| 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 | 37 | Very low | 40.5 | Very low | 216 Ų | 216 | 147.1 Ų | 147.1 | 100% | 1.064 | 83% | 0.833 | S | S | * | * | 0 | 67.6 | 0 | -56.8 | 168.3 | -169.5 | 0 | 0 | 106.9 | |||||
| 2 | E | 37.1 | Very low | 40 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | 72.4 | 141.8 | 62 | -62.5 | 148.2 | 103.3 | 0 | 0 | 112.1 | |||||
| 3 | G | 39.5 | Very low | 40 | Very low | 79 Ų | 79 | 142.3 Ų | 142.3 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | cis | -126.8 | 168.8 | 12.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 4 | S | 45.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -94.8 | 138.8 | 171.2 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 5 | I | 48.8 | Very low | 39.8 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -134.6 | 121.8 | 156.8 | -56.7 | -178.4 | 0 | 0 | 0 | 109.3 | ||||
| 6 | R | 45.2 | Very low | 40.1 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -126.6 | 141.2 | 165.7 | -157.3 | -174.4 | -167.7 | -154.3 | 4.8 | 106.4 | ||||
| 7 | P | 51.5 | Low | 40.7 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | trans | -137.7 | 169.5 | 134.9 | 13 | 9.8 | 0 | 0 | 0 | 115.3 | ||||
| 8 | H | 34.8 | Very low | 40.7 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -20.3 | 160.7 | 162 | -40.4 | -70.3 | 0 | 0 | 0 | 118.9 | ||||
| 9 | G | 31.5 | Very low | 41.2 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 82% | 0.815 | S | S | * | * | cis | 135.9 | 161.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 10 | L | 38.9 | Very low | 41.3 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | 69.8 | 152.7 | -175.8 | -46.8 | 175.5 | 0 | 0 | 0 | 113.8 | ||||
| 11 | A | 35.8 | Very low | 41.3 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | cis | -163 | 169.2 | -17.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 12 | G | 33.9 | Very low | 42 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 81% | 0.805 | S | S | * | * | cis | 153.8 | 33.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 13 | H | 40.1 | Very low | 42.5 | Very low | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.787 | 81% | 0.805 | S | S | * | * | trans | -139.4 | 120.8 | 178.7 | -52.2 | -69.4 | 0 | 0 | 0 | 109.1 | ||||
| 14 | S | 36.8 | Very low | 42.7 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | 55.3 | 118.6 | 68.2 | 76 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 15 | S | 40.7 | Very low | 43.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | -143.7 | 171.1 | 53.1 | 52 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 16 | S | 45.1 | Very low | 43.5 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -81.5 | 161.1 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 17 | P | 50.5 | Low | 44.1 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -78.6 | 152.7 | 178.5 | 33.2 | -36.6 | 0 | 0 | 0 | 113.1 | ||||
| 18 | L | 39.9 | Very low | 44.2 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -133.8 | 116.1 | 165.6 | -73.2 | 176.6 | 0 | 0 | 0 | 110.4 | ||||
| 19 | S | 50.4 | Low | 45.2 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -87.7 | 123.1 | 174.3 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | V | 43 | Very low | 46.3 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 87% | 0.873 | 82% | 0.815 | S | S | * | * | trans | -143.6 | 137.9 | 162.2 | -174.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 21 | G | 41.1 | Very low | 47 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 75.8 | 94.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 22 | G | 52.4 | Low | 47.9 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 133.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 23 | L | 46 | Very low | 48.8 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -154.6 | 128.9 | 143.5 | -103.2 | 176.5 | 0 | 0 | 0 | 108.4 | ||||
| 24 | Q | 44.8 | Very low | 49.5 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -93.3 | 124 | -171.5 | -172.4 | 177.2 | 21.3 | 0 | 0 | 110.7 | ||||
| 25 | M | 57.6 | Low | 50.4 | Low | 162 Ų | 162 | 134 Ų | 134 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -115.9 | 130.5 | 174.7 | -75.7 | -68 | 166.7 | 0 | 0 | 111.1 | ||||
| 26 | P | 53.5 | Low | 51.1 | Low | 102 Ų | 102 | 137.5 Ų | 137.5 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | trans | -79.7 | 137.7 | -175.1 | 31.1 | -34.6 | 0 | 0 | 0 | 112.7 | S28 | P26-S28 PolarHBondContact O-N 3.2Š| ||
| 27 | A | 56.9 | Low | 51.5 | Low | 111 Ų | 111 | 140.3 Ų | 140.3 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | trans | -77.9 | 58 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 28 | S | 54.9 | Low | 51.4 | Low | 91 Ų | 91 | 145.8 Ų | 145.8 | 64% | 0.636 | 82% | 0.818 | S | S | * | * | trans | -94.7 | -2 | -168.5 | -58.1 | 0 | 0 | 0 | 0 | 116 | P26 | P26-S28 PolarHBondContact O-N 3.2Š| ||
| 29 | L | 54.8 | Low | 51.6 | Low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -104.1 | 8.5 | -168.3 | -62.6 | -177.8 | 0 | 0 | 0 | 116.1 | ||
| 30 | L | 55.6 | Low | 51.4 | Low | 176 Ų | 176 | 140.7 Ų | 140.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -117.4 | 72.4 | 175 | -73.7 | 173.1 | 0 | 0 | 0 | 111.7 | ||||
| 31 | R | 52.5 | Low | 51.8 | Low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -136.5 | 106.6 | 167.1 | -163.6 | 168.9 | -164.9 | 124.2 | 5 | 111.4 | ||||
| 32 | P | 55.6 | Low | 51.8 | Low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -66.9 | 152 | 174 | 28.8 | -34.1 | 0 | 0 | 0 | 110.8 | ||||
| 33 | P | 52 | Low | 51.7 | Low | 106 Ų | 106 | 146.4 Ų | 146.4 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | trans | -65.9 | 144.6 | 180 | 27.7 | -34.8 | 0 | 0 | 0 | 111.3 | L35 | P33-L35 PolarHBondContact O-N 3.08Å; P33-L35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | P | 55.7 | Low | 51.8 | Low | 105 Ų | 105 | 144.8 Ų | 144.8 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | -71 | 106.8 | -178.7 | 28.7 | -33.9 | 0 | 0 | 0 | 110.8 | F36 | P34-F36 PolarHBondContact O-N 3.19Š| ||
| 35 | L | 55.2 | Low | 51.9 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -64.4 | 115.5 | 166.7 | -64.8 | -180 | 0 | 0 | 0 | 108.9 | P33 L37 | P33-L35 PolarHBondContact O-N 3.08Å; P33-L35 VanDerWaalsContact O-N 3.08Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 3.31Å | ||
| 36 | F | 54.8 | Low | 51.6 | Low | 195 Ų | 195 | 142.3 Ų | 142.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 83.1 | 178.2 | -73.7 | -87.7 | 0 | 0 | 0 | 110.9 | P34 R38 | P34-F36 PolarHBondContact O-N 3.19Å; F36-R38 PolarHBondContact O-N 3.02Å | ||
| 37 | L | 54.3 | Low | 51.7 | Low | 169 Ų | 169 | 145 Ų | 145 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | trans | -67.6 | 76.4 | 169.2 | -76.7 | 171.2 | 0 | 0 | 0 | 110.3 | L35 A39 | L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 3.31Å; L37-A39 PolarHBondContact O-N 3.43Å | ||
| 38 | R | 48.7 | Very low | 51.5 | Low | 232 Ų | 232 | 151 Ų | 151 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -60.5 | 101.7 | 169 | -179.5 | -177.3 | -178.4 | 94.5 | -2.1 | 108.1 | F36 A40 | F36-R38 PolarHBondContact O-N 3.02Å; R38-A40 PolarHBondContact O-N 2.9Å | ||
| 39 | A | 43.6 | Very low | 51.5 | Low | 101 Ų | 101 | 150.7 Ų | 150.7 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -56.6 | 98.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L37 A41 | L37-A39 PolarHBondContact O-N 3.43Å; A39-A41 PolarHBondContact O-N 3.45Å | ||
| 40 | A | 46.4 | Very low | 52.1 | Low | 87 Ų | 87 | 152 Ų | 152 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | trans | -76.2 | 106.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | R38 C42 | R38-A40 PolarHBondContact O-N 2.9Å; A40-C42 PolarHBondContact O-N 3.04Å; A40-C42 VanDerWaalsContact O-N 3.15Å | ||
| 41 | A | 51.6 | Low | 53.3 | Low | 93 Ų | 93 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -53.1 | 122 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A39 K43 | A39-A41 PolarHBondContact O-N 3.45Å; A41-K43 PolarHBondContact O-N 2.73Å | ||
| 42 | C | 39.9 | Very low | 54.7 | Low | 130 Ų | 130 | 148.9 Ų | 148.9 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -60.6 | 104 | -168.6 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | A40 P44 | A40-C42 PolarHBondContact O-N 3.04Å; A40-C42 VanDerWaalsContact O-N 3.15Å; C42-P44 WeakPolarHBondContact O-CD 3.26Å | ||
| 43 | K | 51.9 | Low | 56 | Low | 195 Ų | 195 | 148.4 Ų | 148.4 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -92.2 | 113.4 | 165 | -70.7 | -177.2 | 179.3 | 178.1 | 0 | 108.2 | A41 S45 | A41-K43 PolarHBondContact O-N 2.73Å; K43-S45 PolarHBondContact O-N 3.22Å | ||
| 44 | P | 48.1 | Very low | 58 | Low | 132 Ų | 132 | 147.4 Ų | 147.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -75.1 | 95.2 | -178.9 | 29.8 | -34 | 0 | 0 | 0 | 110.6 | C42 | C42-P44 WeakPolarHBondContact O-CD 3.26Š|
| 45 | S | 46.1 | Very low | 59.8 | Low | 91 Ų | 91 | 148.7 Ų | 148.7 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -178.2 | 88.4 | 149.3 | -176.9 | 0 | 0 | 0 | 0 | 109 | K43 E47 | K43-S45 PolarHBondContact O-N 3.22Å; S45-E47 PolarHBondContact O-N 3.03Å; S45-E47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | M | 51.6 | Low | 61.8 | Low | 207 Ų | 207 | 141.9 Ų | 141.9 | 100% | 1.02 | 75% | 0.754 | S | S | * | * | trans | -83.4 | 61.8 | 162.8 | -170.8 | 179.1 | 168.4 | 0 | 0 | 108.9 | ||||
| 47 | E | 55.4 | Low | 63.7 | Low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -119.7 | 116.2 | 171.5 | -164.9 | -179.5 | -123.7 | 0 | 0 | 110.2 | S45 G49 | S45-E47 PolarHBondContact O-N 3.03Å; S45-E47 VanDerWaalsContact O-N 3.14Å; E47-G49 PolarHBondContact O-N 3.24Å; E47-G49 VanDerWaalsContact O-N 3.15Å |
| 48 | R | 53.2 | Low | 65.7 | Low | 238 Ų | 238 | 128.5 Ų | 128.5 | 90% | 0.898 | 69% | 0.692 | S | S | * | * | trans | 9.2 | 87.7 | 166.6 | -162.1 | 152.4 | -68.5 | -116.8 | -3.7 | 115 | Y50 | R48-Y50 VanDerWaalsContact C-N 3.28Å; R48-Y50 PolarHBondContact O-N 3.17Å | ||
| 49 | G | 54.7 | Low | 68 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 87% | 0.866 | 65% | 0.651 | S | S | * | * | trans | -65.5 | 65.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117 | E47 | E47-G49 PolarHBondContact O-N 3.24Å; E47-G49 VanDerWaalsContact O-N 3.15Å | ||
| 50 | Y | 68 | Low | 70.5 | Confident | 197 Ų | 197 | 120.6 Ų | 120.6 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | trans | -75.9 | 130.9 | 169.7 | -152.4 | -89.6 | 0 | 0 | 0 | 109.8 | R48 R52 | R48-Y50 VanDerWaalsContact C-N 3.28Å; R48-Y50 PolarHBondContact O-N 3.17Å; Y50-R52 PolarHBondContact O-N 3.44Å | ||
| 51 | P | 79.9 | Confident | 72.9 | Confident | 101 Ų | 101 | 117.9 Ų | 117.9 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | trans | -62.2 | 115.9 | -179 | 24.5 | -33.3 | 0 | 0 | 0 | 110.3 | T53 | P51-T53 PolarHBondContact O-N 2.74Š| ||
| 52 | R | 82.9 | Confident | 75 | Confident | 243 Ų | 243 | 116.6 Ų | 116.6 | 92% | 0.917 | 59% | 0.592 | S | S | * | * | trans | -56.7 | 113.7 | -179 | -75.7 | -66 | -153.4 | -176.6 | 2.8 | 110 | Y50 | Y50-R52 PolarHBondContact O-N 3.44Š| ||
| 53 | T | 82.5 | Confident | 77.7 | Confident | 98 Ų | 98 | 113.6 Ų | 113.6 | 60% | 0.601 | 58% | 0.584 | S | S | * | * | trans | -63.1 | 132.2 | -178.2 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | P51 | P51-T53 PolarHBondContact O-N 2.74Š| ||
| 54 | P | 92.7 | Very high | 79.8 | Confident | 85 Ų | 85 | 107.3 Ų | 107.3 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | trans | -67.3 | 138.6 | -176.8 | 25.8 | -33.4 | 0 | 0 | 0 | 110.8 | L68 | P54-L68 HydrophobicContact CB-CB 4.16Å; P54-L68 HydrophobicContact CB-CD2 4.09Å; P54-L68 HydrophobicContact CG-CB 4.29Å; P54-L68 VanDerWaalsContact O-CB 3.24Å; P54-L68 WeakPolarHBondContact O-CB 3.46Å; P54-L68 PolarHBondContact O-N 2.96Å | ||
| 55 | K | 94.9 | Very high | 82 | Confident | 133 Ų | 133 | 105.6 Ų | 105.6 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | B | Isolated β-bridge | trans | -104.2 | 150.2 | -179.3 | -67.1 | 174.7 | 172.9 | -173.6 | 0 | 110.8 | A57 V65 S66 | K55-A57 PolarHBondContact O-N 2.96Å; K55-V65 HydrophobicContact CD-CG1 3.76Å; K55-V65 HydrophobicContact CG-CG1 4.28Å; K55-S66 CarbonylContact C-O 3.55Å; K55-S66 WeakPolarHBondContact CA-O 3.24Å |
| 56 | C | 95.7 | Very high | 84.3 | Confident | 10 Ų | 10 | 102.4 Ų | 102.4 | 7% | 0.068 | 53% | 0.526 | C | S | . | . | trans | -70.2 | 115 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | R58 C59 R60 S66 L68 | C56-R58 PolarHBondContact O-N 3.18Å; C56-C59 HydrophobicContact CB-CB 4.2Å; C56-C59 PolarHBondContact O-N 2.85Å; C56-C59 VanDerWaalsContact SG-SG 3.67Å; C56-R60 PolarHBondContact O-N 3.15Å; C56-S66 PolarHBondContact N-O 3.09Å; C56-L68 HydrophobicContact CB-CD1 4.37Å | ||
| 57 | A | 95.6 | Very high | 86.3 | Confident | 31 Ų | 31 | 95.4 Ų | 95.4 | 26% | 0.256 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.2 | -30.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | K55 R60 N61 I88 | K55-A57 PolarHBondContact O-N 2.96Å; A57-R60 PolarHBondContact O-N 2.95Å; A57-N61 PolarHBondContact O-N 3.39Å; A57-N61 PolarHBondContact O-OD1 3.23Å; A57-I88 HydrophobicContact CB-CD1 3.82Å; A57-I88 HydrophobicContact CB-CG2 4.49Å |
| 58 | R | 96.6 | Very high | 88 | Confident | 53 Ų | 53 | 91.6 Ų | 91.6 | 20% | 0.2 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.1 | -52.1 | 173.2 | -77.6 | 175.1 | 167.4 | -83.5 | -0.6 | 111.2 | C56 R60 N61 H62 W77 R78 C80 | C56-R58 PolarHBondContact O-N 3.18Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.34Å; R58-N61 WeakPolarHBondContact O-CB 3.16Å; R58-N61 PolarHBondContact O-N 3.36Å; R58-N61 VanDerWaalsContact O-N 3.16Å; R58-H62 PolarHBondContact O-CD2 2.68Å; R58-W77 HydrophobicContact CB-CB 4.48Å; R58-W77 WeakPolarHBondContact CD-O 3.44Å; R58-W77 PolarHBondContact NH1-O 3.44Å; R58-R78 PolarHBondContact NE-O 3.02Å; R58-R78 PolarHBondContact NH1-O 2.8Å; R58-R78 VanDerWaalsContact NH1-O 3.07Å; R58-C80 PolarHBondContact NH1-O 3.39Å |
| 59 | C | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 112.5 | C56 N61 H62 G63 V64 H71 W77 | C56-C59 HydrophobicContact CB-CB 4.2Å; C56-C59 PolarHBondContact O-N 2.85Å; C56-C59 VanDerWaalsContact SG-SG 3.67Å; C59-N61 PolarHBondContact O-N 2.87Å; C59-H62 CarbonylContact O-C 3.35Å; C59-H62 WeakPolarHBondContact O-CA 3.5Å; C59-H62 PolarHBondContact O-N 3.09Å; C59-G63 PolarHBondContact O-N 2.83Å; C59-V64 CarbonylContact C-O 2.96Å; C59-V64 HydrophobicContact CB-CB 4.46Å; C59-V64 WeakPolarHBondContact CB-O 3.46Å; C59-V64 PolarHBondContact O-N 3.01Å; C59-V64 VanDerWaalsContact O-N 3.14Å; C59-V64 VanDerWaalsContact O-O 3.11Å; C59-H71 PolarHBondContact SG-NE2 3.18Å; C59-W77 HydrophobicContact CB-CE3 3.94Å; C59-W77 HydrophobicContact CB-CZ3 3.8Å; C59-W77 VanDerWaalsContact SG-CE3 3.57Å |
| 60 | R | 96.3 | Very high | 91.6 | Very high | 166 Ų | 166 | 88.2 Ų | 88.2 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.6 | -33.8 | 179.3 | -170.2 | -178 | 66.8 | 165.5 | 1.5 | 112.7 | C56 A57 R58 H62 G63 V64 | C56-R60 PolarHBondContact O-N 3.15Å; A57-R60 PolarHBondContact O-N 2.95Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.34Å; R60-H62 PolarHBondContact O-N 3.48Å; R60-G63 PolarHBondContact O-N 2.92Å; R60-V64 PolarHBondContact N-O 3.32Å |
| 61 | N | 96.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 80.5 Ų | 80.5 | 16% | 0.16 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.3 | -25.2 | 175.7 | -71.9 | -8.5 | 0 | 0 | 0 | 113.6 | A57 R58 C59 K84 C85 I88 | A57-N61 PolarHBondContact O-N 3.39Å; A57-N61 PolarHBondContact O-OD1 3.23Å; R58-N61 WeakPolarHBondContact O-CB 3.16Å; R58-N61 PolarHBondContact O-N 3.36Å; R58-N61 VanDerWaalsContact O-N 3.16Å; C59-N61 PolarHBondContact O-N 2.87Å; N61-K84 HydrophobicContact CB-CB 3.99Å; N61-K84 HydrophobicContact CB-CD 4.12Å; N61-K84 WeakPolarHBondContact ND2-CB 3.45Å; N61-K84 PolarHBondContact ND2-O 2.99Å; N61-K84 PolarHBondContact O-NZ 3.35Å; N61-C85 PolarHBondContact ND2-N 3.39Å; N61-C85 PolarHBondContact ND2-SG 3.34Å; N61-C85 VanDerWaalsContact ND2-SG 3.36Å; N61-I88 WeakPolarHBondContact ND2-CD1 3.43Å |
