| 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 | 50.6 | Low | 54.6 | Low | 243 Ų | 243 | 128.8 Ų | 128.8 | 100% | 1.197 | 69% | 0.687 | S | S | * | * | 0 | 86.4 | 0 | -67.1 | -100.1 | 164.7 | 0 | 0 | 106.7 | |||||
| 2 | L | 53.5 | Low | 54.6 | Low | 152 Ų | 152 | 128.5 Ų | 128.5 | 80% | 0.796 | 68% | 0.684 | S | S | * | * | trans | -73.1 | 135.5 | 177.6 | -88.8 | 80.3 | 0 | 0 | 0 | 108.7 | D6 | L2-D6 HydrophobicContact CD2-CB 4.46Š| ||
| 3 | S | 58.5 | Low | 54.3 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | trans | -63.9 | 144.2 | -177.7 | -178 | 0 | 0 | 0 | 0 | 111.1 | A5 D6 | S3-A5 PolarHBondContact O-N 2.7Å; S3-D6 PolarHBondContact O-N 3.29Å | ||
| 4 | H | 56.5 | Low | 54.4 | Low | 150 Ų | 150 | 125 Ų | 125 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -19.6 | 179.9 | -174.8 | -111.7 | 0 | 0 | 0 | 114 | ||
| 5 | A | 55.5 | Low | 54.2 | Low | 69 Ų | 69 | 127.3 Ų | 127.3 | 57% | 0.57 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -33 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S3 L7 L8 | S3-A5 PolarHBondContact O-N 2.7Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.01Å; A5-L8 PolarHBondContact O-N 3.4Å |
| 6 | D | 53 | Low | 54 | Low | 106 Ų | 106 | 126.7 Ų | 126.7 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.1 | -26.8 | -176.9 | -120.9 | -89 | 0 | 0 | 0 | 112.3 | L2 S3 L8 | L2-D6 HydrophobicContact CD2-CB 4.46Å; S3-D6 PolarHBondContact O-N 3.29Å; D6-L8 VanDerWaalsContact C-N 3.32Å; D6-L8 PolarHBondContact O-N 3.02Å |
| 7 | L | 55.7 | Low | 53.8 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.6 | -21.1 | 179.6 | -166.9 | 65.1 | 0 | 0 | 0 | 112.9 | A5 | A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.01Å |
| 8 | L | 58.1 | Low | 53.7 | Low | 101 Ų | 101 | 120.1 Ų | 120.1 | 53% | 0.529 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -83.8 | -29 | 178.5 | -65.9 | 175.7 | 0 | 0 | 0 | 112.4 | A5 D6 R11 | A5-L8 PolarHBondContact O-N 3.4Å; D6-L8 VanDerWaalsContact C-N 3.32Å; D6-L8 PolarHBondContact O-N 3.02Å; L8-R11 PolarHBondContact O-N 3.27Å |
| 9 | D | 53 | Low | 53.5 | Low | 126 Ų | 126 | 121.4 Ų | 121.4 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.5 | -38.1 | 176.7 | -163.2 | 72.8 | 0 | 0 | 0 | 111.7 | R11 L12 | D9-R11 PolarHBondContact O-N 3.47Å; D9-L12 PolarHBondContact O-N 3.11Å |
| 10 | A | 56.2 | Low | 53.5 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 55% | 0.545 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -64.5 | -22 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 11 | R | 50.5 | Low | 53.4 | Low | 190 Ų | 190 | 123 Ų | 123 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -90.8 | -13.5 | -176.8 | -164.2 | 161.9 | 168.2 | 171 | -5.9 | 113.6 | L8 D9 | L8-R11 PolarHBondContact O-N 3.27Å; D9-R11 PolarHBondContact O-N 3.47Å |
| 12 | L | 54.6 | Low | 53.4 | Low | 125 Ų | 125 | 114 Ų | 114 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -85.1 | -28.6 | 171.9 | -84.3 | 150.4 | 0 | 0 | 0 | 112.1 | D9 M14 | D9-L12 PolarHBondContact O-N 3.11Å; L12-M14 VanDerWaalsContact C-N 3.32Å; L12-M14 PolarHBondContact O-N 3.49Å |
| 13 | G | 49.6 | Very low | 53.2 | Low | 59 Ų | 59 | 113.3 Ų | 113.3 | 61% | 0.608 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 14 | M | 55.9 | Low | 52.7 | Low | 149 Ų | 149 | 120.1 Ų | 120.1 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -7.9 | -178.3 | -63.9 | -154 | -55.8 | 0 | 0 | 114.8 | L12 | L12-M14 VanDerWaalsContact C-N 3.32Å; L12-M14 PolarHBondContact O-N 3.49Å |
| 15 | K | 51.8 | Low | 52.1 | Low | 159 Ų | 159 | 120.8 Ų | 120.8 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.6 | -32.2 | -178.8 | -83.2 | 172.4 | 169.7 | -177.6 | 0 | 113.1 | A17 | K15-A17 VanDerWaalsContact C-N 3.31Å; K15-A17 PolarHBondContact O-N 3.43Å |
| 16 | D | 51.3 | Low | 51.7 | Low | 118 Ų | 118 | 120.9 Ų | 120.9 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.5 | -13.1 | 175.7 | -66.3 | -85 | 0 | 0 | 0 | 114.2 | ||
| 17 | A | 50.6 | Low | 51.4 | Low | 58 Ų | 58 | 124 Ų | 124 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -76.7 | -30 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K15 | K15-A17 VanDerWaalsContact C-N 3.31Å; K15-A17 PolarHBondContact O-N 3.43Å |
| 18 | A | 51.3 | Low | 51 | Low | 77 Ų | 77 | 126.8 Ų | 126.8 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74 | -31.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L20 | A18-L20 VanDerWaalsContact C-N 3.34Å |
| 19 | E | 50.9 | Low | 50.3 | Low | 144 Ų | 144 | 127.3 Ų | 127.3 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -74.9 | -25.5 | -179.5 | -148.3 | 176 | 118.5 | 0 | 0 | 112.5 | ||
| 20 | L | 53 | Low | 50 | Low | 138 Ų | 138 | 133.3 Ų | 133.3 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -80.7 | -15.1 | 179.8 | -107.7 | 159.3 | 0 | 0 | 0 | 114.5 | A18 | A18-L20 VanDerWaalsContact C-N 3.34Å |
| 21 | L | 52.2 | Low | 49.4 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -87 | -30.8 | 169.4 | -102 | 92.1 | 0 | 0 | 0 | 112.9 | H23 | L21-H23 PolarHBondContact O-N 2.61Å |
| 22 | G | 50.3 | Low | 48.9 | Very low | 52 Ų | 52 | 132.6 Ų | 132.6 | 54% | 0.536 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -69 | -29.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R24 | G22-R24 PolarHBondContact O-N 2.98Å |
| 23 | H | 48 | Very low | 48 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 64% | 0.644 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -11.7 | -176.9 | -101.9 | -86.2 | 0 | 0 | 0 | 115.1 | L21 | L21-H23 PolarHBondContact O-N 2.61Š|
| 24 | R | 48.3 | Very low | 47.6 | Very low | 227 Ų | 227 | 131.3 Ų | 131.3 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -11.8 | -177.8 | -146.2 | 172.8 | 80 | -160.3 | 4.4 | 113.9 | G22 | G22-R24 PolarHBondContact O-N 2.98Š|
| 25 | E | 44.8 | Very low | 46.9 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -11.8 | 174.8 | -63.6 | -154.6 | 108.6 | 0 | 0 | 113.7 | L27 | E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.29Å |
| 26 | A | 46.1 | Very low | 47.1 | Very low | 70 Ų | 70 | 128.7 Ų | 128.7 | 58% | 0.579 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 27 | L | 46.8 | Very low | 46.3 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 6.6 | 177.9 | -64.5 | 180 | 0 | 0 | 0 | 114.1 | E25 | E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.29Å |
| 28 | K | 48.8 | Very low | 45.9 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -119.1 | 29.1 | 178.8 | -164.3 | 79.5 | 87.6 | 170.2 | 0 | 112.7 | ||
| 29 | C | 43.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -140.7 | 70.3 | 169.1 | -77.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 30 | R | 45.8 | Very low | 44.8 | Very low | 251 Ų | 251 | 136.9 Ų | 136.9 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -140.4 | 66.5 | 155.2 | -141 | 176.6 | -159 | -148.6 | 3.6 | 109.5 | ||||
| 31 | L | 43.1 | Very low | 44.9 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -49.6 | 139.6 | 144.1 | -76.7 | 117.7 | 0 | 0 | 0 | 107.3 | ||||
| 32 | G | 39.5 | Very low | 44.4 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | 97.8 | 116.5 | 62.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 33 | G | 36.7 | Very low | 44 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | 139.7 | 109.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 34 | G | 41.1 | Very low | 43.8 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | cis | 96.9 | 86.1 | 28.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 35 | V | 41.5 | Very low | 43.5 | Very low | 138 Ų | 138 | 132.2 Ų | 132.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -145.9 | 127.6 | 167.8 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 36 | P | 56 | Low | 44.2 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -96.3 | 159.5 | 169.1 | 37.2 | -28.9 | 0 | 0 | 0 | 111.4 | ||||
| 37 | D | 34.4 | Very low | 43.8 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | 154.5 | 118.9 | 124.5 | -159.5 | -122 | 0 | 0 | 0 | 114.1 | |||||
| 38 | Q | 41.2 | Very low | 43.8 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | trans | 23.7 | 139.8 | 145.8 | -64.5 | 177.4 | 78.3 | 0 | 0 | 123.7 | ||||
| 39 | G | 35.5 | Very low | 43.1 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 161.7 | 75.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 40 | H | 44.3 | Very low | 43.1 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -87.4 | 157.7 | 150.1 | -120.3 | 68.6 | 0 | 0 | 0 | 107.3 | ||||
| 41 | P | 55.7 | Low | 43 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | -154.3 | -178.9 | 52.7 | 38.8 | -15.8 | 0 | 0 | 0 | 117 | |||||
| 42 | G | 42 | Very low | 43.1 | Very low | 63 Ų | 63 | 119.8 Ų | 119.8 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | 138.6 | 78.4 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 43 | D | 40.7 | Very low | 43 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 47.7 | 113.5 | 81.1 | -154.3 | -93 | 0 | 0 | 0 | 113.4 | |||||
| 44 | M | 43.5 | Very low | 43 | Very low | 175 Ų | 175 | 121.5 Ų | 121.5 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | 166 | 107.8 | 130.8 | -73.3 | -108.9 | 138 | 0 | 0 | 109.6 | ||||
| 45 | A | 43.1 | Very low | 43.1 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -108.2 | 152.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 46 | P | 58.2 | Low | 43.1 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | -147.3 | 155.3 | 85.1 | 31.1 | -9.7 | 0 | 0 | 0 | 113.9 | |||||
| 47 | G | 38.7 | Very low | 42.5 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 80.9 | 138.9 | 104.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 48 | S | 45.8 | Very low | 43.6 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | cis | -172.8 | 163 | 6.9 | -54.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 49 | D | 34.7 | Very low | 43.7 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 98.5 | 115.7 | 144.2 | -144.1 | -123.4 | 0 | 0 | 0 | 121.8 | ||||
| 50 | S | 42.9 | Very low | 43.8 | Very low | 87 Ų | 87 | 126.2 Ų | 126.2 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | trans | 52.9 | 145.9 | 131.6 | -68.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 51 | V | 44.2 | Very low | 43.6 | Very low | 116 Ų | 116 | 124 Ų | 124 | 70% | 0.703 | 77% | 0.774 | S | S | * | * | cis | -170.1 | 151.3 | 12.4 | -100.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 52 | E | 44.8 | Very low | 43.1 | Very low | 191 Ų | 191 | 125.7 Ų | 125.7 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | 35.4 | 138.5 | 141.6 | -55.7 | -176.6 | 126.7 | 0 | 0 | 123.8 | ||||
| 53 | G | 37.9 | Very low | 43.1 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 132.8 | 92.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 54 | T | 37.7 | Very low | 43.5 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | 91.6 | 120.2 | 82.9 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 55 | T | 41.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 73 | 123.5 | 150 | 52.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 56 | L | 42 | Very low | 43.1 | Very low | 158 Ų | 158 | 125 Ų | 125 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | 89.1 | 135.8 | 128.9 | -68.4 | 166.4 | 0 | 0 | 0 | 120.9 | |||||
| 57 | L | 43.6 | Very low | 42.3 | Very low | 158 Ų | 158 | 124.4 Ų | 124.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -62.4 | -167.5 | 175.3 | -54.5 | 167.4 | 0 | 0 | 0 | 112.6 | ||||
| 58 | P | 56.8 | Low | 42.5 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | -131.1 | 159.7 | -63 | 35.7 | -19.5 | 0 | 0 | 0 | 112.8 | |||||
| 59 | G | 43.8 | Very low | 42.2 | Very low | 78 Ų | 78 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 66 | 128.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 60 | E | 38.6 | Very low | 42.3 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -160.1 | 132.8 | 140.3 | 54 | -167.8 | 140.6 | 0 | 0 | 111.9 | ||||
| 61 | D | 40.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 139.1 | 161.8 | 45.9 | -78.4 | 0 | 0 | 0 | 111.7 | ||||
| 62 | I | 44.5 | Very low | 41.5 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -93.7 | 109 | 174.8 | -155.2 | 165.5 | 0 | 0 | 0 | 109.2 | ||||
