| 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 | 41.5 | Very low | 46.1 | Very low | 230 Ų | 230 | 156.5 Ų | 156.5 | 100% | 1.133 | 82% | 0.823 | S | S | * | * | 0 | 111.3 | 0 | -63.1 | 168.2 | -178.4 | 0 | 0 | 105 | |||||
| 2 | L | 43 | Very low | 45.8 | Very low | 159 Ų | 159 | 149 Ų | 149 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 58.9 | 111.5 | 82.8 | -67.2 | 170.3 | 0 | 0 | 0 | 109.4 | |||||
| 3 | L | 52.5 | Low | 46.1 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | cis | -136.9 | 170 | 24.8 | -75.6 | 149.1 | 0 | 0 | 0 | 114.6 | ||||
| 4 | H | 46.6 | Very low | 45.5 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -112.8 | -177 | 169.9 | -138.9 | -127.9 | 0 | 0 | 0 | 107.4 | ||||
| 5 | P | 55.7 | Low | 45.2 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | cis | -126.8 | -176.8 | -7.6 | 14 | 13.3 | 0 | 0 | 0 | 115.3 | ||||
| 6 | D | 44.6 | Very low | 45.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | 8.5 | 137.3 | 149.4 | -61.9 | -95.4 | 0 | 0 | 0 | 123 | ||||
| 7 | Y | 43.9 | Very low | 45.1 | Very low | 232 Ų | 232 | 138.4 Ų | 138.4 | 91% | 0.91 | 80% | 0.804 | S | S | * | * | -172.7 | 147.7 | 91.5 | -115.4 | -89.4 | 0 | 0 | 0 | 113.2 | |||||
| 8 | G | 42.9 | Very low | 45 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | 97.5 | 74.5 | 145 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 9 | H | 47.1 | Very low | 44.8 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | 60.9 | 134 | 140.7 | -99.8 | 13.2 | 0 | 0 | 0 | 124.3 | ||||
| 10 | A | 43.6 | Very low | 44.6 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | 74.2 | 83.2 | 137.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 11 | H | 45.7 | Very low | 44.4 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -48.4 | 156.2 | 131.3 | -117.1 | -130 | 0 | 0 | 0 | 111 | ||||
| 12 | A | 43.1 | Very low | 44.3 | Very low | 67 Ų | 67 | 131 Ų | 131 | 55% | 0.554 | 79% | 0.786 | S | S | * | * | cis | -160.5 | 163.4 | 4.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | T | 48.6 | Very low | 44.2 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | 33.9 | 121.4 | 144.7 | 56 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 14 | G | 39 | Very low | 43.6 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -71.4 | 164.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 15 | G | 40.3 | Very low | 43.4 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | -119.6 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 16 | D | 42.9 | Very low | 42.8 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -70.7 | 131.8 | -157.7 | -54.8 | -89.9 | 0 | 0 | 0 | 116.8 | N18 | D16-N18 VanDerWaalsContact C-N 3.31Å; D16-N18 PolarHBondContact O-N 3.42Å | ||
| 17 | P | 46.1 | Very low | 43 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 63.4 | 171.8 | 36 | -35.7 | 0 | 0 | 0 | 111.9 | ||
| 18 | N | 43.8 | Very low | 42.6 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147 | 15.3 | 178.6 | -108 | -51.2 | 0 | 0 | 0 | 116.2 | D16 | D16-N18 VanDerWaalsContact C-N 3.31Å; D16-N18 PolarHBondContact O-N 3.42Å |
| 19 | S | 40.1 | Very low | 42.6 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -115.5 | 28.5 | -171.2 | 46.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 20 | A | 40.4 | Very low | 42.3 | Very low | 86 Ų | 86 | 125.6 Ų | 125.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -141.5 | 50.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 21 | L | 40.3 | Very low | 41.9 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -123 | 75.5 | 170.4 | -74.3 | 177.4 | 0 | 0 | 0 | 112.3 | Y23 | L21-Y23 HydrophobicContact CD2-CD2 3.83Å; L21-Y23 HydrophobicContact CD2-CE2 3.84Å | ||
| 22 | S | 41.2 | Very low | 41.4 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -116.9 | 57.2 | 168.8 | -162.9 | 0 | 0 | 0 | 0 | 110.9 | G24 | S22-G24 PolarHBondContact O-N 3.5Š| ||