| 62 | H | 97 | Very high | 93.5 | Very high | 66 Ų | 66 | 83.8 Ų | 83.8 | 31% | 0.306 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 19.2 | 179.6 | -63.2 | -81.5 | 0 | 0 | 0 | 112.4 | R58 C59 R60 V64 W77 C80 | R58-H62 PolarHBondContact O-CD2 2.68Å; C59-H62 CarbonylContact O-C 3.35Å; C59-H62 WeakPolarHBondContact O-CA 3.5Å; C59-H62 PolarHBondContact O-N 3.09Å; R60-H62 PolarHBondContact O-N 3.48Å; H62-V64 VanDerWaalsContact C-N 3.32Å; H62-V64 PolarHBondContact O-N 3.36Å; H62-W77 HydrophobicContact CB-CD2 3.99Å; H62-W77 HydrophobicContact CB-CG 4.37Å; H62-W77 HydrophobicContact CB-CH2 4.44Å; H62-W77 HydrophobicContact CB-CZ2 3.84Å; H62-W77 AromaticContact CD2-CD1 3.36Å; H62-W77 AromaticContact CD2-CD2 3.89Å; H62-W77 AromaticContact CD2-CG 3.39Å; H62-W77 AromaticContact CD2-NE1 3.8Å; H62-W77 AromaticContact CE1-CD1 3.76Å; H62-W77 AromaticContact CG-CD1 3.55Å; H62-W77 AromaticContact CG-CE2 3.81Å; H62-W77 AromaticContact CG-CG 3.87Å; H62-W77 AromaticContact CG-NE1 3.48Å; H62-W77 AromaticContact ND1-CD1 3.78Å; H62-W77 AromaticContact ND1-NE1 3.73Å; H62-W77 AromaticContact NE2-CD1 3.53Å; H62-W77 AromaticContact NE2-CG 3.86Å; H62-C80 PolarHBondContact NE2-SG 3.48Å; H62-C80 VanDerWaalsContact NE2-SG 3.42Å |
| 63 | G | 95.9 | Very high | 94 | Very high | 68 Ų | 68 | 80.9 Ų | 80.9 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -9.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | C59 R60 | C59-G63 PolarHBondContact O-N 2.83Å; R60-G63 PolarHBondContact O-N 2.92Å |
| 64 | V | 95.5 | Very high | 94.6 | Very high | 63 Ų | 63 | 83.5 Ų | 83.5 | 38% | 0.382 | 44% | 0.435 | S | S | . | . | trans | -99.4 | 132.3 | -176.9 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | C59 R60 H62 W77 | C59-V64 CarbonylContact C-O 2.96Å; C59-V64 HydrophobicContact CB-CB 4.46Å; C59-V64 WeakPolarHBondContact CB-O 3.46Å; C59-V64 PolarHBondContact O-N 3.01Å; C59-V64 VanDerWaalsContact O-N 3.14Å; C59-V64 VanDerWaalsContact O-O 3.11Å; R60-V64 PolarHBondContact N-O 3.32Å; H62-V64 VanDerWaalsContact C-N 3.32Å; H62-V64 PolarHBondContact O-N 3.36Å; V64-W77 HydrophobicContact CB-CH2 3.76Å; V64-W77 HydrophobicContact CB-CZ3 4Å; V64-W77 HydrophobicContact CG1-CH2 4.36Å; V64-W77 HydrophobicContact CG1-CZ3 4.38Å; V64-W77 HydrophobicContact CG2-CH2 3.71Å; V64-W77 HydrophobicContact CG2-CZ3 4.44Å | ||
| 65 | V | 94.3 | Very high | 94.8 | Very high | 95 Ų | 95 | 80 Ų | 80 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | trans | -97.3 | 110.1 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | K55 | K55-V65 HydrophobicContact CD-CG1 3.76Å; K55-V65 HydrophobicContact CG-CG1 4.28Å | ||
| 66 | S | 93.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 83.6 Ų | 83.6 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | trans | -114.7 | 142.3 | 171.5 | -46.5 | 0 | 0 | 0 | 0 | 110.2 | K55 C56 H71 | K55-S66 CarbonylContact C-O 3.55Å; K55-S66 WeakPolarHBondContact CA-O 3.24Å; C56-S66 PolarHBondContact N-O 3.09Å; S66-H71 PolarHBondContact OG-CE1 2.87Å | ||
| 67 | A | 93.7 | Very high | 94.9 | Very high | 60 Ų | 60 | 85.3 Ų | 85.3 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -63.9 | 147 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | H71 | A67-H71 WeakPolarHBondContact O-CB 3.46Å |
| 68 | L | 92.8 | Very high | 95 | Very high | 77 Ų | 77 | 89.6 Ų | 89.6 | 40% | 0.403 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -81.6 | -25.5 | -176.7 | -175.2 | 59.6 | 0 | 0 | 0 | 113.2 | P54 C56 G70 H71 | P54-L68 HydrophobicContact CB-CB 4.16Å; P54-L68 HydrophobicContact CB-CD2 4.09Å; P54-L68 HydrophobicContact CG-CB 4.29Å; P54-L68 VanDerWaalsContact O-CB 3.24Å; P54-L68 WeakPolarHBondContact O-CB 3.46Å; P54-L68 PolarHBondContact O-N 2.96Å; C56-L68 HydrophobicContact CB-CD1 4.37Å; L68-G70 PolarHBondContact O-N 3.33Å; L68-H71 PolarHBondContact O-N 2.98Å |
| 69 | K | 91.5 | Very high | 94.9 | Very high | 199 Ų | 199 | 92.3 Ų | 92.3 | 87% | 0.865 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 126.8 | 177.5 | -175.3 | 73.6 | 174.7 | -174.6 | 0 | 109.5 | H71 | K69-H71 PolarHBondContact O-N 3.35Š|
| 70 | G | 92.1 | Very high | 94.9 | Very high | 52 Ų | 52 | 93.9 Ų | 93.9 | 54% | 0.536 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | -31.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L68 K72 | L68-G70 PolarHBondContact O-N 3.33Å; G70-K72 VanDerWaalsContact C-N 3.3Å; G70-K72 PolarHBondContact O-N 2.97Å; G70-K72 VanDerWaalsContact O-N 3.12Å |
| 71 | H | 95.1 | Very high | 95 | Very high | 35 Ų | 35 | 92 Ų | 92 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -15.1 | -167.3 | -171.3 | 80.9 | 0 | 0 | 0 | 116 | C59 S66 A67 L68 K69 R73 F74 C75 | C59-H71 PolarHBondContact SG-NE2 3.18Å; S66-H71 PolarHBondContact OG-CE1 2.87Å; A67-H71 WeakPolarHBondContact O-CB 3.46Å; L68-H71 PolarHBondContact O-N 2.98Å; K69-H71 PolarHBondContact O-N 3.35Å; H71-R73 VanDerWaalsContact C-N 3.26Å; H71-R73 PolarHBondContact O-N 3.31Å; H71-R73 VanDerWaalsContact O-N 3.15Å; H71-F74 CarbonylContact O-C 3.6Å; H71-F74 PolarHBondContact O-N 3.18Å; H71-C75 WeakPolarHBondContact NE2-CA 3.38Å; H71-C75 WeakPolarHBondContact NE2-CB 3.44Å; H71-C75 PolarHBondContact NE2-SG 2.74Å; H71-C75 VanDerWaalsContact NE2-SG 3.45Å; H71-C75 WeakPolarHBondContact O-CB 3.42Å; H71-C75 PolarHBondContact O-N 3Å; H71-C75 VanDerWaalsContact O-N 3.1Å |
| 72 | K | 92.6 | Very high | 95.1 | Very high | 171 Ų | 171 | 92.7 Ų | 92.7 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -39 | -177.9 | -176.1 | 179.1 | -174.5 | -73.1 | 0 | 113.6 | G70 | G70-K72 VanDerWaalsContact C-N 3.3Å; G70-K72 PolarHBondContact O-N 2.97Å; G70-K72 VanDerWaalsContact O-N 3.12Å |
| 73 | R | 93.6 | Very high | 95.1 | Very high | 181 Ų | 181 | 93 Ų | 93 | 68% | 0.683 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -42.5 | -179.4 | -65.7 | -168.6 | -64.4 | -113.5 | 5 | 112.4 | H71 C75 R78 | H71-R73 VanDerWaalsContact C-N 3.26Å; H71-R73 PolarHBondContact O-N 3.31Å; H71-R73 VanDerWaalsContact O-N 3.15Å; R73-C75 VanDerWaalsContact C-N 3.33Å; R73-C75 PolarHBondContact O-N 3.2Å; R73-R78 PolarHBondContact O-NH1 3.27Å |
| 74 | F | 95.2 | Very high | 95.2 | Very high | 153 Ų | 153 | 96 Ų | 96 | 67% | 0.671 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -91.2 | 18.1 | -173.5 | -48.8 | -70.8 | 0 | 0 | 0 | 114 | H71 R76 | H71-F74 CarbonylContact O-C 3.6Å; H71-F74 PolarHBondContact O-N 3.18Å; F74-R76 PolarHBondContact O-N 3.46Å |
| 75 | C | 96.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 93 Ų | 93 | 7% | 0.074 | 47% | 0.469 | C | S | . | . | trans | -77.9 | 116.5 | -178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | H71 R73 W77 R78 | H71-C75 WeakPolarHBondContact NE2-CA 3.38Å; H71-C75 WeakPolarHBondContact NE2-CB 3.44Å; H71-C75 PolarHBondContact NE2-SG 2.74Å; H71-C75 VanDerWaalsContact NE2-SG 3.45Å; H71-C75 WeakPolarHBondContact O-CB 3.42Å; H71-C75 PolarHBondContact O-N 3Å; H71-C75 VanDerWaalsContact O-N 3.1Å; R73-C75 VanDerWaalsContact C-N 3.33Å; R73-C75 PolarHBondContact O-N 3.2Å; C75-W77 PolarHBondContact O-N 2.92Å; C75-R78 HydrophobicContact CB-CB 4.05Å; C75-R78 VanDerWaalsContact O-CB 3.24Å; C75-R78 WeakPolarHBondContact O-CB 3.25Å; C75-R78 PolarHBondContact O-N 3.05Å | ||
| 76 | R | 96.5 | Very high | 95.5 | Very high | 209 Ų | 209 | 92 Ų | 92 | 79% | 0.789 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -20.6 | 177.1 | -66.5 | 176.6 | 66.7 | -168.7 | 1.2 | 114.1 | F74 | F74-R76 PolarHBondContact O-N 3.46Š|
| 77 | W | 97.1 | Very high | 95.6 | Very high | 47 Ų | 47 | 96.6 Ų | 96.6 | 18% | 0.178 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 21.6 | 179.2 | -53.9 | -83.7 | 0 | 0 | 0 | 112.9 | R58 C59 H62 V64 C75 D79 C80 | R58-W77 HydrophobicContact CB-CB 4.48Å; R58-W77 WeakPolarHBondContact CD-O 3.44Å; R58-W77 PolarHBondContact NH1-O 3.44Å; C59-W77 HydrophobicContact CB-CE3 3.94Å; C59-W77 HydrophobicContact CB-CZ3 3.8Å; C59-W77 VanDerWaalsContact SG-CE3 3.57Å; H62-W77 HydrophobicContact CB-CD2 3.99Å; H62-W77 HydrophobicContact CB-CG 4.37Å; H62-W77 HydrophobicContact CB-CH2 4.44Å; H62-W77 HydrophobicContact CB-CZ2 3.84Å; H62-W77 AromaticContact CD2-CD1 3.36Å; H62-W77 AromaticContact CD2-CD2 3.89Å; H62-W77 AromaticContact CD2-CG 3.39Å; H62-W77 AromaticContact CD2-NE1 3.8Å; H62-W77 AromaticContact CE1-CD1 3.76Å; H62-W77 AromaticContact CG-CD1 3.55Å; H62-W77 AromaticContact CG-CE2 3.81Å; H62-W77 AromaticContact CG-CG 3.87Å; H62-W77 AromaticContact CG-NE1 3.48Å; H62-W77 AromaticContact ND1-CD1 3.78Å; H62-W77 AromaticContact ND1-NE1 3.73Å; H62-W77 AromaticContact NE2-CD1 3.53Å; H62-W77 AromaticContact NE2-CG 3.86Å; V64-W77 HydrophobicContact CB-CH2 3.76Å; V64-W77 HydrophobicContact CB-CZ3 4Å; V64-W77 HydrophobicContact CG1-CH2 4.36Å; V64-W77 HydrophobicContact CG1-CZ3 4.38Å; V64-W77 HydrophobicContact CG2-CH2 3.71Å; V64-W77 HydrophobicContact CG2-CZ3 4.44Å; C75-W77 PolarHBondContact O-N 2.92Å; W77-D79 PolarHBondContact O-N 2.99Å; W77-C80 HydrophobicContact CB-CB 3.9Å; W77-C80 WeakPolarHBondContact O-CB 3.32Å; W77-C80 PolarHBondContact O-N 2.96Å |
| 78 | R | 95.7 | Very high | 95.7 | Very high | 121 Ų | 121 | 94.9 Ų | 94.9 | 46% | 0.457 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -45.6 | 179.2 | -173.6 | -176.2 | 62.4 | -145.4 | -1 | 111.9 | R58 R73 C75 | R58-R78 PolarHBondContact NE-O 3.02Å; R58-R78 PolarHBondContact NH1-O 2.8Å; R58-R78 VanDerWaalsContact NH1-O 3.07Å; R73-R78 PolarHBondContact O-NH1 3.27Å; C75-R78 HydrophobicContact CB-CB 4.05Å; C75-R78 VanDerWaalsContact O-CB 3.24Å; C75-R78 WeakPolarHBondContact O-CB 3.25Å; C75-R78 PolarHBondContact O-N 3.05Å |
| 79 | D | 95.9 | Very high | 95.9 | Very high | 109 Ų | 109 | 93 Ų | 93 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 15.1 | -172 | -43.7 | -48.3 | 0 | 0 | 0 | 111.8 | W77 | W77-D79 PolarHBondContact O-N 2.99Š|
| 80 | C | 97 | Very high | 96.2 | Very high | 34 Ų | 34 | 87.3 Ų | 87.3 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | trans | -69.9 | 133.7 | 179.4 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | R58 H62 W77 C85 | R58-C80 PolarHBondContact NH1-O 3.39Å; H62-C80 PolarHBondContact NE2-SG 3.48Å; H62-C80 VanDerWaalsContact NE2-SG 3.42Å; W77-C80 HydrophobicContact CB-CB 3.9Å; W77-C80 WeakPolarHBondContact O-CB 3.32Å; W77-C80 PolarHBondContact O-N 2.96Å; C80-C85 WeakPolarHBondContact O-CB 3.32Å | ||
| 81 | V | 97.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 93 Ų | 93 | 76% | 0.758 | 45% | 0.445 | S | S | * | . | trans | -108.3 | 14.6 | -176.7 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | T86 | V81-T86 PolarHBondContact O-OG1 3.02Å; V81-T86 VanDerWaalsContact O-OG1 3.12Å | ||
| 82 | C | 98 | Very high | 96.6 | Very high | 45 Ų | 45 | 96.8 Ų | 96.8 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -63 | 150.4 | 174.8 | 79 | 0 | 0 | 0 | 0 | 110.9 | K84 C85 T86 | C82-K84 PolarHBondContact O-N 2.97Å; C82-C85 WeakPolarHBondContact O-CA 3.46Å; C82-C85 WeakPolarHBondContact O-CB 3.44Å; C82-C85 PolarHBondContact O-N 2.89Å; C82-T86 PolarHBondContact O-N 3.2Å; C82-T86 PolarHBondContact O-OG1 3.11Å |
| 83 | A | 97.6 | Very high | 96.9 | Very high | 74 Ų | 74 | 95.6 Ų | 95.6 | 61% | 0.612 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -48.7 | -42.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C85 T86 L87 | A83-C85 VanDerWaalsContact C-N 3.3Å; A83-C85 PolarHBondContact O-N 3.49Å; A83-T86 PolarHBondContact O-N 3.21Å; A83-L87 WeakPolarHBondContact O-CB 3.22Å; A83-L87 VanDerWaalsContact O-CG 3.3Å; A83-L87 WeakPolarHBondContact O-CG 3.33Å; A83-L87 PolarHBondContact O-N 3.23Å |
| 84 | K | 97.6 | Very high | 97.1 | Very high | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.3 | -36.5 | 176.6 | -54.9 | -177.6 | -171.7 | 175.8 | 0 | 113 | N61 C82 I88 | N61-K84 HydrophobicContact CB-CB 3.99Å; N61-K84 HydrophobicContact CB-CD 4.12Å; N61-K84 WeakPolarHBondContact ND2-CB 3.45Å; N61-K84 PolarHBondContact ND2-O 2.99Å; N61-K84 PolarHBondContact O-NZ 3.35Å; C82-K84 PolarHBondContact O-N 2.97Å; K84-I88 WeakPolarHBondContact O-CG1 3.34Å |
| 85 | C | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -82 | -36.6 | -179.6 | -74.4 | 0 | 0 | 0 | 0 | 111.8 | N61 C80 C82 A83 I88 A89 | N61-C85 PolarHBondContact ND2-N 3.39Å; N61-C85 PolarHBondContact ND2-SG 3.34Å; N61-C85 VanDerWaalsContact ND2-SG 3.36Å; C80-C85 WeakPolarHBondContact O-CB 3.32Å; C82-C85 WeakPolarHBondContact O-CA 3.46Å; C82-C85 WeakPolarHBondContact O-CB 3.44Å; C82-C85 PolarHBondContact O-N 2.89Å; A83-C85 VanDerWaalsContact C-N 3.3Å; A83-C85 PolarHBondContact O-N 3.49Å; C85-I88 PolarHBondContact O-N 3.39Å; C85-I88 VanDerWaalsContact O-N 3.11Å; C85-A89 PolarHBondContact O-N 2.99Å |
| 86 | T | 98 | Very high | 97.3 | Very high | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.454 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 172 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | V81 C82 A83 I88 A89 E90 | V81-T86 PolarHBondContact O-OG1 3.02Å; V81-T86 VanDerWaalsContact O-OG1 3.12Å; C82-T86 PolarHBondContact O-N 3.2Å; C82-T86 PolarHBondContact O-OG1 3.11Å; A83-T86 PolarHBondContact O-N 3.21Å; T86-I88 PolarHBondContact O-N 2.81Å; T86-A89 PolarHBondContact O-N 3.44Å; T86-A89 VanDerWaalsContact O-N 3.11Å; T86-E90 WeakPolarHBondContact O-CB 3.46Å; T86-E90 PolarHBondContact O-N 3.31Å |
| 87 | L | 97.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 84.1 Ų | 84.1 | 63% | 0.634 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.1 | -24.6 | 174.1 | -71.5 | 170 | 0 | 0 | 0 | 114.2 | A83 R91 | A83-L87 WeakPolarHBondContact O-CB 3.22Å; A83-L87 VanDerWaalsContact O-CG 3.3Å; A83-L87 WeakPolarHBondContact O-CG 3.33Å; A83-L87 PolarHBondContact O-N 3.23Å; L87-R91 WeakPolarHBondContact O-CB 3.36Å; L87-R91 PolarHBondContact O-N 3.3Å |
| 88 | I | 96.5 | Very high | 97.5 | Very high | 25 Ų | 25 | 87.4 Ų | 87.4 | 13% | 0.128 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -79.6 | -41.2 | 173.5 | -70.3 | 178.3 | 0 | 0 | 0 | 111.1 | A57 N61 K84 C85 T86 E90 R91 Q92 | A57-I88 HydrophobicContact CB-CD1 3.82Å; A57-I88 HydrophobicContact CB-CG2 4.49Å; N61-I88 WeakPolarHBondContact ND2-CD1 3.43Å; K84-I88 WeakPolarHBondContact O-CG1 3.34Å; C85-I88 PolarHBondContact O-N 3.39Å; C85-I88 VanDerWaalsContact O-N 3.11Å; T86-I88 PolarHBondContact O-N 2.81Å; I88-E90 VanDerWaalsContact C-N 3.31Å; I88-E90 PolarHBondContact O-N 2.96Å; I88-R91 PolarHBondContact O-N 2.77Å; I88-Q92 HydrophobicContact CG2-CG 4.37Å; I88-Q92 WeakPolarHBondContact O-CB 3.42Å; I88-Q92 VanDerWaalsContact O-CG 3.24Å; I88-Q92 WeakPolarHBondContact O-CG 3.25Å; I88-Q92 PolarHBondContact O-N 3.28Å |
| 89 | A | 96.9 | Very high | 97.6 | Very high | 36 Ų | 36 | 85 Ų | 85 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | C85 T86 Q92 R93 | C85-A89 PolarHBondContact O-N 2.99Å; T86-A89 PolarHBondContact O-N 3.44Å; T86-A89 VanDerWaalsContact O-N 3.11Å; A89-Q92 PolarHBondContact O-N 3.08Å; A89-R93 PolarHBondContact O-N 3.37Å |
| 90 | E | 97.7 | Very high | 97.7 | Very high | 81 Ų | 81 | 82.4 Ų | 82.4 | 38% | 0.379 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.6 | -54.9 | 175 | -168.1 | 53.2 | -128.7 | 0 | 0 | 111.6 | T86 I88 Q92 R93 V94 | T86-E90 WeakPolarHBondContact O-CB 3.46Å; T86-E90 PolarHBondContact O-N 3.31Å; I88-E90 VanDerWaalsContact C-N 3.31Å; I88-E90 PolarHBondContact O-N 2.96Å; E90-Q92 VanDerWaalsContact C-N 3.26Å; E90-Q92 PolarHBondContact O-N 2.97Å; E90-R93 PolarHBondContact O-N 3Å; E90-R93 VanDerWaalsContact O-N 3.09Å; E90-R93 IonicContact OE1-CZ 3.96Å; E90-R93 IonicContact OE1-NH1 2.96Å; E90-R93 PolarHBondContact OE1-NH1 3.07Å; E90-R93 IonicContact OE1-NH2 2.71Å; E90-R93 IonicContact OE2-CZ 2.92Å; E90-R93 VanDerWaalsContact OE2-CZ 3.27Å; E90-R93 IonicContact OE2-NH1 3.77Å; E90-R93 PolarHBondContact OE2-NH1 2.63Å; E90-R93 IonicContact OE2-NH2 2.71Å; E90-R93 PolarHBondContact OE2-NH2 3.18Å; E90-V94 PolarHBondContact O-N 3.09Å; E90-V94 VanDerWaalsContact O-N 3.08Å |