| 63 | T | 41.3 | Very low | 42.3 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -102.8 | 119.9 | 157.5 | 48 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 64 | T | 49.5 | Very low | 42.4 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -89.8 | 123.5 | 177.6 | -137.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 65 | V | 41.9 | Very low | 42.3 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -41.9 | 157.7 | 163.9 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 66 | G | 37 | Very low | 42 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 170.2 | -173.3 | 19 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 67 | S | 40.8 | Very low | 41.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -169.2 | 129.3 | -6.9 | -89.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 68 | N | 42.9 | Very low | 41.8 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -8.2 | 147.6 | 157 | -57.4 | -5.9 | 0 | 0 | 0 | 119.7 | ||||
| 69 | S | 39 | Very low | 40.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | 175 | 134.8 | 95.4 | -73 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 70 | A | 37.2 | Very low | 40.7 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | 63 | 132.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 71 | G | 33.1 | Very low | 40.7 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 142.3 | 106.2 | 148 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 72 | M | 37.4 | Very low | 40.7 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | trans | -84.6 | -165.2 | 170.1 | -59.5 | -146.8 | 87 | 0 | 0 | 111.8 | ||||
| 73 | P | 62.3 | Low | 40.5 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | -121.7 | 163.7 | -83.5 | 36.7 | -20.3 | 0 | 0 | 0 | 112.3 | |||||
| 74 | V | 39.5 | Very low | 40.6 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -165.7 | 143.9 | 151.8 | 121.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 75 | N | 35.1 | Very low | 40.5 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | trans | -69.4 | 143.5 | -175.3 | -176.3 | 72.3 | 0 | 0 | 0 | 114.5 | ||||
| 76 | G | 36.2 | Very low | 40.7 | Very low | 72 Ų | 72 | 146.5 Ų | 146.5 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -179.7 | 88.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 77 | K | 37.3 | Very low | 41 | Very low | 189 Ų | 189 | 151.9 Ų | 151.9 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -24.3 | 133.1 | 166.5 | -61.7 | 169.5 | 172.3 | -178.3 | 0 | 116.4 | ||||
| 78 | Q | 42.7 | Very low | 41.2 | Very low | 204 Ų | 204 | 154.8 Ų | 154.8 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | -164.1 | 147.9 | 124.6 | -103.5 | 166.3 | 21 | 0 | 0 | 111.3 | |||||
| 79 | E | 38.7 | Very low | 41.3 | Very low | 169 Ų | 169 | 156.7 Ų | 156.7 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -107.7 | 171.7 | -155.2 | -160.7 | 168.4 | 96.4 | 0 | 0 | 110.6 | ||||
| 80 | Q | 40 | Very low | 41.5 | Very low | 160 Ų | 160 | 159.5 Ų | 159.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | 78.4 | 139.3 | 165.4 | -69.5 | 173.8 | 6.5 | 0 | 0 | 117.3 | ||||
| 81 | E | 38.2 | Very low | 41.7 | Very low | 159 Ų | 159 | 161.9 Ų | 161.9 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | cis | -179.4 | 114.5 | -7.3 | -176.2 | 174.5 | 110.8 | 0 | 0 | 103.4 | ||||
| 82 | K | 39.9 | Very low | 42.2 | Very low | 187 Ų | 187 | 164 Ų | 164 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | 171.8 | 109.7 | 113.6 | -128 | 173.4 | 167.1 | -174.5 | 0 | 105.8 | |||||
| 83 | Q | 41.4 | Very low | 42.3 | Very low | 165 Ų | 165 | 163.3 Ų | 163.3 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | 36.6 | 128.6 | 79.6 | -75.7 | -176.8 | 30.2 | 0 | 0 | 112.7 | |||||
| 84 | Q | 42.9 | Very low | 41.4 | Very low | 165 Ų | 165 | 167.4 Ų | 167.4 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | cis | -174.6 | 132.3 | 5 | -155 | 166.8 | 57 | 0 | 0 | 101.7 | ||||
| 85 | Q | 46.9 | Very low | 41.5 | Very low | 193 Ų | 193 | 165.5 Ų | 165.5 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | -165.9 | 116.1 | 96.6 | -148 | 161.3 | 41 | 0 | 0 | 110.3 | |||||
| 86 | Q | 45.5 | Very low | 41.7 | Very low | 181 Ų | 181 | 164 Ų | 164 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -115.7 | 120.8 | 171.3 | 177.3 | -177.6 | 57.7 | 0 | 0 | 105.3 | ||||
| 87 | Q | 44.2 | Very low | 42.1 | Very low | 184 Ų | 184 | 164.3 Ų | 164.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 171.8 | 99.9 | 148.8 | -101.3 | 171.2 | 31.4 | 0 | 0 | 111.7 | ||||
| 88 | Q | 44 | Very low | 42.2 | Very low | 178 Ų | 178 | 163.8 Ų | 163.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | -174.5 | 91.2 | 114 | -107.7 | 174.7 | 20.2 | 0 | 0 | 110 | |||||
| 89 | Q | 45.7 | Very low | 42.5 | Very low | 193 Ų | 193 | 160.5 Ų | 160.5 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -82.8 | 125.5 | 142.3 | -87.1 | 174.7 | 4.7 | 0 | 0 | 106.7 | ||||
| 90 | Q | 43.2 | Very low | 43 | Very low | 172 Ų | 172 | 155.5 Ų | 155.5 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -152.8 | 105 | 153.4 | -108.2 | 168.8 | 63.4 | 0 | 0 | 108.7 | ||||
| 91 | Q | 41.9 | Very low | 43.4 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -60.6 | 158.9 | 149.5 | -86.2 | 175.6 | 0.1 | 0 | 0 | 109.3 | ||||
| 92 | P | 43.3 | Very low | 43.9 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -122.3 | 111.2 | 135.1 | 29.4 | -16.7 | 0 | 0 | 0 | 110 | ||||
| 93 | Q | 40.4 | Very low | 44.8 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -84.8 | 116.3 | 146.3 | -69.8 | -171.3 | -0.1 | 0 | 0 | 107.1 | ||||
| 94 | Q | 43 | Very low | 45.8 | Very low | 193 Ų | 193 | 155.2 Ų | 155.2 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -132.8 | 130.1 | 153 | -75 | -165.8 | -6 | 0 | 0 | 109.3 | ||||
| 95 | S | 41.1 | Very low | 46.9 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -82.8 | 166.7 | -174.5 | 46.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 96 | S | 39.3 | Very low | 48.2 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 82.6 | 101.9 | 158 | 65.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 97 | G | 43.9 | Very low | 49.8 | Very low | 78 Ų | 78 | 158.4 Ų | 158.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 70.9 | 74.5 | 118.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 98 | Q | 41 | Very low | 51.6 | Low | 178 Ų | 178 | 157.7 Ų | 157.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -133.9 | 106.9 | 147.5 | -72.6 | -172.4 | 14.5 | 0 | 0 | 109.5 | A100 | Q98-A100 PolarHBondContact O-N 3.27Š| ||
| 99 | S | 49.1 | Very low | 53.8 | Low | 134 Ų | 134 | 160.4 Ų | 160.4 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | trans | -64.2 | 67.1 | 160.1 | 37.3 | 0 | 0 | 0 | 0 | 109.8 | S101 | S99-S101 PolarHBondContact O-N 3.47Š| ||
| 100 | A | 47.3 | Very low | 56 | Low | 64 Ų | 64 | 153.4 Ų | 153.4 | 53% | 0.529 | 79% | 0.787 | S | S | . | * | trans | -93.2 | 95.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q98 Q102 | Q98-A100 PolarHBondContact O-N 3.27Å; A100-Q102 PolarHBondContact O-N 3.32Å | ||
| 101 | S | 49.1 | Very low | 58.5 | Low | 98 Ų | 98 | 156.4 Ų | 156.4 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 14.5 | 87 | 149.4 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | S99 Q103 | S99-S101 PolarHBondContact O-N 3.47Å; S101-Q103 PolarHBondContact O-N 3.15Å | ||
| 102 | Q | 49.4 | Very low | 61.1 | Low | 196 Ų | 196 | 151.5 Ų | 151.5 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -67 | 79.3 | 164.7 | -69.9 | -154.1 | 1.4 | 0 | 0 | 108.4 | A100 K104 | A100-Q102 PolarHBondContact O-N 3.32Å; Q102-K104 VanDerWaalsContact C-N 3.33Å; Q102-K104 PolarHBondContact O-N 2.94Å | ||
| 103 | Q | 58.2 | Low | 63.7 | Low | 166 Ų | 166 | 148.8 Ų | 148.8 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -55.2 | 104.8 | 164 | -73.7 | -173.5 | -9.5 | 0 | 0 | 106.1 | S101 Q105 | S101-Q103 PolarHBondContact O-N 3.15Å; Q103-Q105 VanDerWaalsContact C-N 3.33Å; Q103-Q105 PolarHBondContact O-N 3.26Å | ||
| 104 | K | 61.4 | Low | 66.5 | Low | 206 Ų | 206 | 145.6 Ų | 145.6 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | trans | -35.6 | 91.3 | 177.3 | -163.1 | 169.9 | -173.1 | 172.3 | 0 | 110.5 | Q102 K106 | Q102-K104 VanDerWaalsContact C-N 3.33Å; Q102-K104 PolarHBondContact O-N 2.94Å; K104-K106 PolarHBondContact O-N 3.47Å | ||
| 105 | Q | 66.1 | Low | 69.1 | Low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 117.1 | -178.1 | -77.8 | -162.6 | -8.1 | 0 | 0 | 107.9 | Q103 R107 | Q103-Q105 VanDerWaalsContact C-N 3.33Å; Q103-Q105 PolarHBondContact O-N 3.26Å; Q105-R107 PolarHBondContact O-N 3.32Å |
| 106 | K | 75.9 | Confident | 71.8 | Confident | 195 Ų | 195 | 135.8 Ų | 135.8 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 122.4 | 179.7 | -171.1 | 171.6 | -179.2 | 176.4 | 0 | 107.8 | K104 H108 | K104-K106 PolarHBondContact O-N 3.47Å; K106-H108 PolarHBondContact O-N 2.83Å |
| 107 | R | 79 | Confident | 74.6 | Confident | 237 Ų | 237 | 133.1 Ų | 133.1 | 89% | 0.894 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 126.3 | 179.5 | -67.8 | -177.9 | 179.2 | -176.6 | -1.2 | 109.8 | Q105 R109 | Q105-R107 PolarHBondContact O-N 3.32Å; R107-R109 PolarHBondContact O-N 3.37Å |
| 108 | H | 81.7 | Confident | 77.2 | Confident | 169 Ų | 169 | 133.8 Ų | 133.8 | 78% | 0.782 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -61 | 122.2 | 176 | -70.4 | 87.6 | 0 | 0 | 0 | 109.7 | K106 | K106-H108 PolarHBondContact O-N 2.83Š|
| 109 | R | 89.9 | Confident | 80 | Confident | 234 Ų | 234 | 126.9 Ų | 126.9 | 88% | 0.883 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 128.8 | 178.8 | -175.7 | 177.7 | -179.2 | 179.5 | 1 | 109.3 | R107 R111 | R107-R109 PolarHBondContact O-N 3.37Å; R109-R111 PolarHBondContact O-N 3.46Å |
| 110 | T | 91.7 | Very high | 82.3 | Confident | 47 Ų | 47 | 120.5 Ų | 120.5 | 29% | 0.288 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 129.7 | 172.3 | -46.2 | 0 | 0 | 0 | 0 | 110.5 | F112 L144 R148 | T110-F112 HydrophobicContact CG2-CD1 4.32Å; T110-F112 HydrophobicContact CG2-CE1 4.02Å; T110-L144 HydrophobicContact CG2-CD2 4.1Å; T110-R148 WeakPolarHBondContact OG1-CD 3.46Å |
| 111 | R | 95.3 | Very high | 84.8 | Confident | 235 Ų | 235 | 121.1 Ų | 121.1 | 89% | 0.887 | 57% | 0.572 | S | S | * | * | trans | -106.4 | 121.5 | 169.7 | -152.5 | 174.2 | 85.5 | -146.9 | 7.3 | 107.7 | R109 | R109-R111 PolarHBondContact O-N 3.46Š| ||
| 112 | F | 97.5 | Very high | 87.1 | Confident | 56 Ų | 56 | 123.3 Ų | 123.3 | 25% | 0.246 | 57% | 0.566 | C | S | . | * | trans | -80.5 | 140.7 | -178.3 | -56 | -69 | 0 | 0 | 0 | 110.4 | T110 L117 L144 R148 W152 | T110-F112 HydrophobicContact CG2-CD1 4.32Å; T110-F112 HydrophobicContact CG2-CE1 4.02Å; F112-L117 HydrophobicContact CB-CD1 4.46Å; F112-L117 HydrophobicContact CB-CD2 3.69Å; F112-L117 HydrophobicContact CB-CG 3.81Å; F112-L117 HydrophobicContact CD2-CD2 4.12Å; F112-L117 HydrophobicContact CG-CD2 4.11Å; F112-L144 HydrophobicContact CD1-CD1 3.64Å; F112-L144 HydrophobicContact CD1-CD2 4.41Å; F112-L144 HydrophobicContact CE1-CD1 3.57Å; F112-L144 HydrophobicContact CE1-CD2 4.4Å; F112-R148 HydrophobicContact CE1-CB 4.49Å; F112-W152 AromaticContact CD2-CD1 3.88Å; F112-W152 AromaticContact CE2-CD1 3.57Å; F112-W152 HydrophobicContact CE2-CG 4.47Å; F112-W152 HydrophobicContact CZ-CB 4.28Å; F112-W152 AromaticContact CZ-CD1 3.97Å | ||
| 113 | T | 98.3 | Very high | 89.4 | Confident | 69 Ų | 69 | 114.6 Ų | 114.6 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | trans | -75 | 158.7 | 170.4 | 72.4 | 0 | 0 | 0 | 0 | 110.3 | A115 Q116 L117 | T113-A115 VanDerWaalsContact C-N 3.27Å; T113-A115 PolarHBondContact O-N 2.93Å; T113-Q116 PolarHBondContact O-N 3.36Å; T113-Q116 VanDerWaalsContact OG1-CG 3.23Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.24Å; T113-Q116 PolarHBondContact OG1-N 3.41Å; T113-L117 WeakPolarHBondContact O-CG 3.47Å; T113-L117 PolarHBondContact O-N 2.99Å | ||
| 114 | P | 98 | Very high | 91.3 | Very high | 100 Ų | 100 | 107.3 Ų | 107.3 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.5 | -40.2 | 176.4 | -26.5 | 35.5 | 0 | 0 | 0 | 113.2 | Q116 L117 N118 | P114-Q116 PolarHBondContact O-N 3.32Å; P114-L117 PolarHBondContact O-N 3.19Å; P114-N118 PolarHBondContact O-N 3.04Å; P114-N118 PolarHBondContact O-ND2 3.18Å |