| 23 | Y | 40.8 | Very low | 41.3 | Very low | 204 Ų | 204 | 122.7 Ų | 122.7 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -77.3 | 107.4 | 174.7 | -79.1 | -74.2 | 0 | 0 | 0 | 110.7 | L21 | L21-Y23 HydrophobicContact CD2-CD2 3.83Å; L21-Y23 HydrophobicContact CD2-CE2 3.84Å | ||
| 24 | G | 39.9 | Very low | 40.9 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -66 | 138.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S22 S26 | S22-G24 PolarHBondContact O-N 3.5Å; G24-S26 PolarHBondContact O-N 3.37Å; G24-S26 VanDerWaalsContact O-N 3.1Å | ||
| 25 | T | 41.6 | Very low | 40.8 | Very low | 149 Ų | 149 | 122.2 Ų | 122.2 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 91.7 | -179.2 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 26 | S | 42.7 | Very low | 40.8 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -96.6 | 108.8 | 172.5 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | G24 | G24-S26 PolarHBondContact O-N 3.37Å; G24-S26 VanDerWaalsContact O-N 3.1Å | ||
| 27 | T | 48.6 | Very low | 40.8 | Very low | 109 Ų | 109 | 122 Ų | 122 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | trans | 14.4 | 118 | 159.3 | 51 | 0 | 0 | 0 | 0 | 119.3 | S29 | T27-S29 VanDerWaalsContact C-N 3.28Å; T27-S29 PolarHBondContact O-N 3.2Å | ||
| 28 | L | 35.6 | Very low | 41 | Very low | 184 Ų | 184 | 119.8 Ų | 119.8 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 76.4 | 168.3 | -174.9 | 71.8 | 0 | 0 | 0 | 112 | ||
| 29 | S | 42.4 | Very low | 40.8 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.7 | -18.8 | 172.7 | 58.9 | 0 | 0 | 0 | 0 | 115 | T27 A31 | T27-S29 VanDerWaalsContact C-N 3.28Å; T27-S29 PolarHBondContact O-N 3.2Å; S29-A31 VanDerWaalsContact C-N 3.3Å; S29-A31 PolarHBondContact O-N 3.48Å |
| 30 | Q | 40.8 | Very low | 41 | Very low | 176 Ų | 176 | 120.8 Ų | 120.8 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -92.4 | 31.2 | -175.7 | -153.5 | 162.8 | 31.8 | 0 | 0 | 114.1 | A32 | Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 2.96Å; Q30-A32 VanDerWaalsContact O-N 3.13Å | ||
| 31 | A | 35.1 | Very low | 41.4 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -86.5 | 43.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S29 | S29-A31 VanDerWaalsContact C-N 3.3Å; S29-A31 PolarHBondContact O-N 3.48Å | ||
| 32 | A | 36.3 | Very low | 41.5 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -164.5 | 77.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q30 | Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 2.96Å; Q30-A32 VanDerWaalsContact O-N 3.13Å |
| 33 | A | 40.7 | Very low | 41.4 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -167.4 | -48.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A35 | A33-A35 PolarHBondContact O-N 3.15Š|
| 34 | A | 40.4 | Very low | 41.3 | Very low | 109 Ų | 109 | 120 Ų | 120 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -102.4 | 49 | -154.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 35 | A | 37.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -125.1 | 64.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | A33 | A33-A35 PolarHBondContact O-N 3.15Š| ||
| 36 | A | 40.6 | Very low | 41.2 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -146 | 31.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 37 | A | 43.1 | Very low | 41 | Very low | 106 Ų | 106 | 122 Ų | 122 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -153.8 | 32.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 38 | A | 48.9 | Very low | 40.7 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | -150.9 | 92.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y40 | A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.45Å | ||