| 91 | R | 97.9 | Very high | 97.8 | Very high | 172 Ų | 172 | 85 Ų | 85 | 65% | 0.649 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.2 | -39.2 | 175.2 | -178.8 | -179.7 | -63 | -86.3 | -2.3 | 112.5 | L87 I88 M95 | L87-R91 WeakPolarHBondContact O-CB 3.36Å; L87-R91 PolarHBondContact O-N 3.3Å; I88-R91 PolarHBondContact O-N 2.77Å; R91-M95 HydrophobicContact CG-CG 4.38Å; R91-M95 HydrophobicContact CG-SD 3.95Å; R91-M95 WeakPolarHBondContact O-CB 3.38Å; R91-M95 VanDerWaalsContact O-CG 3.26Å; R91-M95 WeakPolarHBondContact O-CG 3.38Å; R91-M95 PolarHBondContact O-N 3.26Å |
| 92 | Q | 96.8 | Very high | 97.8 | Very high | 114 Ų | 114 | 87.2 Ų | 87.2 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 178.6 | -78.3 | 174.9 | -13.7 | 0 | 0 | 112.1 | I88 A89 E90 A96 | I88-Q92 HydrophobicContact CG2-CG 4.37Å; I88-Q92 WeakPolarHBondContact O-CB 3.42Å; I88-Q92 VanDerWaalsContact O-CG 3.24Å; I88-Q92 WeakPolarHBondContact O-CG 3.25Å; I88-Q92 PolarHBondContact O-N 3.28Å; A89-Q92 PolarHBondContact O-N 3.08Å; E90-Q92 VanDerWaalsContact C-N 3.26Å; E90-Q92 PolarHBondContact O-N 2.97Å; Q92-A96 VanDerWaalsContact O-CB 3.29Å; Q92-A96 WeakPolarHBondContact O-CB 3.33Å; Q92-A96 PolarHBondContact O-N 2.83Å |
| 93 | R | 98 | Very high | 97.9 | Very high | 145 Ų | 145 | 93.7 Ų | 93.7 | 55% | 0.547 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 175.2 | -148.8 | -169.1 | -43.9 | 93.5 | 2.1 | 111.5 | A89 E90 M95 A96 A97 | A89-R93 PolarHBondContact O-N 3.37Å; E90-R93 PolarHBondContact O-N 3Å; E90-R93 VanDerWaalsContact O-N 3.09Å; E90-R93 IonicContact OE1-CZ 3.96Å; E90-R93 IonicContact OE1-NH1 2.96Å; E90-R93 PolarHBondContact OE1-NH1 3.07Å; E90-R93 IonicContact OE1-NH2 2.71Å; E90-R93 IonicContact OE2-CZ 2.92Å; E90-R93 VanDerWaalsContact OE2-CZ 3.27Å; E90-R93 IonicContact OE2-NH1 3.77Å; E90-R93 PolarHBondContact OE2-NH1 2.63Å; E90-R93 IonicContact OE2-NH2 2.71Å; E90-R93 PolarHBondContact OE2-NH2 3.18Å; R93-M95 PolarHBondContact O-N 2.91Å; R93-A96 PolarHBondContact O-N 3Å; R93-A97 PolarHBondContact O-N 3.02Å |
| 94 | V | 98.1 | Very high | 97.9 | Very high | 86 Ų | 86 | 95 Ų | 95 | 52% | 0.521 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | E90 A96 A97 Q98 | E90-V94 PolarHBondContact O-N 3.09Å; E90-V94 VanDerWaalsContact O-N 3.08Å; V94-A96 VanDerWaalsContact C-N 3.35Å; V94-A96 PolarHBondContact O-N 2.99Å; V94-A97 PolarHBondContact O-N 2.86Å; V94-Q98 WeakPolarHBondContact O-CB 3.41Å; V94-Q98 PolarHBondContact O-N 2.77Å |
| 95 | M | 98.3 | Very high | 97.9 | Very high | 105 Ų | 105 | 94 Ų | 94 | 52% | 0.517 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 175.6 | -73.4 | -179.3 | 69.7 | 0 | 0 | 112.6 | R91 R93 Q98 V99 | R91-M95 HydrophobicContact CG-CG 4.38Å; R91-M95 HydrophobicContact CG-SD 3.95Å; R91-M95 WeakPolarHBondContact O-CB 3.38Å; R91-M95 VanDerWaalsContact O-CG 3.26Å; R91-M95 WeakPolarHBondContact O-CG 3.38Å; R91-M95 PolarHBondContact O-N 3.26Å; R93-M95 PolarHBondContact O-N 2.91Å; M95-Q98 PolarHBondContact O-N 3.12Å; M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 VanDerWaalsContact O-CG2 3.27Å; M95-V99 WeakPolarHBondContact O-CG2 3.47Å; M95-V99 PolarHBondContact O-N 2.6Å |
| 96 | A | 98.3 | Very high | 97.9 | Very high | 59 Ų | 59 | 96.6 Ų | 96.6 | 49% | 0.488 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q92 R93 V94 Q98 V99 A100 | Q92-A96 VanDerWaalsContact O-CB 3.29Å; Q92-A96 WeakPolarHBondContact O-CB 3.33Å; Q92-A96 PolarHBondContact O-N 2.83Å; R93-A96 PolarHBondContact O-N 3Å; V94-A96 VanDerWaalsContact C-N 3.35Å; V94-A96 PolarHBondContact O-N 2.99Å; A96-Q98 PolarHBondContact O-N 3.29Å; A96-V99 PolarHBondContact O-N 2.92Å; A96-A100 WeakPolarHBondContact O-CB 3.2Å; A96-A100 PolarHBondContact O-N 3.47Å |
| 97 | A | 98.2 | Very high | 97.8 | Very high | 64 Ų | 64 | 98.2 Ų | 98.2 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R93 V94 V99 A100 L101 | R93-A97 PolarHBondContact O-N 3.02Å; V94-A97 PolarHBondContact O-N 2.86Å; A97-V99 VanDerWaalsContact C-N 3.34Å; A97-V99 PolarHBondContact O-N 2.95Å; A97-A100 PolarHBondContact O-N 3Å; A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 3.44Å |
| 98 | Q | 98.6 | Very high | 97.8 | Very high | 115 Ų | 115 | 96.9 Ų | 96.9 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 177.3 | -167.4 | -177.5 | 27.3 | 0 | 0 | 112.9 | V94 M95 A96 R102 | V94-Q98 WeakPolarHBondContact O-CB 3.41Å; V94-Q98 PolarHBondContact O-N 2.77Å; M95-Q98 PolarHBondContact O-N 3.12Å; A96-Q98 PolarHBondContact O-N 3.29Å; Q98-R102 PolarHBondContact O-N 2.71Å |
| 99 | V | 98.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 100.8 Ų | 100.8 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.5 | -36.5 | 174.9 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | M95 A96 A97 R103 | M95-V99 WeakPolarHBondContact O-CB 3.26Å; M95-V99 VanDerWaalsContact O-CG2 3.27Å; M95-V99 WeakPolarHBondContact O-CG2 3.47Å; M95-V99 PolarHBondContact O-N 2.6Å; A96-V99 PolarHBondContact O-N 2.92Å; A97-V99 VanDerWaalsContact C-N 3.34Å; A97-V99 PolarHBondContact O-N 2.95Å; V99-R103 WeakPolarHBondContact O-CB 3.44Å; V99-R103 VanDerWaalsContact O-CG 3.26Å; V99-R103 WeakPolarHBondContact O-CG 3.34Å; V99-R103 PolarHBondContact O-N 2.92Å; V99-R103 VanDerWaalsContact O-N 3.09Å |
| 100 | A | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 101.9 Ų | 101.9 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -51.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | A96 A97 R102 R103 Q104 | A96-A100 WeakPolarHBondContact O-CB 3.2Å; A96-A100 PolarHBondContact O-N 3.47Å; A97-A100 PolarHBondContact O-N 3Å; A100-R102 VanDerWaalsContact C-N 3.33Å; A100-R102 PolarHBondContact O-N 3.08Å; A100-R103 WeakPolarHBondContact O-CB 3.4Å; A100-R103 PolarHBondContact O-N 3.5Å; A100-Q104 PolarHBondContact O-N 2.71Å |
| 101 | L | 98.5 | Very high | 97.5 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 177.9 | 178.9 | 62.1 | 0 | 0 | 0 | 112.4 | A97 R103 Q104 Q105 | A97-L101 WeakPolarHBondContact O-CB 3.28Å; A97-L101 PolarHBondContact O-N 3.44Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-R103 PolarHBondContact O-N 3.26Å; L101-Q104 PolarHBondContact O-N 3.21Å; L101-Q105 HydrophobicContact CD1-CG 4.43Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 3.5Å |
| 102 | R | 98.4 | Very high | 97.3 | Very high | 170 Ų | 170 | 96.8 Ų | 96.8 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -34.2 | 177 | -169.8 | -176.3 | -60.5 | -179.9 | 1.3 | 112.8 | Q98 A100 A106 | Q98-R102 PolarHBondContact O-N 2.71Å; A100-R102 VanDerWaalsContact C-N 3.33Å; A100-R102 PolarHBondContact O-N 3.08Å; R102-A106 WeakPolarHBondContact O-CB 3.39Å; R102-A106 PolarHBondContact O-N 3.09Å |
| 103 | R | 98.3 | Very high | 97.1 | Very high | 181 Ų | 181 | 98.2 Ų | 98.2 | 68% | 0.683 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.6 | -42.3 | 175.7 | -75.7 | 170.6 | 176.6 | -166.3 | -3 | 111.1 | V99 A100 L101 A106 Q107 | V99-R103 WeakPolarHBondContact O-CB 3.44Å; V99-R103 VanDerWaalsContact O-CG 3.26Å; V99-R103 WeakPolarHBondContact O-CG 3.34Å; V99-R103 PolarHBondContact O-N 2.92Å; V99-R103 VanDerWaalsContact O-N 3.09Å; A100-R103 WeakPolarHBondContact O-CB 3.4Å; A100-R103 PolarHBondContact O-N 3.5Å; L101-R103 VanDerWaalsContact C-N 3.33Å; L101-R103 PolarHBondContact O-N 3.26Å; R103-A106 PolarHBondContact O-N 3.23Å; R103-Q107 WeakPolarHBondContact O-CB 3.08Å; R103-Q107 PolarHBondContact O-N 2.99Å |
| 104 | Q | 98.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57 | -52.7 | 172.1 | 175.2 | 178 | -5.2 | 0 | 0 | 110.5 | A100 L101 A106 Q107 E108 | A100-Q104 PolarHBondContact O-N 2.71Å; L101-Q104 PolarHBondContact O-N 3.21Å; Q104-A106 VanDerWaalsContact C-N 3.3Å; Q104-A106 PolarHBondContact O-N 3.49Å; Q104-Q107 CarbonylContact O-C 3.55Å; Q104-Q107 WeakPolarHBondContact O-CA 3.43Å; Q104-Q107 WeakPolarHBondContact O-CB 3.46Å; Q104-Q107 PolarHBondContact O-N 2.97Å; Q104-E108 HydrophobicContact CG-CG 4.24Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.46Å; Q104-E108 PolarHBondContact NE2-OE1 3.47Å; Q104-E108 WeakPolarHBondContact O-CB 3.25Å; Q104-E108 WeakPolarHBondContact O-CG 3.46Å; Q104-E108 PolarHBondContact O-N 2.96Å |
| 105 | Q | 98.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 99.1 Ų | 99.1 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.2 | -38.6 | 177.6 | -72.7 | 173.6 | -30.3 | 0 | 0 | 113.3 | L101 E109 | L101-Q105 HydrophobicContact CD1-CG 4.43Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 3.5Å; Q105-E109 WeakPolarHBondContact O-CB 3.17Å; Q105-E109 PolarHBondContact O-N 2.86Å |
| 106 | A | 96.9 | Very high | 95.8 | Very high | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.4 | -31.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R102 R103 Q104 S110 | R102-A106 WeakPolarHBondContact O-CB 3.39Å; R102-A106 PolarHBondContact O-N 3.09Å; R103-A106 PolarHBondContact O-N 3.23Å; Q104-A106 VanDerWaalsContact C-N 3.3Å; Q104-A106 PolarHBondContact O-N 3.49Å; A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 VanDerWaalsContact O-N 3.09Å; A106-S110 PolarHBondContact O-OG 3.27Å |
| 107 | Q | 97 | Very high | 95.1 | Very high | 108 Ų | 108 | 105.6 Ų | 105.6 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.4 | -49.9 | 173.7 | 178 | 174.7 | -15.6 | 0 | 0 | 110.4 | R103 Q104 E109 S110 E111 | R103-Q107 WeakPolarHBondContact O-CB 3.08Å; R103-Q107 PolarHBondContact O-N 2.99Å; Q104-Q107 CarbonylContact O-C 3.55Å; Q104-Q107 WeakPolarHBondContact O-CA 3.43Å; Q104-Q107 WeakPolarHBondContact O-CB 3.46Å; Q104-Q107 PolarHBondContact O-N 2.97Å; Q107-E109 VanDerWaalsContact C-N 3.29Å; Q107-E109 PolarHBondContact O-N 3.03Å; Q107-S110 WeakPolarHBondContact CA-OG 3.37Å; Q107-S110 CarbonylContact O-C 3.57Å; Q107-S110 WeakPolarHBondContact O-CA 3.46Å; Q107-S110 PolarHBondContact O-N 3.48Å; Q107-S110 PolarHBondContact O-OG 3.43Å; Q107-E111 HydrophobicContact CG-CG 4.36Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.47Å; Q107-E111 PolarHBondContact NE2-OE1 3.27Å; Q107-E111 WeakPolarHBondContact O-CG 3.46Å; Q107-E111 PolarHBondContact O-N 2.9Å |
| 108 | E | 95.6 | Very high | 94.2 | Very high | 92 Ų | 92 | 108.8 Ų | 108.8 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.1 | -40.4 | 173.8 | -70.1 | 166.5 | 171.2 | 0 | 0 | 111.6 | Q104 A112 | Q104-E108 HydrophobicContact CG-CG 4.24Å; Q104-E108 WeakPolarHBondContact CG-OE1 3.46Å; Q104-E108 PolarHBondContact NE2-OE1 3.47Å; Q104-E108 WeakPolarHBondContact O-CB 3.25Å; Q104-E108 WeakPolarHBondContact O-CG 3.46Å; Q104-E108 PolarHBondContact O-N 2.96Å; E108-A112 WeakPolarHBondContact O-CB 3.44Å; E108-A112 PolarHBondContact O-N 3.39Å |
| 109 | E | 95.4 | Very high | 92.7 | Very high | 107 Ų | 107 | 113.4 Ų | 113.4 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 173.1 | -163.3 | -157.1 | 126.2 | 0 | 0 | 112.4 | Q105 Q107 R113 | Q105-E109 WeakPolarHBondContact O-CB 3.17Å; Q105-E109 PolarHBondContact O-N 2.86Å; Q107-E109 VanDerWaalsContact C-N 3.29Å; Q107-E109 PolarHBondContact O-N 3.03Å; E109-R113 VanDerWaalsContact O-CB 3.29Å; E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 3.46Å; E109-R113 VanDerWaalsContact O-N 3.08Å; E109-R113 IonicContact OE1-CZ 3.19Å; E109-R113 IonicContact OE1-NH1 2.75Å; E109-R113 PolarHBondContact OE1-NH1 2.86Å; E109-R113 IonicContact OE1-NH2 2.63Å; E109-R113 PolarHBondContact OE1-NH2 2.71Å |
| 110 | S | 95.6 | Very high | 91.1 | Very high | 59 Ų | 59 | 114.9 Ų | 114.9 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.9 | -42.6 | 177.2 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | A106 Q107 R113 E114 | A106-S110 PolarHBondContact O-N 3.4Å; A106-S110 VanDerWaalsContact O-N 3.09Å; A106-S110 PolarHBondContact O-OG 3.27Å; Q107-S110 WeakPolarHBondContact CA-OG 3.37Å; Q107-S110 CarbonylContact O-C 3.57Å; Q107-S110 WeakPolarHBondContact O-CA 3.46Å; Q107-S110 PolarHBondContact O-N 3.48Å; Q107-S110 PolarHBondContact O-OG 3.43Å; S110-R113 PolarHBondContact O-N 2.98Å; S110-E114 WeakPolarHBondContact O-CB 3.32Å; S110-E114 PolarHBondContact O-N 2.91Å |
| 111 | E | 95.2 | Very high | 89.2 | Confident | 89 Ų | 89 | 115.2 Ų | 115.2 | 42% | 0.416 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.6 | -41.6 | 176.7 | -70.2 | 171.7 | -172.5 | 0 | 0 | 110.8 | Q107 R113 E114 L115 | Q107-E111 HydrophobicContact CG-CG 4.36Å; Q107-E111 WeakPolarHBondContact CG-OE1 3.47Å; Q107-E111 PolarHBondContact NE2-OE1 3.27Å; Q107-E111 WeakPolarHBondContact O-CG 3.46Å; Q107-E111 PolarHBondContact O-N 2.9Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 3.34Å; E111-E114 PolarHBondContact O-N 3.04Å; E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 2.79Å |
| 112 | A | 93.9 | Very high | 87.1 | Confident | 58 Ų | 58 | 116.6 Ų | 116.6 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E108 Q116 | E108-A112 WeakPolarHBondContact O-CB 3.44Å; E108-A112 PolarHBondContact O-N 3.39Å; A112-Q116 WeakPolarHBondContact O-CB 3.18Å; A112-Q116 PolarHBondContact O-N 2.82Å |
| 113 | R | 92.4 | Very high | 84.8 | Confident | 144 Ų | 144 | 111.8 Ų | 111.8 | 54% | 0.543 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.8 | -36.4 | 175.6 | -178.2 | 175.1 | -71 | 116.5 | 0.8 | 112.3 | E109 S110 E111 F117 | E109-R113 VanDerWaalsContact O-CB 3.29Å; E109-R113 WeakPolarHBondContact O-CB 3.48Å; E109-R113 PolarHBondContact O-N 3.46Å; E109-R113 VanDerWaalsContact O-N 3.08Å; E109-R113 IonicContact OE1-CZ 3.19Å; E109-R113 IonicContact OE1-NH1 2.75Å; E109-R113 PolarHBondContact OE1-NH1 2.86Å; E109-R113 IonicContact OE1-NH2 2.63Å; E109-R113 PolarHBondContact OE1-NH2 2.71Å; S110-R113 PolarHBondContact O-N 2.98Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 3.34Å; R113-F117 PolarHBondContact O-N 2.75Å |
| 114 | E | 92.9 | Very high | 82.4 | Confident | 131 Ų | 131 | 108.1 Ų | 108.1 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -46.5 | 174.6 | -176.3 | 171 | -174.4 | 0 | 0 | 111.6 | S110 E111 Q116 F117 M118 | S110-E114 WeakPolarHBondContact O-CB 3.32Å; S110-E114 PolarHBondContact O-N 2.91Å; E111-E114 PolarHBondContact O-N 3.04Å; E114-Q116 VanDerWaalsContact C-N 3.29Å; E114-Q116 PolarHBondContact O-N 3.43Å; E114-F117 WeakPolarHBondContact O-CB 3.45Å; E114-F117 PolarHBondContact O-N 3.26Å; E114-F117 VanDerWaalsContact O-N 3.08Å; E114-M118 WeakPolarHBondContact O-CG 3.38Å; E114-M118 PolarHBondContact O-N 2.85Å |
| 115 | L | 88.6 | Confident | 80.3 | Confident | 118 Ų | 118 | 106.5 Ų | 106.5 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.7 | -40.7 | 172.7 | -72.3 | 171 | 0 | 0 | 0 | 111.6 | E111 F117 M118 Y119 | E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 VanDerWaalsContact O-CG 3.28Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 2.79Å; L115-F117 VanDerWaalsContact C-N 3.35Å; L115-F117 PolarHBondContact O-N 3.08Å; L115-M118 PolarHBondContact O-N 3.29Å; L115-Y119 WeakPolarHBondContact O-CB 3.45Å; L115-Y119 PolarHBondContact O-N 2.97Å |
| 116 | Q | 85.6 | Confident | 78.2 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.8 | -42.5 | 173.6 | -174.1 | 175.4 | 20.7 | 0 | 0 | 111.9 | A112 E114 T120 | A112-Q116 WeakPolarHBondContact O-CB 3.18Å; A112-Q116 PolarHBondContact O-N 2.82Å; E114-Q116 VanDerWaalsContact C-N 3.29Å; E114-Q116 PolarHBondContact O-N 3.43Å; Q116-T120 VanDerWaalsContact O-CB 3.28Å; Q116-T120 WeakPolarHBondContact O-CB 3.41Å; Q116-T120 PolarHBondContact O-N 2.96Å; Q116-T120 PolarHBondContact O-OG1 2.63Å |
| 117 | F | 83.1 | Confident | 75.9 | Confident | 168 Ų | 168 | 114.8 Ų | 114.8 | 74% | 0.737 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63 | -46.3 | 176.5 | -173.6 | -101.8 | 0 | 0 | 0 | 111.6 | R113 E114 L115 G121 | R113-F117 PolarHBondContact O-N 2.75Å; E114-F117 WeakPolarHBondContact O-CB 3.45Å; E114-F117 PolarHBondContact O-N 3.26Å; E114-F117 VanDerWaalsContact O-N 3.08Å; L115-F117 VanDerWaalsContact C-N 3.35Å; L115-F117 PolarHBondContact O-N 3.08Å; F117-G121 PolarHBondContact O-N 2.9Å |
| 118 | M | 78.5 | Confident | 74 | Confident | 132 Ų | 132 | 113.5 Ų | 113.5 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.1 | -46.3 | 178.3 | -69.1 | -65.3 | -72.1 | 0 | 0 | 112.6 | E114 L115 G121 | E114-M118 WeakPolarHBondContact O-CG 3.38Å; E114-M118 PolarHBondContact O-N 2.85Å; L115-M118 PolarHBondContact O-N 3.29Å; M118-G121 PolarHBondContact O-N 2.88Å |