| 115 | A | 98 | Very high | 93 | Very high | 69 Ų | 69 | 101.5 Ų | 101.5 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T113 N118 E119 | T113-A115 VanDerWaalsContact C-N 3.27Å; T113-A115 PolarHBondContact O-N 2.93Å; A115-N118 PolarHBondContact O-N 2.9Å; A115-E119 PolarHBondContact O-N 3.21Å; A115-E119 VanDerWaalsContact O-N 3.15Å |
| 116 | Q | 98.3 | Very high | 94.6 | Very high | 30 Ų | 30 | 101.8 Ų | 101.8 | 14% | 0.14 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.4 | -68.7 | 172.3 | -25.1 | 0 | 0 | 111.3 | T113 P114 N118 E119 L120 I142 | T113-Q116 PolarHBondContact O-N 3.36Å; T113-Q116 VanDerWaalsContact OG1-CG 3.23Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.24Å; T113-Q116 PolarHBondContact OG1-N 3.41Å; P114-Q116 PolarHBondContact O-N 3.32Å; Q116-N118 VanDerWaalsContact C-N 3.34Å; Q116-N118 PolarHBondContact O-N 3.31Å; Q116-E119 PolarHBondContact O-N 2.88Å; Q116-L120 WeakPolarHBondContact O-CB 3.41Å; Q116-L120 WeakPolarHBondContact O-CD1 3.42Å; Q116-L120 VanDerWaalsContact O-CG 3.24Å; Q116-L120 WeakPolarHBondContact O-CG 3.28Å; Q116-L120 PolarHBondContact O-N 2.93Å; Q116-I142 HydrophobicContact CG-CB 4.15Å; Q116-I142 PolarHBondContact NE2-O 3.43Å |
| 117 | L | 98.5 | Very high | 95.6 | Very high | 60 Ų | 60 | 94.5 Ų | 94.5 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.6 | -68 | 175 | 0 | 0 | 0 | 111.7 | F112 T113 P114 E119 L120 E121 | F112-L117 HydrophobicContact CB-CD1 4.46Å; F112-L117 HydrophobicContact CB-CD2 3.69Å; F112-L117 HydrophobicContact CB-CG 3.81Å; F112-L117 HydrophobicContact CD2-CD2 4.12Å; F112-L117 HydrophobicContact CG-CD2 4.11Å; T113-L117 WeakPolarHBondContact O-CG 3.47Å; T113-L117 PolarHBondContact O-N 2.99Å; P114-L117 PolarHBondContact O-N 3.19Å; L117-E119 PolarHBondContact O-N 3.38Å; L117-L120 PolarHBondContact O-N 3.08Å; L117-E121 WeakPolarHBondContact O-CB 3.23Å; L117-E121 WeakPolarHBondContact O-CG 3.23Å; L117-E121 PolarHBondContact O-N 2.95Å |
| 118 | N | 98.3 | Very high | 96.5 | Very high | 93 Ų | 93 | 86.2 Ų | 86.2 | 50% | 0.497 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 178.1 | -75 | -22.4 | 0 | 0 | 0 | 112.5 | P114 A115 Q116 R122 | P114-N118 PolarHBondContact O-N 3.04Å; P114-N118 PolarHBondContact O-ND2 3.18Å; A115-N118 PolarHBondContact O-N 2.9Å; Q116-N118 VanDerWaalsContact C-N 3.34Å; Q116-N118 PolarHBondContact O-N 3.31Å; N118-R122 WeakPolarHBondContact O-CB 3.22Å; N118-R122 VanDerWaalsContact O-CG 3.28Å; N118-R122 WeakPolarHBondContact O-CG 3.47Å; N118-R122 PolarHBondContact O-N 3.47Å; N118-R122 PolarHBondContact O-NE 3.18Å |
| 119 | E | 98.4 | Very high | 97.3 | Very high | 32 Ų | 32 | 86.2 Ų | 86.2 | 15% | 0.15 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 176 | -173.1 | 65.1 | -147.3 | 0 | 0 | 111.5 | A115 Q116 L117 E121 R122 S123 L138 R141 I142 | A115-E119 PolarHBondContact O-N 3.21Å; A115-E119 VanDerWaalsContact O-N 3.15Å; Q116-E119 PolarHBondContact O-N 2.88Å; L117-E119 PolarHBondContact O-N 3.38Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E119-E121 PolarHBondContact O-N 2.96Å; E119-R122 PolarHBondContact O-N 3.16Å; E119-R122 IonicContact OE2-CZ 3.93Å; E119-R122 IonicContact OE2-NE 3.29Å; E119-R122 IonicContact OE2-NH1 2.61Å; E119-R122 PolarHBondContact OE2-NH1 2.95Å; E119-R122 IonicContact OE2-NH2 3.01Å; E119-R122 PolarHBondContact OE2-NH2 3.11Å; E119-S123 PolarHBondContact O-N 3.43Å; E119-L138 HydrophobicContact CG-CD1 3.64Å; E119-R141 IonicContact OE1-CZ 3.3Å; E119-R141 IonicContact OE1-NH1 2.88Å; E119-R141 PolarHBondContact OE1-NH1 3.48Å; E119-I142 HydrophobicContact CB-CG2 3.73Å; E119-I142 HydrophobicContact CG-CG2 3.52Å |
| 120 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 175.1 | -72.5 | 163.5 | 0 | 0 | 0 | 112 | Q116 L117 F124 L138 I142 V149 W152 F153 | Q116-L120 WeakPolarHBondContact O-CB 3.41Å; Q116-L120 WeakPolarHBondContact O-CD1 3.42Å; Q116-L120 VanDerWaalsContact O-CG 3.24Å; Q116-L120 WeakPolarHBondContact O-CG 3.28Å; Q116-L120 PolarHBondContact O-N 2.93Å; L117-L120 PolarHBondContact O-N 3.08Å; L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 PolarHBondContact O-N 3Å; L120-L138 HydrophobicContact CD2-CD2 3.88Å; L120-L138 HydrophobicContact CD2-CG 4.45Å; L120-I142 HydrophobicContact CD1-CD1 4.18Å; L120-I142 HydrophobicContact CD2-CD1 3.77Å; L120-I142 HydrophobicContact CG-CD1 3.78Å; L120-V149 HydrophobicContact CD2-CG1 4.09Å; L120-V149 HydrophobicContact CD2-CG2 4.42Å; L120-W152 HydrophobicContact CB-CD2 4.02Å; L120-W152 HydrophobicContact CB-CE3 3.98Å; L120-W152 HydrophobicContact CB-CH2 3.64Å; L120-W152 HydrophobicContact CB-CZ2 3.65Å; L120-W152 HydrophobicContact CB-CZ3 3.8Å; L120-W152 HydrophobicContact CD1-CD2 3.92Å; L120-W152 HydrophobicContact CD1-CG 3.91Å; L120-W152 HydrophobicContact CD2-CD2 4.2Å; L120-W152 HydrophobicContact CD2-CE3 4.07Å; L120-W152 HydrophobicContact CD2-CG 4.5Å; L120-W152 HydrophobicContact CG-CD2 4.29Å; L120-W152 HydrophobicContact CG-CE3 4.44Å; L120-F153 HydrophobicContact CD2-CE2 4.01Å |
| 121 | E | 98.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 36% | 0.36 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.6 | -39.4 | 177.5 | -71.3 | -167.1 | 158.6 | 0 | 0 | 112.5 | L117 E119 S123 F124 A125 W152 R156 | L117-E121 WeakPolarHBondContact O-CB 3.23Å; L117-E121 WeakPolarHBondContact O-CG 3.23Å; L117-E121 PolarHBondContact O-N 2.95Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E119-E121 PolarHBondContact O-N 2.96Å; E121-S123 VanDerWaalsContact C-N 3.35Å; E121-S123 PolarHBondContact O-N 3.49Å; E121-F124 WeakPolarHBondContact O-CB 3.46Å; E121-F124 PolarHBondContact O-N 3.44Å; E121-A125 PolarHBondContact O-N 3.34Å; E121-W152 HydrophobicContact CG-CH2 3.86Å; E121-W152 HydrophobicContact CG-CZ2 3.86Å; E121-R156 IonicContact OE1-CZ 3.83Å; E121-R156 VanDerWaalsContact OE1-CZ 3.25Å; E121-R156 IonicContact OE1-NH1 2.75Å; E121-R156 PolarHBondContact OE1-NH1 3.43Å; E121-R156 IonicContact OE1-NH2 2.83Å; E121-R156 PolarHBondContact OE1-NH2 3.41Å |
| 122 | R | 98.3 | Very high | 98.1 | Very high | 145 Ų | 145 | 69 Ų | 69 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 172.1 | -80.7 | -177.4 | -73.2 | 157.1 | -0.8 | 111.8 | N118 E119 A125 | N118-R122 WeakPolarHBondContact O-CB 3.22Å; N118-R122 VanDerWaalsContact O-CG 3.28Å; N118-R122 WeakPolarHBondContact O-CG 3.47Å; N118-R122 PolarHBondContact O-N 3.47Å; N118-R122 PolarHBondContact O-NE 3.18Å; E119-R122 PolarHBondContact O-N 3.16Å; E119-R122 IonicContact OE2-CZ 3.93Å; E119-R122 IonicContact OE2-NE 3.29Å; E119-R122 IonicContact OE2-NH1 2.61Å; E119-R122 PolarHBondContact OE2-NH1 2.95Å; E119-R122 IonicContact OE2-NH2 3.01Å; E119-R122 PolarHBondContact OE2-NH2 3.11Å; R122-A125 PolarHBondContact O-N 3.43Å |
| 123 | S | 97.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 73.3 Ų | 73.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | E119 E121 A125 K126 T127 | E119-S123 PolarHBondContact O-N 3.43Å; E121-S123 VanDerWaalsContact C-N 3.35Å; E121-S123 PolarHBondContact O-N 3.49Å; S123-A125 VanDerWaalsContact C-N 3.3Å; S123-A125 PolarHBondContact O-N 2.93Å; S123-K126 WeakPolarHBondContact O-CB 3.36Å; S123-K126 PolarHBondContact O-N 3.3Å; S123-K126 VanDerWaalsContact O-N 3.16Å; S123-T127 PolarHBondContact O-N 3.44Å; S123-T127 VanDerWaalsContact O-N 3.11Å |
| 124 | F | 98.3 | Very high | 98.1 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 5% | 0.053 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.6 | -33.4 | 178.9 | -171.3 | -95.9 | 0 | 0 | 0 | 112.7 | L120 E121 K126 T127 H128 W152 F153 R156 R157 W160 | L120-F124 WeakPolarHBondContact O-CB 3.45Å; L120-F124 PolarHBondContact O-N 3Å; E121-F124 WeakPolarHBondContact O-CB 3.46Å; E121-F124 PolarHBondContact O-N 3.44Å; F124-K126 VanDerWaalsContact C-N 3.25Å; F124-K126 PolarHBondContact O-N 3.49Å; F124-T127 WeakPolarHBondContact CA-O 3.43Å; F124-T127 CarbonylContact O-C 3.57Å; F124-H128 AromaticContact CD1-CD2 3.46Å; F124-H128 VanDerWaalsContact CD1-CD2 3.46Å; F124-H128 WeakPolarHBondContact CD1-CD2 3.2Å; F124-H128 AromaticContact CD1-NE2 3.87Å; F124-H128 AromaticContact CD2-CD2 3.97Å; F124-H128 AromaticContact CE1-CD2 3.05Å; F124-H128 WeakPolarHBondContact CE1-CD2 3.36Å; F124-H128 AromaticContact CE1-NE2 3.37Å; F124-H128 WeakPolarHBondContact CE1-NE2 3.48Å; F124-H128 HydrophobicContact CE2-CB 4.02Å; F124-H128 AromaticContact CE2-CD2 3.61Å; F124-H128 AromaticContact CG-CD2 3.9Å; F124-H128 HydrophobicContact CZ-CB 4.15Å; F124-H128 AromaticContact CZ-CD2 3.13Å; F124-H128 WeakPolarHBondContact CZ-CD2 3.41Å; F124-H128 AromaticContact CZ-CG 3.81Å; F124-H128 AromaticContact CZ-NE2 3.83Å; F124-H128 PolarHBondContact O-CD2 2.84Å; F124-W152 HydrophobicContact CB-CH2 4.35Å; F124-W152 HydrophobicContact CB-CZ3 4.22Å; F124-W152 HydrophobicContact CD2-CZ3 4.3Å; F124-F153 HydrophobicContact CB-CE1 4.12Å; F124-F153 AromaticContact CD2-CD1 3.73Å; F124-F153 HydrophobicContact CD2-CD1 3.73Å; F124-F153 AromaticContact CD2-CE1 3.69Å; F124-F153 HydrophobicContact CD2-CE1 3.69Å; F124-F153 HydrophobicContact CE2-CD1 4.34Å; F124-F153 HydrophobicContact CG-CE1 4.4Å; F124-R156 HydrophobicContact CD1-CG 3.99Å; F124-R156 HydrophobicContact CD2-CB 4.22Å; F124-R156 HydrophobicContact CD2-CG 3.59Å; F124-R156 HydrophobicContact CE1-CG 3.84Å; F124-R156 HydrophobicContact CE2-CB 3.95Å; F124-R156 HydrophobicContact CE2-CG 3.45Å; F124-R156 VanDerWaalsContact CE2-CG 3.45Å; F124-R156 HydrophobicContact CG-CG 3.88Å; F124-R156 HydrophobicContact CZ-CB 4.4Å; F124-R156 HydrophobicContact CZ-CG 3.58Å; F124-R157 HydrophobicContact CE2-CG 3.89Å; F124-R157 HydrophobicContact CZ-CG 4.31Å; F124-W160 HydrophobicContact CZ-CB 4.41Å |
| 125 | A | 97.9 | Very high | 98.1 | Very high | 85 Ų | 85 | 71.2 Ų | 71.2 | 70% | 0.702 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.1 | -30.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E121 R122 S123 | E121-A125 PolarHBondContact O-N 3.34Å; R122-A125 PolarHBondContact O-N 3.43Å; S123-A125 VanDerWaalsContact C-N 3.3Å; S123-A125 PolarHBondContact O-N 2.93Å |
| 126 | K | 97.7 | Very high | 98.1 | Very high | 180 Ų | 180 | 72 Ų | 72 | 78% | 0.783 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -76.6 | -48.8 | 175.7 | -59.8 | 177.1 | -178.4 | -177.9 | 0 | 111.7 | S123 F124 | S123-K126 WeakPolarHBondContact O-CB 3.36Å; S123-K126 PolarHBondContact O-N 3.3Å; S123-K126 VanDerWaalsContact O-N 3.16Å; F124-K126 VanDerWaalsContact C-N 3.25Å; F124-K126 PolarHBondContact O-N 3.49Å |
| 127 | T | 97.5 | Very high | 98.2 | Very high | 42 Ų | 42 | 76 Ų | 76 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | trans | -148.6 | 134.4 | 176.4 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | S123 F124 Y129 P130 M134 | S123-T127 PolarHBondContact O-N 3.44Å; S123-T127 VanDerWaalsContact O-N 3.11Å; F124-T127 WeakPolarHBondContact CA-O 3.43Å; F124-T127 CarbonylContact O-C 3.57Å; T127-Y129 VanDerWaalsContact C-N 3.31Å; T127-Y129 PolarHBondContact OG1-N 3.4Å; T127-Y129 PolarHBondContact OG1-O 2.98Å; T127-P130 HydrophobicContact CG2-CB 4.19Å; T127-M134 HydrophobicContact CG2-CE 3.69Å; T127-M134 HydrophobicContact CG2-SD 4.27Å | ||
| 128 | H | 97.8 | Very high | 98.1 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.287 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -77.9 | -18.9 | 174.6 | -59.4 | 139.6 | 0 | 0 | 0 | 113 | F124 P130 R157 | F124-H128 AromaticContact CD1-CD2 3.46Å; F124-H128 VanDerWaalsContact CD1-CD2 3.46Å; F124-H128 WeakPolarHBondContact CD1-CD2 3.2Å; F124-H128 AromaticContact CD1-NE2 3.87Å; F124-H128 AromaticContact CD2-CD2 3.97Å; F124-H128 AromaticContact CE1-CD2 3.05Å; F124-H128 WeakPolarHBondContact CE1-CD2 3.36Å; F124-H128 AromaticContact CE1-NE2 3.37Å; F124-H128 WeakPolarHBondContact CE1-NE2 3.48Å; F124-H128 HydrophobicContact CE2-CB 4.02Å; F124-H128 AromaticContact CE2-CD2 3.61Å; F124-H128 AromaticContact CG-CD2 3.9Å; F124-H128 HydrophobicContact CZ-CB 4.15Å; F124-H128 AromaticContact CZ-CD2 3.13Å; F124-H128 WeakPolarHBondContact CZ-CD2 3.41Å; F124-H128 AromaticContact CZ-CG 3.81Å; F124-H128 AromaticContact CZ-NE2 3.83Å; F124-H128 PolarHBondContact O-CD2 2.84Å; H128-P130 WeakPolarHBondContact O-CD 3.49Å; H128-R157 HydrophobicContact CB-CG 4.5Å; H128-R157 VanDerWaalsContact O-CD 3.31Å; H128-R157 WeakPolarHBondContact O-CD 3.43Å; H128-R157 PolarHBondContact O-NH1 2.75Å |