| 39 | G | 40.6 | Very low | 40.9 | Very low | 81 Ų | 81 | 119.4 Ų | 119.4 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -78.9 | 67.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 40 | Y | 43.1 | Very low | 40.8 | Very low | 206 Ų | 206 | 119 Ų | 119 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -117.8 | 118.7 | 174.1 | -69.5 | -75.8 | 0 | 0 | 0 | 111.5 | A38 V42 | A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.45Å; Y40-V42 PolarHBondContact O-N 3.43Å | ||
| 41 | P | 49.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -79.5 | 119.8 | 178.6 | 30.8 | -32.7 | 0 | 0 | 0 | 111.4 | Q43 | P41-Q43 PolarHBondContact O-N 3.23Š| ||
| 42 | V | 41.2 | Very low | 40.8 | Very low | 142 Ų | 142 | 115.2 Ų | 115.2 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -79.9 | 111.8 | 167.5 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | Y40 | Y40-V42 PolarHBondContact O-N 3.43Š| ||
| 43 | Q | 40.4 | Very low | 40.6 | Very low | 146 Ų | 146 | 122.2 Ų | 122.2 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -77 | 133.9 | 174.3 | -70.9 | -160.6 | -25.4 | 0 | 0 | 111.3 | P41 H45 | P41-Q43 PolarHBondContact O-N 3.23Å; Q43-H45 PolarHBondContact OE1-CE1 2.88Å; Q43-H45 PolarHBondContact OE1-NE2 3.48Å | ||
| 44 | N | 37.8 | Very low | 40.6 | Very low | 145 Ų | 145 | 121.8 Ų | 121.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -100.8 | 105.8 | 178.5 | -174.2 | 11.6 | 0 | 0 | 0 | 109.3 | ||||
| 45 | H | 41.5 | Very low | 40.4 | Very low | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 95.6 | -177.1 | -63.6 | -60.2 | 0 | 0 | 0 | 111.4 | Q43 | Q43-H45 PolarHBondContact OE1-CE1 2.88Å; Q43-H45 PolarHBondContact OE1-NE2 3.48Å | ||
| 46 | S | 37.9 | Very low | 40.6 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | -104 | 144.2 | 169.4 | -67.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 47 | S | 39.4 | Very low | 40.4 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 71.1 | 121.5 | 166.6 | 68.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 48 | A | 41.3 | Very low | 40.3 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 63.1 | 96.8 | 131.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 49 | T | 41.5 | Very low | 39.9 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -123.5 | 112.4 | 130.4 | 26.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 50 | A | 38.5 | Very low | 40.1 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | 93.9 | 121.9 | 73.1 | 0 | 0 | 0 | 0 | 0 | 111 | A52 | A50-A52 PolarHBondContact O-N 3.13Š| |||
| 51 | A | 37 | Very low | 39.9 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -66 | 125.6 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 52 | A | 40.2 | Very low | 39.2 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -163.9 | 86 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A50 | A50-A52 PolarHBondContact O-N 3.13Š| ||
| 53 | Y | 32.5 | Very low | 39 | Very low | 244 Ų | 244 | 128.7 Ų | 128.7 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | trans | -177.6 | 89.9 | 144.4 | -93.4 | -57.7 | 0 | 0 | 0 | 108.9 | ||||
| 54 | A | 40.3 | Very low | 38.9 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -97.9 | 151 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 55 | N | 36 | Very low | 39.3 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 65.4 | 102.2 | 174.3 | -57.1 | -65.8 | 0 | 0 | 0 | 117.6 | ||||
| 56 | L | 41.1 | Very low | 39.2 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | -154 | 142.9 | 124.7 | -146 | 68.6 | 0 | 0 | 0 | 110.9 | |||||
| 57 | S | 37.4 | Very low | 39.2 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 37.2 | 110.6 | 167.1 | 57.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 58 | A | 40.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | cis | 51.4 | 86.4 | 28.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 59 | N | 39.5 | Very low | 39.7 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -138.5 | 92.7 | 156.1 | -167.3 | 12.9 | 0 | 0 | 0 | 111.8 | ||||