| 119 | Y | 67.5 | Low | 71.5 | Confident | 212 Ų | 212 | 116.6 Ų | 116.6 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.9 | -22.8 | -177.1 | -124.2 | -90.7 | 0 | 0 | 0 | 114 | L115 G121 | L115-Y119 WeakPolarHBondContact O-CB 3.45Å; L115-Y119 PolarHBondContact O-N 2.97Å; Y119-G121 VanDerWaalsContact C-N 3.29Å |
| 120 | T | 65.3 | Low | 69.2 | Low | 101 Ų | 101 | 116.8 Ų | 116.8 | 62% | 0.62 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.8 | -11.8 | 176.3 | -48.6 | 0 | 0 | 0 | 0 | 112.1 | Q116 S122 | Q116-T120 VanDerWaalsContact O-CB 3.28Å; Q116-T120 WeakPolarHBondContact O-CB 3.41Å; Q116-T120 PolarHBondContact O-N 2.96Å; Q116-T120 PolarHBondContact O-OG1 2.63Å; T120-S122 PolarHBondContact O-N 3.38Å |
| 121 | G | 58 | Low | 66.7 | Low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -14.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | F117 M118 Y119 | F117-G121 PolarHBondContact O-N 2.9Å; M118-G121 PolarHBondContact O-N 2.88Å; Y119-G121 VanDerWaalsContact C-N 3.29Å |
| 122 | S | 54.7 | Low | 64.1 | Low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 19.4 | -169.6 | -55.4 | 0 | 0 | 0 | 0 | 115.2 | T120 | T120-S122 PolarHBondContact O-N 3.38Š|
| 123 | G | 50.3 | Low | 61.5 | Low | 70 Ų | 70 | 126.8 Ų | 126.8 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -142.1 | 37.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 124 | A | 48.4 | Very low | 58.7 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -118 | 31.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 125 | G | 54.1 | Low | 56 | Low | 69 Ų | 69 | 124.3 Ų | 124.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -98.3 | 125.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 126 | E | 54 | Low | 53.7 | Low | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 37.1 | 91.3 | 163 | -58.9 | -169 | 121.9 | 0 | 0 | 118.9 | ||
| 127 | T | 47 | Very low | 51.1 | Low | 149 Ų | 149 | 133 Ų | 133 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | -175.1 | 112.4 | 117.6 | 20.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 128 | G | 57.8 | Low | 49 | Very low | 81 Ų | 81 | 129 Ų | 129 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -93.3 | 107 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 129 | L | 44 | Very low | 47.1 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -144.4 | 114.1 | 159.5 | -93.3 | -178.2 | 0 | 0 | 0 | 112.3 | ||||
| 130 | T | 45.2 | Very low | 45.8 | Very low | 110 Ų | 110 | 126 Ų | 126 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | 26.1 | 112.4 | 144 | 58.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 131 | M | 43.1 | Very low | 44.3 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -149.4 | 128.9 | 110.5 | -86.6 | -48.6 | 160.8 | 0 | 0 | 110.5 | |||||
| 132 | A | 42 | Very low | 43.3 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -143 | 95.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 133 | S | 37.8 | Very low | 42.6 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | trans | 175.8 | 133.5 | 162.6 | -81.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 134 | G | 35.6 | Very low | 42 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | S | Bend | cis | -165.3 | 149.2 | -11.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||
| 135 | V | 36.2 | Very low | 41.1 | Very low | 150 Ų | 150 | 142 Ų | 142 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | -144.1 | 142.5 | 66.2 | 163.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 136 | Q | 39 | Very low | 40.5 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -74.9 | 145.3 | 177.6 | -64.2 | 177.2 | -12.6 | 0 | 0 | 112.5 | ||||
| 137 | R | 31.2 | Very low | 39.4 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -112.6 | 120.4 | 146.8 | -172.8 | 168.7 | -177.5 | 133.4 | 1.9 | 108.1 | V139 | R137-V139 PolarHBondContact O-N 3.36Š| ||
| 138 | S | 38.4 | Very low | 38.8 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 60% | 0.601 | 81% | 0.812 | S | S | * | * | trans | -61.3 | 132.1 | -174 | 163.2 | 0 | 0 | 0 | 0 | 112.8 | N140 | S138-N140 PolarHBondContact OG-OD1 2.93Š| ||
| 139 | V | 40 | Very low | 37.7 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -132.3 | 132.8 | 144.6 | 179.6 | 0 | 0 | 0 | 0 | 106 | R137 | R137-V139 PolarHBondContact O-N 3.36Š| ||
| 140 | N | 39.3 | Very low | 37.1 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 118.4 | -174.1 | -64.5 | -13.4 | 0 | 0 | 0 | 111.8 | S138 | S138-N140 PolarHBondContact OG-OD1 2.93Š| ||
| 141 | T | 33.7 | Very low | 36.6 | Very low | 136 Ų | 136 | 148 Ų | 148 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | trans | -146 | 127.2 | 147.6 | -36 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 142 | V | 37.6 | Very low | 36.1 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 146.4 | 172.8 | 173.4 | 0 | 0 | 0 | 0 | 109 | ||
| 143 | P | 40.2 | Very low | 36 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71 | 163 | -171.6 | -19.3 | 33.6 | 0 | 0 | 0 | 114.7 | ||
| 144 | R | 36.6 | Very low | 36 | Very low | 244 Ų | 244 | 145.5 Ų | 145.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58 | 137.8 | 162 | -82.4 | -177.8 | 170.3 | -179.2 | -4.1 | 110.4 | ||
| 145 | I | 30.6 | Very low | 36.1 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -98 | 143.4 | 146.4 | -65.2 | 175.1 | 0 | 0 | 0 | 106.7 | ||
| 146 | S | 41 | Very low | 36.3 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -124.9 | 108.3 | 176 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 147 | S | 31.9 | Very low | 36.3 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | -163 | 132.3 | 170 | -157.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 148 | Y | 32.6 | Very low | 36.7 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | 57.5 | 158 | 159.4 | 88.2 | -91.7 | 0 | 0 | 0 | 121.9 | ||||
| 149 | D | 35.6 | Very low | 36.7 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -84.8 | 166.5 | -168.9 | -46 | -105.5 | 0 | 0 | 0 | 114.3 | ||||
| 150 | V | 32.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 149 Ų | 149 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | 178 | 129.1 | 123.1 | 146.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 151 | F | 34.1 | Very low | 37.1 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | 14.8 | 134.4 | 159.9 | -67.4 | -94.5 | 0 | 0 | 0 | 122.2 | ||||
| 152 | G | 32.2 | Very low | 37.4 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -171.5 | 72.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 153 | T | 39.5 | Very low | 37.2 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -82.7 | 136.5 | 174.6 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 154 | D | 37.8 | Very low | 37 | Very low | 160 Ų | 160 | 154.2 Ų | 154.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -157.1 | 161.4 | 136.1 | -142 | -89.3 | 0 | 0 | 0 | 110.2 | ||||
| 155 | D | 39 | Very low | 36.9 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -102.6 | 141.7 | -164.1 | -85.1 | -106.6 | 0 | 0 | 0 | 113.2 | ||||
| 156 | Q | 39.8 | Very low | 37 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | -164.5 | 156.1 | 123 | -139.9 | 76.3 | 148.9 | 0 | 0 | 112.8 | |||||
| 157 | K | 39.3 | Very low | 36.7 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | -60.9 | 156.1 | 179.4 | -54.7 | 174.7 | 174.9 | -176.1 | 0 | 114.3 | ||||
| 158 | D | 39.3 | Very low | 36.7 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | -161.1 | 160.7 | 110 | -101.2 | -23.6 | 0 | 0 | 0 | 111.4 | |||||
| 159 | D | 39.1 | Very low | 36.7 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -80.4 | 169.3 | -160.8 | -74.3 | -102.1 | 0 | 0 | 0 | 117.5 | ||||
| 160 | D | 41.4 | Very low | 36.5 | Very low | 154 Ų | 154 | 150 Ų | 150 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -57.4 | 140.1 | -167.7 | -72.9 | -70.2 | 0 | 0 | 0 | 118 | ||||
| 161 | K | 45.1 | Very low | 36.7 | Very low | 211 Ų | 211 | 153.7 Ų | 153.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -152.5 | 108.2 | 139.8 | -130.1 | 164.9 | -170 | 166.2 | 0 | 114.7 | ||||
| 162 | L | 40.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 126.3 | -174.6 | -175.1 | 66.9 | 0 | 0 | 0 | 114.2 | ||||
| 163 | T | 34.2 | Very low | 37.4 | Very low | 91 Ų | 91 | 152.7 Ų | 152.7 | 56% | 0.558 | 80% | 0.796 | S | S | * | * | trans | 4 | 122.1 | 148 | -49.8 | 0 | 0 | 0 | 0 | 119.2 | Y165 | T163-Y165 HydrophobicContact CG2-CD1 4.19Å; T163-Y165 HydrophobicContact CG2-CE1 3.77Å | ||
| 164 | K | 35.7 | Very low | 37 | Very low | 174 Ų | 174 | 158.2 Ų | 158.2 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -153.5 | 98.9 | 143.1 | -162.4 | 165.5 | -172.3 | 172 | 0 | 113.8 | N166 | K164-N166 WeakPolarHBondContact CE-OD1 3.18Š| ||
| 165 | Y | 33.8 | Very low | 36.7 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -101.8 | 126.5 | 157.9 | 42.4 | -95.6 | 0 | 0 | 0 | 108.7 | T163 | T163-Y165 HydrophobicContact CG2-CD1 4.19Å; T163-Y165 HydrophobicContact CG2-CE1 3.77Å | ||
| 166 | N | 32.9 | Very low | 36.4 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | -94.5 | 112.5 | 177.7 | -62.7 | -77.5 | 0 | 0 | 0 | 109.7 | K164 | K164-N166 WeakPolarHBondContact CE-OD1 3.18Š| ||
| 167 | L | 35.4 | Very low | 36 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -85.7 | 128 | 141.8 | -90.6 | 72 | 0 | 0 | 0 | 106.9 | ||||
| 168 | N | 30.5 | Very low | 35.5 | Very low | 154 Ų | 154 | 154.1 Ų | 154.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -160.4 | 123.6 | 136.5 | -133 | 2.4 | 0 | 0 | 0 | 111.3 | ||||
| 169 | N | 33 | Very low | 35.6 | Very low | 177 Ų | 177 | 150.9 Ų | 150.9 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | trans | -141.7 | 89.3 | 158.5 | -156.7 | 41.1 | 0 | 0 | 0 | 105.9 | ||||
| 170 | G | 32.3 | Very low | 35.3 | Very low | 66 Ų | 66 | 152.2 Ų | 152.2 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | -127.4 | 119.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 171 | F | 36.3 | Very low | 34.7 | Very low | 205 Ų | 205 | 151.1 Ų | 151.1 | 90% | 0.899 | 78% | 0.777 | S | S | * | * | trans | -95.7 | 121.7 | -174.9 | 167.3 | -87 | 0 | 0 | 0 | 111.4 | ||||
| 172 | M | 48 | Very low | 34.1 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | -154.5 | 161.9 | 155.2 | -78.7 | -152.2 | 150.3 | 0 | 0 | 108.6 | ||||
| 173 | G | 32.9 | Very low | 34.1 | Very low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -159.5 | 168.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 174 | R | 31.6 | Very low | 33.8 | Very low | 239 Ų | 239 | 146.2 Ų | 146.2 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 144.4 | -174.9 | -61.3 | -174.2 | 168.2 | -115.8 | 1.1 | 113.5 | ||||
| 175 | T | 29.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 142.9 Ų | 142.9 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | cis | -156.9 | 171.5 | 16.5 | -24.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 176 | F | 32.7 | Very low | 33 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | 92.7 | 137.4 | 151 | -65.3 | -57.1 | 0 | 0 | 0 | 122.4 | ||||
| 177 | Y | 32.4 | Very low | 33.6 | Very low | 217 Ų | 217 | 138.3 Ų | 138.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | 60.5 | 140.1 | 158.5 | -61.6 | -62.4 | 0 | 0 | 0 | 123.4 | ||||
| 178 | A | 28.6 | Very low | 33.3 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -112.5 | -156.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 179 | P | 42.2 | Very low | 33.3 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | cis | -138.9 | -167.3 | -6.2 | 20.9 | 8 | 0 | 0 | 0 | 115.3 | ||||
| 180 | H | 31 | Very low | 33.4 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | 75.7 | 157.5 | 168.1 | -36.2 | -70.3 | 0 | 0 | 0 | 116.5 | ||||
| 181 | T | 30.1 | Very low | 33.2 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | -135.6 | 139.7 | 1.7 | 41.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 182 | A | 32.2 | Very low | 32.7 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | 79.2 | 165.2 | 82.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 183 | P | 39.9 | Very low | 31.9 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | -135 | -152 | -84.1 | 40.3 | -21.7 | 0 | 0 | 0 | 114.7 | |||||
| 184 | L | 28.5 | Very low | 31.7 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | 85.5 | 148.1 | 172.2 | -49 | 172.1 | 0 | 0 | 0 | 116.4 | ||||
| 185 | S | 26.2 | Very low | 32.1 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | cis | -163.7 | 156.9 | -20.4 | -103.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 186 | S | 26.9 | Very low | 32 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -104.6 | -172.2 | 159.6 | -49 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 187 | P | 44.2 | Very low | 32 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -147.9 | -169.2 | 11.4 | 45.7 | -24.9 | 0 | 0 | 0 | 117.1 | ||||
| 188 | L | 30.9 | Very low | 32 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | 60 | 135.2 | 143.3 | -148.9 | 71.1 | 0 | 0 | 0 | 120.1 | ||||
| 189 | G | 29 | Very low | 32.3 | Very low | 59 Ų | 59 | 129.4 Ų | 129.4 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | cis | 155.4 | -175.8 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 190 | K | 34.8 | Very low | 31.5 | Very low | 180 Ų | 180 | 132.7 Ų | 132.7 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 65 | 121.7 | 154.3 | 62.8 | 165.2 | 177.8 | 174.6 | 0 | 122.9 | ||||
| 191 | N | 29.5 | Very low | 31.5 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | 127 | 138.3 | 126.4 | -90.1 | 35.8 | 0 | 0 | 0 | 122.6 | |||||
| 192 | D | 26.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | trans | 67.7 | 107.3 | 144.9 | -65.2 | -50.2 | 0 | 0 | 0 | 126.1 | ||||
| 193 | T | 29.2 | Very low | 31.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | 71.8 | 147.6 | 118.4 | -51.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 194 | S | 29 | Very low | 31 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | -87.6 | 168.4 | -169 | -165.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 195 | P | 41.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | -153.5 | 143.4 | 98.5 | 38.5 | -19.7 | 0 | 0 | 0 | 119.7 | |||||
| 196 | N | 27.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | 54.2 | 122.5 | 129.3 | -163.1 | 4.2 | 0 | 0 | 0 | 123.7 | |||||
| 197 | Q | 31.8 | Very low | 31.5 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | -153.8 | 162 | 127.7 | -114.7 | 177 | 46.7 | 0 | 0 | 113.1 | |||||
| 198 | E | 33.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | -91.7 | -179.2 | -164.6 | -45.6 | -179.9 | 99 | 0 | 0 | 113.9 | ||||
| 199 | K | 33.8 | Very low | 30.7 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | cis | -159.5 | -167.4 | 14.1 | -141.2 | 147.5 | -162.3 | 155.1 | 0 | 107.6 | ||||
| 200 | K | 26.3 | Very low | 30.8 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 70% | 0.7 | 74% | 0.737 | S | S | * | * | cis | -163.3 | 128.3 | 8.5 | 178.8 | -168.2 | 166.3 | -170.9 | 0 | 107.7 | ||||
| 201 | Q | 30.9 | Very low | 30.7 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | 49.1 | 116.5 | 99.4 | -126.2 | 179.5 | -5.4 | 0 | 0 | 116.4 | |||||
| 202 | T | 26.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | 165.2 | 159.8 | 90.3 | 34.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 203 | V | 32.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -173.1 | 138.1 | -19.6 | 121.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 204 | F | 31.1 | Very low | 30.7 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | 58.8 | 166.3 | 162.3 | -76.3 | -124 | 0 | 0 | 0 | 118.2 | ||||
| 205 | D | 31.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | cis | -153.4 | 167 | 3.3 | -147.5 | -24.7 | 0 | 0 | 0 | 112.6 | ||||
| 206 | K | 33.6 | Very low | 30.1 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 62.2 | 157.3 | 160.8 | -82.6 | -173.3 | 166.7 | -134.3 | 0 | 120.1 | ||||
| 207 | E | 27.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -139.8 | 161.9 | -2.1 | -169.5 | 152.7 | 84.2 | 0 | 0 | 112 | ||||
| 208 | S | 30.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -77.4 | 157.4 | -174.7 | -171.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 209 | G | 28.5 | Very low | 30 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 176.7 | 54.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 210 | S | 31.4 | Very low | 29.7 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 133.8 | 178.2 | -51.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 211 | Q | 32.5 | Very low | 29.8 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | -174.2 | 135.1 | 127.1 | -104.8 | 151.2 | 105.9 | 0 | 0 | 116.9 | |||||
| 212 | T | 26.8 | Very low | 29.8 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 19.8 | 135.7 | 145.4 | 53.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 213 | A | 29.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -70.8 | 157 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 214 | A | 27.4 | Very low | 29.8 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -152.9 | 162 | 147.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 215 | F | 28.5 | Very low | 30.5 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -56.4 | 140.7 | 176 | -98.2 | -127.4 | 0 | 0 | 0 | 113.4 | ||||
| 216 | D | 29.3 | Very low | 30.7 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | -163.5 | 151 | 101.3 | -110.1 | -30.6 | 0 | 0 | 0 | 111.2 | |||||
| 217 | H | 30.5 | Very low | 30.5 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -142.4 | 107.2 | -171.5 | -137.7 | -57.7 | 0 | 0 | 0 | 112.1 | ||||
| 218 | L | 30.9 | Very low | 30.7 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -152.3 | 155.1 | 173.3 | -162.1 | 62.1 | 0 | 0 | 0 | 112.5 | ||||
| 219 | S | 29.3 | Very low | 30.5 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | 67.1 | 104.4 | 172.3 | 58 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 220 | D | 27.7 | Very low | 30.7 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | 75.5 | 144.8 | 123.9 | -75.1 | -71.2 | 0 | 0 | 0 | 125 | |||||
| 221 | H | 29.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 66.5 | 106.2 | 151.9 | -116.1 | -100.1 | 0 | 0 | 0 | 120.1 | ||||
| 222 | T | 29.9 | Very low | 30.8 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | 172.2 | 134.6 | 106 | 33.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 223 | E | 27.3 | Very low | 31.6 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 42.7 | 151.1 | 138.1 | -59.7 | -169.8 | 83.6 | 0 | 0 | 126.5 | ||||
| 224 | S | 33.2 | Very low | 32.2 | Very low | 83 Ų | 83 | 145 Ų | 145 | 58% | 0.58 | 80% | 0.795 | S | S | * | * | trans | 72.5 | 160.9 | 166.9 | -75.4 | 0 | 0 | 0 | 0 | 117.2 | R226 | S224-R226 PolarHBondContact OG-NH1 3.48Š| ||
| 225 | P | 44.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -92.3 | 165.4 | -0.1 | 34.6 | -25.4 | 0 | 0 | 0 | 113.2 | ||||
| 226 | R | 34.8 | Very low | 33.3 | Very low | 221 Ų | 221 | 139.6 Ų | 139.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | cis | 67.7 | 144.4 | 47.6 | -75.5 | -173.5 | 175.5 | 86.8 | -5.5 | 114.3 | S224 | S224-R226 PolarHBondContact OG-NH1 3.48Š| ||
| 227 | S | 29.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -124.7 | 140.2 | -150.9 | 55.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 228 | L | 31.9 | Very low | 34.4 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -132.8 | 120.7 | 156.7 | -56.9 | 171 | 0 | 0 | 0 | 104.1 | ||||
| 229 | S | 27.2 | Very low | 35.1 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | cis | 68 | 104.2 | 47.6 | -152.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 230 | S | 32.5 | Very low | 35.4 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | 39.4 | 131.7 | 140.9 | 58.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 231 | S | 32.8 | Very low | 36.2 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | cis | -178.4 | 155.6 | 8 | 41.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 232 | D | 33.6 | Very low | 36.3 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -141.5 | 158.9 | 159.6 | -121 | -44 | 0 | 0 | 0 | 112.3 | ||||
| 233 | L | 44.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -126.5 | 106.5 | -177 | -71.9 | 172 | 0 | 0 | 0 | 109.5 | ||||
| 234 | E | 40.5 | Very low | 37 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -123.5 | 135.6 | 171.8 | -169 | 73.3 | 115.5 | 0 | 0 | 110.1 | ||||
| 235 | S | 42.2 | Very low | 37.2 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -113.5 | 91.1 | -174.9 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 236 | G | 36.8 | Very low | 37 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -109.1 | 109.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 237 | S | 42.4 | Very low | 36.8 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -119.4 | 92.1 | 173.4 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 238 | E | 41.8 | Very low | 37.5 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -136.8 | 156.6 | 171.9 | 62.3 | -163.2 | 103.7 | 0 | 0 | 111 | ||||
| 239 | S | 44.8 | Very low | 37.5 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -135.7 | 102.1 | -161.5 | 59 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 240 | E | 35.3 | Very low | 38.5 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -133.6 | 147.2 | 173.5 | -160.1 | 166.9 | -175.6 | 0 | 0 | 111.1 | ||||
| 241 | R | 44 | Very low | 38.4 | Very low | 242 Ų | 242 | 149.8 Ų | 149.8 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -117.8 | 110.2 | 177.5 | -70.5 | -173.4 | -176.3 | -177.9 | 2.4 | 110.3 | ||||
| 242 | P | 33.4 | Very low | 38.4 | Very low | 127 Ų | 127 | 152.8 Ų | 152.8 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -68.8 | 156 | 149.2 | -16.1 | 32.1 | 0 | 0 | 0 | 109.9 | ||||
| 243 | K | 39.5 | Very low | 38.8 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -130.6 | 159 | 179.7 | 171.3 | 154.6 | 172.8 | 176.8 | 0 | 109.8 | ||||
| 244 | D | 31.8 | Very low | 38.2 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | trans | 102.4 | 137.6 | 159.5 | -61.6 | -47 | 0 | 0 | 0 | 120.2 | ||||
| 245 | Y | 36.9 | Very low | 38.1 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 72.4 | 149.2 | 166.9 | -67.5 | -62.1 | 0 | 0 | 0 | 119.2 | ||||
| 246 | P | 40.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | -122.3 | 163.3 | -115.6 | 42.2 | -33.1 | 0 | 0 | 0 | 116.8 | |||||
| 247 | S | 31.2 | Very low | 38.6 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -61.3 | 138.8 | -173.1 | -38.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 248 | L | 44 | Very low | 38.9 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | -135.4 | 85.4 | 141.1 | -78.4 | -178.2 | 0 | 0 | 0 | 108.8 | ||||
| 249 | E | 32 | Very low | 39.6 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -126.2 | 125.3 | 177.8 | -94.6 | -64.3 | 162 | 0 | 0 | 110.2 | T251 | E249-T251 PolarHBondContact O-N 3.08Š| ||
| 250 | I | 47.8 | Very low | 41.2 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 86.7 | 174.7 | -60.3 | 176 | 0 | 0 | 0 | 106.7 | ||||
| 251 | T | 31.6 | Very low | 43.8 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | -104 | 121.7 | -178.1 | -38.9 | 0 | 0 | 0 | 0 | 111.5 | E249 | E249-T251 PolarHBondContact O-N 3.08Š| ||
| 252 | E | 32.6 | Very low | 46.1 | Very low | 171 Ų | 171 | 130.6 Ų | 130.6 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | trans | -54.3 | 147.8 | 168.9 | -84.4 | -77.3 | 106 | 0 | 0 | 111.8 | G254 | E252-G254 PolarHBondContact O-N 2.91Š| ||
| 253 | P | 41.1 | Very low | 48.8 | Very low | 104 Ų | 104 | 125 Ų | 125 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | trans | -73.8 | 96.6 | -167.4 | 29.2 | -35.3 | 0 | 0 | 0 | 113.3 | ||||
| 254 | G | 32.2 | Very low | 51.4 | Low | 67 Ų | 67 | 119.3 Ų | 119.3 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -57.8 | 149.3 | 163 | 0 | 0 | 0 | 0 | 0 | 112.3 | E252 A256 | E252-G254 PolarHBondContact O-N 2.91Å; G254-A256 PolarHBondContact O-N 3.04Å | ||
| 255 | C | 39.2 | Very low | 54.3 | Low | 140 Ų | 140 | 115.7 Ų | 115.7 | 95% | 0.946 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -69.9 | 100.7 | -172.8 | -169.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 256 | A | 37.6 | Very low | 57 | Low | 81 Ų | 81 | 105.5 Ų | 105.5 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | trans | -138.5 | 102.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | G254 K258 | G254-A256 PolarHBondContact O-N 3.04Å; A256-K258 PolarHBondContact O-N 3.44Å | ||
| 257 | S | 50.2 | Low | 59.5 | Low | 125 Ų | 125 | 102 Ų | 102 | 87% | 0.874 | 58% | 0.581 | S | S | * | * | trans | -75.3 | 66.9 | 177.2 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 258 | K | 49.6 | Very low | 62.5 | Low | 181 Ų | 181 | 103 Ų | 103 | 79% | 0.787 | 57% | 0.572 | S | S | * | * | trans | -74 | 138 | 149.4 | -70.9 | -175.7 | 176.1 | -178.3 | 0 | 107.2 | A256 R260 | A256-K258 PolarHBondContact O-N 3.44Å; K258-R260 PolarHBondContact O-N 3.48Å | ||
| 259 | D | 55.8 | Low | 64.8 | Low | 162 Ų | 162 | 98.2 Ų | 98.2 | 87% | 0.866 | 55% | 0.546 | S | S | * | . | trans | -50 | 115.4 | 166.7 | -79.9 | -67.7 | 0 | 0 | 0 | 109 | D261 | D259-D261 PolarHBondContact O-N 3.44Š| ||
| 260 | R | 78.5 | Confident | 67.7 | Low | 140 Ų | 140 | 92.7 Ų | 92.7 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | trans | -69.3 | 116.9 | 167.3 | -75.7 | -74.3 | 179.3 | 175 | -2.9 | 105.6 | K258 P262 E264 V265 | K258-R260 PolarHBondContact O-N 3.48Å; R260-P262 WeakPolarHBondContact O-CD 3.28Å; R260-E264 WeakPolarHBondContact CD-OE2 3.28Å; R260-E264 IonicContact CZ-OE2 2.6Å; R260-E264 IonicContact NE-OE2 3.27Å; R260-E264 VanDerWaalsContact NH1-CD 3.3Å; R260-E264 IonicContact NH1-OE1 2.71Å; R260-E264 PolarHBondContact NH1-OE1 3.11Å; R260-E264 IonicContact NH1-OE2 2.91Å; R260-E264 PolarHBondContact NH1-OE2 3.35Å; R260-V265 HydrophobicContact CB-CG2 3.63Å | ||
| 261 | D | 90 | Very high | 69.8 | Low | 64 Ų | 64 | 89 Ų | 89 | 34% | 0.342 | 51% | 0.507 | S | S | . | . | trans | -40.8 | 117.3 | 173.4 | 159.4 | 28.2 | 0 | 0 | 0 | 107.7 | D259 T263 E264 V265 R275 | D259-D261 PolarHBondContact O-N 3.44Å; D261-T263 CarbonylContact O-C 3.48Å; D261-T263 PolarHBondContact O-N 3.04Å; D261-T263 WeakPolarHBondContact OD1-CB 3.46Å; D261-T263 PolarHBondContact OD1-N 2.98Å; D261-T263 PolarHBondContact OD1-OG1 3.39Å; D261-T263 VanDerWaalsContact OD2-CB 3.32Å; D261-T263 WeakPolarHBondContact OD2-CB 3.35Å; D261-E264 HydrophobicContact CB-CB 4.11Å; D261-E264 WeakPolarHBondContact O-CA 3.44Å; D261-E264 VanDerWaalsContact O-CB 3.28Å; D261-E264 WeakPolarHBondContact O-CB 3.45Å; D261-E264 PolarHBondContact O-N 3.05Å; D261-E264 PolarHBondContact OD2-N 3.27Å; D261-V265 PolarHBondContact O-N 3.44Å; D261-R275 IonicContact OD2-CZ 3.04Å; D261-R275 IonicContact OD2-NH1 3.29Å; D261-R275 IonicContact OD2-NH2 2.73Å; D261-R275 PolarHBondContact OD2-NH2 2.95Å | ||
| 262 | P | 91.8 | Very high | 72.5 | Confident | 30 Ų | 30 | 92.8 Ų | 92.8 | 20% | 0.195 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -57.9 | -22.8 | -173.8 | 16.1 | -27.4 | 0 | 0 | 0 | 111.8 | R260 M266 V282 I289 | R260-P262 WeakPolarHBondContact O-CD 3.28Å; P262-M266 WeakPolarHBondContact O-CB 3.49Å; P262-M266 VanDerWaalsContact O-CG 3.26Å; P262-M266 WeakPolarHBondContact O-CG 3.47Å; P262-M266 PolarHBondContact O-N 3.19Å; P262-V282 HydrophobicContact CB-CG1 3.75Å; P262-V282 HydrophobicContact CB-CG2 4.38Å; P262-V282 HydrophobicContact CG-CG1 3.58Å; P262-I289 HydrophobicContact CB-CD1 4.09Å; P262-I289 HydrophobicContact CB-CG1 3.66Å |
| 263 | T | 91.9 | Very high | 75.3 | Confident | 10 Ų | 10 | 88 Ų | 88 | 6% | 0.061 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 168.6 | -36.2 | 0 | 0 | 0 | 0 | 113.4 | D261 V265 M266 T267 R275 E279 | D261-T263 CarbonylContact O-C 3.48Å; D261-T263 PolarHBondContact O-N 3.04Å; D261-T263 WeakPolarHBondContact OD1-CB 3.46Å; D261-T263 PolarHBondContact OD1-N 2.98Å; D261-T263 PolarHBondContact OD1-OG1 3.39Å; D261-T263 VanDerWaalsContact OD2-CB 3.32Å; D261-T263 WeakPolarHBondContact OD2-CB 3.35Å; T263-V265 PolarHBondContact O-N 2.79Å; T263-M266 PolarHBondContact O-N 3.01Å; T263-T267 WeakPolarHBondContact O-CB 3.42Å; T263-T267 PolarHBondContact O-N 3.44Å; T263-T267 PolarHBondContact O-OG1 2.84Å; T263-R275 HydrophobicContact CG2-CG 3.92Å; T263-R275 VanDerWaalsContact CG2-CZ 3.5Å; T263-E279 HydrophobicContact CG2-CB 4.34Å; T263-E279 HydrophobicContact CG2-CG 3.19Å |
| 264 | E | 93.3 | Very high | 77.8 | Confident | 57 Ų | 57 | 90.1 Ų | 90.1 | 27% | 0.266 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 174.4 | -160.4 | -150.5 | 163.3 | 0 | 0 | 110.6 | R260 D261 K268 | R260-E264 WeakPolarHBondContact CD-OE2 3.28Å; R260-E264 IonicContact CZ-OE2 2.6Å; R260-E264 IonicContact NE-OE2 3.27Å; R260-E264 VanDerWaalsContact NH1-CD 3.3Å; R260-E264 IonicContact NH1-OE1 2.71Å; R260-E264 PolarHBondContact NH1-OE1 3.11Å; R260-E264 IonicContact NH1-OE2 2.91Å; R260-E264 PolarHBondContact NH1-OE2 3.35Å; D261-E264 HydrophobicContact CB-CB 4.11Å; D261-E264 WeakPolarHBondContact O-CA 3.44Å; D261-E264 VanDerWaalsContact O-CB 3.28Å; D261-E264 WeakPolarHBondContact O-CB 3.45Å; D261-E264 PolarHBondContact O-N 3.05Å; D261-E264 PolarHBondContact OD2-N 3.27Å; E264-K268 WeakPolarHBondContact O-CG 3.43Å; E264-K268 PolarHBondContact O-N 3.17Å; E264-K268 WeakPolarHBondContact OE1-CE 3.35Å; E264-K268 IonicContact OE1-NZ 3.89Å; E264-K268 PolarHBondContact OE1-NZ 3.07Å |
| 265 | V | 93.5 | Very high | 80.8 | Confident | 37 Ų | 37 | 91.6 Ų | 91.6 | 22% | 0.224 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.2 | -51.2 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | R260 D261 T263 T267 K268 I269 I289 | R260-V265 HydrophobicContact CB-CG2 3.63Å; D261-V265 PolarHBondContact O-N 3.44Å; T263-V265 PolarHBondContact O-N 2.79Å; V265-T267 VanDerWaalsContact C-N 3.27Å; V265-T267 PolarHBondContact O-N 3.42Å; V265-K268 PolarHBondContact O-N 3.21Å; V265-K268 VanDerWaalsContact O-N 3.11Å; V265-I269 HydrophobicContact CG1-CD1 3.91Å; V265-I269 WeakPolarHBondContact O-CG1 3.3Å; V265-I269 PolarHBondContact O-N 3.19Å; V265-I269 VanDerWaalsContact O-N 3.08Å; V265-I289 HydrophobicContact CB-CD1 4.11Å; V265-I289 HydrophobicContact CG1-CD1 4.15Å; V265-I289 HydrophobicContact CG1-CG2 4.12Å; V265-I289 HydrophobicContact CG2-CD1 4.07Å |
| 266 | M | 92.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.4 | -36.5 | 177.2 | -72.8 | -66.9 | -72.4 | 0 | 0 | 112.5 | P262 T263 K268 I269 F270 L278 V282 I289 A292 I293 V296 | P262-M266 WeakPolarHBondContact O-CB 3.49Å; P262-M266 VanDerWaalsContact O-CG 3.26Å; P262-M266 WeakPolarHBondContact O-CG 3.47Å; P262-M266 PolarHBondContact O-N 3.19Å; T263-M266 PolarHBondContact O-N 3.01Å; M266-K268 VanDerWaalsContact C-N 3.31Å; M266-K268 PolarHBondContact O-N 2.95Å; M266-I269 PolarHBondContact O-N 3.11Å; M266-F270 HydrophobicContact CE-CD2 3.79Å; M266-F270 HydrophobicContact CE-CE2 3.61Å; M266-F270 PolarHBondContact O-N 3.2Å; M266-F270 HydrophobicContact SD-CD2 4.35Å; M266-F270 HydrophobicContact SD-CE2 4.14Å; M266-L278 HydrophobicContact CB-CB 4.19Å; M266-L278 HydrophobicContact CB-CD1 4.22Å; M266-L278 HydrophobicContact CB-CD2 4.35Å; M266-L278 HydrophobicContact CB-CG 4.49Å; M266-L278 HydrophobicContact CE-CD2 4.13Å; M266-V282 HydrophobicContact CB-CG2 4.36Å; M266-V282 HydrophobicContact CG-CG2 3.65Å; M266-I289 HydrophobicContact SD-CG2 4.35Å; M266-A292 HydrophobicContact CE-CB 3.79Å; M266-A292 WeakPolarHBondContact CE-O 3.19Å; M266-A292 HydrophobicContact CG-CB 4.32Å; M266-A292 HydrophobicContact SD-CB 3.82Å; M266-I293 HydrophobicContact CE-CG1 4.45Å; M266-I293 HydrophobicContact SD-CG1 3.71Å; M266-V296 HydrophobicContact CE-CB 4.35Å; M266-V296 HydrophobicContact CE-CG2 3.59Å |
| 267 | T | 93.9 | Very high | 86.1 | Confident | 46 Ų | 46 | 89.3 Ų | 89.3 | 28% | 0.282 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 177.8 | -54 | 0 | 0 | 0 | 0 | 111.6 | T263 V265 F270 | T263-T267 WeakPolarHBondContact O-CB 3.42Å; T263-T267 PolarHBondContact O-N 3.44Å; T263-T267 PolarHBondContact O-OG1 2.84Å; V265-T267 VanDerWaalsContact C-N 3.27Å; V265-T267 PolarHBondContact O-N 3.42Å; T267-F270 CarbonylContact O-C 3.58Å |
| 268 | K | 93.1 | Very high | 88.1 | Confident | 130 Ų | 130 | 83.4 Ų | 83.4 | 57% | 0.565 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -75.2 | -33.1 | 175.4 | -69.7 | 172.3 | -172.5 | 176.6 | 0 | 113 | E264 V265 M266 | E264-K268 WeakPolarHBondContact O-CG 3.43Å; E264-K268 PolarHBondContact O-N 3.17Å; E264-K268 WeakPolarHBondContact OE1-CE 3.35Å; E264-K268 IonicContact OE1-NZ 3.89Å; E264-K268 PolarHBondContact OE1-NZ 3.07Å; V265-K268 PolarHBondContact O-N 3.21Å; V265-K268 VanDerWaalsContact O-N 3.11Å; M266-K268 VanDerWaalsContact C-N 3.31Å; M266-K268 PolarHBondContact O-N 2.95Å |
| 269 | I | 93.2 | Very high | 90.2 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -74.7 | -36.4 | 177.2 | -63.5 | 171.2 | 0 | 0 | 0 | 110.9 | V265 M266 P271 I293 | V265-I269 HydrophobicContact CG1-CD1 3.91Å; V265-I269 WeakPolarHBondContact O-CG1 3.3Å; V265-I269 PolarHBondContact O-N 3.19Å; V265-I269 VanDerWaalsContact O-N 3.08Å; M266-I269 PolarHBondContact O-N 3.11Å; I269-P271 VanDerWaalsContact C-CD 3.46Å; I269-P271 WeakPolarHBondContact O-CD 3.41Å; I269-I293 HydrophobicContact CD1-CD1 3.8Å; I269-I293 HydrophobicContact CD1-CG1 4.29Å |
| 270 | F | 93.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 74.4 Ų | 74.4 | 17% | 0.171 | 37% | 0.369 | C | S | . | . | trans | -123.6 | 65.7 | -176.6 | -59.3 | -70.3 | 0 | 0 | 0 | 112.7 | M266 T267 H272 H273 L278 I293 V296 L297 | M266-F270 HydrophobicContact CE-CD2 3.79Å; M266-F270 HydrophobicContact CE-CE2 3.61Å; M266-F270 PolarHBondContact O-N 3.2Å; M266-F270 HydrophobicContact SD-CD2 4.35Å; M266-F270 HydrophobicContact SD-CE2 4.14Å; T267-F270 CarbonylContact O-C 3.58Å; F270-H272 PolarHBondContact O-N 2.89Å; F270-H273 HydrophobicContact CB-CB 3.95Å; F270-H273 PolarHBondContact O-N 2.89Å; F270-L278 HydrophobicContact CB-CD2 4.33Å; F270-L278 HydrophobicContact CD2-CD2 4.31Å; F270-I293 HydrophobicContact CE2-CG1 4.15Å; F270-I293 HydrophobicContact CZ-CG2 4.26Å; F270-V296 HydrophobicContact CD1-CG1 4.13Å; F270-V296 HydrophobicContact CD2-CG1 4.1Å; F270-V296 HydrophobicContact CE1-CG1 3.92Å; F270-V296 HydrophobicContact CE2-CB 4.07Å; F270-V296 HydrophobicContact CE2-CG1 3.9Å; F270-V296 HydrophobicContact CE2-CG2 4.44Å; F270-V296 HydrophobicContact CG-CG1 4.2Å; F270-V296 HydrophobicContact CZ-CB 4.16Å; F270-V296 HydrophobicContact CZ-CG1 3.79Å; F270-L297 HydrophobicContact CE1-CD2 4.14Å; F270-L297 HydrophobicContact CZ-CD2 4.31Å; F270-L297 HydrophobicContact CZ-CG 4.38Å | ||
| 271 | P | 91.6 | Very high | 92.8 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -13 | -176.1 | 27.4 | -36.7 | 0 | 0 | 0 | 114.6 | I269 | I269-P271 VanDerWaalsContact C-CD 3.46Å; I269-P271 WeakPolarHBondContact O-CD 3.41Å |
| 272 | H | 88.6 | Confident | 93 | Very high | 193 Ų | 193 | 66 Ų | 66 | 89% | 0.894 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.7 | 174.8 | -59.8 | -67.5 | 0 | 0 | 0 | 113.8 | F270 | F270-H272 PolarHBondContact O-N 2.89Š|
| 273 | H | 91.1 | Very high | 93.1 | Very high | 69 Ų | 69 | 73.1 Ų | 73.1 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -111.8 | 146.2 | -179.3 | -151.5 | 82.2 | 0 | 0 | 0 | 111 | F270 T277 L278 | F270-H273 HydrophobicContact CB-CB 3.95Å; F270-H273 PolarHBondContact O-N 2.89Å; H273-T277 WeakPolarHBondContact NE2-CB 3.42Å; H273-T277 VanDerWaalsContact NE2-CG2 3.26Å; H273-T277 WeakPolarHBondContact NE2-CG2 3.35Å; H273-L278 HydrophobicContact CB-CD1 4.43Å; H273-L278 HydrophobicContact CB-CD2 4.1Å; H273-L278 HydrophobicContact CB-CG 4.35Å |
| 274 | K | 94.1 | Very high | 93.1 | Very high | 150 Ų | 150 | 77.5 Ų | 77.5 | 65% | 0.652 | 39% | 0.39 | S | S | * | . | trans | -69.3 | 134.8 | -179 | -70.7 | -169.7 | 175.7 | -170.8 | 0 | 110.7 | D276 T277 L278 | K274-D276 VanDerWaalsContact C-N 3.29Å; K274-D276 PolarHBondContact O-N 3.29Å; K274-T277 PolarHBondContact O-N 3.18Å; K274-T277 VanDerWaalsContact O-N 3.08Å; K274-L278 PolarHBondContact O-N 2.92Å | ||
| 275 | R | 94.5 | Very high | 93 | Very high | 98 Ų | 98 | 75.7 Ų | 75.7 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.5 | -43 | -179.2 | -174.6 | 173.8 | 168.7 | 101.8 | 8.5 | 111.8 | D261 T263 T277 L278 E279 | D261-R275 IonicContact OD2-CZ 3.04Å; D261-R275 IonicContact OD2-NH1 3.29Å; D261-R275 IonicContact OD2-NH2 2.73Å; D261-R275 PolarHBondContact OD2-NH2 2.95Å; T263-R275 HydrophobicContact CG2-CG 3.92Å; T263-R275 VanDerWaalsContact CG2-CZ 3.5Å; R275-T277 PolarHBondContact O-N 3.32Å; R275-L278 CarbonylContact O-C 3.53Å; R275-L278 WeakPolarHBondContact O-CA 3.29Å; R275-L278 WeakPolarHBondContact O-CB 3.26Å; R275-L278 PolarHBondContact O-N 3.09Å; R275-E279 HydrophobicContact CG-CG 4.25Å; R275-E279 IonicContact CZ-OE1 3.75Å; R275-E279 VanDerWaalsContact CZ-OE1 3.29Å; R275-E279 IonicContact NE-OE1 3.85Å; R275-E279 PolarHBondContact NE-OE1 2.75Å; R275-E279 IonicContact NH2-OE1 2.83Å; R275-E279 PolarHBondContact NH2-OE1 3.04Å; R275-E279 WeakPolarHBondContact O-CG 3.24Å; R275-E279 PolarHBondContact O-N 3.31Å |
| 276 | D | 93.4 | Very high | 92.9 | Very high | 110 Ų | 110 | 83.4 Ų | 83.4 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -55.4 | -37.4 | 178.5 | -24.5 | -62.1 | 0 | 0 | 0 | 112.7 | K274 S280 | K274-D276 VanDerWaalsContact C-N 3.29Å; K274-D276 PolarHBondContact O-N 3.29Å; D276-S280 WeakPolarHBondContact O-CB 3.4Å; D276-S280 PolarHBondContact O-N 3.36Å |
| 277 | T | 93.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 84.9 Ų | 84.9 | 39% | 0.387 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75.7 | -36.2 | 178.5 | -41.6 | 0 | 0 | 0 | 0 | 111.3 | H273 K274 R275 S280 V281 | H273-T277 WeakPolarHBondContact NE2-CB 3.42Å; H273-T277 VanDerWaalsContact NE2-CG2 3.26Å; H273-T277 WeakPolarHBondContact NE2-CG2 3.35Å; K274-T277 PolarHBondContact O-N 3.18Å; K274-T277 VanDerWaalsContact O-N 3.08Å; R275-T277 PolarHBondContact O-N 3.32Å; T277-S280 PolarHBondContact O-N 3.09Å; T277-V281 WeakPolarHBondContact O-CG2 3.26Å; T277-V281 PolarHBondContact O-N 3.07Å |
| 278 | L | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 85.1 Ų | 85.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.3 | -41 | 172 | -58.3 | 177.6 | 0 | 0 | 0 | 111.5 | M266 F270 H273 K274 R275 V281 V282 V296 | M266-L278 HydrophobicContact CB-CB 4.19Å; M266-L278 HydrophobicContact CB-CD1 4.22Å; M266-L278 HydrophobicContact CB-CD2 4.35Å; M266-L278 HydrophobicContact CB-CG 4.49Å; M266-L278 HydrophobicContact CE-CD2 4.13Å; F270-L278 HydrophobicContact CB-CD2 4.33Å; F270-L278 HydrophobicContact CD2-CD2 4.31Å; H273-L278 HydrophobicContact CB-CD1 4.43Å; H273-L278 HydrophobicContact CB-CD2 4.1Å; H273-L278 HydrophobicContact CB-CG 4.35Å; K274-L278 PolarHBondContact O-N 2.92Å; R275-L278 CarbonylContact O-C 3.53Å; R275-L278 WeakPolarHBondContact O-CA 3.29Å; R275-L278 WeakPolarHBondContact O-CB 3.26Å; R275-L278 PolarHBondContact O-N 3.09Å; L278-V281 PolarHBondContact O-N 3.36Å; L278-V282 WeakPolarHBondContact O-CB 3.35Å; L278-V282 VanDerWaalsContact O-CG2 3.25Å; L278-V282 WeakPolarHBondContact O-CG2 3.27Å; L278-V282 PolarHBondContact O-N 2.85Å; L278-V296 HydrophobicContact CD2-CG2 4.07Å |
| 279 | E | 94 | Very high | 92.7 | Very high | 82 Ų | 82 | 81.4 Ų | 81.4 | 38% | 0.383 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.8 | -73.1 | -174.5 | -177.6 | 0 | 0 | 111.3 | T263 R275 V282 K283 | T263-E279 HydrophobicContact CG2-CB 4.34Å; T263-E279 HydrophobicContact CG2-CG 3.19Å; R275-E279 HydrophobicContact CG-CG 4.25Å; R275-E279 IonicContact CZ-OE1 3.75Å; R275-E279 VanDerWaalsContact CZ-OE1 3.29Å; R275-E279 IonicContact NE-OE1 3.85Å; R275-E279 PolarHBondContact NE-OE1 2.75Å; R275-E279 IonicContact NH2-OE1 2.83Å; R275-E279 PolarHBondContact NH2-OE1 3.04Å; R275-E279 WeakPolarHBondContact O-CG 3.24Å; R275-E279 PolarHBondContact O-N 3.31Å; E279-V282 PolarHBondContact O-N 3.05Å; E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 PolarHBondContact O-N 2.71Å |
| 280 | S | 94.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 82.1 Ų | 82.1 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.1 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | D276 T277 K283 T284 | D276-S280 WeakPolarHBondContact O-CB 3.4Å; D276-S280 PolarHBondContact O-N 3.36Å; T277-S280 PolarHBondContact O-N 3.09Å; S280-K283 PolarHBondContact O-N 3.37Å; S280-T284 PolarHBondContact O-N 3.49Å; S280-T284 PolarHBondContact O-OG1 3Å; S280-T284 VanDerWaalsContact O-OG1 3.09Å |
| 281 | V | 94.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 85.7 Ų | 85.7 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -48.4 | 176.8 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | T277 L278 K283 T284 C285 A292 L295 V296 | T277-V281 WeakPolarHBondContact O-CG2 3.26Å; T277-V281 PolarHBondContact O-N 3.07Å; L278-V281 PolarHBondContact O-N 3.36Å; V281-K283 VanDerWaalsContact C-N 3.26Å; V281-K283 PolarHBondContact O-N 3.32Å; V281-T284 WeakPolarHBondContact O-CB 3.32Å; V281-T284 PolarHBondContact O-N 2.98Å; V281-T284 VanDerWaalsContact O-N 3.15Å; V281-C285 WeakPolarHBondContact O-CB 3.24Å; V281-C285 PolarHBondContact O-N 2.92Å; V281-C285 PolarHBondContact O-SG 3.45Å; V281-C285 VanDerWaalsContact O-SG 3.36Å; V281-A292 HydrophobicContact CG1-CB 3.76Å; V281-A292 WeakPolarHBondContact CG1-O 3.45Å; V281-L295 HydrophobicContact CG1-CB 4.22Å; V281-L295 HydrophobicContact CG1-CD2 4.13Å; V281-L295 HydrophobicContact CG2-CD2 4.3Å; V281-V296 HydrophobicContact CB-CG2 4.49Å; V281-V296 HydrophobicContact CG1-CG2 4.15Å; V281-V296 HydrophobicContact CG2-CG2 4.22Å |
| 282 | V | 94.8 | Very high | 93 | Very high | 10 Ų | 10 | 81.1 Ų | 81.1 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 178.2 | 164 | 0 | 0 | 0 | 0 | 111.3 | P262 M266 L278 E279 C285 K286 G287 A292 | P262-V282 HydrophobicContact CB-CG1 3.75Å; P262-V282 HydrophobicContact CB-CG2 4.38Å; P262-V282 HydrophobicContact CG-CG1 3.58Å; M266-V282 HydrophobicContact CB-CG2 4.36Å; M266-V282 HydrophobicContact CG-CG2 3.65Å; L278-V282 WeakPolarHBondContact O-CB 3.35Å; L278-V282 VanDerWaalsContact O-CG2 3.25Å; L278-V282 WeakPolarHBondContact O-CG2 3.27Å; L278-V282 PolarHBondContact O-N 2.85Å; E279-V282 PolarHBondContact O-N 3.05Å; V282-C285 CarbonylContact O-C 3.57Å; V282-C285 PolarHBondContact O-N 3.39Å; V282-K286 PolarHBondContact O-N 3.22Å; V282-K286 VanDerWaalsContact O-N 3.09Å; V282-G287 PolarHBondContact O-N 3.36Å; V282-A292 HydrophobicContact CG2-CB 4.25Å |
| 283 | K | 93.6 | Very high | 93.2 | Very high | 181 Ų | 181 | 74.2 Ų | 74.2 | 79% | 0.787 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.7 | -42.9 | 175.6 | -172 | 174 | -176.5 | 175.9 | 0 | 112.1 | E279 S280 V281 C285 K286 | E279-K283 WeakPolarHBondContact O-CB 3.49Å; E279-K283 PolarHBondContact O-N 2.71Å; S280-K283 PolarHBondContact O-N 3.37Å; V281-K283 VanDerWaalsContact C-N 3.26Å; V281-K283 PolarHBondContact O-N 3.32Å; K283-C285 VanDerWaalsContact C-N 3.32Å; K283-C285 PolarHBondContact O-N 3.45Å; K283-K286 PolarHBondContact O-N 3.15Å |
| 284 | T | 91.8 | Very high | 93.3 | Very high | 101 Ų | 101 | 76.1 Ų | 76.1 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.8 | -42 | 171.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | S280 V281 K286 L295 | S280-T284 PolarHBondContact O-N 3.49Å; S280-T284 PolarHBondContact O-OG1 3Å; S280-T284 VanDerWaalsContact O-OG1 3.09Å; V281-T284 WeakPolarHBondContact O-CB 3.32Å; V281-T284 PolarHBondContact O-N 2.98Å; V281-T284 VanDerWaalsContact O-N 3.15Å; T284-K286 VanDerWaalsContact C-N 3.25Å; T284-K286 PolarHBondContact O-N 3.12Å; T284-L295 HydrophobicContact CG2-CD2 4.32Å |
| 285 | C | 91.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 13% | 0.128 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 5.7 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | V281 V282 K283 G287 D288 K291 A292 | V281-C285 WeakPolarHBondContact O-CB 3.24Å; V281-C285 PolarHBondContact O-N 2.92Å; V281-C285 PolarHBondContact O-SG 3.45Å; V281-C285 VanDerWaalsContact O-SG 3.36Å; V282-C285 CarbonylContact O-C 3.57Å; V282-C285 PolarHBondContact O-N 3.39Å; K283-C285 VanDerWaalsContact C-N 3.32Å; K283-C285 PolarHBondContact O-N 3.45Å; C285-G287 PolarHBondContact O-N 3.43Å; C285-D288 HydrophobicContact CB-CB 4.44Å; C285-D288 VanDerWaalsContact O-CB 3.25Å; C285-D288 WeakPolarHBondContact O-CB 3.39Å; C285-D288 PolarHBondContact O-N 3.1Å; C285-K291 HydrophobicContact CB-CB 4.16Å; C285-K291 VanDerWaalsContact SG-C 3.57Å; C285-A292 HydrophobicContact CB-CB 4.25Å |
| 286 | K | 91 | Very high | 93.1 | Very high | 199 Ų | 199 | 68.2 Ų | 68.2 | 87% | 0.865 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 32.2 | -178.9 | -54.8 | -176.9 | -179.9 | -178.8 | 0 | 114.2 | V282 K283 T284 | V282-K286 PolarHBondContact O-N 3.22Å; V282-K286 VanDerWaalsContact O-N 3.09Å; K283-K286 PolarHBondContact O-N 3.15Å; T284-K286 VanDerWaalsContact C-N 3.25Å; T284-K286 PolarHBondContact O-N 3.12Å |
| 287 | G | 88.7 | Confident | 93 | Very high | 31 Ų | 31 | 67.4 Ų | 67.4 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V282 C285 I289 | V282-G287 PolarHBondContact O-N 3.36Å; C285-G287 PolarHBondContact O-N 3.43Å; G287-I289 PolarHBondContact O-N 3.32Å; G287-I289 VanDerWaalsContact O-N 3.09Å |
| 288 | D | 93.3 | Very high | 92.7 | Very high | 52 Ų | 52 | 67.8 Ų | 67.8 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | trans | -70.8 | 103.3 | 174.5 | -172.3 | -34.8 | 0 | 0 | 0 | 110.9 | C285 V290 K291 A292 | C285-D288 HydrophobicContact CB-CB 4.44Å; C285-D288 VanDerWaalsContact O-CB 3.25Å; C285-D288 WeakPolarHBondContact O-CB 3.39Å; C285-D288 PolarHBondContact O-N 3.1Å; D288-V290 VanDerWaalsContact C-N 3.29Å; D288-V290 PolarHBondContact O-N 3.28Å; D288-V290 PolarHBondContact OD1-N 3.34Å; D288-K291 HydrophobicContact CB-CB 4.26Å; D288-K291 HydrophobicContact CB-CD 4.4Å; D288-K291 HydrophobicContact CB-CG 4.41Å; D288-K291 PolarHBondContact O-N 3.24Å; D288-K291 PolarHBondContact OD1-N 2.93Å; D288-K291 IonicContact OD2-NZ 3.93Å; D288-K291 PolarHBondContact OD2-NZ 3.24Å; D288-A292 WeakPolarHBondContact O-CB 3.29Å; D288-A292 PolarHBondContact O-N 3.16Å | ||
| 289 | I | 93.4 | Very high | 92 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -32.7 | -177.3 | -59.1 | 170.4 | 0 | 0 | 0 | 111.5 | P262 V265 M266 G287 A292 I293 | P262-I289 HydrophobicContact CB-CD1 4.09Å; P262-I289 HydrophobicContact CB-CG1 3.66Å; V265-I289 HydrophobicContact CB-CD1 4.11Å; V265-I289 HydrophobicContact CG1-CD1 4.15Å; V265-I289 HydrophobicContact CG1-CG2 4.12Å; V265-I289 HydrophobicContact CG2-CD1 4.07Å; M266-I289 HydrophobicContact SD-CG2 4.35Å; G287-I289 PolarHBondContact O-N 3.32Å; G287-I289 VanDerWaalsContact O-N 3.09Å; I289-A292 PolarHBondContact O-N 3.14Å; I289-I293 HydrophobicContact CG2-CD1 3.97Å; I289-I293 HydrophobicContact CG2-CG1 4.47Å; I289-I293 WeakPolarHBondContact O-CD1 3.41Å; I289-I293 VanDerWaalsContact O-CG1 3.25Å; I289-I293 WeakPolarHBondContact O-CG1 3.39Å; I289-I293 PolarHBondContact O-N 3.18Å |
| 290 | V | 95.1 | Very high | 91 | Very high | 92 Ų | 92 | 73.9 Ų | 73.9 | 56% | 0.558 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.2 | -48.5 | -178.1 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | D288 A292 I293 E294 | D288-V290 VanDerWaalsContact C-N 3.29Å; D288-V290 PolarHBondContact O-N 3.28Å; D288-V290 PolarHBondContact OD1-N 3.34Å; V290-A292 VanDerWaalsContact C-N 3.25Å; V290-A292 PolarHBondContact O-N 3.5Å; V290-I293 PolarHBondContact O-N 3.21Å; V290-E294 WeakPolarHBondContact O-CG 3.43Å; V290-E294 PolarHBondContact O-N 3.5Å |
| 291 | K | 92.7 | Very high | 89.4 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 174.6 | -66.1 | -176.2 | -176.5 | 63.3 | 0 | 112.3 | C285 D288 E294 L295 | C285-K291 HydrophobicContact CB-CB 4.16Å; C285-K291 VanDerWaalsContact SG-C 3.57Å; D288-K291 HydrophobicContact CB-CB 4.26Å; D288-K291 HydrophobicContact CB-CD 4.4Å; D288-K291 HydrophobicContact CB-CG 4.41Å; D288-K291 PolarHBondContact O-N 3.24Å; D288-K291 PolarHBondContact OD1-N 2.93Å; D288-K291 IonicContact OD2-NZ 3.93Å; D288-K291 PolarHBondContact OD2-NZ 3.24Å; K291-E294 PolarHBondContact O-N 3.31Å; K291-L295 WeakPolarHBondContact O-CB 3.48Å; K291-L295 PolarHBondContact O-N 3.23Å |
| 292 | A | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | M266 V281 V282 C285 D288 I289 V290 V296 | M266-A292 HydrophobicContact CE-CB 3.79Å; M266-A292 WeakPolarHBondContact CE-O 3.19Å; M266-A292 HydrophobicContact CG-CB 4.32Å; M266-A292 HydrophobicContact SD-CB 3.82Å; V281-A292 HydrophobicContact CG1-CB 3.76Å; V281-A292 WeakPolarHBondContact CG1-O 3.45Å; V282-A292 HydrophobicContact CG2-CB 4.25Å; C285-A292 HydrophobicContact CB-CB 4.25Å; D288-A292 WeakPolarHBondContact O-CB 3.29Å; D288-A292 PolarHBondContact O-N 3.16Å; I289-A292 PolarHBondContact O-N 3.14Å; V290-A292 VanDerWaalsContact C-N 3.25Å; V290-A292 PolarHBondContact O-N 3.5Å; A292-V296 WeakPolarHBondContact O-CG2 3.42Å; A292-V296 PolarHBondContact O-N 3.49Å |
| 293 | I | 94.1 | Very high | 85.6 | Confident | 47 Ų | 47 | 89.4 Ų | 89.4 | 24% | 0.241 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 173.7 | -69.3 | 162 | 0 | 0 | 0 | 110.5 | M266 I269 F270 I289 V290 L295 V296 L297 | M266-I293 HydrophobicContact CE-CG1 4.45Å; M266-I293 HydrophobicContact SD-CG1 3.71Å; I269-I293 HydrophobicContact CD1-CD1 3.8Å; I269-I293 HydrophobicContact CD1-CG1 4.29Å; F270-I293 HydrophobicContact CE2-CG1 4.15Å; F270-I293 HydrophobicContact CZ-CG2 4.26Å; I289-I293 HydrophobicContact CG2-CD1 3.97Å; I289-I293 HydrophobicContact CG2-CG1 4.47Å; I289-I293 WeakPolarHBondContact O-CD1 3.41Å; I289-I293 VanDerWaalsContact O-CG1 3.25Å; I289-I293 WeakPolarHBondContact O-CG1 3.39Å; I289-I293 PolarHBondContact O-N 3.18Å; V290-I293 PolarHBondContact O-N 3.21Å; I293-L295 VanDerWaalsContact C-N 3.33Å; I293-L295 PolarHBondContact O-N 3.06Å; I293-V296 PolarHBondContact O-N 2.81Å; I293-L297 HydrophobicContact CG2-CD1 3.82Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CG 3.15Å; I293-L297 PolarHBondContact O-N 2.9Å |
| 294 | E | 93.8 | Very high | 83.1 | Confident | 110 Ų | 110 | 85.7 Ų | 85.7 | 51% | 0.514 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.8 | -45 | 178.6 | -70.7 | 171.4 | 167.1 | 0 | 0 | 111.8 | V290 K291 L297 S298 | V290-E294 WeakPolarHBondContact O-CG 3.43Å; V290-E294 PolarHBondContact O-N 3.5Å; K291-E294 PolarHBondContact O-N 3.31Å; E294-L297 PolarHBondContact O-N 3.32Å; E294-S298 WeakPolarHBondContact O-CB 3.42Å; E294-S298 PolarHBondContact O-N 3.5Å; E294-S298 PolarHBondContact O-OG 3.04Å |
| 295 | L | 92.2 | Very high | 80.7 | Confident | 77 Ų | 77 | 87.5 Ų | 87.5 | 40% | 0.403 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 179.1 | -170.4 | 61.7 | 0 | 0 | 0 | 112.4 | V281 T284 K291 I293 S298 S299 | V281-L295 HydrophobicContact CG1-CB 4.22Å; V281-L295 HydrophobicContact CG1-CD2 4.13Å; V281-L295 HydrophobicContact CG2-CD2 4.3Å; T284-L295 HydrophobicContact CG2-CD2 4.32Å; K291-L295 WeakPolarHBondContact O-CB 3.48Å; K291-L295 PolarHBondContact O-N 3.23Å; I293-L295 VanDerWaalsContact C-N 3.33Å; I293-L295 PolarHBondContact O-N 3.06Å; L295-S298 PolarHBondContact O-N 2.82Å; L295-S299 WeakPolarHBondContact O-CB 3.05Å; L295-S299 PolarHBondContact O-N 3.07Å; L295-S299 PolarHBondContact O-OG 3.34Å |
| 296 | V | 91.9 | Very high | 78.3 | Confident | 5 Ų | 5 | 91.4 Ų | 91.4 | 3% | 0.03 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 174.9 | 168.5 | 0 | 0 | 0 | 0 | 111 | M266 F270 L278 V281 A292 I293 S299 K300 | M266-V296 HydrophobicContact CE-CB 4.35Å; M266-V296 HydrophobicContact CE-CG2 3.59Å; F270-V296 HydrophobicContact CD1-CG1 4.13Å; F270-V296 HydrophobicContact CD2-CG1 4.1Å; F270-V296 HydrophobicContact CE1-CG1 3.92Å; F270-V296 HydrophobicContact CE2-CB 4.07Å; F270-V296 HydrophobicContact CE2-CG1 3.9Å; F270-V296 HydrophobicContact CE2-CG2 4.44Å; F270-V296 HydrophobicContact CG-CG1 4.2Å; F270-V296 HydrophobicContact CZ-CB 4.16Å; F270-V296 HydrophobicContact CZ-CG1 3.79Å; L278-V296 HydrophobicContact CD2-CG2 4.07Å; V281-V296 HydrophobicContact CB-CG2 4.49Å; V281-V296 HydrophobicContact CG1-CG2 4.15Å; V281-V296 HydrophobicContact CG2-CG2 4.22Å; A292-V296 WeakPolarHBondContact O-CG2 3.42Å; A292-V296 PolarHBondContact O-N 3.49Å; I293-V296 PolarHBondContact O-N 2.81Å; V296-S299 PolarHBondContact O-N 3.16Å; V296-S299 PolarHBondContact O-OG 3.02Å; V296-K300 PolarHBondContact O-N 3.45Å |
| 297 | L | 90.7 | Very high | 75.9 | Confident | 92 Ų | 92 | 89.5 Ų | 89.5 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 178.9 | -66.3 | 172.8 | 0 | 0 | 0 | 111.2 | F270 I293 E294 S299 K300 E301 | F270-L297 HydrophobicContact CE1-CD2 4.14Å; F270-L297 HydrophobicContact CZ-CD2 4.31Å; F270-L297 HydrophobicContact CZ-CG 4.38Å; I293-L297 HydrophobicContact CG2-CD1 3.82Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CG 3.15Å; I293-L297 PolarHBondContact O-N 2.9Å; E294-L297 PolarHBondContact O-N 3.32Å; L297-S299 PolarHBondContact O-N 3.36Å; L297-K300 PolarHBondContact O-N 3.03Å; L297-E301 PolarHBondContact O-N 2.95Å |
| 298 | S | 87.2 | Confident | 73.6 | Confident | 72 Ų | 72 | 93.2 Ų | 93.2 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -18 | 175.9 | -52 | 0 | 0 | 0 | 0 | 113.9 | E294 L295 N302 | E294-S298 WeakPolarHBondContact O-CB 3.42Å; E294-S298 PolarHBondContact O-N 3.5Å; E294-S298 PolarHBondContact O-OG 3.04Å; L295-S298 PolarHBondContact O-N 2.82Å; S298-N302 PolarHBondContact O-ND2 3.15Å; S298-N302 PolarHBondContact O-OD1 3.23Å |
| 299 | S | 78.8 | Confident | 71 | Confident | 59 Ų | 59 | 97.6 Ų | 97.6 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -92 | -4 | 173.6 | 77.8 | 0 | 0 | 0 | 0 | 114.2 | L295 V296 L297 N302 | L295-S299 WeakPolarHBondContact O-CB 3.05Å; L295-S299 PolarHBondContact O-N 3.07Å; L295-S299 PolarHBondContact O-OG 3.34Å; V296-S299 PolarHBondContact O-N 3.16Å; V296-S299 PolarHBondContact O-OG 3.02Å; L297-S299 PolarHBondContact O-N 3.36Å; S299-N302 WeakPolarHBondContact CA-OD1 3.24Å; S299-N302 PolarHBondContact O-OD1 2.98Å |
| 300 | K | 72.4 | Confident | 68.2 | Low | 150 Ų | 150 | 98.9 Ų | 98.9 | 65% | 0.652 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -108.4 | -31.2 | -179.4 | -170.8 | 172.2 | 179 | -179.4 | 0 | 112.7 | V296 L297 K303 C304 | V296-K300 PolarHBondContact O-N 3.45Å; L297-K300 PolarHBondContact O-N 3.03Å; K300-K303 WeakPolarHBondContact O-CA 3.08Å; K300-K303 VanDerWaalsContact O-CB 3.24Å; K300-K303 WeakPolarHBondContact O-CB 3.37Å; K300-K303 PolarHBondContact O-N 3.14Å; K300-C304 PolarHBondContact O-N 2.84Å |
| 301 | E | 61.1 | Low | 65.4 | Low | 147 Ų | 147 | 102.8 Ų | 102.8 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.1 | -46.6 | 178.5 | -165.6 | 175.4 | 127.2 | 0 | 0 | 111.8 | L297 K303 C304 | L297-E301 PolarHBondContact O-N 2.95Å; E301-K303 PolarHBondContact O-N 2.99Å; E301-C304 WeakPolarHBondContact O-CB 3.43Å; E301-C304 PolarHBondContact O-N 2.77Å |
| 302 | N | 55.6 | Low | 62.5 | Low | 110 Ų | 110 | 102.3 Ų | 102.3 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -6.3 | 171.9 | 45.2 | 25.3 | 0 | 0 | 0 | 114.3 | S298 S299 | S298-N302 PolarHBondContact O-ND2 3.15Å; S298-N302 PolarHBondContact O-OD1 3.23Å; S299-N302 WeakPolarHBondContact CA-OD1 3.24Å; S299-N302 PolarHBondContact O-OD1 2.98Å |
| 303 | K | 54.2 | Low | 59.5 | Low | 168 Ų | 168 | 110 Ų | 110 | 73% | 0.73 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -16.5 | 167.1 | -160.3 | 65.2 | 172.2 | 178 | 0 | 112.5 | K300 E301 | K300-K303 WeakPolarHBondContact O-CA 3.08Å; K300-K303 VanDerWaalsContact O-CB 3.24Å; K300-K303 WeakPolarHBondContact O-CB 3.37Å; K300-K303 PolarHBondContact O-N 3.14Å; E301-K303 PolarHBondContact O-N 2.99Å |
| 304 | C | 40.6 | Very low | 56.4 | Low | 104 Ų | 104 | 113.4 Ų | 113.4 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -96.4 | 0.8 | -172.6 | -159.3 | 0 | 0 | 0 | 0 | 114.3 | K300 E301 | K300-C304 PolarHBondContact O-N 2.84Å; E301-C304 WeakPolarHBondContact O-CB 3.43Å; E301-C304 PolarHBondContact O-N 2.77Å |
| 305 | N | 40 | Very low | 53.5 | Low | 139 Ų | 139 | 114.1 Ų | 114.1 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -118.1 | 22.3 | -174.1 | -71.7 | -17.6 | 0 | 0 | 0 | 113.5 | ||
| 306 | S | 42.7 | Very low | 50.6 | Low | 100 Ų | 100 | 119 Ų | 119 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -134.7 | 42.7 | -170.2 | -161.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 307 | D | 40.3 | Very low | 47.9 | Very low | 159 Ų | 159 | 122.9 Ų | 122.9 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | trans | -123.7 | 66 | 173.6 | -85.1 | -49.8 | 0 | 0 | 0 | 111.4 | ||||
| 308 | S | 41.1 | Very low | 45 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -172.4 | 150.6 | 151.1 | 34.8 | 0 | 0 | 0 | 0 | 112 | ||
| 309 | V | 37.5 | Very low | 42.4 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | trans | 46.5 | 84.8 | 171.7 | -63.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 310 | G | 35.8 | Very low | 40.7 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -89.2 | 166.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 311 | L | 35.7 | Very low | 39.1 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -150.5 | 157 | 162.7 | -110.8 | 169.3 | 0 | 0 | 0 | 111.6 | ||||
| 312 | S | 31 | Very low | 38.4 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -63.7 | 143.7 | -157.1 | -50.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 313 | L | 32.9 | Very low | 37.7 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | 51.7 | 115.1 | 126.3 | -168.3 | 77 | 0 | 0 | 0 | 120 | |||||
| 314 | S | 29.8 | Very low | 36.6 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | -177.8 | 168.5 | 116.7 | 42 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 315 | V | 32.6 | Very low | 36.1 | Very low | 125 Ų | 125 | 136 Ų | 136 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -101 | 135.1 | -176.9 | 169.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 316 | H | 30 | Very low | 36 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | -171.3 | 154.2 | 125.5 | -107.6 | -73.1 | 0 | 0 | 0 | 113.2 | |||||
| 317 | S | 36 | Very low | 36.1 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | -79.8 | 148.1 | 169.8 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 318 | N | 30.1 | Very low | 35.6 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | 169.8 | 152.9 | 127.9 | -84 | -5.1 | 0 | 0 | 0 | 112.3 | |||||
| 319 | E | 33.1 | Very low | 35.4 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -75.8 | 165.4 | 154.8 | -113 | -126.1 | 105.5 | 0 | 0 | 109.4 | R321 | E319-R321 PolarHBondContact OE1-N 2.82Š| ||
| 320 | P | 42.4 | Very low | 35.3 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -141.8 | -179.2 | 27.7 | 41.9 | -22.3 | 0 | 0 | 0 | 118 | ||||
| 321 | R | 38.4 | Very low | 35.5 | Very low | 219 Ų | 219 | 138.8 Ų | 138.8 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -42 | 148.4 | 159.4 | -155.5 | 179.3 | -169.6 | 176.5 | 4.2 | 114.4 | E319 | E319-R321 PolarHBondContact OE1-N 2.82Š| ||
| 322 | P | 46.3 | Very low | 35.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | -137.1 | -160.8 | 115.6 | 40.1 | -29.6 | 0 | 0 | 0 | 114.4 | |||||
| 323 | N | 40.5 | Very low | 35.7 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -107.5 | -162 | -162.9 | -165.5 | 17 | 0 | 0 | 0 | 112.8 | ||||
| 324 | F | 32.3 | Very low | 36.1 | Very low | 200 Ų | 200 | 134.7 Ų | 134.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | 78.5 | 147.3 | -179.4 | -45.5 | -74.9 | 0 | 0 | 0 | 114.2 | ||||
| 325 | G | 30.1 | Very low | 36.7 | Very low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | 174 | 138.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 326 | L | 36.5 | Very low | 37.4 | Very low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -66.9 | 153.8 | 172.3 | -91.9 | 145.8 | 0 | 0 | 0 | 110.7 | ||||
| 327 | P | 45 | Very low | 38.2 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -146.3 | 151.3 | 52.6 | 39.4 | -19.7 | 0 | 0 | 0 | 120 | |||||
| 328 | G | 31.3 | Very low | 38.7 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | trans | 32.3 | 113.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 329 | V | 35.7 | Very low | 39.6 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -127.9 | 138.6 | 138.5 | 179 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 330 | A | 36 | Very low | 40.7 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -129.1 | 123.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 331 | L | 38.9 | Very low | 40.6 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -173 | 150.1 | 165.4 | -107.8 | 155.6 | 0 | 0 | 0 | 109.9 | ||||
| 332 | G | 34.4 | Very low | 40.5 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 105.3 | 90.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 333 | A | 38.2 | Very low | 40.1 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -84.4 | 144.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 334 | L | 40.6 | Very low | 40 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | trans | -131.7 | 127.6 | 155.4 | -72.1 | 178.1 | 0 | 0 | 0 | 108.6 | ||||
| 335 | G | 41.5 | Very low | 40.3 | Very low | 62 Ų | 62 | 130.3 Ų | 130.3 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | trans | -148.5 | 62 | -160.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 336 | T | 48.1 | Very low | 40.6 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | -112.8 | 75.8 | 170 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 337 | K | 47.7 | Very low | 40.6 | Very low | 197 Ų | 197 | 130.6 Ų | 130.6 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -42.2 | 127.7 | 167.7 | 47.2 | -175.3 | 171.4 | -70.4 | 0 | 113.7 | ||||
| 338 | S | 45.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -89.7 | 151.4 | 164.7 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 339 | A | 49.6 | Very low | 40.4 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -106.8 | 11.1 | -159.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 340 | F | 55.7 | Low | 40.5 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -137.1 | 95.1 | -176.2 | -69.1 | -77.9 | 0 | 0 | 0 | 113.5 | ||||
| 341 | S | 39.7 | Very low | 40.3 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -165.5 | 109.7 | 158.4 | -80.9 | 0 | 0 | 0 | 0 | 110.1 | L343 | S341-L343 PolarHBondContact O-N 2.73Š| ||
| 342 | P | 37.7 | Very low | 40 | Very low | 135 Ų | 135 | 125 Ų | 125 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 117.1 | 172.2 | -10.7 | 27.3 | 0 | 0 | 0 | 110.2 | ||
| 343 | L | 37 | Very low | 40.4 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 127 | 172 | -67.6 | 176.1 | 0 | 0 | 0 | 110.4 | S341 | S341-L343 PolarHBondContact O-N 2.73Š|
| 344 | Q | 39.4 | Very low | 40.4 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 127.2 | 159.3 | -64.2 | -171.8 | 41.4 | 0 | 0 | 108.4 | ||
| 345 | T | 37.6 | Very low | 40.7 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -108.5 | 99.4 | 179.1 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 346 | T | 36.4 | Very low | 40.8 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 122.4 | 170.1 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 347 | P | 37.6 | Very low | 40.1 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -84 | 119.4 | 169.2 | 31.9 | -30.2 | 0 | 0 | 0 | 110.4 | ||
| 348 | T | 34.2 | Very low | 40 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 123.6 | 167 | -56.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 349 | A | 37.6 | Very low | 39.7 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 161.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 350 | A | 37.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -144.2 | 129.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 351 | G | 32 | Very low | 39.1 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 94% | 0.938 | 83% | 0.827 | S | S | * | * | trans | 81.5 | 127.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 352 | G | 32.8 | Very low | 39.3 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | trans | 138.6 | 84.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 353 | E | 41.6 | Very low | 39.2 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -73.9 | 128.9 | 175.4 | 52.7 | -99.3 | 68.1 | 0 | 0 | 114.5 | ||||
| 354 | S | 39.3 | Very low | 39.6 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 86% | 0.86 | 84% | 0.835 | S | S | * | * | trans | -163.3 | 168.9 | 152 | -162.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 355 | M | 46.2 | Very low | 39.4 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 70% | 0.7 | 83% | 0.832 | S | S | * | * | trans | -112.8 | 154.1 | -163.7 | -63.2 | -174.9 | -77 | 0 | 0 | 114.8 | ||||
| 356 | Y | 44 | Very low | 39.9 | Very low | 222 Ų | 222 | 136.9 Ų | 136.9 | 87% | 0.871 | 83% | 0.828 | S | S | * | * | trans | 74 | 135 | 168.6 | -44.5 | -74.5 | 0 | 0 | 0 | 118.4 | ||||
| 357 | G | 33.7 | Very low | 40.3 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | trans | 154.4 | 132.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 358 | L | 45.6 | Very low | 40.5 | Very low | 171 Ų | 171 | 144 Ų | 144 | 90% | 0.895 | 84% | 0.838 | S | S | * | * | trans | -122.6 | 150.2 | 179.1 | -71.4 | 172.8 | 0 | 0 | 0 | 112.1 | ||||
| 359 | S | 38.7 | Very low | 40.9 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 84% | 0.84 | S | S | * | * | trans | 109.9 | 135.5 | 157.2 | -49.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 360 | P | 52.5 | Low | 40.8 | Very low | 118 Ų | 118 | 144 Ų | 144 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | trans | -100.4 | 134.8 | 174.3 | 36.4 | -30.8 | 0 | 0 | 0 | 113.3 | ||||
| 361 | R | 40.3 | Very low | 40.7 | Very low | 244 Ų | 244 | 150.2 Ų | 150.2 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -145.3 | 149.3 | 164.1 | -72 | -60.6 | -176.6 | 179.5 | -0 | 111.3 | ||||
| 362 | F | 43.1 | Very low | 41.1 | Very low | 213 Ų | 213 | 151.7 Ų | 151.7 | 93% | 0.934 | 83% | 0.825 | S | S | * | * | trans | -70.6 | 138.8 | 177.9 | -65.6 | -94.7 | 0 | 0 | 0 | 111.5 | ||||
| 363 | G | 36.8 | Very low | 41.2 | Very low | 76 Ų | 76 | 154.9 Ų | 154.9 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | -126.7 | 102.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 364 | I | 43.9 | Very low | 41.1 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | -102.3 | 114.5 | 160.6 | -59.1 | 175.4 | 0 | 0 | 0 | 105.9 | ||||
| 365 | N | 35.8 | Very low | 41 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -111.2 | 112.9 | -169.6 | -150.5 | -6.2 | 0 | 0 | 0 | 110.4 | ||||
| 366 | P | 48.9 | Very low | 41.1 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 71% | 0.714 | 84% | 0.84 | S | S | * | * | trans | -81.3 | 122.4 | -178.1 | 31.2 | -32.5 | 0 | 0 | 0 | 111.2 | ||||
| 367 | L | 43.8 | Very low | 40.9 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 94% | 0.942 | 83% | 0.834 | S | S | * | * | trans | -71.8 | 143.8 | 174.4 | -77.2 | 175 | 0 | 0 | 0 | 111.9 | ||||
| 368 | R | 42.6 | Very low | 42.1 | Very low | 222 Ų | 222 | 143.8 Ų | 143.8 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -118.7 | 116.9 | -167.2 | -178.7 | -168.2 | -167.9 | -129.8 | 9.3 | 111 | ||||
| 369 | L | 43.3 | Very low | 42.2 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | trans | -127.9 | 117.1 | 150.5 | -69.9 | 93.8 | 0 | 0 | 0 | 106.4 | ||||
| 370 | A | 34.4 | Very low | 42.9 | Very low | 63 Ų | 63 | 143.6 Ų | 143.6 | 52% | 0.521 | 83% | 0.834 | S | S | . | * | cis | 76.1 | 80.3 | 43.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 371 | Y | 36.5 | Very low | 42.4 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 92% | 0.918 | 84% | 0.84 | S | S | * | * | trans | -146.9 | 135.9 | 132.2 | -97.5 | -73.8 | 0 | 0 | 0 | 108.5 | ||||
| 372 | S | 39.6 | Very low | 42.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -117.4 | 129.2 | 175 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 373 | T | 35.1 | Very low | 42.6 | Very low | 141 Ų | 141 | 138 Ų | 138 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -131.1 | 133.6 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 374 | A | 39.3 | Very low | 43.1 | Very low | 107 Ų | 107 | 140 Ų | 140 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -90.7 | 175.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 375 | G | 37.8 | Very low | 43.1 | Very low | 79 Ų | 79 | 140.9 Ų | 140.9 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 105.3 | 117.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 376 | G | 47.5 | Very low | 43.8 | Very low | 90 Ų | 90 | 140.6 Ų | 140.6 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -83.7 | 147.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 377 | G | 40.6 | Very low | 43.7 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 151.8 | 95.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 378 | I | 58.4 | Low | 44 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -60.4 | 136.3 | 168.9 | 50.7 | 174.6 | 0 | 0 | 0 | 109.8 | ||||
| 379 | P | 47.8 | Very low | 44.4 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | -135.6 | 165.4 | 105.3 | 38.3 | -29.6 | 0 | 0 | 0 | 113.9 | F381 | P379-F381 PolarHBondContact O-N 3.16Š| |||
| 380 | N | 52.6 | Low | 44.7 | Very low | 165 Ų | 165 | 130.8 Ų | 130.8 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -40.6 | 119.7 | 179.5 | -57.4 | -12.9 | 0 | 0 | 0 | 114.1 | ||||
| 381 | F | 43.3 | Very low | 45.6 | Very low | 206 Ų | 206 | 135.6 Ų | 135.6 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -117.6 | 140 | 156.6 | -141.3 | -95.4 | 0 | 0 | 0 | 109.8 | P379 | P379-F381 PolarHBondContact O-N 3.16Š| ||
| 382 | M | 49 | Very low | 45.9 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 129.5 | -172.2 | -68.7 | 152.6 | 53.8 | 0 | 0 | 111.6 | Y385 | M382-Y385 HydrophobicContact CE-CE2 4.22Š|
| 383 | S | 36.8 | Very low | 46 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 134.6 | 157 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 384 | P | 48.1 | Very low | 47 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.4 | 178.9 | 26.8 | -34 | 0 | 0 | 0 | 110.9 | V386 | P384-V386 PolarHBondContact O-N 3.3Š|
| 385 | Y | 44.6 | Very low | 47.4 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.1 | -177.1 | -73.7 | -99.8 | 0 | 0 | 0 | 111.9 | M382 T387 | M382-Y385 HydrophobicContact CE-CE2 4.22Å; Y385-T387 WeakPolarHBondContact CB-OG1 3.49Å; Y385-T387 PolarHBondContact O-N 2.92Å |
| 386 | V | 50.3 | Low | 47.6 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -77.2 | 74.9 | 159.6 | -77.3 | 0 | 0 | 0 | 0 | 109.6 | P384 S388 | P384-V386 PolarHBondContact O-N 3.3Å; V386-S388 PolarHBondContact O-N 3.3Å | ||
| 387 | T | 47.1 | Very low | 47.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 69% | 0.693 | 80% | 0.802 | S | S | * | * | trans | -73.8 | 92.9 | -177.9 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | Y385 G389 | Y385-T387 WeakPolarHBondContact CB-OG1 3.49Å; Y385-T387 PolarHBondContact O-N 2.92Å; T387-G389 PolarHBondContact O-N 3.18Å | ||
| 388 | S | 48.8 | Very low | 47.8 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 110.6 | 163 | -70.7 | 0 | 0 | 0 | 0 | 110.1 | V386 | V386-S388 PolarHBondContact O-N 3.3Š| ||
| 389 | G | 51.6 | Low | 47.3 | Very low | 64 Ų | 64 | 144.5 Ų | 144.5 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | 142.2 | 73.5 | 166 | 0 | 0 | 0 | 0 | 0 | 116.3 | T387 | T387-G389 PolarHBondContact O-N 3.18Š| ||
| 390 | L | 49.3 | Very low | 46.8 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -135.8 | 117.5 | 157.4 | -73.9 | 177.9 | 0 | 0 | 0 | 109.7 | ||||
| 391 | M | 53.2 | Low | 46.1 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -80.7 | 138.6 | 160.6 | -73.2 | -73.4 | -169.6 | 0 | 0 | 108.3 | V393 | M391-V393 VanDerWaalsContact C-N 3.34Å; M391-V393 PolarHBondContact O-N 3.08Å | ||
| 392 | P | 43.4 | Very low | 45.8 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -71.1 | 90.8 | 169.4 | 29.5 | -32.9 | 0 | 0 | 0 | 109.9 | F394 | P392-F394 PolarHBondContact O-N 3.15Š| ||
| 393 | V | 42.5 | Very low | 45.3 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 110.6 | 170.7 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | M391 | M391-V393 VanDerWaalsContact C-N 3.34Å; M391-V393 PolarHBondContact O-N 3.08Å | ||
| 394 | F | 56.1 | Low | 45 | Very low | 169 Ų | 169 | 147 Ų | 147 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -66.6 | 129.6 | 171.7 | -78.1 | -90.7 | 0 | 0 | 0 | 110.4 | P392 F396 | P392-F394 PolarHBondContact O-N 3.15Å; F394-F396 PolarHBondContact O-N 2.87Å; F394-F396 VanDerWaalsContact O-N 3.16Å | ||
| 395 | P | 47.5 | Very low | 45.1 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -77.7 | 101.3 | 179 | 30.5 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 396 | F | 42.2 | Very low | 44.8 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -81.4 | 120.9 | 162.6 | -91.7 | -84 | 0 | 0 | 0 | 110.6 | F394 | F394-F396 PolarHBondContact O-N 2.87Å; F394-F396 VanDerWaalsContact O-N 3.16Å | ||
| 397 | R | 40.9 | Very low | 44.6 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -149.8 | 146.6 | 137.1 | -103.1 | -159.9 | 175.1 | -168.2 | -2.4 | 112.3 | ||||
| 398 | P | 50.3 | Low | 44.5 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -95.9 | -166.4 | 176 | 45 | -39.2 | 0 | 0 | 0 | 109.8 | ||||
| 399 | P | 48 | Very low | 44.6 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | cis | -129.4 | 175 | -4.3 | 42 | -27.3 | 0 | 0 | 0 | 114.9 | ||||
| 400 | L | 36.7 | Very low | 43.8 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -162.8 | 156.3 | 141.2 | -112.2 | 169.4 | 0 | 0 | 0 | 110.3 | ||||
| 401 | D | 37.5 | Very low | 43.3 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -95 | 140.6 | -158.7 | -51.4 | -93.8 | 0 | 0 | 0 | 114.8 | ||||
| 402 | Y | 37.9 | Very low | 42.6 | Very low | 205 Ų | 205 | 145 Ų | 145 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -148.7 | 112.5 | 141.6 | -157.6 | -100.7 | 0 | 0 | 0 | 111.7 | F404 | Y402-F404 AromaticContact CE1-CD2 3.86Å; Y402-F404 HydrophobicContact CE1-CD2 3.86Å | ||
| 403 | S | 38.5 | Very low | 42.2 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -95.5 | 145.1 | 174.6 | -65 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 404 | F | 30.8 | Very low | 42.3 | Very low | 180 Ų | 180 | 150 Ų | 150 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | trans | -138.5 | 139.7 | 155.8 | -135.4 | -95.3 | 0 | 0 | 0 | 111.3 | Y402 | Y402-F404 AromaticContact CE1-CD2 3.86Å; Y402-F404 HydrophobicContact CE1-CD2 3.86Å | ||
| 405 | P | 50.8 | Low | 41.4 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -117.7 | 159.2 | -155.3 | 20.7 | 2.1 | 0 | 0 | 0 | 115.1 | ||||
| 406 | G | 37.4 | Very low | 40.6 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 157.5 | 82 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 407 | M | 46.3 | Very low | 40.2 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | 60.6 | 123.6 | 79.1 | -70.6 | -173.5 | 63.5 | 0 | 0 | 113 | |||||
| 408 | M | 44.2 | Very low | 39.9 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 62% | 0.621 | 74% | 0.742 | S | S | * | * | cis | -153.8 | 159 | 11.3 | -63.1 | -169.3 | -80.7 | 0 | 0 | 112.4 | ||||
| 409 | R | 51.5 | Low | 39.2 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 56.4 | 159.4 | 137.7 | -71.6 | 179.4 | 164.9 | 118.3 | -3.3 | 119.3 | ||||
| 410 | D | 34.2 | Very low | 38.8 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | -162.1 | 169.8 | -14.4 | -100.5 | -19.2 | 0 | 0 | 0 | 105.7 | ||||
| 411 | L | 39.3 | Very low | 38.8 | Very low | 153 Ų | 153 | 141.8 Ų | 141.8 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | cis | -150.7 | -176.7 | 5.7 | -132.2 | 174.9 | 0 | 0 | 0 | 109.1 | ||||
| 412 | S | 38.6 | Very low | 38.6 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -95.6 | 148.4 | -179.1 | -37.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 413 | Y | 35.2 | Very low | 38.7 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -157.8 | 151.9 | 134.1 | -154.8 | -121.1 | 0 | 0 | 0 | 112.9 | Q415 | Y413-Q415 HydrophobicContact CD1-CB 4.19Å; Y413-Q415 HydrophobicContact CE1-CB 3.71Å; Y413-Q415 HydrophobicContact CE1-CG 4.33Å | ||
| 414 | L | 45.2 | Very low | 38.5 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -143.6 | 112.6 | 179.4 | -148.2 | -176.2 | 0 | 0 | 0 | 109.7 | ||||
| 415 | Q | 35.7 | Very low | 39.2 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | trans | -151 | 105.9 | 175.2 | -155.3 | 174.5 | 35.8 | 0 | 0 | 106.2 | Y413 | Y413-Q415 HydrophobicContact CD1-CB 4.19Å; Y413-Q415 HydrophobicContact CE1-CB 3.71Å; Y413-Q415 HydrophobicContact CE1-CG 4.33Å | ||
| 416 | S | 32.2 | Very low | 38.6 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | cis | 81.1 | 124.2 | 47.3 | 89.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 417 | K | 32.9 | Very low | 38.6 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | trans | 90.2 | 115.6 | 156.9 | -147 | 170.4 | -173.3 | 178.3 | 0 | 120.7 | ||||
| 418 | D | 34.5 | Very low | 38.3 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 24.3 | 120 | 142.1 | -36 | -31.6 | 0 | 0 | 0 | 120.4 | ||||
| 419 | S | 35.4 | Very low | 38.2 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -154.5 | 116.6 | 138.8 | -162 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 420 | L | 40.1 | Very low | 37.5 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 20.3 | 130.1 | 145.2 | -62.4 | 166.4 | 0 | 0 | 0 | 121.8 | ||||
| 421 | C | 36.7 | Very low | 37.9 | Very low | 124 Ų | 124 | 148 Ų | 148 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | 9.4 | 132.1 | 137 | -51.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 422 | N | 33.6 | Very low | 37.8 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -142.3 | 139.7 | 138.7 | -151.8 | -3.6 | 0 | 0 | 0 | 112.5 | ||||
| 423 | T | 39.3 | Very low | 37.9 | Very low | 133 Ų | 133 | 157.3 Ų | 157.3 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -88.5 | 149 | 175.2 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 424 | G | 34.5 | Very low | 38 | Very low | 79 Ų | 79 | 155.5 Ų | 155.5 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -159.5 | 65.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 425 | I | 45.3 | Very low | 37.6 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | trans | -82.7 | 124.1 | 170.8 | -49.8 | 170.9 | 0 | 0 | 0 | 107.8 | ||||
| 426 | Y | 38.5 | Very low | 37.7 | Very low | 229 Ų | 229 | 156.3 Ų | 156.3 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -147.9 | 144.5 | 160.6 | -126.9 | -84.9 | 0 | 0 | 0 | 113 | ||||
| 427 | S | 37.6 | Very low | 38 | Very low | 94 Ų | 94 | 159.9 Ų | 159.9 | 66% | 0.657 | 83% | 0.826 | S | S | * | * | trans | -83.7 | 160.1 | -168.1 | -50.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 428 | R | 39.3 | Very low | 38.4 | Very low | 252 Ų | 252 | 158.6 Ų | 158.6 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -130.3 | 127 | 151.3 | -142.6 | -178.4 | -161 | -151.8 | 5.1 | 109.8 | ||||
| 429 | I | 42.7 | Very low | 38.6 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 68% | 0.682 | 84% | 0.835 | S | S | * | * | trans | -120.8 | 165.7 | -178.1 | -79.6 | 172.6 | 0 | 0 | 0 | 108.1 | ||||
| 430 | N | 37.3 | Very low | 38.9 | Very low | 142 Ų | 142 | 163.1 Ų | 163.1 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | trans | 78.4 | 148 | -178.8 | -62.5 | -29.2 | 0 | 0 | 0 | 115.8 | ||||
| 431 | H | 41.5 | Very low | 38.8 | Very low | 168 Ų | 168 | 163.8 Ų | 163.8 | 78% | 0.778 | 84% | 0.839 | S | S | * | * | cis | -140.1 | 150.4 | 11.1 | -151.2 | -76 | 0 | 0 | 0 | 112.5 | ||||
| 432 | E | 37.9 | Very low | 38.9 | Very low | 177 Ų | 177 | 167.1 Ų | 167.1 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | trans | -70.9 | 152.7 | 165.8 | -72.9 | 176.9 | 87.2 | 0 | 0 | 112.2 | ||||
| 433 | K | 39.8 | Very low | 39.4 | Very low | 277 Ų | 277 | 167.6 Ų | 167.6 | 100% | 1.204 | 84% | 0.837 | S | S | * | * | trans | -158.3 | 0 | 140.1 | -148.5 | 178.7 | -177.4 | -178.3 | 0 | 111.2 |
Retrieved 433 of 433 residues in 242.8 ms
(Link to these results)