| 129 | Y | 98.2 | Very high | 98.1 | Very high | 169 Ų | 169 | 69.1 Ų | 69.1 | 66% | 0.663 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -126.3 | 74.5 | -177.3 | -65.7 | -92 | 0 | 0 | 0 | 109.2 | T127 R157 | T127-Y129 VanDerWaalsContact C-N 3.31Å; T127-Y129 PolarHBondContact OG1-N 3.4Å; T127-Y129 PolarHBondContact OG1-O 2.98Å; Y129-R157 VanDerWaalsContact CE1-CD 3.43Å |
| 130 | P | 97.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 74.7 Ų | 74.7 | 4% | 0.039 | 36% | 0.359 | C | S | . | . | trans | -67.5 | 139.2 | 177.3 | 29.7 | -36.9 | 0 | 0 | 0 | 110.5 | T127 H128 M134 R135 F153 | T127-P130 HydrophobicContact CG2-CB 4.19Å; H128-P130 WeakPolarHBondContact O-CD 3.49Å; P130-M134 HydrophobicContact CB-CB 4.05Å; P130-M134 HydrophobicContact CB-SD 4.45Å; P130-R135 HydrophobicContact CB-CG 3.92Å; P130-R135 HydrophobicContact CG-CG 3.68Å; P130-R135 PolarHBondContact O-NH1 3.08Å; P130-F153 HydrophobicContact CB-CE1 4.43Å; P130-F153 VanDerWaalsContact CD-CE1 3.5Å; P130-F153 HydrophobicContact CG-CD1 3.55Å; P130-F153 HydrophobicContact CG-CD2 4.1Å; P130-F153 HydrophobicContact CG-CE1 3.49Å; P130-F153 VanDerWaalsContact CG-CE1 3.49Å; P130-F153 HydrophobicContact CG-CE2 4.06Å; P130-F153 HydrophobicContact CG-CG 3.86Å; P130-F153 HydrophobicContact CG-CZ 3.77Å | ||
| 131 | D | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 80.6 Ų | 80.6 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | trans | -67.8 | 166.2 | 175 | -170.8 | 25.5 | 0 | 0 | 0 | 112 | F133 M134 R135 | D131-F133 VanDerWaalsContact C-N 3.35Å; D131-F133 PolarHBondContact O-N 2.8Å; D131-M134 HydrophobicContact CB-CG 4.33Å; D131-M134 HydrophobicContact CB-SD 4.42Å; D131-M134 PolarHBondContact O-N 3.19Å; D131-R135 WeakPolarHBondContact O-CG 3.36Å; D131-R135 PolarHBondContact O-N 3.45Å | ||
| 132 | I | 97.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 77.9 Ų | 77.9 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.3 | -50.8 | 179.7 | -175.4 | 60.7 | 0 | 0 | 0 | 111.7 | M134 R135 E136 E146 | I132-M134 VanDerWaalsContact C-N 3.33Å; I132-M134 PolarHBondContact O-N 2.89Å; I132-R135 PolarHBondContact O-N 3.24Å; I132-R135 VanDerWaalsContact O-N 3.08Å; I132-E136 HydrophobicContact CD1-CG 4.44Å; I132-E136 WeakPolarHBondContact O-CG 3.45Å; I132-E136 PolarHBondContact O-N 2.88Å; I132-E146 HydrophobicContact CD1-CG 4.03Å |
| 133 | F | 98.3 | Very high | 98.1 | Very high | 145 Ų | 145 | 74 Ų | 74 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 179.9 | -63.4 | -69 | 0 | 0 | 0 | 112.5 | D131 R135 E136 E137 | D131-F133 VanDerWaalsContact C-N 3.35Å; D131-F133 PolarHBondContact O-N 2.8Å; F133-R135 VanDerWaalsContact C-N 3.3Å; F133-R135 PolarHBondContact O-N 3.01Å; F133-E136 PolarHBondContact O-N 3.26Å; F133-E137 WeakPolarHBondContact O-CB 3.43Å; F133-E137 PolarHBondContact O-N 3.19Å |
| 134 | M | 98.1 | Very high | 98 | Very high | 80 Ų | 80 | 74.9 Ų | 74.9 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 176.5 | -63.1 | -178.7 | 71.6 | 0 | 0 | 111.8 | T127 P130 D131 I132 L138 | T127-M134 HydrophobicContact CG2-CE 3.69Å; T127-M134 HydrophobicContact CG2-SD 4.27Å; P130-M134 HydrophobicContact CB-CB 4.05Å; P130-M134 HydrophobicContact CB-SD 4.45Å; D131-M134 HydrophobicContact CB-CG 4.33Å; D131-M134 HydrophobicContact CB-SD 4.42Å; D131-M134 PolarHBondContact O-N 3.19Å; I132-M134 VanDerWaalsContact C-N 3.33Å; I132-M134 PolarHBondContact O-N 2.89Å; M134-L138 VanDerWaalsContact O-CB 3.22Å; M134-L138 WeakPolarHBondContact O-CB 3.38Å; M134-L138 PolarHBondContact O-N 3.15Å; M134-L138 VanDerWaalsContact O-N 3.08Å |
| 135 | R | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 78.3 Ų | 78.3 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.7 | -39 | 177.3 | -67.3 | -165.4 | -53.5 | -84.1 | -1.1 | 111.6 | P130 D131 I132 F133 L138 A139 E146 V149 | P130-R135 HydrophobicContact CB-CG 3.92Å; P130-R135 HydrophobicContact CG-CG 3.68Å; P130-R135 PolarHBondContact O-NH1 3.08Å; D131-R135 WeakPolarHBondContact O-CG 3.36Å; D131-R135 PolarHBondContact O-N 3.45Å; I132-R135 PolarHBondContact O-N 3.24Å; I132-R135 VanDerWaalsContact O-N 3.08Å; F133-R135 VanDerWaalsContact C-N 3.3Å; F133-R135 PolarHBondContact O-N 3.01Å; R135-L138 PolarHBondContact O-N 3.3Å; R135-A139 WeakPolarHBondContact O-CB 3.41Å; R135-A139 PolarHBondContact O-N 3.18Å; R135-E146 HydrophobicContact CB-CG 4.06Å; R135-E146 IonicContact CZ-OE1 3.25Å; R135-E146 VanDerWaalsContact CZ-OE1 3.26Å; R135-E146 IonicContact NE-OE1 3.78Å; R135-E146 PolarHBondContact NE-OE1 3.19Å; R135-E146 IonicContact NH2-OE1 2.72Å; R135-E146 PolarHBondContact NH2-OE1 3.41Å; R135-V149 HydrophobicContact CB-CG1 4.15Å; R135-V149 HydrophobicContact CG-CG1 4.15Å |
| 136 | E | 98.6 | Very high | 98 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 40% | 0.402 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 175.8 | -71.3 | 176.6 | 162.5 | 0 | 0 | 111.5 | I132 F133 L138 A139 L140 E146 | I132-E136 HydrophobicContact CD1-CG 4.44Å; I132-E136 WeakPolarHBondContact O-CG 3.45Å; I132-E136 PolarHBondContact O-N 2.88Å; F133-E136 PolarHBondContact O-N 3.26Å; E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 2.72Å; E136-A139 WeakPolarHBondContact O-CB 3.36Å; E136-A139 PolarHBondContact O-N 3.34Å; E136-L140 WeakPolarHBondContact O-CG 3.33Å; E136-L140 PolarHBondContact O-N 3.18Å; E136-E146 HydrophobicContact CG-CB 4.36Å; E136-E146 HydrophobicContact CG-CG 3.99Å |
| 137 | E | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 70.3 Ų | 70.3 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.6 | -166.7 | -159.9 | 164.3 | 0 | 0 | 111.3 | F133 A139 L140 R141 | F133-E137 WeakPolarHBondContact O-CB 3.43Å; F133-E137 PolarHBondContact O-N 3.19Å; E137-A139 PolarHBondContact O-N 2.84Å; E137-L140 PolarHBondContact O-N 3.02Å; E137-R141 WeakPolarHBondContact O-CB 3.47Å; E137-R141 PolarHBondContact O-N 2.81Å; E137-R141 IonicContact OE1-CZ 3.26Å; E137-R141 IonicContact OE1-NH2 2.7Å; E137-R141 PolarHBondContact OE1-NH2 2.9Å; E137-R141 IonicContact OE2-NH2 3.64Å |
| 138 | L | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64 | -41.5 | 177.7 | -171.6 | 61.4 | 0 | 0 | 0 | 111.7 | E119 L120 M134 R135 E136 R141 I142 V149 F153 | E119-L138 HydrophobicContact CG-CD1 3.64Å; L120-L138 HydrophobicContact CD2-CD2 3.88Å; L120-L138 HydrophobicContact CD2-CG 4.45Å; M134-L138 VanDerWaalsContact O-CB 3.22Å; M134-L138 WeakPolarHBondContact O-CB 3.38Å; M134-L138 PolarHBondContact O-N 3.15Å; M134-L138 VanDerWaalsContact O-N 3.08Å; R135-L138 PolarHBondContact O-N 3.3Å; E136-L138 VanDerWaalsContact C-N 3.31Å; E136-L138 PolarHBondContact O-N 2.72Å; L138-R141 PolarHBondContact O-N 3.27Å; L138-I142 HydrophobicContact CD1-CG2 4.47Å; L138-I142 HydrophobicContact CG-CD1 4.23Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.4Å; L138-I142 PolarHBondContact O-N 2.81Å; L138-I142 VanDerWaalsContact O-N 3.11Å; L138-V149 HydrophobicContact CD2-CG1 3.92Å; L138-F153 HydrophobicContact CD2-CE2 3.79Å; L138-F153 HydrophobicContact CD2-CZ 4.18Å |
| 139 | A | 98.4 | Very high | 98.1 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R135 E136 E137 I142 G143 L144 V149 | R135-A139 WeakPolarHBondContact O-CB 3.41Å; R135-A139 PolarHBondContact O-N 3.18Å; E136-A139 WeakPolarHBondContact O-CB 3.36Å; E136-A139 PolarHBondContact O-N 3.34Å; E137-A139 PolarHBondContact O-N 2.84Å; A139-I142 PolarHBondContact O-N 3.26Å; A139-G143 PolarHBondContact O-N 3.14Å; A139-L144 CarbonylContact C-O 3.47Å; A139-L144 WeakPolarHBondContact CB-O 3.46Å; A139-L144 PolarHBondContact O-N 3.02Å; A139-V149 HydrophobicContact CB-CG2 3.82Å |
| 140 | L | 98.4 | Very high | 98.1 | Very high | 149 Ų | 149 | 65.5 Ų | 65.5 | 78% | 0.78 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 173.8 | -68.6 | 172.3 | 0 | 0 | 0 | 111.3 | E136 E137 I142 G143 | E136-L140 WeakPolarHBondContact O-CG 3.33Å; E136-L140 PolarHBondContact O-N 3.18Å; E137-L140 PolarHBondContact O-N 3.02Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 3.46Å; L140-G143 PolarHBondContact O-N 2.95Å |
| 141 | R | 97.8 | Very high | 98.1 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -35.3 | -177.9 | -166.1 | -175.1 | -57.6 | 132.3 | 8 | 113.4 | E119 E137 L138 | E119-R141 IonicContact OE1-CZ 3.3Å; E119-R141 IonicContact OE1-NH1 2.88Å; E119-R141 PolarHBondContact OE1-NH1 3.48Å; E137-R141 WeakPolarHBondContact O-CB 3.47Å; E137-R141 PolarHBondContact O-N 2.81Å; E137-R141 IonicContact OE1-CZ 3.26Å; E137-R141 IonicContact OE1-NH2 2.7Å; E137-R141 PolarHBondContact OE1-NH2 2.9Å; E137-R141 IonicContact OE2-NH2 3.64Å; L138-R141 PolarHBondContact O-N 3.27Å |
| 142 | I | 97.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -106.6 | 4.3 | -174.4 | 73.4 | -169.2 | 0 | 0 | 0 | 114.2 | Q116 E119 L120 L138 A139 L140 L144 V149 | Q116-I142 HydrophobicContact CG-CB 4.15Å; Q116-I142 PolarHBondContact NE2-O 3.43Å; E119-I142 HydrophobicContact CB-CG2 3.73Å; E119-I142 HydrophobicContact CG-CG2 3.52Å; L120-I142 HydrophobicContact CD1-CD1 4.18Å; L120-I142 HydrophobicContact CD2-CD1 3.77Å; L120-I142 HydrophobicContact CG-CD1 3.78Å; L138-I142 HydrophobicContact CD1-CG2 4.47Å; L138-I142 HydrophobicContact CG-CD1 4.23Å; L138-I142 VanDerWaalsContact O-CG1 3.23Å; L138-I142 WeakPolarHBondContact O-CG1 3.4Å; L138-I142 PolarHBondContact O-N 2.81Å; L138-I142 VanDerWaalsContact O-N 3.11Å; A139-I142 PolarHBondContact O-N 3.26Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 3.46Å; I142-L144 HydrophobicContact CD1-CD1 3.63Å; I142-L144 HydrophobicContact CD1-CG 4.31Å; I142-L144 HydrophobicContact CG1-CB 4.1Å; I142-L144 HydrophobicContact CG1-CD1 3.74Å; I142-L144 HydrophobicContact CG1-CG 3.86Å; I142-V149 HydrophobicContact CD1-CG2 4.26Å |
| 143 | G | 97.8 | Very high | 98.1 | Very high | 64 Ų | 64 | 62 Ų | 62 | 66% | 0.66 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A139 L140 | A139-G143 PolarHBondContact O-N 3.14Å; L140-G143 PolarHBondContact O-N 2.95Å |
| 144 | L | 97.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 16% | 0.162 | 31% | 0.305 | C | S | . | . | trans | -123.1 | 168.7 | 178.1 | -64.7 | 177.6 | 0 | 0 | 0 | 110.7 | T110 F112 A139 I142 R148 | T110-L144 HydrophobicContact CG2-CD2 4.1Å; F112-L144 HydrophobicContact CD1-CD1 3.64Å; F112-L144 HydrophobicContact CD1-CD2 4.41Å; F112-L144 HydrophobicContact CE1-CD1 3.57Å; F112-L144 HydrophobicContact CE1-CD2 4.4Å; A139-L144 CarbonylContact C-O 3.47Å; A139-L144 WeakPolarHBondContact CB-O 3.46Å; A139-L144 PolarHBondContact O-N 3.02Å; I142-L144 HydrophobicContact CD1-CD1 3.63Å; I142-L144 HydrophobicContact CD1-CG 4.31Å; I142-L144 HydrophobicContact CG1-CB 4.1Å; I142-L144 HydrophobicContact CG1-CD1 3.74Å; I142-L144 HydrophobicContact CG1-CG 3.86Å; L144-R148 HydrophobicContact CB-CB 4.47Å | ||
| 145 | T | 98 | Very high | 98.1 | Very high | 84 Ų | 84 | 60 Ų | 60 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | trans | -85.1 | 150 | 168.8 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | S147 R148 V149 | T145-S147 PolarHBondContact O-N 3.45Å; T145-R148 WeakPolarHBondContact O-CB 3.5Å; T145-R148 PolarHBondContact O-N 3.19Å; T145-R148 WeakPolarHBondContact OG1-CG 3.35Å; T145-V149 PolarHBondContact O-N 2.95Å | ||
| 146 | E | 98.2 | Very high | 98.1 | Very high | 45 Ų | 45 | 60 Ų | 60 | 21% | 0.21 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -49.9 | -44.1 | 177.1 | -177.6 | -77.7 | 155 | 0 | 0 | 111.2 | I132 R135 E136 R148 V149 Q150 | I132-E146 HydrophobicContact CD1-CG 4.03Å; R135-E146 HydrophobicContact CB-CG 4.06Å; R135-E146 IonicContact CZ-OE1 3.25Å; R135-E146 VanDerWaalsContact CZ-OE1 3.26Å; R135-E146 IonicContact NE-OE1 3.78Å; R135-E146 PolarHBondContact NE-OE1 3.19Å; R135-E146 IonicContact NH2-OE1 2.72Å; R135-E146 PolarHBondContact NH2-OE1 3.41Å; E136-E146 HydrophobicContact CG-CB 4.36Å; E136-E146 HydrophobicContact CG-CG 3.99Å; E146-R148 PolarHBondContact O-N 2.78Å; E146-V149 CarbonylContact O-C 3.39Å; E146-V149 WeakPolarHBondContact O-CA 3.35Å; E146-V149 WeakPolarHBondContact O-CB 3.47Å; E146-V149 PolarHBondContact O-N 3.22Å; E146-Q150 PolarHBondContact O-N 3.03Å |
| 147 | S | 97.6 | Very high | 98 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.2 | -35.8 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | T145 Q150 V151 | T145-S147 PolarHBondContact O-N 3.45Å; S147-Q150 PolarHBondContact O-N 2.74Å; S147-V151 VanDerWaalsContact O-CG2 3.29Å; S147-V151 WeakPolarHBondContact O-CG2 3.31Å; S147-V151 PolarHBondContact O-N 2.88Å |
| 148 | R | 97.9 | Very high | 98 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.6 | -39 | 176.6 | -61.3 | -62.3 | 148.6 | 168.5 | -6.1 | 111.8 | T110 F112 L144 T145 E146 W152 | T110-R148 WeakPolarHBondContact OG1-CD 3.46Å; F112-R148 HydrophobicContact CE1-CB 4.49Å; L144-R148 HydrophobicContact CB-CB 4.47Å; T145-R148 WeakPolarHBondContact O-CB 3.5Å; T145-R148 PolarHBondContact O-N 3.19Å; T145-R148 WeakPolarHBondContact OG1-CG 3.35Å; E146-R148 PolarHBondContact O-N 2.78Å; R148-W152 WeakPolarHBondContact O-CB 3.37Å; R148-W152 PolarHBondContact O-N 2.94Å |
| 149 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | L120 R135 L138 A139 I142 T145 E146 V151 W152 F153 | L120-V149 HydrophobicContact CD2-CG1 4.09Å; L120-V149 HydrophobicContact CD2-CG2 4.42Å; R135-V149 HydrophobicContact CB-CG1 4.15Å; R135-V149 HydrophobicContact CG-CG1 4.15Å; L138-V149 HydrophobicContact CD2-CG1 3.92Å; A139-V149 HydrophobicContact CB-CG2 3.82Å; I142-V149 HydrophobicContact CD1-CG2 4.26Å; T145-V149 PolarHBondContact O-N 2.95Å; E146-V149 CarbonylContact O-C 3.39Å; E146-V149 WeakPolarHBondContact O-CA 3.35Å; E146-V149 WeakPolarHBondContact O-CB 3.47Å; E146-V149 PolarHBondContact O-N 3.22Å; V149-V151 PolarHBondContact O-N 2.69Å; V149-W152 WeakPolarHBondContact O-CB 3.13Å; V149-W152 PolarHBondContact O-N 3.47Å; V149-W152 VanDerWaalsContact O-N 3.14Å; V149-F153 HydrophobicContact CG1-CD2 3.72Å; V149-F153 HydrophobicContact CG1-CE2 3.74Å; V149-F153 WeakPolarHBondContact O-CD2 3.05Å; V149-F153 PolarHBondContact O-N 3.33Å |
| 150 | Q | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.8 | -51.8 | 177.2 | -168.7 | -161.9 | -3.6 | 0 | 0 | 111.9 | E146 S147 W152 F153 Q154 | E146-Q150 PolarHBondContact O-N 3.03Å; S147-Q150 PolarHBondContact O-N 2.74Å; Q150-W152 VanDerWaalsContact C-N 3.32Å; Q150-W152 PolarHBondContact O-N 3.46Å; Q150-F153 PolarHBondContact O-N 3.3Å; Q150-Q154 WeakPolarHBondContact O-CG 3.35Å; Q150-Q154 PolarHBondContact O-N 3.4Å |
| 151 | V | 98.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 38% | 0.376 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | S147 V149 Q154 N155 | S147-V151 VanDerWaalsContact O-CG2 3.29Å; S147-V151 WeakPolarHBondContact O-CG2 3.31Å; S147-V151 PolarHBondContact O-N 2.88Å; V149-V151 PolarHBondContact O-N 2.69Å; V151-Q154 PolarHBondContact O-N 3.04Å; V151-N155 WeakPolarHBondContact O-CB 3.29Å; V151-N155 PolarHBondContact O-N 3.49Å; V151-N155 PolarHBondContact O-ND2 2.95Å |
| 152 | W | 98.3 | Very high | 97 | Very high | 20 Ų | 20 | 66.5 Ų | 66.5 | 8% | 0.076 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.7 | -173.5 | 100.8 | 0 | 0 | 0 | 111.5 | F112 L120 E121 F124 R148 V149 Q150 Q154 N155 R156 | F112-W152 AromaticContact CD2-CD1 3.88Å; F112-W152 AromaticContact CE2-CD1 3.57Å; F112-W152 HydrophobicContact CE2-CG 4.47Å; F112-W152 HydrophobicContact CZ-CB 4.28Å; F112-W152 AromaticContact CZ-CD1 3.97Å; L120-W152 HydrophobicContact CB-CD2 4.02Å; L120-W152 HydrophobicContact CB-CE3 3.98Å; L120-W152 HydrophobicContact CB-CH2 3.64Å; L120-W152 HydrophobicContact CB-CZ2 3.65Å; L120-W152 HydrophobicContact CB-CZ3 3.8Å; L120-W152 HydrophobicContact CD1-CD2 3.92Å; L120-W152 HydrophobicContact CD1-CG 3.91Å; L120-W152 HydrophobicContact CD2-CD2 4.2Å; L120-W152 HydrophobicContact CD2-CE3 4.07Å; L120-W152 HydrophobicContact CD2-CG 4.5Å; L120-W152 HydrophobicContact CG-CD2 4.29Å; L120-W152 HydrophobicContact CG-CE3 4.44Å; E121-W152 HydrophobicContact CG-CH2 3.86Å; E121-W152 HydrophobicContact CG-CZ2 3.86Å; F124-W152 HydrophobicContact CB-CH2 4.35Å; F124-W152 HydrophobicContact CB-CZ3 4.22Å; F124-W152 HydrophobicContact CD2-CZ3 4.3Å; R148-W152 WeakPolarHBondContact O-CB 3.37Å; R148-W152 PolarHBondContact O-N 2.94Å; V149-W152 WeakPolarHBondContact O-CB 3.13Å; V149-W152 PolarHBondContact O-N 3.47Å; V149-W152 VanDerWaalsContact O-N 3.14Å; Q150-W152 VanDerWaalsContact C-N 3.32Å; Q150-W152 PolarHBondContact O-N 3.46Å; W152-Q154 PolarHBondContact O-N 3.49Å; W152-N155 PolarHBondContact O-N 3.38Å; W152-R156 HydrophobicContact CE3-CB 4.06Å; W152-R156 HydrophobicContact CH2-CB 4.15Å; W152-R156 HydrophobicContact CH2-CG 3.81Å; W152-R156 HydrophobicContact CZ2-CG 4.47Å; W152-R156 HydrophobicContact CZ3-CB 3.85Å; W152-R156 HydrophobicContact CZ3-CG 3.87Å; W152-R156 WeakPolarHBondContact O-CB 3.35Å; W152-R156 PolarHBondContact O-N 3.19Å |
| 153 | F | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 73 Ų | 73 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 178.5 | -90.6 | -93.7 | 0 | 0 | 0 | 112.2 | L120 F124 P130 L138 V149 Q150 R156 R157 | L120-F153 HydrophobicContact CD2-CE2 4.01Å; F124-F153 HydrophobicContact CB-CE1 4.12Å; F124-F153 AromaticContact CD2-CD1 3.73Å; F124-F153 HydrophobicContact CD2-CD1 3.73Å; F124-F153 AromaticContact CD2-CE1 3.69Å; F124-F153 HydrophobicContact CD2-CE1 3.69Å; F124-F153 HydrophobicContact CE2-CD1 4.34Å; F124-F153 HydrophobicContact CG-CE1 4.4Å; P130-F153 HydrophobicContact CB-CE1 4.43Å; P130-F153 VanDerWaalsContact CD-CE1 3.5Å; P130-F153 HydrophobicContact CG-CD1 3.55Å; P130-F153 HydrophobicContact CG-CD2 4.1Å; P130-F153 HydrophobicContact CG-CE1 3.49Å; P130-F153 VanDerWaalsContact CG-CE1 3.49Å; P130-F153 HydrophobicContact CG-CE2 4.06Å; P130-F153 HydrophobicContact CG-CG 3.86Å; P130-F153 HydrophobicContact CG-CZ 3.77Å; L138-F153 HydrophobicContact CD2-CE2 3.79Å; L138-F153 HydrophobicContact CD2-CZ 4.18Å; V149-F153 HydrophobicContact CG1-CD2 3.72Å; V149-F153 HydrophobicContact CG1-CE2 3.74Å; V149-F153 WeakPolarHBondContact O-CD2 3.05Å; V149-F153 PolarHBondContact O-N 3.33Å; Q150-F153 PolarHBondContact O-N 3.3Å; F153-R156 PolarHBondContact O-N 3.02Å; F153-R157 WeakPolarHBondContact O-CB 3.48Å; F153-R157 WeakPolarHBondContact O-CG 3.49Å; F153-R157 PolarHBondContact O-N 2.93Å |
| 154 | Q | 98.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 76.2 Ų | 76.2 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 173.1 | -71.2 | 177.9 | 38 | 0 | 0 | 111.5 | Q150 V151 W152 R156 R157 A158 | Q150-Q154 WeakPolarHBondContact O-CG 3.35Å; Q150-Q154 PolarHBondContact O-N 3.4Å; V151-Q154 PolarHBondContact O-N 3.04Å; W152-Q154 PolarHBondContact O-N 3.49Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.49Å; Q154-R157 PolarHBondContact O-N 2.97Å; Q154-A158 WeakPolarHBondContact O-CB 3.49Å; Q154-A158 PolarHBondContact O-N 2.96Å |
| 155 | N | 97.9 | Very high | 92.9 | Very high | 94 Ų | 94 | 82.5 Ų | 82.5 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 177.9 | -73.7 | -31.8 | 0 | 0 | 0 | 112.2 | V151 W152 A158 K159 | V151-N155 WeakPolarHBondContact O-CB 3.29Å; V151-N155 PolarHBondContact O-N 3.49Å; V151-N155 PolarHBondContact O-ND2 2.95Å; W152-N155 PolarHBondContact O-N 3.38Å; N155-A158 PolarHBondContact O-N 3.34Å; N155-K159 PolarHBondContact O-N 3.46Å; N155-K159 VanDerWaalsContact O-N 3.11Å |
| 156 | R | 97.8 | Very high | 91 | Very high | 47 Ų | 47 | 81.8 Ų | 81.8 | 18% | 0.177 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 177.4 | -172.4 | 65.9 | -177.4 | -165.9 | -2 | 111.1 | E121 F124 W152 F153 Q154 A158 K159 W160 | E121-R156 IonicContact OE1-CZ 3.83Å; E121-R156 VanDerWaalsContact OE1-CZ 3.25Å; E121-R156 IonicContact OE1-NH1 2.75Å; E121-R156 PolarHBondContact OE1-NH1 3.43Å; E121-R156 IonicContact OE1-NH2 2.83Å; E121-R156 PolarHBondContact OE1-NH2 3.41Å; F124-R156 HydrophobicContact CD1-CG 3.99Å; F124-R156 HydrophobicContact CD2-CB 4.22Å; F124-R156 HydrophobicContact CD2-CG 3.59Å; F124-R156 HydrophobicContact CE1-CG 3.84Å; F124-R156 HydrophobicContact CE2-CB 3.95Å; F124-R156 HydrophobicContact CE2-CG 3.45Å; F124-R156 VanDerWaalsContact CE2-CG 3.45Å; F124-R156 HydrophobicContact CG-CG 3.88Å; F124-R156 HydrophobicContact CZ-CB 4.4Å; F124-R156 HydrophobicContact CZ-CG 3.58Å; W152-R156 HydrophobicContact CE3-CB 4.06Å; W152-R156 HydrophobicContact CH2-CB 4.15Å; W152-R156 HydrophobicContact CH2-CG 3.81Å; W152-R156 HydrophobicContact CZ2-CG 4.47Å; W152-R156 HydrophobicContact CZ3-CB 3.85Å; W152-R156 HydrophobicContact CZ3-CG 3.87Å; W152-R156 WeakPolarHBondContact O-CB 3.35Å; W152-R156 PolarHBondContact O-N 3.19Å; F153-R156 PolarHBondContact O-N 3.02Å; Q154-R156 VanDerWaalsContact C-N 3.32Å; Q154-R156 PolarHBondContact O-N 3.49Å; R156-A158 PolarHBondContact O-N 2.91Å; R156-K159 PolarHBondContact O-N 3.35Å; R156-W160 WeakPolarHBondContact O-CB 3.39Å; R156-W160 PolarHBondContact O-N 3.34Å |
| 157 | R | 97.6 | Very high | 88.9 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 174.8 | -72.8 | -165.4 | -63.1 | -92.2 | 3.8 | 112.7 | F124 H128 Y129 F153 Q154 K159 W160 K161 | F124-R157 HydrophobicContact CE2-CG 3.89Å; F124-R157 HydrophobicContact CZ-CG 4.31Å; H128-R157 HydrophobicContact CB-CG 4.5Å; H128-R157 VanDerWaalsContact O-CD 3.31Å; H128-R157 WeakPolarHBondContact O-CD 3.43Å; H128-R157 PolarHBondContact O-NH1 2.75Å; Y129-R157 VanDerWaalsContact CE1-CD 3.43Å; F153-R157 WeakPolarHBondContact O-CB 3.48Å; F153-R157 WeakPolarHBondContact O-CG 3.49Å; F153-R157 PolarHBondContact O-N 2.93Å; Q154-R157 PolarHBondContact O-N 2.97Å; R157-K159 PolarHBondContact O-N 3.45Å; R157-W160 PolarHBondContact O-N 3.45Å; R157-K161 WeakPolarHBondContact O-CB 3.45Å; R157-K161 PolarHBondContact O-N 3.49Å |
| 158 | A | 97.1 | Very high | 86.8 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 45% | 0.446 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q154 N155 R156 K161 K162 | Q154-A158 WeakPolarHBondContact O-CB 3.49Å; Q154-A158 PolarHBondContact O-N 2.96Å; N155-A158 PolarHBondContact O-N 3.34Å; R156-A158 PolarHBondContact O-N 2.91Å; A158-K161 PolarHBondContact O-N 3.24Å; A158-K162 PolarHBondContact O-N 2.89Å |
| 159 | K | 95.1 | Very high | 84.8 | Confident | 124 Ų | 124 | 88.4 Ų | 88.4 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 174.3 | -71.5 | -174.3 | -68.9 | -178.9 | 0 | 111.9 | N155 R156 R157 K161 K162 R163 | N155-K159 PolarHBondContact O-N 3.46Å; N155-K159 VanDerWaalsContact O-N 3.11Å; R156-K159 PolarHBondContact O-N 3.35Å; R157-K159 PolarHBondContact O-N 3.45Å; K159-K161 VanDerWaalsContact C-N 3.35Å; K159-K161 PolarHBondContact O-N 3.21Å; K159-K162 PolarHBondContact O-N 2.86Å; K159-R163 PolarHBondContact O-N 3.02Å; K159-R163 VanDerWaalsContact O-N 3.12Å |
| 160 | W | 93.9 | Very high | 82.7 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 33% | 0.33 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 178 | -178.4 | 91.8 | 0 | 0 | 0 | 112.1 | F124 R156 R157 K162 R163 K164 | F124-W160 HydrophobicContact CZ-CB 4.41Å; R156-W160 WeakPolarHBondContact O-CB 3.39Å; R156-W160 PolarHBondContact O-N 3.34Å; R157-W160 PolarHBondContact O-N 3.45Å; W160-K162 PolarHBondContact O-N 3.41Å; W160-R163 PolarHBondContact O-N 3.05Å; W160-K164 HydrophobicContact CH2-CD 4.33Å; W160-K164 HydrophobicContact CZ2-CD 4.47Å; W160-K164 HydrophobicContact CZ3-CD 4.45Å |
| 161 | K | 94.2 | Very high | 80.3 | Confident | 148 Ų | 148 | 103.5 Ų | 103.5 | 64% | 0.643 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 175.5 | -172.8 | 173.2 | 66 | 175.6 | 0 | 112 | R157 A158 K159 R163 K164 | R157-K161 WeakPolarHBondContact O-CB 3.45Å; R157-K161 PolarHBondContact O-N 3.49Å; A158-K161 PolarHBondContact O-N 3.24Å; K159-K161 VanDerWaalsContact C-N 3.35Å; K159-K161 PolarHBondContact O-N 3.21Å; K161-R163 PolarHBondContact O-N 3.27Å; K161-K164 PolarHBondContact O-N 3.45Å |
| 162 | K | 89.4 | Confident | 77.8 | Confident | 146 Ų | 146 | 103.1 Ų | 103.1 | 64% | 0.635 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -40 | -179.8 | -170.3 | 167.1 | -178.3 | 174.7 | 0 | 112.4 | A158 K159 W160 K164 K165 T166 | A158-K162 PolarHBondContact O-N 2.89Å; K159-K162 PolarHBondContact O-N 2.86Å; W160-K162 PolarHBondContact O-N 3.41Å; K162-K164 VanDerWaalsContact C-N 3.26Å; K162-K164 PolarHBondContact O-N 3.49Å; K162-K165 PolarHBondContact O-N 3.46Å; K162-T166 HydrophobicContact CG-CG2 4.33Å; K162-T166 PolarHBondContact O-N 3.11Å; K162-T166 VanDerWaalsContact O-N 3.14Å; K162-T166 PolarHBondContact O-OG1 3.47Å |
| 163 | R | 80 | Confident | 75.4 | Confident | 156 Ų | 156 | 108.6 Ų | 108.6 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.1 | -33.1 | 178.9 | -69.9 | -164.3 | -65.5 | -158.7 | 4.4 | 113.5 | K159 W160 K161 K165 T166 | K159-R163 PolarHBondContact O-N 3.02Å; K159-R163 VanDerWaalsContact O-N 3.12Å; W160-R163 PolarHBondContact O-N 3.05Å; K161-R163 PolarHBondContact O-N 3.27Å; R163-K165 VanDerWaalsContact C-N 3.33Å; R163-T166 PolarHBondContact O-OG1 3.37Å |
| 164 | K | 65 | Low | 73.2 | Confident | 131 Ų | 131 | 111.8 Ų | 111.8 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.8 | -24.9 | 176.3 | -67.1 | -173.1 | 167.7 | -173.5 | 0 | 113.6 | W160 K161 K162 | W160-K164 HydrophobicContact CH2-CD 4.33Å; W160-K164 HydrophobicContact CZ2-CD 4.47Å; W160-K164 HydrophobicContact CZ3-CD 4.45Å; K161-K164 PolarHBondContact O-N 3.45Å; K162-K164 VanDerWaalsContact C-N 3.26Å; K162-K164 PolarHBondContact O-N 3.49Å |
| 165 | K | 61.8 | Low | 70.5 | Confident | 164 Ų | 164 | 112.6 Ų | 112.6 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -88.3 | -35 | -178.9 | -136.8 | 98.5 | 172.8 | 178.1 | 0 | 111.9 | K162 R163 V169 | K162-K165 PolarHBondContact O-N 3.46Å; R163-K165 VanDerWaalsContact C-N 3.33Å; K165-V169 WeakPolarHBondContact O-CG2 3.5Å |
| 166 | T | 56.7 | Low | 68.1 | Low | 69 Ų | 69 | 116.1 Ų | 116.1 | 42% | 0.423 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -77.5 | -20.4 | -178.1 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | K162 R163 N168 F170 | K162-T166 HydrophobicContact CG-CG2 4.33Å; K162-T166 PolarHBondContact O-N 3.11Å; K162-T166 VanDerWaalsContact O-N 3.14Å; K162-T166 PolarHBondContact O-OG1 3.47Å; R163-T166 PolarHBondContact O-OG1 3.37Å; T166-N168 PolarHBondContact O-N 3.12Å; T166-F170 PolarHBondContact O-N 3.14Å |
| 167 | T | 55.5 | Low | 65.7 | Low | 73 Ų | 73 | 121.4 Ų | 121.4 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -17.1 | 175.6 | -160.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 168 | N | 52.3 | Low | 63.3 | Low | 144 Ų | 144 | 124.3 Ų | 124.3 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | -8.1 | -177.2 | -132.7 | 56.8 | 0 | 0 | 0 | 114.5 | T166 | T166-N168 PolarHBondContact O-N 3.12Š|
| 169 | V | 56.2 | Low | 60.8 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | -12.2 | -177 | -107 | 0 | 0 | 0 | 0 | 114 | K165 | K165-V169 WeakPolarHBondContact O-CG2 3.5Š|
| 170 | F | 54.1 | Low | 58.6 | Low | 193 Ų | 193 | 127.4 Ų | 127.4 | 85% | 0.846 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -119.6 | 8.6 | 179.8 | -118.5 | -88 | 0 | 0 | 0 | 114.1 | T166 | T166-F170 PolarHBondContact O-N 3.14Š|
| 171 | R | 49 | Very low | 56.4 | Low | 198 Ų | 198 | 126.6 Ų | 126.6 | 75% | 0.747 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -120.2 | 17.8 | -179.4 | -138.7 | -161 | -85.9 | -106.7 | 10.4 | 114.1 | P173 | R171-P173 VanDerWaalsContact O-CD 3.3Å; R171-P173 WeakPolarHBondContact O-CD 3.12Å |
| 172 | A | 44.3 | Very low | 54.1 | Low | 54 Ų | 54 | 126.8 Ų | 126.8 | 45% | 0.446 | 70% | 0.698 | S | S | . | * | trans | -100.7 | 96.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | G174 T175 | A172-G174 VanDerWaalsContact C-N 3.33Å; A172-G174 PolarHBondContact O-N 3.23Å; A172-T175 WeakPolarHBondContact CB-OG1 3.39Å | ||
| 173 | P | 48.8 | Very low | 51.9 | Low | 134 Ų | 134 | 125.5 Ų | 125.5 | 87% | 0.87 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 99.1 | 162 | 29 | -27.9 | 0 | 0 | 0 | 106.4 | R171 | R171-P173 VanDerWaalsContact O-CD 3.3Å; R171-P173 WeakPolarHBondContact O-CD 3.12Å |
| 174 | G | 52.7 | Low | 49.9 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.7 | -4.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | A172 L176 | A172-G174 VanDerWaalsContact C-N 3.33Å; A172-G174 PolarHBondContact O-N 3.23Å; G174-L176 PolarHBondContact O-N 3.32Å |
| 175 | T | 42.2 | Very low | 48.8 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | trans | -96 | 85.9 | 174.2 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | A172 L177 | A172-T175 WeakPolarHBondContact CB-OG1 3.39Å; T175-L177 PolarHBondContact O-N 3.45Å | ||
| 176 | L | 45.9 | Very low | 47.8 | Very low | 167 Ų | 167 | 127 Ų | 127 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -59.4 | 109.3 | 159.4 | -57.7 | 178.9 | 0 | 0 | 0 | 107.8 | G174 | G174-L176 PolarHBondContact O-N 3.32Š| ||
| 177 | L | 48.9 | Very low | 47.2 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -80.6 | 128 | 157.9 | -67.2 | 179.9 | 0 | 0 | 0 | 107.2 | T175 T179 | T175-L177 PolarHBondContact O-N 3.45Å; L177-T179 PolarHBondContact O-N 3.43Å | ||
| 178 | P | 45.3 | Very low | 46.6 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -75.2 | 111.4 | -179.6 | 29 | -29.6 | 0 | 0 | 0 | 108.9 | P180 | P178-P180 WeakPolarHBondContact O-CD 3.49Š| ||
| 179 | T | 46.6 | Very low | 46.1 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | trans | -81.2 | 117.3 | 156 | -104.3 | 0 | 0 | 0 | 0 | 106.6 | L177 G181 | L177-T179 PolarHBondContact O-N 3.43Å; T179-G181 PolarHBondContact O-N 3.36Å | ||
| 180 | P | 48.3 | Very low | 45.6 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -80.3 | 118.9 | 170.2 | 30.4 | -27 | 0 | 0 | 0 | 108.3 | P178 | P178-P180 WeakPolarHBondContact O-CD 3.49Š| ||
| 181 | G | 47.1 | Very low | 45.1 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 126.8 | 31.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | T179 | T179-G181 PolarHBondContact O-N 3.36Š| ||
| 182 | L | 45.5 | Very low | 45 | Very low | 151 Ų | 151 | 124 Ų | 124 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -129 | 133.4 | 162.9 | -85.4 | 162.4 | 0 | 0 | 0 | 110.8 | Q184 | L182-Q184 PolarHBondContact O-N 3.15Š| ||
| 183 | P | 43.9 | Very low | 44.7 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -67.4 | 124.9 | -179.2 | 26.7 | -32.1 | 0 | 0 | 0 | 110.8 | F185 | P183-F185 PolarHBondContact O-N 3.06Š| ||
| 184 | Q | 38.8 | Very low | 44.8 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -66.6 | 109.5 | 178 | -174.2 | 157.3 | -57.7 | 0 | 0 | 110 | L182 S186 | L182-Q184 PolarHBondContact O-N 3.15Å; Q184-S186 PolarHBondContact O-N 3.3Å | ||
| 185 | F | 41.9 | Very low | 44.5 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 125.1 | 162.1 | 59.6 | -92.9 | 0 | 0 | 0 | 107.7 | P183 A187 | P183-F185 PolarHBondContact O-N 3.06Å; F185-A187 PolarHBondContact O-N 3.36Å; F185-A187 VanDerWaalsContact O-N 3.15Å | ||
| 186 | S | 39.4 | Very low | 44.7 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -55.1 | 114.8 | -176.7 | -69 | 0 | 0 | 0 | 0 | 112.1 | Q184 A188 | Q184-S186 PolarHBondContact O-N 3.3Å; S186-A188 PolarHBondContact O-N 2.73Å | ||
| 187 | A | 44.2 | Very low | 44.1 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 75.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109 | F185 | F185-A187 PolarHBondContact O-N 3.36Å; F185-A187 VanDerWaalsContact O-N 3.15Å | ||
| 188 | A | 43.2 | Very low | 43.5 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -104.5 | 71.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | S186 | S186-A188 PolarHBondContact O-N 2.73Š| ||
| 189 | A | 40.9 | Very low | 43.2 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -164.3 | 63.3 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | M191 | A189-M191 PolarHBondContact O-N 3.17Š| ||
| 190 | A | 47.2 | Very low | 43 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -89 | 81.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 191 | M | 43.7 | Very low | 42.5 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -147.9 | 120.9 | 153 | 62.3 | -165.3 | -177.7 | 0 | 0 | 107.9 | A189 | A189-M191 PolarHBondContact O-N 3.17Š|
| 192 | E | 45.3 | Very low | 42.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | trans | 63.1 | 107.5 | 170.3 | -156.6 | -146.9 | 173.9 | 0 | 0 | 116.6 | ||||
| 193 | N | 39.4 | Very low | 42.2 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -163.3 | 89.2 | 133.1 | -96.9 | -35.7 | 0 | 0 | 0 | 109.8 | ||||
| 194 | S | 51.1 | Low | 42.1 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | -44.7 | 146.1 | 123.6 | -88.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 195 | L | 45.8 | Very low | 42.5 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | 104.5 | 59.5 | 179.8 | -51.9 | 169.3 | 0 | 0 | 0 | 115.6 | ||||
| 196 | C | 45.5 | Very low | 42.4 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | -144.4 | 40.5 | 149 | -78.8 | 0 | 0 | 0 | 0 | 111.7 | F198 | C196-F198 PolarHBondContact O-N 3.47Š| ||
| 197 | S | 34.8 | Very low | 42.9 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -81.9 | 103.4 | 153.6 | -91.2 | 0 | 0 | 0 | 0 | 107.3 | H199 | S197-H199 VanDerWaalsContact C-N 3.29Å; S197-H199 PolarHBondContact O-N 3.48Å | ||
| 198 | F | 36.3 | Very low | 42.6 | Very low | 205 Ų | 205 | 135.4 Ų | 135.4 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 88.5 | 175.5 | -160.1 | -91.4 | 0 | 0 | 0 | 108.8 | C196 A200 | C196-F198 PolarHBondContact O-N 3.47Å; F198-A200 PolarHBondContact O-N 2.68Å | ||
| 199 | H | 37.7 | Very low | 42.7 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -65.8 | 123 | 167.6 | -158.9 | -115.6 | 0 | 0 | 0 | 107.9 | S197 N201 | S197-H199 VanDerWaalsContact C-N 3.29Å; S197-H199 PolarHBondContact O-N 3.48Å; H199-N201 PolarHBondContact O-N 3.46Å | ||
| 200 | A | 43.3 | Very low | 43.4 | Very low | 89 Ų | 89 | 140.8 Ų | 140.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -65.1 | 101.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | F198 | F198-A200 PolarHBondContact O-N 2.68Š| ||
| 201 | N | 38.4 | Very low | 42.9 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | -131.7 | 117.4 | 159.1 | -161.9 | 34.7 | 0 | 0 | 0 | 110.2 | H199 | H199-N201 PolarHBondContact O-N 3.46Š| ||
| 202 | D | 42.1 | Very low | 42.6 | Very low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -82.2 | 107 | 179.6 | -171.1 | -94 | 0 | 0 | 0 | 108.2 | ||||
| 203 | S | 43.2 | Very low | 42.3 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | trans | -152.6 | 14.4 | 172.4 | -62.4 | 0 | 0 | 0 | 0 | 115 | W205 | S203-W205 VanDerWaalsContact C-N 3.25Å; S203-W205 PolarHBondContact O-N 3.13Å | ||
| 204 | R | 43.1 | Very low | 42.3 | Very low | 256 Ų | 256 | 136 Ų | 136 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 47.2 | -178.4 | -75.2 | -172.2 | 177.3 | -103.7 | 2.1 | 114.1 | ||
| 205 | W | 46.3 | Very low | 41.6 | Very low | 204 Ų | 204 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 13.5 | 166.6 | 57.8 | -90.1 | 0 | 0 | 0 | 115 | S203 T207 | S203-W205 VanDerWaalsContact C-N 3.25Å; S203-W205 PolarHBondContact O-N 3.13Å; W205-T207 PolarHBondContact O-N 3.06Å; W205-T207 VanDerWaalsContact O-N 3.15Å |
| 206 | A | 40.6 | Very low | 41.1 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -85.4 | 88.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 207 | T | 48.6 | Very low | 40.9 | Very low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -83.2 | 127.2 | 159.4 | -48.7 | 0 | 0 | 0 | 0 | 108 | W205 | W205-T207 PolarHBondContact O-N 3.06Å; W205-T207 VanDerWaalsContact O-N 3.15Å | ||
| 208 | G | 37.8 | Very low | 41.7 | Very low | 65 Ų | 65 | 138.6 Ų | 138.6 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 144.3 | 97.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 209 | M | 45.1 | Very low | 42.6 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | 89.1 | 143.4 | 145.8 | -63.3 | -88.5 | 94.6 | 0 | 0 | 121.4 | ||||
| 210 | P | 56.5 | Low | 42.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -104.6 | 161.8 | -169.4 | 40.9 | -31 | 0 | 0 | 0 | 112.9 | ||||
| 211 | G | 36.8 | Very low | 42.7 | Very low | 65 Ų | 65 | 135.9 Ų | 135.9 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 172.9 | 118.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 212 | V | 37.9 | Very low | 42.7 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 80.6 | 110.9 | 149 | -49.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 213 | S | 37.2 | Very low | 42.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | 54.9 | 144 | 121.7 | -54.6 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 214 | Q | 40.9 | Very low | 42.4 | Very low | 158 Ų | 158 | 143.3 Ų | 143.3 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | cis | 175.4 | 166.9 | -4.7 | -167.1 | -144.1 | 99.6 | 0 | 0 | 104.1 | ||||
| 215 | L | 36.2 | Very low | 43.1 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | 77.8 | 138.4 | 174.5 | -66 | 99.8 | 0 | 0 | 0 | 115.5 | ||||
| 216 | Q | 34.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | -163.5 | 135.6 | 24 | -174.5 | 94.6 | -92.4 | 0 | 0 | 108.3 | ||||
| 217 | L | 42.3 | Very low | 42.6 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -84.3 | 157.7 | 159.3 | -87.7 | 106.4 | 0 | 0 | 0 | 110.5 | ||||
| 218 | P | 51.6 | Low | 42 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | -155.4 | -169.3 | 105.2 | 39.4 | -19.3 | 0 | 0 | 0 | 113.6 | |||||
| 219 | P | 53.8 | Low | 42 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | -127.6 | 178.3 | -64.1 | 38.6 | -22.4 | 0 | 0 | 0 | 113.4 | |||||
| 220 | A | 43.1 | Very low | 41.8 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -76.2 | 156.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 221 | L | 41.2 | Very low | 41.2 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | trans | -155.4 | 126.3 | 148.5 | -85.5 | 166.9 | 0 | 0 | 0 | 104.4 | ||||
| 222 | G | 37.6 | Very low | 41.6 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | cis | 127 | 93.9 | 19.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 223 | R | 36.2 | Very low | 41.5 | Very low | 255 Ų | 255 | 139 Ų | 139 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | trans | -163.7 | 141.4 | 153.1 | -151.3 | 161.3 | 168.3 | -153.5 | -5.2 | 112.7 | ||||
| 224 | Q | 43.8 | Very low | 41.2 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -101.8 | -171.6 | -157.1 | -103.8 | -63.5 | 20.4 | 0 | 0 | 112.3 | ||||
| 225 | P | 56.8 | Low | 41.2 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -115.9 | -173 | -128.9 | 45.9 | -33.2 | 0 | 0 | 0 | 114.8 | |||||
| 226 | G | 35 | Very low | 41.4 | Very low | 58 Ų | 58 | 139.5 Ų | 139.5 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | trans | 163.7 | 111.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 227 | M | 40.7 | Very low | 41.6 | Very low | 187 Ų | 187 | 135.1 Ų | 135.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | 21.4 | 147.9 | 133.1 | 71.5 | -148 | 178.2 | 0 | 0 | 119.2 | ||||
| 228 | A | 35.9 | Very low | 42.3 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 69% | 0.686 | 81% | 0.811 | S | S | * | * | cis | 179.2 | 156.9 | 16 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 229 | Q | 39.7 | Very low | 41.5 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 55.3 | 121.4 | 141.6 | -52.6 | -75.5 | 8.4 | 0 | 0 | 120.3 | ||||
| 230 | S | 39.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | 172.1 | 146.6 | 101 | -165.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 231 | L | 45.3 | Very low | 42.4 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -80.6 | 154 | -174.4 | -63 | 156.3 | 0 | 0 | 0 | 112.6 | ||||
| 232 | S | 43.9 | Very low | 43.1 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 165.9 | 99 | 140.4 | -72.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 233 | Q | 36.5 | Very low | 43.5 | Very low | 181 Ų | 181 | 135 Ų | 135 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | 49.1 | 109.5 | 91.4 | -63.1 | -162 | 92.9 | 0 | 0 | 114.8 | |||||
| 234 | C | 31.6 | Very low | 43.7 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | 162.7 | 146.7 | 111.6 | -85.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 235 | S | 40.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -74.8 | 172.8 | -170.2 | -55.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 236 | L | 39.3 | Very low | 42.4 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 119.8 | 123.9 | 143.7 | -59.2 | 177.1 | 0 | 0 | 0 | 115 | ||||
| 237 | G | 39.2 | Very low | 42.4 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -82.3 | -141.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 238 | P | 57.7 | Low | 42.3 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | -114.2 | 160 | -89.1 | 36.3 | -29.1 | 0 | 0 | 0 | 112.5 | |||||
| 239 | G | 34.4 | Very low | 42.3 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | trans | -163.1 | 140.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 240 | P | 57.1 | Low | 42 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -94.8 | 160 | 179 | 37.7 | -31.7 | 0 | 0 | 0 | 111.8 | ||||
| 241 | P | 59.6 | Low | 41.9 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -99.8 | 165.3 | 166.6 | 36 | -28.7 | 0 | 0 | 0 | 113.1 | ||||
| 242 | P | 54.5 | Low | 41.6 | Very low | 125 Ų | 125 | 125 Ų | 125 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -106.8 | 165.3 | -140.8 | 38.9 | -33.4 | 0 | 0 | 0 | 115.5 | ||||
| 243 | N | 46.7 | Very low | 41.3 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | trans | -73.6 | 145.4 | 161.6 | -68.1 | -43.4 | 0 | 0 | 0 | 110.7 | ||||
| 244 | S | 40.5 | Very low | 41.6 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | 174.8 | 118.4 | 137.4 | 170.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 245 | M | 37.4 | Very low | 41.7 | Very low | 188 Ų | 188 | 121 Ų | 121 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | 77.4 | 139.2 | 136.7 | -67.4 | -164.1 | -69.3 | 0 | 0 | 123.6 | ||||
| 246 | G | 36.1 | Very low | 41.6 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 130.5 | 79.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 247 | L | 34.9 | Very low | 41.5 | Very low | 163 Ų | 163 | 117 Ų | 117 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | 82.6 | 104.1 | 91.5 | -70.3 | 171.4 | 0 | 0 | 0 | 116 | |||||
| 248 | S | 39 | Very low | 41.5 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | 46.2 | 148.4 | 124.3 | 51 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 249 | N | 34.3 | Very low | 40.7 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 100.3 | 131.2 | 167.4 | -62.1 | 14.3 | 0 | 0 | 0 | 113.5 | ||||
| 250 | G | 33.4 | Very low | 40.8 | Very low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | cis | 131.7 | 139.1 | 12.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 251 | L | 38.7 | Very low | 39.9 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 77.4 | 132 | 149.1 | 51 | 84.4 | 0 | 0 | 0 | 123.8 | ||||
| 252 | S | 38 | Very low | 38.7 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 84.5 | 138.1 | 150.5 | -62.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 253 | S | 38.7 | Very low | 37.8 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | cis | -177.8 | 146.7 | 10.5 | 34.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 254 | N | 41.2 | Very low | 37.2 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 57.3 | 134.3 | 140.3 | -70.6 | -0.4 | 0 | 0 | 0 | 124.9 | ||||
| 255 | G | 35.5 | Very low | 37.1 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 162.2 | 82.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 256 | S | 38.2 | Very low | 37.7 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 48.7 | 120.3 | 137.8 | -40.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 257 | G | 35.8 | Very low | 37.7 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 101.9 | 129.9 | 79.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 258 | L | 40 | Very low | 38.1 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | -162.9 | 161.6 | 54.6 | -76.3 | 170.2 | 0 | 0 | 0 | 112.1 | |||||
| 259 | Q | 41.6 | Very low | 37.9 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -98.4 | 151.3 | -173.2 | -170.7 | -162.6 | 94.4 | 0 | 0 | 111.1 | ||||
| 260 | S | 35 | Very low | 38.2 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -164.8 | 120.3 | 140.3 | 28 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 261 | H | 38.1 | Very low | 38.3 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 73% | 0.731 | 81% | 0.81 | S | S | * | * | trans | -75.5 | 151.6 | 173.2 | -94.9 | -116.7 | 0 | 0 | 0 | 112.1 | ||||
| 262 | L | 34 | Very low | 38.2 | Very low | 140 Ų | 140 | 137 Ų | 137 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | 166 | 116.2 | 112.8 | -89.4 | 157.1 | 0 | 0 | 0 | 109.9 | |||||
| 263 | Y | 35.9 | Very low | 38.1 | Very low | 230 Ų | 230 | 136.9 Ų | 136.9 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | 167.2 | 121.4 | 124.1 | -82.7 | -65.1 | 0 | 0 | 0 | 108.2 | |||||
| 264 | Q | 34.1 | Very low | 38.3 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -114.1 | 133.8 | -177.8 | -170.9 | -157.9 | 116.2 | 0 | 0 | 107.4 | ||||
| 265 | T | 38.1 | Very low | 38.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -162.2 | 153.3 | 146 | 33.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 266 | P | 51.6 | Low | 38.1 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | -115.5 | 149 | -142.5 | 37.6 | -26.1 | 0 | 0 | 0 | 114.3 | ||||
| 267 | F | 34.4 | Very low | 38.6 | Very low | 211 Ų | 211 | 137.8 Ų | 137.8 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -151.9 | 149.9 | 150 | -89.3 | -72.2 | 0 | 0 | 0 | 110.7 | ||||
| 268 | P | 43.5 | Very low | 38.9 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -86.7 | 125.3 | -154.4 | 33 | -33.2 | 0 | 0 | 0 | 113.2 | ||||
| 269 | G | 35.5 | Very low | 38.8 | Very low | 66 Ų | 66 | 139.3 Ų | 139.3 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 122.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S271 | G269-S271 PolarHBondContact O-N 3.47Š| ||
| 270 | M | 41.2 | Very low | 38.6 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 98% | 0.98 | 81% | 0.812 | S | S | * | * | trans | -37.3 | 120.8 | 160.9 | 54 | -154.2 | 152.3 | 0 | 0 | 113.1 | ||||
| 271 | S | 35.7 | Very low | 39.2 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -108.2 | 131.1 | 172.5 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | G269 | G269-S271 PolarHBondContact O-N 3.47Š| ||
| 272 | A | 36.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | trans | -149.1 | 93.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 273 | S | 35.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -66.2 | 144 | 171.9 | -45 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 274 | L | 41.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 130.3 | 169 | -64.4 | 154.8 | 0 | 0 | 0 | 110.4 | ||||
| 275 | S | 37.7 | Very low | 40.4 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -166.4 | 125.3 | 149.3 | -76.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 276 | G | 36.8 | Very low | 40.6 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 173.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 277 | P | 48.3 | Very low | 40 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | -145 | 152.3 | 116.1 | 35.7 | -19.3 | 0 | 0 | 0 | 115.9 | |||||
| 278 | T | 41.1 | Very low | 40.1 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | 32.5 | 119.4 | 144.1 | 63.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 279 | N | 39.3 | Very low | 40.1 | Very low | 159 Ų | 159 | 122 Ų | 122 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | 31.1 | 108.9 | 130.4 | -155.7 | -35.2 | 0 | 0 | 0 | 118.8 | ||||
| 280 | V | 36.7 | Very low | 40.8 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -140.8 | 129.4 | 145.1 | 64.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 281 | S | 46.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -45.3 | 133.9 | 169.7 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 282 | G | 33.3 | Very low | 41.8 | Very low | 65 Ų | 65 | 120.5 Ų | 120.5 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | 174.8 | 91.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 283 | S | 42.4 | Very low | 42.4 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -56.2 | 145.6 | 162 | -70.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 284 | P | 45.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -121.7 | 111 | 136.6 | 29.6 | -16.9 | 0 | 0 | 0 | 109.9 | L286 | P284-L286 PolarHBondContact O-N 3.38Š| ||
| 285 | Q | 46.5 | Very low | 44.1 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -57.1 | 113.3 | 159.6 | -75.5 | -83.1 | 9.2 | 0 | 0 | 109.2 | ||||
| 286 | L | 42.8 | Very low | 44.9 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -137.5 | 109.2 | 160.3 | -70.9 | 176.9 | 0 | 0 | 0 | 109.3 | P284 S288 | P284-L286 PolarHBondContact O-N 3.38Å; L286-S288 PolarHBondContact O-N 2.98Å | ||