| 60 | M | 44.6 | Very low | 39.8 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | 20.2 | 119.5 | 149 | -45.4 | -168.5 | -160.4 | 0 | 0 | 120.2 | ||||
| 61 | N | 38.7 | Very low | 40 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | -134.4 | 118.1 | 114.9 | -172.2 | 2.8 | 0 | 0 | 0 | 108 | |||||
| 62 | A | 36.5 | Very low | 40.4 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | trans | -133.8 | 94.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 63 | S | 36.6 | Very low | 40.4 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -138.4 | 77.7 | 168.6 | -61.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 64 | A | 37.4 | Very low | 40.8 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | 57.4 | 94.4 | 60.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 65 | L | 47.1 | Very low | 41.1 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -177.7 | 126.9 | 141.2 | -98.9 | 165.9 | 0 | 0 | 0 | 110.9 | ||||
| 66 | N | 39.1 | Very low | 41.5 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | 48.4 | 123.3 | 163.6 | -66.7 | -30 | 0 | 0 | 0 | 122.3 | ||||
| 67 | G | 38.4 | Very low | 41.4 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -97.8 | -133.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 68 | P | 50.6 | Low | 41.7 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | cis | -139.6 | 154.2 | -20.5 | 39.6 | -24 | 0 | 0 | 0 | 114.3 | ||||
| 69 | Y | 40.5 | Very low | 41.9 | Very low | 229 Ų | 229 | 131.1 Ų | 131.1 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -154.4 | 140.2 | 164.8 | -85.1 | -69.1 | 0 | 0 | 0 | 114.4 | ||||
| 70 | S | 42.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 54.2 | 123.3 | 159.6 | -51.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 71 | A | 43 | Very low | 42.3 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 66.8 | 136.4 | 51.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 72 | M | 45 | Very low | 42.6 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | cis | -166.3 | 153.4 | 29.9 | 171.8 | 171.2 | 169.3 | 0 | 0 | 113.7 | ||||
| 73 | S | 41.4 | Very low | 42.7 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 60.6 | 143.6 | 164.6 | -64.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 74 | S | 40.8 | Very low | 43.2 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | cis | 112.5 | 111.8 | 0.3 | -60.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 75 | F | 46.2 | Very low | 43.9 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -160.3 | 158.2 | 159.3 | 173.5 | -116.2 | 0 | 0 | 0 | 110.4 | ||||
| 76 | T | 44 | Very low | 43.9 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -153.1 | 144.5 | -160.2 | -53 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 77 | G | 38.7 | Very low | 44.2 | Very low | 62 Ų | 62 | 128.5 Ų | 128.5 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | 169.3 | 133.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 78 | M | 45.3 | Very low | 44.5 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | cis | 67.5 | 130.8 | 48.1 | -61.2 | 178.8 | 71 | 0 | 0 | 112.4 | ||||
| 79 | N | 43 | Very low | 44.1 | Very low | 133 Ų | 133 | 128.1 Ų | 128.1 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | -163.6 | 177.6 | 7.1 | -98.7 | -8.8 | 0 | 0 | 0 | 109.1 | ||||
| 80 | S | 43.9 | Very low | 44.5 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | cis | 179.1 | -179.6 | -29 | -171.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 81 | M | 50.3 | Low | 44.5 | Very low | 178 Ų | 178 | 126 Ų | 126 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | 73.5 | 156.6 | 164 | -65.2 | -159.2 | 177.1 | 0 | 0 | 120.3 | ||||
| 82 | N | 43.4 | Very low | 44.5 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -172.2 | 152.5 | -22.7 | 176.3 | 45.9 | 0 | 0 | 0 | 113 | ||||
| 83 | G | 40 | Very low | 45 | Very low | 62 Ų | 62 | 126.6 Ų | 126.6 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | 85.4 | 157.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 84 | H | 46.8 | Very low | 45.4 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 146.2 | -12 | -161.8 | -69.3 | 0 | 0 | 0 | 111.2 | ||||
| 85 | P | 51.2 | Low | 45.5 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -120.6 | -176.8 | -179.5 | 42.6 | -33.7 | 0 | 0 | 0 | 116.3 | ||||
| 86 | G | 46.7 | Very low | 45.5 | Very low | 61 Ų | 61 | 125.4 Ų | 125.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -161.2 | 132.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | L | 47.5 | Very low | 45.3 | Very low | 161 Ų | 161 | 124.4 Ų | 124.4 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | 61.5 | 129.8 | 93.2 | -61.2 | 170.8 | 0 | 0 | 0 | 114.1 | |||||
| 88 | N | 44.2 | Very low | 45.7 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -161.3 | 179 | -2.6 | -124.8 | 2.8 | 0 | 0 | 0 | 108.2 | Y90 | N88-Y90 PolarHBondContact ND2-OH 2.93Š| ||
| 89 | G | 42.6 | Very low | 45.6 | Very low | 47 Ų | 47 | 124.8 Ų | 124.8 | 49% | 0.485 | 77% | 0.765 | S | S | . | * | cis | 163 | 165.4 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 90 | Y | 48.7 | Very low | 45.9 | Very low | 222 Ų | 222 | 126.2 Ų | 126.2 | 87% | 0.871 | 77% | 0.77 | S | S | * | * | trans | 68.1 | 139.4 | 169.8 | -34.9 | -75.7 | 0 | 0 | 0 | 119 | N88 | N88-Y90 PolarHBondContact ND2-OH 2.93Š| ||
| 91 | G | 42.3 | Very low | 45.9 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | 171.3 | 160 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 92 | A | 42.8 | Very low | 45.5 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 65.6 | 154.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 93 | M | 56.1 | Low | 45.8 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | cis | -167.7 | 159.3 | -47.2 | -104.5 | -85 | 170.3 | 0 | 0 | 108.8 | ||||
| 94 | P | 49.4 | Very low | 45.9 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -113.2 | 179.9 | -168.6 | 42.3 | -33.1 | 0 | 0 | 0 | 114.9 | ||||
| 95 | G | 42.9 | Very low | 46.2 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 160.5 | 125.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 96 | M | 46.4 | Very low | 46.1 | Very low | 199 Ų | 199 | 125.5 Ų | 125.5 | 98% | 0.98 | 78% | 0.784 | S | S | * | * | -169.3 | 151.9 | 126.3 | 53 | 179.6 | 172.8 | 0 | 0 | 110.1 | |||||
| 97 | A | 40.1 | Very low | 46.7 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 147.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 98 | T | 46.6 | Very low | 46.9 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | trans | -150 | 121.8 | 162.4 | 43.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 99 | T | 42.7 | Very low | 47 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.693 | 81% | 0.805 | S | S | * | * | 55.5 | 137.8 | 60.5 | 78.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 100 | M | 49 | Very low | 47.5 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | cis | -148.4 | -177.2 | 32.5 | -51.2 | -176.5 | -176.5 | 0 | 0 | 113.2 | ||||
| 101 | S | 43.7 | Very low | 47.4 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | 81.3 | 111.2 | 153.2 | -57.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 102 | S | 41.6 | Very low | 47.6 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | -97.7 | 145.4 | 176 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 103 | L | 51 | Low | 47.8 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -143 | 134.5 | 144.1 | -77.9 | -177.1 | 0 | 0 | 0 | 109.4 | ||||
| 104 | S | 42.7 | Very low | 47.2 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -133 | 141.9 | 171.2 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 105 | M | 52.3 | