 26.7 | Very low | 30 | Very low | 170 Ų | 170 | 138 Ų | 138 | 89% | 0.89 | 74% | 0.742 | S | S | * | * | trans | -122.1 | 65.9 | 177.6 | -76.5 | 175.7 | 0 | 0 | 0 | 111.9 | ||||
| 844 | S | 30.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | trans | -130 | 113.1 | 166.6 | 56.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 845 | L | 30.6 | Very low | 30 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | 61.7 | 144.9 | 88 | -88.7 | 83.9 | 0 | 0 | 0 | 114.5 | |||||
| 846 | P | 35.2 | Very low | 29.8 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | cis | -136.5 | -163.1 | -24.7 | 39.5 | -20.6 | 0 | 0 | 0 | 112.4 | ||||
| 847 | N | 27.8 | Very low | 30.1 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 71 | 155.1 | 162.9 | -66.9 | 29.5 | 0 | 0 | 0 | 116.5 | ||||
| 848 | D | 28.8 | Very low | 30.1 | Very low | 105 Ų | 105 | 136 Ų | 136 | 56% | 0.561 | 75% | 0.751 | S | S | * | * | cis | -155.2 | 168.3 | -1 | -130.3 | -38.6 | 0 | 0 | 0 | 114.6 | ||||
| 849 | F | 29.1 | Very low | 30.1 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | 62.2 | 124.3 | 157.9 | -66.3 | -56 | 0 | 0 | 0 | 124.9 | ||||
| 850 | L | 28.7 | Very low | 30.1 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 67.3 | 124.4 | 137.7 | -62 | 172.5 | 0 | 0 | 0 | 118.7 | ||||
| 851 | T | 33.9 | Very low | 30.3 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 69% | 0.693 | 77% | 0.767 | S | S | * | * | cis | -164.9 | 165.1 | 28.4 | 28.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 852 | N | 32.8 | Very low | 30.4 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | 51.4 | 112.5 | 153.3 | -64.4 | -8.1 | 0 | 0 | 0 | 120 | ||||
| 853 | I | 29.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 94.1 | 123.3 | 64.3 | -76.6 | 171 | 0 | 0 | 0 | 114.2 | |||||
| 854 | N | 30.6 | Very low | 30.9 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 62.4 | 94.1 | 158.3 | -64.5 | -11.7 | 0 | 0 | 0 | 123.8 | ||||
| 855 | R | 27.2 | Very low | 30.8 | Very low | 237 Ų | 237 | 133.6 Ų | 133.6 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | 49.1 | 91.1 | 105.9 | -161.4 | -169.4 | -148.3 | -153.1 | 6.3 | 121.8 | |||||
| 856 | A | 29.8 | Very low | 30.6 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 179.6 | 138.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 857 | P | 35.8 | Very low | 30.1 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | cis | -128.3 | 164.1 | -13.6 | 40.8 | -26.1 | 0 | 0 | 0 | 115.4 | ||||
| 858 | G | 28.4 | Very low | 30 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | 67.2 | -175.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 859 | S | 31.4 | Very low | 30.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | cis | -149.8 | -179 | -21.7 | 63.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 860 | N | 30 | Very low | 30.3 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -63.9 | 141.4 | -166.8 | -73.5 | -39.8 | 0 | 0 | 0 | 114.9 | ||||
| 861 | L | 31.7 | Very low | 31.1 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | -65.8 | 149.2 | 173 | -68.7 | 166.9 | 0 | 0 | 0 | 112.7 | ||||
| 862 | V | 31.1 | Very low | 31.3 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | -111.5 | 123.2 | 138.8 | 174.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 863 | S | 32.4 | Very low | 31.3 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | trans | 0.3 | 137.1 | 155.5 | -36.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 864 | D | 33.8 | Very low | 31.6 | Very low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | 175.2 | 124.4 | 103.8 | -84.4 | -22.6 | 0 | 0 | 0 | 110.8 | |||||
| 865 | I | 28.9 | Very low | 31.9 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | 81.7 | 117.8 | 106.6 | -62.5 | 171.3 | 0 | 0 | 0 | 115.5 | |||||
| 866 | W | 25 | Very low | 32.2 | Very low | 226 Ų | 226 | 126.7 Ų | 126.7 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | 1.6 | 152 | 153.2 | -74.2 | 62.6 | 0 | 0 | 0 | 122.1 | ||||
| 867 | N | 25.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | trans | 87.5 | 105.9 | 146.9 | -75.6 | -26.1 | 0 | 0 | 0 | 121.2 | ||||
| 868 | S | 25.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 89.7 | 163.4 | 117.1 | -62.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 869 | V | 30.3 | Very low | 32.5 | Very low | 140 Ų | 140 | 129 Ų | 129 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | trans | 82.7 | 93 | 169.7 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 870 | A | 34.1 | Very low | 32.5 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | trans | -80.3 | -164.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 871 | P | 45 | Very low | 32.5 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | cis | -127.7 | -140.3 | 2.2 | 31.5 | -3.2 | 0 | 0 | 0 | 109 | ||||
| 872 | P | 38.7 | Very low | 32.4 | Very low | 88 Ų | 88 | 120.4 Ų | 120.4 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | cis | -146.4 | 175 | -1.6 | 46.1 | -27 | 0 | 0 | 0 | 120.1 | ||||
| 873 | F | 32.4 | Very low | 32.3 | Very low | 193 Ų | 193 | 122.3 Ų | 122.3 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | trans | 69.6 | 143 | 154 | -63.5 | -45.3 | 0 | 0 | 0 | 118.7 | ||||
| 874 | T | 35.4 | Very low | 32.1 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | cis | -143.1 | 158.6 | 3.6 | 37.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 875 | S | 36.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | 57.5 | 120 | 152.1 | 51.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 876 | V | 34.4 | Very low | 32 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | cis | 67.7 | 133.1 | 22.8 | -165.6 | 0 | 0 | 0 | 0 | 112.3 | T878 | V876-T878 HydrophobicContact CG1-CG2 4.48Š| ||
| 877 | P | 34.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | cis | -113.2 | 158.5 | 23.5 | 10.7 | 15.2 | 0 | 0 | 0 | 115.6 | ||||
| 878 | T | 32.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | 57.3 | 128.5 | 70.7 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | V876 | V876-T878 HydrophobicContact CG1-CG2 4.48Š| |||
| 879 | D | 34.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 120 Ų | 120 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | -153.4 | 154.6 | 58.5 | -93.3 | -90 | 0 | 0 | 0 | 111.3 | |||||
| 880 | S | 31.5 | Very low | 32.4 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | 73.5 | 143.1 | 58.3 | 120.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 881 | S | 30 | Very low | 32.1 | Very low | 92 Ų | 92 | 119.7 Ų | 119.7 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | cis | -166.3 | 145.4 | -8.4 | 39.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 882 | S | 28.7 | Very low | 31.3 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | trans | 69.8 | 166.7 | 143.8 | 80 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 883 | Q | 28.2 | Very low | 31 | Very low | 161 Ų | 161 | 120.3 Ų | 120.3 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | 71.6 | 143.8 | 155.4 | -66.3 | 177.4 | 86 | 0 | 0 | 118 | ||||
| 884 | L | 28.9 | Very low | 30.9 | Very low | 126 Ų | 126 | 118 Ų | 118 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | cis | -155.6 | 159.2 | -9 | -101.9 | 160.8 | 0 | 0 | 0 | 109.5 | ||||
| 885 | H | 29.1 | Very low | 30.7 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | 48 | 140.9 | 151.2 | -81.3 | 77.6 | 0 | 0 | 0 | 122.5 | ||||
| 886 | G | 31.3 | Very low | 30.4 | Very low | 75 Ų | 75 | 119.3 Ų | 119.3 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | trans | 171.1 | 84.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | V888 | G886-V888 PolarHBondContact O-N 3.47Š| ||
| 887 | Y | 31 | Very low | 30.3 | Very low | 206 Ų | 206 | 120 Ų | 120 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | trans | -43.4 | 125.3 | 166.7 | -78 | -96.3 | 0 | 0 | 0 | 112.8 | ||||
| 888 | V | 26.7 | Very low | 30.3 | Very low | 134 Ų | 134 | 122 Ų | 122 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | 75.5 | 121 | 80.9 | 169 | 0 | 0 | 0 | 0 | 114.4 | G886 | G886-V888 PolarHBondContact O-N 3.47Š| |||
| 889 | G | 29.5 | Very low | 30.3 | Very low | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | trans | 92.7 | 162.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 890 | S | 28.9 | Very low | 30.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | cis | -175 | 148.2 | -21.3 | -107.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 891 | S | 27.2 | Very low | 30.3 | Very low | 105 Ų | 105 | 122.3 Ų | 122.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | trans | 60.4 | 132.6 | 156.5 | -59.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 892 | S | 28.6 | Very low | 30.4 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | 65.3 | 157.8 | 156.9 | 66.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 893 | T | 30.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | cis | -156.9 | 149.4 | 31.9 | 31.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 894 | L | 30.9 | Very low | 30.7 | Very low | 146 Ų | 146 | 121.5 Ų | 121.5 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | 67 | 158 | 152 | -59 | 161.2 | 0 | 0 | 0 | 116 | ||||
| 895 | N | 31.9 | Very low | 30.7 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | cis | -152.8 | 155.9 | -2.8 | -127.2 | -13.3 | 0 | 0 | 0 | 112 | ||||
| 896 | N | 30.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 24.4 | 140.6 | 136.7 | -58.3 | -11.3 | 0 | 0 | 0 | 120.1 | ||||
| 897 | I | 32.2 | Very low | 30.6 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | cis | -169.4 | 162.5 | 3.9 | -123.4 | 176.4 | 0 | 0 | 0 | 106.8 | ||||
| 898 | M | 34.1 | Very low | 30.5 | Very low | 151 Ų | 151 | 122.2 Ų | 122.2 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | cis | -137.7 | 172.5 | -1.3 | -110.5 | -165.9 | -69.9 | 0 | 0 | 106.6 | ||||
| 899 | N | 30.5 | Very low | 30.4 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | cis | 78.5 | 149.6 | 28.9 | -126.1 | 28 | 0 | 0 | 0 | 115.8 | ||||
| 900 | P | 35.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -121.3 | 158.4 | -7 | 42.4 | -29 | 0 | 0 | 0 | 116.9 | ||||
| 901 | S | 31.2 | Very low | 30.2 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 59.3 | 106.4 | 138.1 | 64.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 902 | S | 32.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | trans | -59.2 | 164.6 | 130.3 | -27.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 903 | P | 33.7 | Very low | 30.1 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | -156.6 | 142.7 | 77.9 | 40.5 | -19.9 | 0 | 0 | 0 | 119.1 | |||||
| 904 | S | 28.7 | Very low | 29.9 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | 51.9 | 141.4 | 128.7 | 85.9 | 0 | 0 | 0 | 0 | 125 | |||||
| 905 | R | 29.2 | Very low | 29.9 | Very low | 214 Ų | 214 | 130.1 Ų | 130.1 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | 97.7 | 129.3 | 132.4 | -91.3 | -177.9 | 170.9 | -169.1 | -2.5 | 121.1 | ||||
| 906 | N | 30.1 | Very low | 29.7 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | 58.3 | 117.1 | 146.7 | -55 | -5.6 | 0 | 0 | 0 | 117.3 | ||||
| 907 | G | 29.8 | Very low | 29.7 | Very low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | cis | 134.8 | 128 | 22 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 908 | N | 27.3 | Very low | 29.5 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | 58.8 | 117.3 | 164.5 | -55.8 | -8.5 | 0 | 0 | 0 | 115.7 | ||||
| 909 | S | 25.6 | Very low | 29.2 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | cis | 173.4 | -179.9 | 49 | 54 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 910 | I | 27.5 | Very low | 29.2 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 77.3 | 125.2 | 145.3 | -79.6 | 165.5 | 0 | 0 | 0 | 119.5 | ||||
| 911 | N | 27 | Very low | 28.7 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | 62 | 110.2 | 149.5 | -69.2 | 1.9 | 0 | 0 | 0 | 123.8 | ||||
| 912 | C | 25.6 | Very low | 28.8 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 72% | 0.716 | 75% | 0.754 | S | S | * | * | 76.7 | 144.6 | 112 | -61.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 913 | S | 28.4 | Very low | 28.5 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | 75.5 | 106 | 145.3 | -61.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 914 | N | 26 | Very low | 28.4 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | 53.8 | 86.5 | 129 | -59 | 0.7 | 0 | 0 | 0 | 118.6 | |||||
| 915 | R | 29.7 | Very low | 28.4 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | trans | -144.7 | 118.4 | 131.1 | -113.5 | 164.7 | -79 | -155.5 | -0.8 | 106.2 | ||||
| 916 | I | 28.4 | Very low | 28.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | 48.8 | 83.3 | 66.2 | -51 | 179.6 | 0 | 0 | 0 | 109.9 | |||||
| 917 | I | 31.6 | Very low | 28.7 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -110.1 | 95.8 | 146.2 | -63.7 | -179.7 | 0 | 0 | 0 | 105.8 | S919 | I917-S919 PolarHBondContact O-N 3.4Š| ||
| 918 | S | 26.9 | Very low | 28.7 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -72.7 | 114.2 | 165.1 | -56.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 919 | S | 27.3 | Very low | 28.9 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | trans | -160 | 107.3 | 159.8 | -89.2 | 0 | 0 | 0 | 0 | 112.3 | I917 | I917-S919 PolarHBondContact O-N 3.4Š| ||
| 920 | R | 30.5 | Very low | 29.1 | Very low | 219 Ų | 219 | 139.1 Ų | 139.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | 61.4 | 90.9 | 145.2 | -51.3 | 173.1 | -159.7 | -141.4 | -0.7 | 114.9 | ||||
| 921 | T | 26.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | 48.9 | 81.5 | 86.4 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 922 | L | 32.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | trans | -130.9 | 112 | 148.6 | -80.3 | 179.6 | 0 | 0 | 0 | 107.7 | ||||
| 923 | D | 26.8 | Very low | 29.7 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -62.2 | 150.2 | 173.6 | -51.1 | -90.8 | 0 | 0 | 0 | 110.7 | ||||
| 924 | N | 31.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -159 | 87.5 | 148.8 | -100.8 | -74.2 | 0 | 0 | 0 | 107.2 | ||||
| 925 | S | 28.1 | Very low | 30 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -60.3 | 131.8 | 167 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 926 | F | 32.1 | Very low | 29.9 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 77% | 0.772 | 76% | 0.76 | S | S | * | * | trans | -152.1 | 101.9 | 151.5 | -92.9 | -65.1 | 0 | 0 | 0 | 110.1 | ||||
| 927 | D | 33.4 | Very low | 30 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | trans | 49.2 | 92.1 | 149.2 | -51.7 | -31.9 | 0 | 0 | 0 | 118.9 | A929 | D927-A929 PolarHBondContact O-N 3.16Š| ||
| 928 | T | 29.3 | Very low | 29.9 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -69.4 | 84.4 | 141.4 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | I930 | T928-I930 PolarHBondContact O-N 3.44Š| ||
| 929 | A | 32.2 | Very low | 30.1 | Very low | 72 Ų | 72 | 151.3 Ų | 151.3 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 118.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D927 F931 | D927-A929 PolarHBondContact O-N 3.16Å; A929-F931 PolarHBondContact O-N 2.96Å | ||
| 930 | I | 30.5 | Very low | 30.6 | Very low | 153 Ų | 153 | 153 Ų | 153 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -66.8 | 120.3 | 174.2 | -62.5 | 171.9 | 0 | 0 | 0 | 107.8 | T928 N932 | T928-I930 PolarHBondContact O-N 3.44Å; I930-N932 HydrophobicContact CG2-CB 4.46Å; I930-N932 PolarHBondContact O-N 2.75Å | ||
| 931 | F | 33.6 | Very low | 30.6 | Very low | 187 Ų | 187 | 150.4 Ų | 150.4 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 73.4 | 173.2 | -76.1 | -73 | 0 | 0 | 0 | 111 | A929 F933 | A929-F931 PolarHBondContact O-N 2.96Å; F931-F933 PolarHBondContact O-N 3.02Å | ||
| 932 | N | 28.1 | Very low | 31 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | -82 | 101.8 | 172.9 | -168.9 | 24.6 | 0 | 0 | 0 | 109.5 | I930 S934 | I930-N932 HydrophobicContact CG2-CB 4.46Å; I930-N932 PolarHBondContact O-N 2.75Å; N932-S934 PolarHBondContact O-N 3.27Å | ||
| 933 | F | 30.1 | Very low | 30.8 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | trans | -70 | 95.7 | 176.1 | -80.2 | -83.1 | 0 | 0 | 0 | 110.2 | F931 | F931-F933 PolarHBondContact O-N 3.02Š| ||
| 934 | S | 27.2 | Very low | 31.2 | Very low | 81 Ų | 81 | 148.5 Ų | 148.5 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | trans | -151.4 | 46.9 | 179.4 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | N932 T936 | N932-S934 PolarHBondContact O-N 3.27Å; S934-T936 PolarHBondContact O-N 3.29Å; S934-T936 VanDerWaalsContact O-N 3.08Å | ||
| 935 | D | 32.9 | Very low | 31.2 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -74.1 | 94.5 | 171.8 | -101 | -44.5 | 0 | 0 | 0 | 110.5 | ||||
| 936 | T | 28.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -75.7 | 126.8 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | S934 | S934-T936 PolarHBondContact O-N 3.29Å; S934-T936 VanDerWaalsContact O-N 3.08Å | ||
| 937 | R | 31 | Very low | 31.2 | Very low | 249 Ų | 249 | 145 Ų | 145 | 94% | 0.94 | 79% | 0.785 | S | S | * | * | trans | -124.5 | 115.7 | 156.3 | -84.9 | -168.4 | 170.1 | -147 | -3.3 | 110.9 | ||||
| 938 | R | 28.6 | Very low | 30.9 | Very low | 216 Ų | 216 | 146.2 Ų | 146.2 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -63.2 | 161 | 147.1 | -58 | -178.8 | 177.8 | 178 | -4.8 | 108 | ||||
| 939 | E | 31.6 | Very low | 31.1 | Very low | 158 Ų | 158 | 147.3 Ų | 147.3 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | cis | -154.9 | 162.5 | 24.6 | -114.1 | 124.9 | -131 | 0 | 0 | 105 | ||||
| 940 | T | 36.6 | Very low | 30.9 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | cis | -140.1 | 167.2 | 12.5 | 49.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 941 | D | 31.4 | Very low | 31 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -69.5 | 161.3 | -176.9 | -44.3 | -89.6 | 0 | 0 | 0 | 115.5 | ||||
| 942 | G | 34.5 | Very low | 30.8 | Very low | 79 Ų | 79 | 150 Ų | 150 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | 170.2 | 64.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 943 | D | 29.2 | Very low | 31 | Very low | 156 Ų | 156 | 155.2 Ų | 155.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -62.2 | 142.1 | 177.1 | -67.8 | -60.3 | 0 | 0 | 0 | 113.4 | ||||
| 944 | I | 35.4 | Very low | 30.9 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 82% | 0.821 | 81% | 0.808 | S | S | * | * | trans | 173.2 | 121.6 | 134.6 | -90.6 | 153.7 | 0 | 0 | 0 | 108.9 | ||||
| 945 | S | 29.6 | Very low | 31 | Very low | 113 Ų | 113 | 158.1 Ų | 158.1 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | -81.6 | 153.9 | 165.5 | -48.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 946 | P | 33.5 | Very low | 31 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | -143.1 | 130.5 | 120.9 | 33.7 | -19.1 | 0 | 0 | 0 | 114.7 | |||||
| 947 | T | 27.1 | Very low | 31.2 | Very low | 131 Ų | 131 | 159.7 Ų | 159.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 159.8 | 144 | -55 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 948 | I | 28.6 | Very low | 31.1 | Very low | 151 Ų | 151 | 156.1 Ų | 156.1 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | 99.6 | 100.1 | 178.4 | -54.7 | 158.9 | 0 | 0 | 0 | 113.6 | ||||
| 949 | L | 32.2 | Very low | 31.1 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | -167.4 | 94.3 | 123.7 | -104.4 | 168.8 | 0 | 0 | 0 | 109.6 | |||||
| 950 | L | 28.8 | Very low | 31.2 | Very low | 152 Ų | 152 | 152.5 Ų | 152.5 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -128.8 | 159.9 | 167.4 | -120.5 | 174.7 | 0 | 0 | 0 | 107.3 | ||||
| 951 | H | 31.4 | Very low | 30.8 | Very low | 176 Ų | 176 | 155.4 Ų | 155.4 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | trans | 69.2 | 133.8 | -159 | -38.3 | 87.5 | 0 | 0 | 0 | 111 | ||||
| 952 | D | 30.8 | Very low | 30.8 | Very low | 141 Ų | 141 | 155.8 Ų | 155.8 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | cis | -144.2 | 128.7 | 29.3 | 168.9 | 42.8 | 0 | 0 | 0 | 113.2 | ||||
| 953 | R | 31 | Very low | 30.5 | Very low | 236 Ų | 236 | 157.7 Ų | 157.7 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | -175.7 | 126.3 | 127.2 | -114.2 | -178 | 152.3 | -176.3 | -9.1 | 112.9 | |||||
| 954 | L | 29 | Very low | 30.8 | Very low | 157 Ų | 157 | 156.8 Ų | 156.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -102.3 | 173.7 | 169.6 | -81.5 | 164.2 | 0 | 0 | 0 | 111.7 | ||||
| 955 | Q | 28.8 | Very low | 30.5 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | 92.7 | 140.6 | 159.9 | -53.4 | -176.5 | -17.3 | 0 | 0 | 118.6 | ||||
| 956 | H | 32.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 159.3 Ų | 159.3 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 68.1 | 128.2 | -175.5 | -60.8 | 78.3 | 0 | 0 | 0 | 114.8 | ||||
| 957 | E | 33.5 | Very low | 30.3 | Very low | 175 Ų | 175 | 165.2 Ų | 165.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -150.5 | 161.3 | -0.8 | -144.8 | 172.9 | 165.1 | 0 | 0 | 112.8 | ||||
| 958 | Q | 28.6 | Very low | 30.6 | Very low | 174 Ų | 174 | 165.6 Ų | 165.6 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -71 | 164.8 | 161.8 | -65.6 | 157.7 | -48.9 | 0 | 0 | 108.1 | ||||
| 959 | D | 29.3 | Very low | 30.6 | Very low | 145 Ų | 145 | 162.2 Ų | 162.2 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | cis | -160.6 | -165.4 | 28.4 | -156.8 | -20.8 | 0 | 0 | 0 | 110.2 | ||||
| 960 | L | 32.5 | Very low | 30.5 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | trans | 82 | 81.7 | 167 | -118.2 | 78 | 0 | 0 | 0 | 118.2 | ||||
| 961 | H | 29.4 | Very low | 30.6 | Very low | 184 Ų | 184 | 165 Ų | 165 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -73.4 | 132.6 | 156.9 | -75.5 | -109 | 0 | 0 | 0 | 112.1 | ||||
| 962 | Q | 31.6 | Very low | 30.6 | Very low | 172 Ų | 172 | 163.6 Ų | 163.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -147.7 | 124.7 | 142.4 | -77.7 | -155.6 | 4.6 | 0 | 0 | 111.9 | L964 | Q962-L964 PolarHBondContact O-N 2.84Š| ||
| 963 | P | 28.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 162.1 Ų | 162.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -81.5 | 98.9 | 174.7 | 31.9 | -32.1 | 0 | 0 | 0 | 110.7 | T965 | P963-T965 VanDerWaalsContact C-N 3.34Å; P963-T965 PolarHBondContact O-N 2.65Å | ||
| 964 | L | 33.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 157 Ų | 157 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -76.9 | 81.5 | -174 | -131.8 | 150.7 | 0 | 0 | 0 | 112.1 | Q962 R966 | Q962-L964 PolarHBondContact O-N 2.84Å; L964-R966 HydrophobicContact CD2-CB 4.35Å; L964-R966 HydrophobicContact CD2-CG 4.25Å; L964-R966 PolarHBondContact O-N 2.71Å | ||
| 965 | T | 30.2 | Very low | 30.8 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | -57.4 | 105.9 | 167.1 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | P963 | P963-T965 VanDerWaalsContact C-N 3.34Å; P963-T965 PolarHBondContact O-N 2.65Å | ||
| 966 | R | 30.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -124.9 | 89.2 | 178.9 | -134.6 | -175.1 | -172.9 | -145.1 | 2.2 | 112.3 | L964 H968 | L964-R966 HydrophobicContact CD2-CB 4.35Å; L964-R966 HydrophobicContact CD2-CG 4.25Å; L964-R966 PolarHBondContact O-N 2.71Å; R966-H968 VanDerWaalsContact CZ-NE2 3.31Å; R966-H968 PolarHBondContact NE-NE2 2.96Å; R966-H968 PolarHBondContact NH1-NE2 3.05Å; R966-H968 PolarHBondContact O-N 3.41Å | ||
| 967 | R | 27 | Very low | 30.8 | Very low | 239 Ų | 239 | 151.7 Ų | 151.7 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | trans | -54.5 | 132.1 | 154.9 | -62.2 | 178.6 | 179.9 | -176.6 | 0.4 | 108 | ||||
| 968 | H | 34.3 | Very low | 30.7 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | trans | -132.4 | 101.5 | 157 | -93.8 | -76.9 | 0 | 0 | 0 | 108.9 | R966 | R966-H968 VanDerWaalsContact CZ-NE2 3.31Å; R966-H968 PolarHBondContact NE-NE2 2.96Å; R966-H968 PolarHBondContact NH1-NE2 3.05Å; R966-H968 PolarHBondContact O-N 3.41Å | ||
| 969 | S | 28.5 | Very low | 30.7 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 56% | 0.559 | 77% | 0.765 | S | S | * | * | trans | -86.3 | -169.8 | 168.7 | 41.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 970 | D | 30.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | trans | 65.7 | 82.3 | 153 | -45.8 | -43.7 | 0 | 0 | 0 | 118.4 | ||||
| 971 | W | 30.4 | Very low | 30.5 | Very low | 261 Ų | 261 | 148.5 Ų | 148.5 | 99% | 0.989 | 76% | 0.76 | S | S | * | * | trans | -123.3 | 78 | 141 | -82.6 | 82.9 | 0 | 0 | 0 | 110 | ||||
| 972 | I | 31 | Very low | 30.8 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -81.9 | 123 | 170 | -67.3 | 177.3 | 0 | 0 | 0 | 108.8 | ||||
| 973 | V | 31.6 | Very low | 30.6 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | 25.5 | 118.9 | 152.2 | -173.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 974 | P | 27.9 | Very low | 30.8 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -67 | 139.7 | 170.6 | 30.7 | -34.9 | 0 | 0 | 0 | 111.4 | ||||
| 975 | S | 35.6 | Very low | 30.7 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -138.7 | 142.4 | 166.6 | -74 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 976 | S | 30.9 | Very low | 31 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | -115.2 | 159.9 | -159.9 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 977 | H | 31.2 | Very low | 31.2 | Very low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 78.7 | 153.9 | 167 | -51.9 | -72.2 | 0 | 0 | 0 | 118.6 | ||||
| 978 | L | 31.5 | Very low | 31.6 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 76.4 | 129.3 | 168.4 | -45 | -175.1 | 0 | 0 | 0 | 115.8 | ||||
| 979 | L | 28.5 | Very low | 31.6 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -166.2 | 168.7 | -16.4 | -128.2 | -179.3 | 0 | 0 | 0 | 109.2 | ||||
| 980 | T | 30.6 | Very low | 31.9 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | trans | 61.6 | 94.5 | 156.5 | -43 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 981 | E | 27.2 | Very low | 32.1 | Very low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | 42.5 | 118.4 | 89.8 | -69 | -164 | 154 | 0 | 0 | 115.2 | |||||
| 982 | L | 34.6 | Very low | 32.4 | Very low | 173 Ų | 173 | 126 Ų | 126 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | -163.8 | 153.2 | 121.6 | -105.6 | 166 | 0 | 0 | 0 | 110.1 | |||||
| 983 | S | 27.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 125.3 Ų | 125.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -107.5 | -168.9 | -162.8 | -52 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 984 | A | 33.1 | Very low | 32.7 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 82.2 | 146.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 985 | D | 31.1 | Very low | 32.7 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | 150.7 | 152 | 1.8 | -178.3 | 64.6 | 0 | 0 | 0 | 102.6 | ||||
| 986 | S | 37.2 | Very low | 32.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -143.7 | 179.1 | -6.6 | 18.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 987 | G | 35.2 | Very low | 32.2 | Very low | 60 Ų | 60 | 131.1 Ų | 131.1 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | cis | 168.6 | 178 | 2.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 988 | D | 35.9 | Very low | 32 | Very low | 158 Ų | 158 | 129 Ų | 129 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 148.9 | 162.4 | -61.6 | -17.2 | 0 | 0 | 0 | 120.7 | ||||
| 989 | T | 34.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | cis | -158.9 | 155.4 | -19.3 | 26.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 990 | A | 32.8 | Very low | 31.7 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 59.1 | 146.3 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 991 | S | 36.6 | Very low | 31.7 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -154.5 | 174.9 | -3.9 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 992 | S | 35.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -133.1 | 154.2 | 171.8 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 993 | P | 40.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -125.4 | 167.6 | 132.5 | 37 | -29.5 | 0 | 0 | 0 | 110.9 | ||||
| 994 | G | 29.8 | Very low | 32 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | cis | 143.4 | 121.8 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 995 | R | 27.2 | Very low | 31.7 | Very low | 226 Ų | 226 | 124.6 Ų | 124.6 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -57.2 | 146.7 | -179.8 | -53.9 | 164.8 | 177.2 | 169.3 | -3.8 | 112.2 | ||||
| 996 | H | 29.4 | Very low | 31.8 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | 173.4 | 140.4 | 107 | -101.7 | -79.7 | 0 | 0 | 0 | 116 | |||||
| 997 | N | 26.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | 47.6 | 122.9 | 137 | -69.2 | 17.2 | 0 | 0 | 0 | 126.6 | ||||
| 998 | V | 26.3 | Very low | 31 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | 72.3 | 154.7 | 117.1 | -174.1 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 999 | V | 27.2 | Very low | 30.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | 81.6 | 97.8 | 177.5 | -162.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1000 | I | 26.5 | Very low | 30.5 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | 60.6 | 107 | 84.1 | -53.4 | 161.4 | 0 | 0 | 0 | 113.2 | |||||
| 1001 | D | 30.2 | Very low | 30.5 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | -179.5 | 141 | 106.2 | -121.1 | -49 | 0 | 0 | 0 | 116.3 | |||||
| 1002 | S | 31.5 | Very low | 30.2 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 27.3 | 128.1 | 149 | -57.7 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 1003 | E | 30.8 | Very low | 30 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | 7 | 155.3 | 126.3 | -88 | -84.5 | 122 | 0 | 0 | 120.3 | N1005 | E1003-N1005 PolarHBondContact OE2-N 3.09Å; E1003-N1005 PolarHBondContact OE2-ND2 2.93Å | |||
| 1004 | P | 35.2 | Very low | 29.4 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | cis | -150.2 | 166.4 | 40.4 | 43.7 | -23.2 | 0 | 0 | 0 | 122.1 | ||||
| 1005 | N | 26.6 | Very low | 29.4 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | trans | 20.5 | 135.3 | 143.8 | -82.2 | -88.6 | 0 | 0 | 0 | 122.5 | E1003 | E1003-N1005 PolarHBondContact OE2-N 3.09Å; E1003-N1005 PolarHBondContact OE2-ND2 2.93Å | ||
| 1006 | S | 32.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | -174.2 | 165.7 | 105.3 | 37.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1007 | Q | 28.5 | Very low | 29.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -115.7 | 158.2 | -164.6 | -56.2 | 166.3 | -14.5 | 0 | 0 | 113.3 | ||||
| 1008 | S | 27.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | 159.9 | 141 | 149.1 | -78.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1009 | Y | 30.8 | Very low | 29.8 | Very low | 229 Ų | 229 | 142.9 Ų | 142.9 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | cis | -148.2 | 169.7 | -10.7 | -99.1 | -60 | 0 | 0 | 0 | 109.2 | ||||
| 1010 | S | 28.2 | Very low | 30.1 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -117.1 | 151.1 | -176.5 | 171.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1011 | V | 32.6 | Very low | 30.2 | Very low | 140 Ų | 140 | 145.7 Ų | 145.7 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -141.7 | 141.8 | 142.8 | -173 | 0 | 0 | 0 | 0 | 110 | ||||
| 1012 | N | 29.8 | Very low | 30.2 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 60% | 0.599 | 78% | 0.775 | S | S | * | * | trans | -88.6 | 162.7 | -169.4 | -28.7 | -76.1 | 0 | 0 | 0 | 114.4 | F1014 | N1012-F1014 HydrophobicContact CB-CE2 4.47Š| ||
| 1013 | N | 31.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | -161.6 | 164.1 | 108.9 | -108.3 | -5.7 | 0 | 0 | 0 | 114.2 | |||||
| 1014 | F | 28.9 | Very low | 30.1 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -88 | 149.8 | -150.3 | -71.5 | -100.1 | 0 | 0 | 0 | 117 | N1012 | N1012-F1014 HydrophobicContact CB-CE2 4.47Š| ||
| 1015 | N | 30.1 | Very low | 29.6 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -81.9 | 154.1 | 156.8 | -84.9 | -27.1 | 0 | 0 | 0 | 111.2 | ||||
| 1016 | F | 28.4 | Very low | 29.7 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -129.1 | 168.1 | 160 | -95.4 | -89.8 | 0 | 0 | 0 | 109.3 | ||||
| 1017 | I | 32.2 | Very low | 29.4 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 69.9 | 58.5 | -176.1 | -39.5 | -179.7 | 0 | 0 | 0 | 113.1 | ||||
| 1018 | H | 29.5 | Very low | 29.4 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -131.1 | 49.8 | 145.6 | -163.6 | -63 | 0 | 0 | 0 | 110 | ||||
| 1019 | D | 27.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -139.4 | 103 | 174.7 | -84 | -52.2 | 0 | 0 | 0 | 108.4 | ||||
| 1020 | L | 33.7 | Very low | 29.3 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | trans | -177.7 | 41.6 | 154.4 | -107 | 170.4 | 0 | 0 | 0 | 113.5 | ||||
| 1021 | D | 29.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -145 | 143 | 162.9 | -147.7 | -20.4 | 0 | 0 | 0 | 110.8 | ||
| 1022 | Q | 29.5 | Very low | 29.3 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | 59 | 72.9 | -177.6 | -62.1 | -171.4 | 69.9 | 0 | 0 | 119.8 | ||||
| 1023 | L | 30.9 | Very low | 29.3 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -164.2 | 146.7 | 144.1 | -88.1 | -177.3 | 0 | 0 | 0 | 108.1 | ||||
| 1024 | C | 28.3 | Very low | 29.2 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | -158 | 174.4 | -32.3 | -146.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1025 | L | 26.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 161.9 | 170 | -73.4 | 162.1 | 0 | 0 | 0 | 111.7 | ||||
| 1026 | S | 27.2 | Very low | 29.3 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 76.8 | 113.5 | 164 | 71.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1027 | S | 26.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | 27.8 | 126.9 | 136.3 | 57.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 1028 | S | 28.8 | Very low | 29.2 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -175 | 174.3 | 101.7 | -80.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1029 | C | 28.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -93.4 | 169 | -172.4 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1030 | D | 28.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | trans | 85.2 | 129 | 144.7 | -107.5 | -16.4 | 0 | 0 | 0 | 121.2 | ||||
| 1031 | K | 31.2 | Very low | 29.2 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 78.5 | 108.8 | 143.9 | -72.8 | 161.3 | -176.1 | 131.4 | 0 | 122.1 | ||||
| 1032 | D | 29.1 | Very low | 29.1 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | 56.4 | 134 | 113.1 | -59.5 | -34.7 | 0 | 0 | 0 | 120.9 | |||||
| 1033 | A | 28.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -64.5 | 140 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1034 | A | 30.5 | Very low | 29.3 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | -172.9 | 140.9 | 111.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1035 | T | 32.5 | Very low | 29.4 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 50.5 | 117.2 | 144.1 | 56.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1036 | N | 27.6 | Very low | 29.7 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 85.7 | 123.4 | 123.6 | -70.8 | -2.5 | 0 | 0 | 0 | 123.3 | |||||
| 1037 | V | 29.5 | Very low | 30 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | 82.9 | 95.5 | 134.3 | 178.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1038 | T | 29.2 | Very low | 30 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | 45.3 | 113.3 | 119.4 | -40.7 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1039 | T | 31.1 | Very low | 30.1 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | -179.2 | 115.3 | 114 | 34.7 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1040 | T | 30.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | 68.6 | 142.7 | 88.8 | 14.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1041 | I | 28.8 | Very low | 30.1 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 78.8 | 137.3 | 153.9 | -68 | 160.2 | 0 | 0 | 0 | 117.4 | ||||
| 1042 | C | 26.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | cis | -174.4 | 152.3 | -22.5 | -107.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1043 | T | 31.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 55.6 | 171.8 | 146.9 | 60.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1044 | T | 34.1 | Very low | 31 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | cis | -145 | 136.2 | 19.3 | 38.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1045 | L | 30.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | 89.2 | 120.3 | 93.9 | -65.4 | 173.7 | 0 | 0 | 0 | 119.4 | |||||
| 1046 | N | 31.7 | Very low | 30.6 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | trans | 55 | 138 | 130.1 | -61 | 6.9 | 0 | 0 | 0 | 124.7 | ||||
| 1047 | N | 33.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | 116.8 | 148.7 | 144.7 | -65.8 | -38.5 | 0 | 0 | 0 | 115.1 | ||||
| 1048 | C | 25.9 | Very low | 30.6 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | cis | -174.6 | -172.2 | -24.7 | -169.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1049 | V | 32.2 | Very low | 30.6 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | 77.4 | 99.2 | 159 | -175.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1050 | T | 28.5 | Very low | 30.4 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -24.9 | 161.7 | 141.4 | -31.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 1051 | I | 27.3 | Very low | 30.3 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 119.8 | 106.7 | 151.5 | -62.5 | 158.5 | 0 | 0 | 0 | 116.2 | ||||
| 1052 | C | 25.4 | Very low | 30.2 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | 50 | 142.3 | 142.3 | -58.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1053 | P | 47.6 | Very low | 30.2 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | -82.7 | 173.3 | 161.4 | 44.2 | -40.2 | 0 | 0 | 0 | 109.9 | ||||
| 1054 | P | 36.4 | Very low | 30 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | -153.1 | -174.7 | 59.1 | 43.9 | -23.1 | 0 | 0 | 0 | 117.2 | |||||
| 1055 | G | 26.6 | Very low | 29.7 | Very low | 56 Ų | 56 | 134.6 Ų | 134.6 | 58% | 0.577 | 74% | 0.741 | S | S | * | * | trans | 128.6 | 144.3 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1056 | F | 27.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 133 Ų | 133 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | trans | 64.2 | 129.5 | 163.4 | -56.3 | -82.5 | 0 | 0 | 0 | 118.2 | ||||
| 1057 | E | 30.7 | Very low | 29.3 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | cis | -156.8 | 146.7 | -19.2 | -152.6 | 157 | -136.8 | 0 | 0 | 109 | ||||
| 1058 | T | 25.5 | Very low | 29 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | trans | -81.6 | 125.8 | 173.6 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1059 | H | 30.8 | Very low | 29.1 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -136.5 | 107.7 | 159.7 | -128.8 | -66.2 | 0 | 0 | 0 | 111 | ||||
| 1060 | D | 25.6 | Very low | 29.1 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | trans | -57.3 | 138.2 | 154.6 | -63.2 | -78.5 | 0 | 0 | 0 | 108.8 | ||||
| 1061 | L | 29.8 | Very low | 29.3 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | -177.1 | 127.8 | 122.2 | -98.3 | 164.2 | 0 | 0 | 0 | 112.3 | |||||
| 1062 | N | 26.2 | Very low | 29.7 | Very low | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | trans | 57.9 | 126.2 | 137.8 | -130.9 | 61 | 0 | 0 | 0 | 121.7 | ||||
| 1063 | E | 26.9 | Very low | 30.1 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -0.9 | 121.1 | 132.5 | -41 | 175.6 | 160.2 | 0 | 0 | 114.8 | ||||
| 1064 | N | 26.7 | Very low | 29.5 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | -170.7 | 180 | 71.5 | -92.9 | -71.7 | 0 | 0 | 0 | 112.8 | |||||
| 1065 | E | 28 | Very low | 29.3 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | trans | 0.7 | 129.6 | 161.4 | -51.5 | -171.5 | 133.9 | 0 | 0 | 117.5 | ||||
| 1066 | S | 27.3 | Very low | 29.4 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | -175.4 | 152.9 | 65.1 | 40.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1067 | V | 27.2 | Very low | 29.6 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | 25.8 | 113.4 | 138.8 | -173.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1068 | F | 27.5 | Very low | 29.4 | Very low | 203 Ų | 203 | 141.7 Ų | 141.7 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | -151.7 | 145.8 | 107.1 | -110.2 | -73.7 | 0 | 0 | 0 | 112.2 | |||||
| 1069 | S | 27.2 | Very low | 29.6 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -97.8 | 152.8 | -179.2 | -68.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1070 | L | 31.8 | Very low | 29.7 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | trans | -151.3 | 149.2 | 138.2 | -108.4 | 155 | 0 | 0 | 0 | 110.8 | ||||
| 1071 | K | 32.6 | Very low | 30 | Very low | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | trans | -112.2 | 146.2 | -170.2 | -82.9 | 176.7 | 172.3 | 172.5 | 0 | 111.8 | ||||
| 1072 | T | 35.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | -162.8 | 118.7 | 127.1 | 21.9 | 0 | 0 | 0 | 0 | 107 | |||||
| 1073 | K | 34.2 | Very low | 29.9 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | 66.1 | 127.5 | 75.7 | -74.4 | -175.6 | 158 | -79.2 | 0 | 112.6 | |||||
| 1074 | E | 36.6 | Very low | 30 | Very low | 149 Ų | 149 | 144 Ų | 144 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | cis | -163.2 | 150 | -1 | -137.1 | 146.4 | -156.6 | 0 | 0 | 115.1 | ||||
| 1075 | S | 31.5 | Very low | 30.1 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 53 | 129.7 | 154.2 | -140.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1076 | L | 28.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | cis | 74.9 | 139.3 | 33 | -79 | 86.9 | 0 | 0 | 0 | 115.5 | ||||
| 1077 | V | 31.7 | Very low | 30.6 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -161 | -177.3 | -7.6 | 86.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1078 | N | 26.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -67.6 | 179.8 | 172.3 | -79.6 | -38.3 | 0 | 0 | 0 | 116.1 | ||||
| 1079 | S | 30.2 | Very low | 31.4 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 107.3 | 97.3 | 140.6 | -58.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1080 | T | 32.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | 52.2 | 116.1 | 124 | 59.5 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1081 | K | 30.5 | Very low | 31.7 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | 56.6 | 114 | 125.7 | -86.5 | -173.2 | 175.5 | -177.1 | 0 | 120.9 | |||||
| 1082 | L | 28.2 | Very low | 31.7 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | 167.9 | 169.1 | 100 | -96.5 | 154 | 0 | 0 | 0 | 115.2 | |||||
| 1083 | W | 27 | Very low | 31.6 | Very low | 219 Ų | 219 | 134.5 Ų | 134.5 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -28.5 | 151.9 | 165.6 | -103.4 | -69.1 | 0 | 0 | 0 | 116.3 | ||||
| 1084 | S | 28 | Very low | 31.5 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | -157.6 | 171.6 | 29.7 | -81.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1085 | S | 30 | Very low | 31.4 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 1.9 | 141.9 | 143.2 | -151.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1086 | S | 31.6 | Very low | 31.3 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | cis | -156.1 | 157.6 | 38.7 | -52.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1087 | N | 34.5 | Very low | 31.6 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -80.9 | 165.9 | 164.7 | -132.3 | -26.1 | 0 | 0 | 0 | 109.7 | ||||
| 1088 | P | 39.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | -157.1 | 165.2 | 65.2 | 41.3 | -20.7 | 0 | 0 | 0 | 119.6 | |||||
| 1089 | S | 30.7 | Very low | 31.9 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 67.8 | 152.8 | 147.8 | 66.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1090 | K | 31.4 | Very low | 31.9 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | cis | -164.3 | -177.3 | -1.6 | -113.3 | 169.5 | -178.1 | 175.2 | 0 | 106.2 | ||||
| 1091 | T | 34.8 | Very low | 32 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | cis | -163.9 | 131.3 | 8.8 | -1.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1092 | H | 32.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 165.8 | 149.3 | -75.7 | -118.7 | 0 | 0 | 0 | 119.3 | ||||
| 1093 | C | 33.2 | Very low | 32.3 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | cis | -153 | 140.6 | 3.3 | -137.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1094 | T | 32.4 | Very low | 32.7 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | trans | 32.5 | 135.7 | 141.2 | 56.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1095 | G | 34.6 | Very low | 32.9 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 179.1 | 118.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1096 | N | 29.8 | Very low | 33.1 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | -120.6 | 158.9 | -178.9 | -101.3 | -1 | 0 | 0 | 0 | 111.7 | ||||
| 1097 | I | 33.9 | Very low | 33 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | 172 | 158.8 | 128 | -88 | 157.1 | 0 | 0 | 0 | 111.1 | |||||
| 1098 | T | 30.6 | Very low | 33 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -130.8 | -173.2 | -163.3 | 54.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1099 | S | 33.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 87.3 | 153.3 | 163.6 | 86 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1100 | N | 30.4 | Very low | 32.7 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -171.9 | 177.9 | -28.9 | -113.3 | -8.5 | 0 | 0 | 0 | 110.2 | ||||
| 1101 | T | 34.4 | Very low | 32.7 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 82.3 | 157.4 | 156.2 | -32.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1102 | I | 33.5 | Very low | 32.7 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | -165 | 145.3 | -62.7 | -108.6 | 165.5 | 0 | 0 | 0 | 111.3 | |||||
| 1103 | N | 31.8 | Very low | 32.7 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | 53.3 | 145.4 | 159.2 | -65 | -4.4 | 0 | 0 | 0 | 125.1 | ||||
| 1104 | G | 35 | Very low | 32.6 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | -164.4 | 156.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1105 | V | 33.2 | Very low | 32.8 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -146.4 | 146.7 | -160.3 | -167.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1106 | K | 34 | Very low | 33 | Very low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | 135.8 | 166.9 | 141.7 | -73.1 | 161.2 | -173.3 | 176.6 | 0 | 114.9 | ||||
| 1107 | N | 30.4 | Very low | 33.6 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | -176 | 172.3 | -52.4 | -151.1 | -8 | 0 | 0 | 0 | 110.9 | |||||
| 1108 | I | 34.5 | Very low | 33.5 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 79.3 | 154.1 | 162.6 | -65.2 | 165.3 | 0 | 0 | 0 | 117.8 | ||||
| 1109 | N | 29.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | cis | -178.9 | -178.8 | -36.9 | -161.7 | 6.4 | 0 | 0 | 0 | 110.9 | ||||
| 1110 | I | 33.4 | Very low | 33.7 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | 78.4 | 146.4 | 154.3 | -68.4 | 155.1 | 0 | 0 | 0 | 119.5 | ||||
| 1111 | S | 30.6 | Very low | 33.8 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 54% | 0.538 | 74% | 0.741 | S | S | . | * | -173.2 | 173.7 | -59.4 | 46.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 1112 | H | 34.8 | Very low | 33.7 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | trans | 82.3 | 155.8 | 167 | -50.2 | -60.7 | 0 | 0 | 0 | 119.7 | ||||
| 1113 | N | 32 | Very low | 33.7 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | cis | -161.9 | 135.3 | -21.6 | -102.7 | 0.1 | 0 | 0 | 0 | 113.1 | ||||
| 1114 | L | 33 | Very low | 33.6 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | 33 | 140.4 | 149.5 | -83.3 | 64.9 | 0 | 0 | 0 | 126.3 | ||||
| 1115 | P | 35.8 | Very low | 33.5 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | trans | -107.2 | 178.9 | 162.5 | 42.6 | -34.9 | 0 | 0 | 0 | 114.1 | ||||
| 1116 | P | 38.9 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -138 | -118.4 | 132.5 | 29.7 | -5.7 | 0 | 0 | 0 | 117.6 | ||||
| 1117 | P | 41.4 | Very low | 33.3 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | -141.7 | 176.3 | -128.5 | 45.1 | -24.6 | 0 | 0 | 0 | 120.6 | |||||
| 1118 | C | 32.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -178.3 | 117.9 | 140.4 | -95.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1119 | T | 33.8 | Very low | 33.1 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | 57.9 | 131.9 | 66.6 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1120 | E | 34.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 127.2 Ų | 127.2 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | cis | -166.6 | -179.5 | -9.6 | -133.8 | -171.1 | -84.4 | 0 | 0 | 107 | ||||
| 1121 | S | 31.9 | Very low | 33.1 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | cis | -158.3 | -170.4 | 0.9 | -153.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1122 | L | 32.9 | Very low | 33.3 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | cis | -151.4 | -165.4 | 1.1 | -163.3 | 42.7 | 0 | 0 | 0 | 103.9 | ||||
| 1123 | V | 32.8 | Very low | 33.2 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | cis | -152.5 | 158.7 | 10 | -164.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1124 | G | 30.9 | Very low | 33.1 | Very low | 60 Ų | 60 | 126.9 Ų | 126.9 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | trans | 73.2 | 82.7 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1125 | S | 31.5 | Very low | 33 | Very low | 90 Ų | 90 | 127.1 Ų | 127.1 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | 53.1 | 124.9 | 86.8 | -64.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1126 | R | 31.4 | Very low | 32.6 | Very low | 204 Ų | 204 | 132.1 Ų | 132.1 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | cis | -167.5 | 168.6 | 2.9 | -126.1 | 165.1 | -76.3 | 148.4 | 1.8 | 107.1 | ||||
| 1127 | I | 33.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | cis | -147.8 | 171.9 | 15.7 | -162.8 | 157.9 | 0 | 0 | 0 | 112.7 | ||||
| 1128 | F | 30.5 | Very low | 31.8 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.772 | 73% | 0.728 | S | S | * | * | trans | -65.9 | 171.5 | 174.4 | -69.5 | -106.8 | 0 | 0 | 0 | 115 | ||||
| 1129 | S | 28.7 | Very low | 31.7 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | cis | -179.5 | -169.2 | -20.8 | -86.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1130 | N | 31.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 102.4 | 87.3 | 171.7 | -54.8 | -14.6 | 0 | 0 | 0 | 112.9 | ||||
| 1131 | T | 32.5 | Very low | 31.7 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | cis | 67.7 | 79.1 | 21.2 | 75.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1132 | S | 34.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -167.8 | 143.3 | 154.5 | 86.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1133 | V | 32.7 | Very low | 31.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | cis | -138.5 | 116.8 | -2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1134 | L | 30.8 | Very low | 31.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | trans | 25.2 | 109 | 138.6 | -58 | 167 | 0 | 0 | 0 | 121.6 | ||||
| 1135 | Q | 29.5 | Very low | 31.2 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | 44.7 | 101.2 | 101.7 | -168.9 | -178 | 20.4 | 0 | 0 | 118.8 | |||||
| 1136 | R | 28.3 | Very low | 31 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 82% | 0.815 | 75% | 0.753 | S | S | * | * | trans | -177.6 | 138 | 155.4 | -105.8 | -179.8 | -86.4 | -174.1 | -7.4 | 107.4 | ||||
| 1137 | L | 31.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | cis | -131.5 | 140.4 | -1.8 | -67.5 | 98 | 0 | 0 | 0 | 107.8 | ||||
| 1138 | F | 31.9 | Very low | 30.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | 46.2 | 136.8 | 99.2 | -47.7 | -69.3 | 0 | 0 | 0 | 115.4 | |||||
| 1139 | N | 30.3 | Very low | 30.7 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | cis | -163.7 | 165.4 | 1.5 | -123.7 | -0.5 | 0 | 0 | 0 | 113.2 | ||||
| 1140 | N | 30.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -85.4 | -174.9 | 160.9 | -139.1 | -0.5 | 0 | 0 | 0 | 108.7 | ||||
| 1141 | P | 37.7 | Very low | 30.6 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | cis | -141.4 | -137.9 | -4.2 | 43 | -20.2 | 0 | 0 | 0 | 113.4 | ||||
| 1142 | T | 32.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | 84.3 | 124.5 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1143 | S | 26.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | 103.1 | 133.8 | 9.2 | -51.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1144 | Q | 28.7 | Very low | 30.5 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | 85.5 | 155.9 | 165.5 | -58.8 | -173.5 | -9 | 0 | 0 | 120.4 | ||||
| 1145 | A | 30.3 | Very low | 30.3 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | 84.5 | 76.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1146 | C | 26.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | 58.2 | 139.7 | 116.7 | -56.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1147 | N | 29.1 | Very low | 30.5 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | 85.2 | 124.4 | 149.6 | -61.5 | -7.7 | 0 | 0 | 0 | 120.2 | ||||
| 1148 | P | 30.2 | Very low | 30.5 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -96.5 | 163.1 | 171 | 39 | -34.4 | 0 | 0 | 0 | 113 | ||||
| 1149 | I | 29.9 | Very low | 30.2 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | -157.4 | 145.1 | 151.3 | -103.9 | 150 | 0 | 0 | 0 | 108.5 | ||||
| 1150 | P | 30.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -113.6 | -175.5 | -162.8 | 43.4 | -35.9 | 0 | 0 | 0 | 115.4 | ||||
| 1151 | T | 28.1 | Very low | 30.1 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 64.7 | 113.4 | 162.2 | 58.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 1152 | N | 31.5 | Very low | 29.8 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | -160.4 | 166 | 103.5 | -116.1 | -72.4 | 0 | 0 | 0 | 114.6 | |||||
| 1153 | N | 28.7 | Very low | 29.6 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 67% | 0.674 | 81% | 0.807 | S | S | * | * | trans | -70.2 | 154 | -176 | -48.6 | -75.3 | 0 | 0 | 0 | 113.1 | ||||
| 1154 | N | 36.2 | Very low | 29.5 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | -175.9 | 155 | 112.8 | -87.1 | -27 | 0 | 0 | 0 | 111.2 | |||||
| 1155 | D | 28.2 | Very low | 29.6 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 151.2 | 178.7 | -55.4 | -94.5 | 0 | 0 | 0 | 113.6 | ||||
| 1156 | L | 34.2 | Very low | 29.5 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -159.5 | 123.9 | 131.6 | -111.2 | 171.8 | 0 | 0 | 0 | 112 | ||||
| 1157 | N | 27.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 150.7 Ų | 150.7 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | -79.7 | 123.6 | 174.4 | 173.2 | 9.2 | 0 | 0 | 0 | 110.5 | ||||
| 1158 | M | 31.5 | Very low | 29.6 | Very low | 175 Ų | 175 | 149.1 Ų | 149.1 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | -145 | 119.3 | 163.3 | -107.8 | -62.3 | 171.8 | 0 | 0 | 112.2 | ||||
| 1159 | S | 26.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -88.3 | 117.7 | 169.4 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1160 | G | 31.5 | Very low | 29.6 | Very low | 78 Ų | 78 | 148.1 Ų | 148.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -134.4 | 102.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1161 | R | 26.2 | Very low | 29.4 | Very low | 246 Ų | 246 | 149 Ų | 149 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -74 | 126.5 | 163.3 | -71.6 | 179 | 172.1 | -164 | -1.6 | 109.2 | ||||
| 1162 | L | 32.1 | Very low | 29.6 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 93% | 0.927 | 79% | 0.789 | S | S | * | * | trans | -136.3 | 156.3 | 147 | -82.6 | -176.1 | 0 | 0 | 0 | 110.6 | ||||
| 1163 | N | 27.3 | Very low | 29.5 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -137.4 | 155.8 | -170.6 | -162 | 5.8 | 0 | 0 | 0 | 108 | ||||
| 1164 | S | 25.7 | Very low | 29.7 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | 65.3 | 149.8 | -168.8 | 79.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1165 | F | 29.6 | Very low | 29.3 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | -140.3 | 136.1 | 63 | -106.5 | -110.7 | 0 | 0 | 0 | 114.9 | |||||
| 1166 | F | 29.2 | Very low | 29.4 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | trans | 53.5 | 131.3 | 135.7 | -78.8 | -111.4 | 0 | 0 | 0 | 123.3 | ||||
| 1167 | W | 26.5 | Very low | 29.1 | Very low | 237 Ų | 237 | 144.5 Ų | 144.5 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | trans | -79.1 | 165.7 | 155.3 | -74.1 | 63.3 | 0 | 0 | 0 | 111.6 | ||||
| 1168 | P | 31.6 | Very low | 29.1 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -120.6 | 163.2 | 137.8 | 35.8 | -28.2 | 0 | 0 | 0 | 113.4 | ||||
| 1169 | Q | 26 | Very low | 29 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -132.4 | 129.7 | -168.9 | 171.9 | -170.6 | -6.2 | 0 | 0 | 111.1 | ||||
| 1170 | A | 33.7 | Very low | 29.1 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -163 | 119.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1171 | N | 26.6 | Very low | 29 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | cis | 75.5 | 128.9 | 23.5 | -110.3 | 83.5 | 0 | 0 | 0 | 114.6 | ||||
| 1172 | N | 30.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | trans | 75.2 | 142.5 | 166.3 | -61.9 | 54.2 | 0 | 0 | 0 | 117 | ||||
| 1173 | D | 31 | Very low | 29.2 | Very low | 111 Ų | 111 | 134 Ų | 134 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | cis | -161.8 | 160.6 | -5.3 | -100.5 | -23.9 | 0 | 0 | 0 | 113.5 | ||||
| 1174 | H | 31.7 | Very low | 29.5 | Very low | 152 Ų | 152 | 135 Ų | 135 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | trans | 47.1 | 126.7 | 158.6 | -53.5 | -46.2 | 0 | 0 | 0 | 121.6 | ||||
| 1175 | I | 29.2 | Very low | 29.7 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | 62.5 | 129.6 | 54.1 | -56.7 | 178.4 | 0 | 0 | 0 | 111.8 | I1177 | I1175-I1177 HydrophobicContact CG2-CD1 4.08Å; I1175-I1177 HydrophobicContact CG2-CG1 4.49Å | |||
| 1176 | P | 30.1 | Very low | 29.9 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | cis | -123.3 | 170.4 | 32.6 | 17.7 | 8.7 | 0 | 0 | 0 | 115.1 | ||||
| 1177 | I | 26.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | cis | 75.9 | 105.5 | 45.2 | -52.6 | 170.6 | 0 | 0 | 0 | 115.4 | I1175 | I1175-I1177 HydrophobicContact CG2-CD1 4.08Å; I1175-I1177 HydrophobicContact CG2-CG1 4.49Å | ||
| 1178 | C | 27.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | 170.7 | 146.8 | 148.9 | -93.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1179 | C | 30 | Very low | 30.1 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 69% | 0.689 | 73% | 0.732 | S | S | * | * | cis | -165.6 | 153.1 | -20.8 | -132.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1180 | S | 29 | Very low | 30.2 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 40.7 | 143.4 | 135.3 | -60 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1181 | S | 29.5 | Very low | 29.9 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | cis | -171.1 | -173.3 | 3.9 | -99.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1182 | N | 33.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | 105.1 | 91.4 | 168.5 | -52.3 | -15.3 | 0 | 0 | 0 | 112.5 | ||||
| 1183 | N | 28 | Very low | 29.8 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | 47.8 | 109.1 | 71.1 | -74.8 | 15.3 | 0 | 0 | 0 | 114.6 | |||||
| 1184 | I | 34.6 | Very low | 29.6 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | -155.5 | 142.5 | 122.3 | -97.3 | 153.2 | 0 | 0 | 0 | 107.1 | |||||
| 1185 | D | 30 | Very low | 29.6 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | -75.9 | 158.9 | -176.3 | -46.9 | -101.6 | 0 | 0 | 0 | 112.4 | ||||
| 1186 | D | 32.5 | Very low | 29.5 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | -169.4 | 167.7 | 99.2 | -127.5 | -40.1 | 0 | 0 | 0 | 113.8 | |||||
| 1187 | S | 29.9 | Very low | 29.5 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | trans | -113.5 | 142.5 | -167.7 | 179 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1188 | F | 32.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | trans | -145.4 | 87.1 | 150.4 | -85.8 | -63 | 0 | 0 | 0 | 113.1 | F1190 | F1188-F1190 HydrophobicContact CD1-CD2 4.33Å; F1188-F1190 HydrophobicContact CD1-CE2 4.05Å; F1188-F1190 HydrophobicContact CE1-CE2 4.26Å | ||
| 1189 | G | 29.2 | Very low | 29.7 | Very low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | -89.5 | 143.2 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1190 | F | 29.6 | Very low | 29.6 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | trans | -125 | 75.9 | 169.1 | -106.8 | -73.9 | 0 | 0 | 0 | 111.9 | F1188 Y1192 | F1188-F1190 HydrophobicContact CD1-CD2 4.33Å; F1188-F1190 HydrophobicContact CD1-CE2 4.05Å; F1188-F1190 HydrophobicContact CE1-CE2 4.26Å; F1190-Y1192 HydrophobicContact CD1-CD2 4.05Å; F1190-Y1192 AromaticContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CE2 4.29Å | ||
| 1191 | S | 25.5 | Very low | 29.6 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -85.6 | 122.4 | 149.3 | 54 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1192 | Y | 27.7 | Very low | 29.6 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | -129.9 | 81.8 | 163.8 | -117 | -97.9 | 0 | 0 | 0 | 110 | F1190 E1194 | F1190-Y1192 HydrophobicContact CD1-CD2 4.05Å; F1190-Y1192 AromaticContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CD2 3.88Å; F1190-Y1192 HydrophobicContact CE1-CE2 4.29Å; Y1192-E1194 HydrophobicContact CD1-CB 3.89Å; Y1192-E1194 HydrophobicContact CE1-CB 3.89Å | ||
| 1193 | L | 27.9 | Very low | 29.3 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 72% | 0.717 | S | S | * | * | trans | -82.5 | 113.5 | 138.1 | -88.4 | 166.6 | 0 | 0 | 0 | 105.4 | ||||
| 1194 | E | 28.2 | Very low | 29.4 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | -106.4 | 111.7 | 157.5 | -172.3 | 152.5 | -128.7 | 0 | 0 | 108.2 | Y1192 | Y1192-E1194 HydrophobicContact CD1-CB 3.89Å; Y1192-E1194 HydrophobicContact CE1-CB 3.89Å | ||
| 1195 | S | 30.9 | Very low | 29 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | trans | -93.2 | 96.1 | 169.9 | -62.8 | 0 | 0 | 0 | 0 | 106.9 | N1197 | S1195-N1197 PolarHBondContact O-N 3.31Š| ||
| 1196 | E | 26.8 | Very low | 29 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -58 | 106.8 | 168.6 | -79.7 | -166.4 | 110 | 0 | 0 | 109.4 | ||||
| 1197 | N | 30.9 | Very low | 28.7 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | trans | -144.1 | 104 | 168.1 | -113.6 | -36.6 | 0 | 0 | 0 | 109.3 | S1195 | S1195-N1197 PolarHBondContact O-N 3.31Š| ||
| 1198 | Q | 28.9 | Very low | 28.7 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | trans | 25.3 | 119.8 | 147.1 | -51.7 | 178 | 39.1 | 0 | 0 | 117.1 | ||||
| 1199 | F | 29.2 | Very low | 28.4 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | -164.9 | 103.4 | 93.8 | -103.7 | -83.2 | 0 | 0 | 0 | 107.6 | |||||
| 1200 | Q | 28.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | 72.7 | 128.1 | 85.1 | -140.2 | -162.1 | 11.4 | 0 | 0 | 113.3 | |||||
| 1201 | H | 28.1 | Very low | 28.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 52% | 0.519 | 70% | 0.695 | S | S | . | * | trans | 68.7 | 150.2 | 177.2 | -67.8 | -95.2 | 0 | 0 | 0 | 116.4 | ||||
| 1202 | H | 29.5 | Very low | 28.5 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 49% | 0.486 | 69% | 0.693 | S | S | . | * | cis | -139.1 | 139.3 | 5.4 | -134.8 | -59.3 | 0 | 0 | 0 | 113.9 | ||||
| 1203 | Q | 28.3 | Very low | 28.6 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | 70.8 | 141.3 | 142.8 | -119.5 | 159.9 | 19 | 0 | 0 | 122 | ||||
| 1204 | S | 28.5 | Very low | 28.7 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | trans | 47.7 | 129.5 | 139.7 | 60.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1205 | D | 28.2 | Very low | 28.8 | Very low | 152 Ų | 152 | 123.2 Ų | 123.2 | 81% | 0.813 | 66% | 0.66 | S | S | * | * | cis | -164.5 | 162.2 | -3.6 | -125.6 | -51.5 | 0 | 0 | 0 | 112.2 | ||||
| 1206 | A | 28.5 | Very low | 28.7 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 66% | 0.66 | S | S | * | * | trans | 62.7 | 141.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1207 | A | 27.2 | Very low | 28.8 | Very low | 87 Ų | 87 | 121.3 Ų | 121.3 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | 37.4 | 109.6 | 73.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1208 | T | 29.1 | Very low | 28.8 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | -175.8 | 121.5 | 90.9 | -79.2 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 1209 | R | 26.6 | Very low | 28.9 | Very low | 228 Ų | 228 | 116.3 Ų | 116.3 | 86% | 0.86 | 62% | 0.622 | S | S | * | * | 64.6 | 155 | 66.3 | -177.4 | -157.5 | -158.8 | -174.7 | 8.6 | 110.1 | |||||
| 1210 | S | 29.5 | Very low | 29.1 | Very low | 88 Ų | 88 | 114.8 Ų | 114.8 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | trans | 65.1 | 107.7 | 175.1 | 15.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1211 | S | 26.8 | Very low | 29.6 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | 80.7 | 98.4 | 61.2 | 75.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 1212 | S | 29.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 117 Ų | 117 | 72% | 0.72 | 63% | 0.629 | S | S | * | * | trans | -156.2 | 56.9 | 160.3 | 58.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1213 | F | 30.5 | Very low | 29.9 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 43% | 0.43 | 62% | 0.617 | S | S | . | * | 99.1 | 145.1 | 90.1 | -105.8 | -145 | 0 | 0 | 0 | 109.1 | I1227 N1229 | F1213-I1227 HydrophobicContact CB-CG2 3.51Å; F1213-N1229 HydrophobicContact CB-CB 4.13Å; F1213-N1229 HydrophobicContact CD1-CB 4.34Å; F1213-N1229 HydrophobicContact CD2-CB 3.22Å; F1213-N1229 HydrophobicContact CE2-CB 3.55Å; F1213-N1229 HydrophobicContact CG-CB 3.61Å; F1213-N1229 VanDerWaalsContact CG-N 3.3Å; F1213-N1229 HydrophobicContact CZ-CB 4.19Å; F1213-N1229 WeakPolarHBondContact CZ-O 3.39Å | |||
| 1214 | F | 29.9 | Very low | 30.1 | Very low | 168 Ų | 168 | 110.2 Ų | 110.2 | 74% | 0.737 | 61% | 0.614 | S | S | * | * | trans | -93.4 | -88.7 | -155.8 | -155.6 | -46.3 | 0 | 0 | 0 | 121.8 | G1226 I1227 N1228 | F1214-G1226 CarbonylContact O-C 3.58Å; F1214-G1226 VanDerWaalsContact O-O 3.11Å; F1214-I1227 WeakPolarHBondContact O-CA 3.44Å; F1214-I1227 PolarHBondContact O-N 2.82Å; F1214-N1228 WeakPolarHBondContact CA-O 3.4Å; F1214-N1228 WeakPolarHBondContact CB-O 3.33Å; F1214-N1228 PolarHBondContact N-O 3.2Å | ||
| 1215 | P | 29.3 | Very low | 30.3 | Very low | 56 Ų | 56 | 113.8 Ų | 113.8 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | trans | -98.7 | 174.1 | -164 | 44.6 | -38.7 | 0 | 0 | 0 | 113.9 | G1226 I1227 N1228 | P1215-G1226 VanDerWaalsContact C-CA 3.43Å; P1215-G1226 CarbonylContact O-C 3.55Å; P1215-I1227 VanDerWaalsContact C-N 3.32Å; P1215-I1227 CarbonylContact O-C 3.58Å; P1215-I1227 WeakPolarHBondContact O-CA 3.36Å; P1215-I1227 PolarHBondContact O-N 2.8Å; P1215-N1228 WeakPolarHBondContact CD-O 3.23Å; P1215-N1228 PolarHBondContact O-N 2.98Å | ||
| 1216 | E | 29.6 | Very low | 30.7 | Very low | 138 Ų | 138 | 107.9 Ų | 107.9 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | cis | -149.4 | 131.6 | 44.9 | -96.5 | 156.3 | 168.3 | 0 | 0 | 110.9 | I1225 | E1216-I1225 CarbonylContact C-O 3.57Å; E1216-I1225 VanDerWaalsContact O-O 3.05Å | ||
| 1217 | N | 28.5 | Very low | 31 | Very low | 103 Ų | 103 | 109.5 Ų | 109.5 | 55% | 0.551 | 60% | 0.595 | S | S | * | * | 68.6 | 110.3 | 75.8 | 175.5 | 34.1 | 0 | 0 | 0 | 114.4 | I1225 | N1217-I1225 PolarHBondContact N-O 3.22Š| |||
| 1218 | L | 31.4 | Very low | 31.3 | Very low | 114 Ų | 114 | 110 Ų | 110 | 60% | 0.597 | 59% | 0.586 | S | S | * | * | trans | 170.4 | 127.7 | 132.5 | -92.5 | 163.3 | 0 | 0 | 0 | 114.1 | G1223 | L1218-G1223 VanDerWaalsContact C-CA 3.48Å; L1218-G1223 PolarHBondContact N-O 3.36Å | ||
| 1219 | N | 31.1 | Very low | 31.5 | Very low | 64 Ų | 64 | 109.5 Ų | 109.5 | 34% | 0.342 | 58% | 0.579 | S | S | . | * | trans | 35.1 | 168.1 | 136.8 | -57.8 | 3.8 | 0 | 0 | 0 | 123.8 | Y1221 T1222 | N1219-Y1221 HydrophobicContact CB-CD1 3.96Å; N1219-Y1221 HydrophobicContact CB-CE1 4.12Å; N1219-Y1221 VanDerWaalsContact CG-CD1 3.49Å; N1219-Y1221 VanDerWaalsContact CG-CE1 3.5Å; N1219-Y1221 WeakPolarHBondContact ND2-CE1 3.45Å; N1219-Y1221 WeakPolarHBondContact OD1-CD1 3.17Å; N1219-T1222 PolarHBondContact O-OG1 2.78Å | ||
| 1220 | E | 33.5 | Very low | 32 | Very low | 141 Ų | 141 | 101.6 Ų | 101.6 | 66% | 0.659 | 57% | 0.569 | S | S | * | * | S | Bend | cis | -109.8 | 110.9 | -16.2 | -77.2 | 78.6 | -141.8 | 0 | 0 | 111.7 | T1222 | E1220-T1222 WeakPolarHBondContact CA-OG1 3.38Å; E1220-T1222 PolarHBondContact N-OG1 3.44Å |
| 1221 | Y | 37.7 | Very low | 32.2 | Very low | 186 Ų | 186 | 102.4 Ų | 102.4 | 73% | 0.729 | 58% | 0.575 | S | S | * | * | S | Bend | cis | -142.5 | 94.2 | -27 | -47.7 | -105 | 0 | 0 | 0 | 106.3 | N1219 | N1219-Y1221 HydrophobicContact CB-CD1 3.96Å; N1219-Y1221 HydrophobicContact CB-CE1 4.12Å; N1219-Y1221 VanDerWaalsContact CG-CD1 3.49Å; N1219-Y1221 VanDerWaalsContact CG-CE1 3.5Å; N1219-Y1221 WeakPolarHBondContact ND2-CE1 3.45Å; N1219-Y1221 WeakPolarHBondContact OD1-CD1 3.17Å |
| 1222 | T | 34.4 | Very low | 32.5 | Very low | 110 Ų | 110 | 105.5 Ų | 105.5 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | cis | 59.7 | 170 | 7.1 | 82.3 | 0 | 0 | 0 | 0 | 115.1 | N1219 E1220 | N1219-T1222 PolarHBondContact O-OG1 2.78Å; E1220-T1222 WeakPolarHBondContact CA-OG1 3.38Å; E1220-T1222 PolarHBondContact N-OG1 3.44Å | ||
| 1223 | G | 30.4 | Very low | 32.6 | Very low | 23 Ų | 23 | 108 Ų | 108 | 24% | 0.237 | 59% | 0.589 | C | S | . | * | trans | 156.1 | 0.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | L1218 | L1218-G1223 VanDerWaalsContact C-CA 3.48Å; L1218-G1223 PolarHBondContact N-O 3.36Å | ||
| 1224 | S | 31.5 | Very low | 32.8 | Very low | 92 Ų | 92 | 106.2 Ų | 106.2 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | trans | 26.7 | 118.1 | 152.6 | -52.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1225 | I | 32.6 | Very low | 32.8 | Very low | 165 Ų | 165 | 105 Ų | 105 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | trans | 73.5 | 165.8 | 148.2 | -54.8 | 164.2 | 0 | 0 | 0 | 115.4 | E1216 N1217 | E1216-I1225 CarbonylContact C-O 3.57Å; E1216-I1225 VanDerWaalsContact O-O 3.05Å; N1217-I1225 PolarHBondContact N-O 3.22Å | ||
| 1226 | G | 37.5 | Very low | 33.1 | Very low | 28 Ų | 28 | 107.8 Ų | 107.8 | 29% | 0.289 | 61% | 0.612 | S | S | . | * | trans | 165.2 | 155.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | F1214 P1215 | F1214-G1226 CarbonylContact O-C 3.58Å; F1214-G1226 VanDerWaalsContact O-O 3.11Å; P1215-G1226 VanDerWaalsContact C-CA 3.43Å; P1215-G1226 CarbonylContact O-C 3.55Å | ||
| 1227 | I | 34.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 107.3 Ų | 107.3 | 59% | 0.585 | 61% | 0.614 | S | S | * | * | trans | -156.3 | 106.6 | 169.8 | -58.8 | -172.9 | 0 | 0 | 0 | 113.4 | F1213 F1214 P1215 | F1213-I1227 HydrophobicContact CB-CG2 3.51Å; F1214-I1227 WeakPolarHBondContact O-CA 3.44Å; F1214-I1227 PolarHBondContact O-N 2.82Å; P1215-I1227 VanDerWaalsContact C-N 3.32Å; P1215-I1227 CarbonylContact O-C 3.58Å; P1215-I1227 WeakPolarHBondContact O-CA 3.36Å; P1215-I1227 PolarHBondContact O-N 2.8Å | ||
| 1228 | N | 33.7 | Very low | 33.7 | Very low | 97 Ų | 97 | 109 Ų | 109 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | trans | -167.6 | 140.9 | 161 | -107.4 | -50.7 | 0 | 0 | 0 | 115.4 | F1214 P1215 | F1214-N1228 WeakPolarHBondContact CA-O 3.4Å; F1214-N1228 WeakPolarHBondContact CB-O 3.33Å; F1214-N1228 PolarHBondContact N-O 3.2Å; P1215-N1228 WeakPolarHBondContact CD-O 3.23Å; P1215-N1228 PolarHBondContact O-N 2.98Å | ||
| 1229 | N | 33 | Very low | 34 | Very low | 96 Ų | 96 | 112.8 Ų | 112.8 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | trans | -138.8 | 166.6 | -175.5 | -158.5 | 5.2 | 0 | 0 | 0 | 115.6 | F1213 | F1213-N1229 HydrophobicContact CB-CB 4.13Å; F1213-N1229 HydrophobicContact CD1-CB 4.34Å; F1213-N1229 HydrophobicContact CD2-CB 3.22Å; F1213-N1229 HydrophobicContact CE2-CB 3.55Å; F1213-N1229 HydrophobicContact CG-CB 3.61Å; F1213-N1229 VanDerWaalsContact CG-N 3.3Å; F1213-N1229 HydrophobicContact CZ-CB 4.19Å; F1213-N1229 WeakPolarHBondContact CZ-O 3.39Å | ||
| 1230 | G | 36.3 | Very low | 34.2 | Very low | 62 Ų | 62 | 113.6 Ų | 113.6 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | trans | 94.1 | 172.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1231 | S | 33.6 | Very low | 34.4 | Very low | 106 Ų | 106 | 111.3 Ų | 111.3 | 74% | 0.741 | 66% | 0.664 | S | S | * | * | cis | -170 | 163.7 | -17.6 | -171 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1232 | N | 34.2 | Very low | 34.3 | Very low | 152 Ų | 152 | 110.7 Ų | 110.7 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | trans | 65.7 | 159.9 | -179.5 | -58.7 | -41 | 0 | 0 | 0 | 116.1 | ||||
| 1233 | N | 31.2 | Very low | 34.4 | Very low | 154 Ų | 154 | 111.7 Ų | 111.7 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | cis | 158.7 | 118 | -36.3 | 172.6 | 23.1 | 0 | 0 | 0 | 107 | ||||
| 1234 | G | 34 | Very low | 34.7 | Very low | 62 Ų | 62 | 116.6 Ų | 116.6 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | trans | 77.9 | 168 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1235 | N | 31.4 | Very low | 35 | Very low | 142 Ų | 142 | 115.9 Ų | 115.9 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | cis | -162.8 | 164 | -14.1 | -147.5 | -5.9 | 0 | 0 | 0 | 111.4 | ||||
| 1236 | N | 34.9 | Very low | 35.1 | Very low | 114 Ų | 114 | 115.6 Ų | 115.6 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | trans | 63.5 | 113.1 | 156.5 | -59.3 | -40.5 | 0 | 0 | 0 | 121.7 | ||||
| 1237 | N | 33.4 | Very low | 35 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | 46.7 | 119.3 | 118.3 | -44.4 | -34 | 0 | 0 | 0 | 120.9 | |||||
| 1238 | N | 37.2 | Very low | 35.1 | Very low | 138 Ų | 138 | 120.5 Ų | 120.5 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | -179.1 | 130.8 | 101.5 | -97.6 | -64.6 | 0 | 0 | 0 | 115.7 | |||||
| 1239 | K | 37.5 | Very low | 35.1 | Very low | 194 Ų | 194 | 120.2 Ų | 120.2 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | 41 | 119.8 | 139.3 | -61.7 | 177.1 | -178.9 | -179.6 | 0 | 122.6 | ||||