| 287 | C | 38.4 | Very low | 46.1 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -4.4 | 90.5 | 173.3 | 59.5 | 0 | 0 | 0 | 0 | 119 | S289 | C287-S289 PolarHBondContact O-N 3.36Š| ||
| 288 | S | 37.2 | Very low | 47.4 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -76.3 | 107.5 | 155.7 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | L286 P290 | L286-S288 PolarHBondContact O-N 2.98Å; S288-P290 WeakPolarHBondContact O-CD 3.38Å | ||
| 289 | S | 42 | Very low | 49.4 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 62% | 0.622 | 73% | 0.729 | S | S | * | * | trans | -72.7 | 120.2 | 165.9 | -156.6 | 0 | 0 | 0 | 0 | 108.5 | C287 D291 | C287-S289 PolarHBondContact O-N 3.36Å; S289-D291 PolarHBondContact O-N 2.98Å | ||
| 290 | P | 51.4 | Low | 51.3 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 5.5 | -165.4 | 26.4 | -33.2 | 0 | 0 | 0 | 116.4 | S288 | S288-P290 WeakPolarHBondContact O-CD 3.38Š|
| 291 | D | 47.5 | Very low | 53.2 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -2.7 | -170.7 | -160.1 | -112.2 | 0 | 0 | 0 | 115.4 | S289 | S289-D291 PolarHBondContact O-N 2.98Š|
| 292 | S | 48.9 | Very low | 55.1 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 59% | 0.587 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -100.3 | -9.1 | -171.2 | 64.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 293 | D | 49.3 | Very low | 57.6 | Low | 107 Ų | 107 | 117.4 Ų | 117.4 | 57% | 0.572 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -101.5 | -11.3 | -172.1 | -75.6 | -59.3 | 0 | 0 | 0 | 116 | W295 R296 | D293-W295 PolarHBondContact O-N 3.3Å; D293-W295 VanDerWaalsContact O-N 3.15Å; D293-R296 PolarHBondContact O-N 3.41Å |
| 294 | M | 57.2 | Low | 59.8 | Low | 148 Ų | 148 | 120.3 Ų | 120.3 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -25.6 | -178.7 | -71.3 | -179.3 | 100.8 | 0 | 0 | 113.5 | ||
| 295 | W | 55.7 | Low | 61.5 | Low | 234 Ų | 234 | 122.5 Ų | 122.5 | 89% | 0.886 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -13.7 | -176.4 | -62 | 101.5 | 0 | 0 | 0 | 114.5 | D293 | D293-W295 PolarHBondContact O-N 3.3Å; D293-W295 VanDerWaalsContact O-N 3.15Å |
| 296 | R | 56.4 | Low | 63.3 | Low | 216 Ų | 216 | 122 Ų | 122 | 82% | 0.815 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -17.8 | -176.5 | -158.6 | 174.4 | -69.6 | -91.4 | 3.7 | 112.9 | D293 | D293-R296 PolarHBondContact O-N 3.41Š|
| 297 | G | 61.9 | Low | 65.3 | Low | 65 Ų | 65 | 117.6 Ų | 117.6 | 67% | 0.67 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -97.6 | -8.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117 | S299 | G297-S299 PolarHBondContact O-N 3.04Å; G297-S299 VanDerWaalsContact O-N 3.08Å |
| 298 | T | 74.1 | Confident | 67.3 | Low | 79 Ų | 79 | 117.1 Ų | 117.1 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | trans | -85.6 | 92.3 | -176 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | L303 | T298-L303 HydrophobicContact CG2-CB 4.25Å; T298-L303 HydrophobicContact CG2-CD1 3.64Å | ||
| 299 | S | 82.7 | Confident | 69.2 | Low | 67 Ų | 67 | 118.7 Ų | 118.7 | 47% | 0.469 | 62% | 0.62 | S | S | . | * | trans | -54.4 | 142.2 | 170.7 | 175.1 | 0 | 0 | 0 | 0 | 111 | G297 A301 S302 L303 | G297-S299 PolarHBondContact O-N 3.04Å; G297-S299 VanDerWaalsContact O-N 3.08Å; S299-A301 PolarHBondContact O-N 3.31Å; S299-A301 PolarHBondContact OG-N 3.12Å; S299-S302 WeakPolarHBondContact O-CA 3.5Å; S299-S302 WeakPolarHBondContact O-CB 3.38Å; S299-S302 PolarHBondContact O-N 3.08Å; S299-L303 PolarHBondContact O-N 3.29Å | ||
| 300 | I | 79.6 | Confident | 70.7 | Confident | 119 Ų | 119 | 120.6 Ų | 120.6 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -50.3 | -32.7 | 171.6 | -86.5 | 156 | 0 | 0 | 0 | 111.7 | R304 | I300-R304 WeakPolarHBondContact O-CB 3.43Å; I300-R304 VanDerWaalsContact O-CG 3.27Å; I300-R304 WeakPolarHBondContact O-CG 3.28Å; I300-R304 PolarHBondContact O-N 3.2Å |
| 301 | A | 76.9 | Confident | 71.6 | Confident | 52 Ų | 52 | 119 Ų | 119 | 43% | 0.43 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S299 R304 R305 | S299-A301 PolarHBondContact O-N 3.31Å; S299-A301 PolarHBondContact OG-N 3.12Å; A301-R304 PolarHBondContact O-N 3.09Å; A301-R305 WeakPolarHBondContact O-CG 3.44Å; A301-R305 PolarHBondContact O-N 3.07Å |
| 302 | S | 86.4 | Confident | 72.8 | Confident | 43 Ų | 43 | 116.8 Ų | 116.8 | 30% | 0.301 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.8 | -39.4 | 176.5 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S299 R305 K306 | S299-S302 WeakPolarHBondContact O-CA 3.5Å; S299-S302 WeakPolarHBondContact O-CB 3.38Å; S299-S302 PolarHBondContact O-N 3.08Å; S302-R305 PolarHBondContact O-N 3.02Å; S302-R305 PolarHBondContact OG-NH2 3.49Å; S302-K306 WeakPolarHBondContact O-CB 3.27Å; S302-K306 PolarHBondContact O-N 3.08Å |
| 303 | L | 86.7 | Confident | 73.8 | Confident | 114 Ų | 114 | 116.8 Ų | 116.8 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.7 | -40.9 | 176.5 | -149.5 | 77.9 | 0 | 0 | 0 | 111.9 | T298 S299 A307 | T298-L303 HydrophobicContact CG2-CB 4.25Å; T298-L303 HydrophobicContact CG2-CD1 3.64Å; S299-L303 PolarHBondContact O-N 3.29Å; L303-A307 PolarHBondContact O-N 3.02Å; L303-A307 VanDerWaalsContact O-N 3.09Å |
| 304 | R | 87.3 | Confident | 74.6 | Confident | 178 Ų | 178 | 117 Ų | 117 | 67% | 0.672 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.7 | -43.9 | 175.2 | -76.6 | 173.8 | 175.1 | 175.4 | -1.2 | 112.7 | I300 A301 A307 L308 | I300-R304 WeakPolarHBondContact O-CB 3.43Å; I300-R304 VanDerWaalsContact O-CG 3.27Å; I300-R304 WeakPolarHBondContact O-CG 3.28Å; I300-R304 PolarHBondContact O-N 3.2Å; A301-R304 PolarHBondContact O-N 3.09Å; R304-A307 PolarHBondContact O-N 3.27Å; R304-L308 PolarHBondContact O-N 3.28Å |
| 305 | R | 82.1 | Confident | 75.1 | Confident | 161 Ų | 161 | 113.9 Ų | 113.9 | 61% | 0.608 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.6 | -47.9 | 175.6 | -77.4 | -174.1 | -67.3 | 163.9 | -0.1 | 111.4 | A301 S302 A307 L308 E309 | A301-R305 WeakPolarHBondContact O-CG 3.44Å; A301-R305 PolarHBondContact O-N 3.07Å; S302-R305 PolarHBondContact O-N 3.02Å; S302-R305 PolarHBondContact OG-NH2 3.49Å; R305-A307 VanDerWaalsContact C-N 3.26Å; R305-A307 PolarHBondContact O-N 3.02Å; R305-L308 WeakPolarHBondContact O-CB 3.42Å; R305-L308 PolarHBondContact O-N 3.08Å; R305-L308 VanDerWaalsContact O-N 3.08Å; R305-E309 VanDerWaalsContact O-CG 3.28Å; R305-E309 WeakPolarHBondContact O-CG 3.46Å; R305-E309 PolarHBondContact O-N 3.26Å; R305-E309 VanDerWaalsContact O-N 3.08Å |
| 306 | K | 85.3 | Confident | 75.1 | Confident | 162 Ų | 162 | 111.5 Ų | 111.5 | 70% | 0.704 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.4 | -32.5 | 179.2 | -167.4 | 163.3 | 179.8 | 169.4 | 0 | 113 | S302 H310 | S302-K306 WeakPolarHBondContact O-CB 3.27Å; S302-K306 PolarHBondContact O-N 3.08Å; K306-H310 PolarHBondContact O-N 3.02Å; K306-H310 VanDerWaalsContact O-N 3.12Å |
| 307 | A | 83.7 | Confident | 74.9 | Confident | 57 Ų | 57 | 108.9 Ų | 108.9 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L303 R304 R305 H310 T311 | L303-A307 PolarHBondContact O-N 3.02Å; L303-A307 VanDerWaalsContact O-N 3.09Å; R304-A307 PolarHBondContact O-N 3.27Å; R305-A307 VanDerWaalsContact C-N 3.26Å; R305-A307 PolarHBondContact O-N 3.02Å; A307-H310 PolarHBondContact O-N 2.85Å; A307-T311 WeakPolarHBondContact O-CG2 3.5Å; A307-T311 PolarHBondContact O-N 3.3Å; A307-T311 PolarHBondContact O-OG1 3.18Å |
| 308 | L | 80.9 | Confident | 75.5 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 61% | 0.607 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -42.5 | 176 | -68.7 | 171.9 | 0 | 0 | 0 | 111.5 | R304 R305 H310 T311 V312 | R304-L308 PolarHBondContact O-N 3.28Å; R305-L308 WeakPolarHBondContact O-CB 3.42Å; R305-L308 PolarHBondContact O-N 3.08Å; R305-L308 VanDerWaalsContact O-N 3.08Å; L308-H310 VanDerWaalsContact C-N 3.29Å; L308-H310 PolarHBondContact O-N 3.34Å; L308-T311 WeakPolarHBondContact CA-OG1 3.3Å; L308-T311 PolarHBondContact O-N 3.4Å; L308-T311 VanDerWaalsContact O-N 3.13Å; L308-T311 PolarHBondContact O-OG1 3.05Å; L308-V312 WeakPolarHBondContact O-CG2 3.43Å; L308-V312 PolarHBondContact O-N 3.31Å |
| 309 | E | 77.9 | Confident | 75.6 | Confident | 148 Ų | 148 | 112.8 Ų | 112.8 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.6 | -41.8 | 176.1 | -58.7 | -107.2 | 138.8 | 0 | 0 | 111.4 | R305 T311 V312 S313 | R305-E309 VanDerWaalsContact O-CG 3.28Å; R305-E309 WeakPolarHBondContact O-CG 3.46Å; R305-E309 PolarHBondContact O-N 3.26Å; R305-E309 VanDerWaalsContact O-N 3.08Å; E309-T311 VanDerWaalsContact C-N 3.35Å; E309-T311 PolarHBondContact O-N 3.31Å; E309-V312 PolarHBondContact O-N 3.15Å; E309-S313 WeakPolarHBondContact O-CB 3.45Å; E309-S313 PolarHBondContact O-N 3.48Å |
| 310 | H | 73.4 | Confident | 75.2 | Confident | 129 Ų | 129 | 115.3 Ų | 115.3 | 60% | 0.597 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.1 | -35.4 | 176.7 | -165.2 | -81.8 | 0 | 0 | 0 | 112.5 | K306 A307 L308 M314 | K306-H310 PolarHBondContact O-N 3.02Å; K306-H310 VanDerWaalsContact O-N 3.12Å; A307-H310 PolarHBondContact O-N 2.85Å; L308-H310 VanDerWaalsContact C-N 3.29Å; L308-H310 PolarHBondContact O-N 3.34Å; H310-M314 WeakPolarHBondContact O-CG 3.42Å; H310-M314 PolarHBondContact O-N 3.23Å |
| 311 | T | 70.2 | Confident | 74.9 | Confident | 87 Ų | 87 | 115.1 Ų | 115.1 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.6 | -35.8 | 174 | 53.3 | 0 | 0 | 0 | 0 | 113 | A307 L308 E309 S315 | A307-T311 WeakPolarHBondContact O-CG2 3.5Å; A307-T311 PolarHBondContact O-N 3.3Å; A307-T311 PolarHBondContact O-OG1 3.18Å; L308-T311 WeakPolarHBondContact CA-OG1 3.3Å; L308-T311 PolarHBondContact O-N 3.4Å; L308-T311 VanDerWaalsContact O-N 3.13Å; L308-T311 PolarHBondContact O-OG1 3.05Å; E309-T311 VanDerWaalsContact C-N 3.35Å; E309-T311 PolarHBondContact O-N 3.31Å; T311-S315 PolarHBondContact O-N 3.21Å |
| 312 | V | 71.1 | Confident | 74.8 | Confident | 86 Ų | 86 | 119.1 Ų | 119.1 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.2 | -41.4 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L308 E309 M314 S315 | L308-V312 WeakPolarHBondContact O-CG2 3.43Å; L308-V312 PolarHBondContact O-N 3.31Å; E309-V312 PolarHBondContact O-N 3.15Å; V312-M314 VanDerWaalsContact C-N 3.3Å; V312-M314 PolarHBondContact O-N 3.34Å; V312-S315 PolarHBondContact O-N 3.49Å; V312-S315 VanDerWaalsContact O-N 3.17Å; V312-S315 PolarHBondContact O-OG 3.37Å |
| 313 | S | 71.7 | Confident | 74 | Confident | 84 Ų | 84 | 124.1 Ų | 124.1 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62 | -35.3 | 178 | -168.8 | 0 | 0 | 0 | 0 | 113.1 | E309 S315 | E309-S313 WeakPolarHBondContact O-CB 3.45Å; E309-S313 PolarHBondContact O-N 3.48Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.32Å |
| 314 | M | 66.3 | Low | 73.1 | Confident | 112 Ų | 112 | 124.9 Ų | 124.9 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -77.2 | -13.9 | 177.9 | -69 | -96.8 | 73.4 | 0 | 0 | 114.2 | H310 V312 F316 | H310-M314 WeakPolarHBondContact O-CG 3.42Å; H310-M314 PolarHBondContact O-N 3.23Å; V312-M314 VanDerWaalsContact C-N 3.3Å; V312-M314 PolarHBondContact O-N 3.34Å; M314-F316 VanDerWaalsContact C-N 3.31Å |
| 315 | S | 66.3 | Low | 72 | Confident | 83 Ų | 83 | 120.8 Ų | 120.8 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -2.5 | 177.7 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | T311 V312 S313 | T311-S315 PolarHBondContact O-N 3.21Å; V312-S315 PolarHBondContact O-N 3.49Å; V312-S315 VanDerWaalsContact O-N 3.17Å; V312-S315 PolarHBondContact O-OG 3.37Å; S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S315 PolarHBondContact O-N 3.32Å |
| 316 | F | 56.8 | Low | 71.2 | Confident | 183 Ų | 183 | 117.4 Ų | 117.4 | 80% | 0.803 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 12.9 | -179 | -88 | -81.1 | 0 | 0 | 0 | 114.3 | M314 | M314-F316 VanDerWaalsContact C-N 3.31Š|
| 317 | T | 50.7 | Low | 69.9 | Low | 162 Ų | 162 | 113.4 Ų | 113.4 | 99% | 0.994 | 63% | 0.631 | S | S | * | * | trans | -117 | 0 | 171.5 | 63.4 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 317 of 317 residues in 373.4 ms
(Link to these results)