| 1240 | G | 35.1 | Very low | 35.2 | Very low | 81 Ų | 81 | 120.8 Ų | 120.8 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | trans | 97.4 | 148.1 | 141.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1241 | A | 37.9 | Very low | 35.2 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | cis | -159.3 | 159.9 | -14 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1242 | E | 36.7 | Very low | 35.2 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 71 | 141.4 | 162 | -68.8 | -172 | -166.7 | 0 | 0 | 122.3 | ||||
| 1243 | N | 35.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 73.6 | 96.7 | 149.7 | -58 | -24.9 | 0 | 0 | 0 | 122.8 | ||||
| 1244 | T | 37.6 | Very low | 35.2 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | 84.7 | 94.9 | 124.6 | -47.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1245 | A | 37.5 | Very low | 35 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 24.2 | 142.1 | 127.6 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1246 | N | 34.6 | Very low | 35.1 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | cis | -157.6 | 115 | -6.4 | -104.3 | -13.1 | 0 | 0 | 0 | 111 | ||||
| 1247 | N | 35.6 | Very low | 34.9 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -93.6 | 170.3 | 160.5 | -101.1 | -22.3 | 0 | 0 | 0 | 108.5 | ||||
| 1248 | S | 35.9 | Very low | 35 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | cis | -174.2 | -175.4 | -15 | 51.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1249 | S | 35.3 | Very low | 34.9 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | trans | 47.9 | 116.6 | 142.8 | 59.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1250 | S | 33.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | 79.7 | 144.7 | 69 | -63.5 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1251 | Q | 36.1 | Very low | 34.6 | Very low | 189 Ų | 189 | 116.7 Ų | 116.7 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | trans | 68.6 | 158.7 | 164 | -65 | 167.2 | 9.9 | 0 | 0 | 117.2 | ||||
| 1252 | S | 33.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | cis | -164.1 | 179.6 | -31.6 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1253 | A | 34.8 | Very low | 34.5 | Very low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | trans | 66.8 | 109 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1254 | R | 31 | Very low | 34.5 | Very low | 236 Ų | 236 | 124.4 Ų | 124.4 | 89% | 0.891 | 72% | 0.717 | S | S | * | * | 48.6 | 128.9 | 126.7 | -71.8 | -176.1 | 171.9 | -176.7 | -2.9 | 122 | |||||
| 1255 | C | 29.2 | Very low | 34.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 90% | 0.899 | 72% | 0.722 | S | S | * | * | trans | 68.9 | 116.1 | 142 | -62.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1256 | G | 33.7 | Very low | 34.4 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 88% | 0.876 | 74% | 0.735 | S | S | * | * | trans | 173.1 | 116.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1257 | A | 32.5 | Very low | 34.8 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 73% | 0.726 | S | S | * | * | trans | -121.8 | 167.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1258 | I | 35 | Very low | 34.7 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 67% | 0.672 | 72% | 0.721 | S | S | * | * | trans | 75.2 | 146.4 | 172.1 | -38.9 | 157.6 | 0 | 0 | 0 | 114.6 | P505 | P505-I1258 WeakPolarHBondContact O-CG2 3.28Š| ||
| 1259 | G | 35.3 | Very low | 35 | Very low | 38 Ų | 38 | 132.9 Ų | 132.9 | 39% | 0.392 | 73% | 0.725 | S | S | . | * | trans | 114.1 | 70.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | S507 | S507-G1259 VanDerWaalsContact CB-C 3.45Å; S507-G1259 VanDerWaalsContact CB-CA 3.44Å; S507-G1259 VanDerWaalsContact OG-CA 3.23Å; S507-G1259 WeakPolarHBondContact OG-CA 3.19Å | ||
| 1260 | E | 35.4 | Very low | 35 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 44% | 0.444 | 73% | 0.728 | S | S | . | * | trans | -11.2 | 152.2 | 150.5 | -49.6 | 126.9 | 96 | 0 | 0 | 119.2 | S507 P508 G509 | S507-E1260 VanDerWaalsContact C-CD 3.47Å; S507-E1260 VanDerWaalsContact C-OE2 3.26Å; S507-E1260 WeakPolarHBondContact CB-O 3.46Å; S507-E1260 PolarHBondContact N-OE2 3.35Å; S507-E1260 VanDerWaalsContact N-OE2 3.1Å; P508-E1260 VanDerWaalsContact C-OE1 3.32Å; P508-E1260 WeakPolarHBondContact CD-O 3.4Å; G509-E1260 PolarHBondContact N-OE1 3.46Å | ||
| 1261 | G | 30.9 | Very low | 35.1 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | 89.5 | 146.4 | 106 | 0 | 0 | 0 | 0 | 0 | 122.1 | P508 | P508-G1261 WeakPolarHBondContact O-CA 3.23Š| |||
| 1262 | R | 34.9 | Very low | 35 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 50% | 0.498 | 72% | 0.723 | S | S | . | * | trans | 68.3 | 121.6 | 164.1 | -72.2 | -171.3 | -174.1 | 152.7 | 8.9 | 120.3 | P508 G509 N510 | P508-R1262 HydrophobicContact CB-CG 4Å; P508-R1262 HydrophobicContact CG-CB 3.66Å; P508-R1262 HydrophobicContact CG-CG 3.59Å; G509-R1262 VanDerWaalsContact O-CZ 3.32Å; G509-R1262 PolarHBondContact O-NE 3.45Å; G509-R1262 PolarHBondContact O-NH2 3.3Å; N510-R1262 PolarHBondContact OD1-NE 3.5Å | ||
| 1263 | R | 36.2 | Very low | 34.9 | Very low | 207 Ų | 207 | 134.2 Ų | 134.2 | 78% | 0.781 | 72% | 0.72 | S | S | * | * | trans | 78.6 | 142.8 | 140.6 | -66.4 | 167.3 | -178.3 | -163.5 | 1.7 | 116.6 | ||||
| 1264 | R | 35.1 | Very low | 34.9 | Very low | 219 Ų | 219 | 135.4 Ų | 135.4 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | cis | 178.6 | 159.3 | -23.7 | -120.5 | -178.4 | -173.4 | -175.8 | -0.6 | 105.7 | ||||
| 1265 | R | 36.8 | Very low | 35.1 | Very low | 232 Ų | 232 | 130.2 Ų | 130.2 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | 79.8 | 120.5 | 175.5 | -51 | 170.2 | 177.1 | 179.5 | -2.8 | 112.3 | ||||
| 1266 | R | 37.9 | Very low | 35.4 | Very low | 240 Ų | 240 | 131.1 Ų | 131.1 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | cis | 74.9 | 150.4 | 43.3 | -77.2 | -163.6 | 175.5 | -170.1 | -0.3 | 113.7 | ||||
| 1267 | P | 42 | Very low | 35.3 | Very low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | cis | -140 | 164.7 | -8.2 | 31.9 | -11.6 | 0 | 0 | 0 | 117.7 | ||||
| 1268 | S | 34.2 | Very low | 35.2 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | trans | 66.3 | 170.2 | 140.3 | -72.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1269 | P | 41.1 | Very low | 35.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 71% | 0.706 | S | S | * | * | cis | -113.8 | 137.3 | -0.5 | 9.3 | 16.1 | 0 | 0 | 0 | 114 | ||||
| 1270 | N | 35.4 | Very low | 34.9 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | 100.9 | 139.4 | 96.6 | -78.7 | 7.2 | 0 | 0 | 0 | 112.6 | |||||
| 1271 | L | 36 | Very low | 34.8 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | cis | -139.6 | 148.4 | -2.1 | -81.2 | 117.9 | 0 | 0 | 0 | 111.5 | ||||
| 1272 | L | 33.7 | Very low | 34.8 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | 53.5 | 128.3 | 153.5 | -81.8 | 45.2 | 0 | 0 | 0 | 119.8 | ||||
| 1273 | S | 31.2 | Very low | 34.5 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | 77.3 | 138.5 | 36.7 | -156.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1274 | T | 34.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -154.8 | 130.3 | 20.2 | -27.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1275 | N | 35.8 | Very low | 34 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | 51.5 | 125.9 | 79.2 | -81.7 | 39.7 | 0 | 0 | 0 | 116.8 | |||||
| 1276 | N | 34.6 | Very low | 33.7 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | 156 | 95.2 | 142.1 | -79.2 | -9.9 | 0 | 0 | 0 | 108.2 | ||||
| 1277 | D | 32.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | 75.3 | 113.8 | 64.7 | -73.9 | -47 | 0 | 0 | 0 | 116.8 | |||||
| 1278 | T | 31.6 | Very low | 33.1 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 62.2 | 111.5 | 146 | 60.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 1279 | M | 33.5 | Very low | 33 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -164.8 | 112.6 | 137.3 | -88.7 | -62 | -174 | 0 | 0 | 105.6 | ||||
| 1280 | A | 29.1 | Very low | 32.9 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | cis | 82 | 48.3 | 49.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1281 | L | 34.1 | Very low | 33.1 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -137.2 | 114.9 | 164.7 | -69.5 | 178 | 0 | 0 | 0 | 107.7 | ||||
| 1282 | S | 31.3 | Very low | 33.1 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | 84 | 99.3 | 65.9 | 77.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1283 | V | 28.6 | Very low | 33.6 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 49.2 | 111.5 | 149.2 | -168.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1284 | S | 31.1 | Very low | 33.8 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | -167.5 | 156.9 | 121.5 | -85 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1285 | S | 28.1 | Very low | 33.7 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -86.7 | 179.5 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1286 | S | 31.3 | Very low | 33.6 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | 60.2 | 100.4 | 164.2 | 52.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1287 | L | 34.5 | Very low | 33.6 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | -144.5 | 149.9 | 114.4 | -140.4 | 71.7 | 0 | 0 | 0 | 110.3 | |||||
| 1288 | A | 33 | Very low | 33.6 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | trans | -126.4 | 161.4 | 171 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1289 | S | 33 | Very low | 33.8 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | 64.9 | 112.2 | -179.9 | -171.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1290 | I | 38.5 | Very low | 33.8 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 82% | 0.815 | 83% | 0.826 | S | S | * | * | -156.5 | 145.8 | 127.9 | -106.2 | 157.5 | 0 | 0 | 0 | 109.7 | |||||
| 1291 | T | 39.9 | Very low | 34.1 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 68% | 0.675 | 83% | 0.832 | S | S | * | * | trans | -39.8 | 137.7 | -173.1 | 49.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1292 | E | 36 | Very low | 34.1 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | 48.3 | 121.7 | 114.6 | -156.6 | 172.1 | -154.2 | 0 | 0 | 120.4 | |||||
| 1293 | V | 43.4 | Very low | 34.3 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 85% | 0.848 | 85% | 0.847 | S | S | * | * | 164.2 | 100.8 | 127 | 160.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1294 | A | 34.8 | Very low | 34.9 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 100% | 1.488 | 85% | 0.848 | S | S | * | * | trans | -174.1 | 0 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 1,294 of 1,294 residues in 568.9 ms
(Link to these results)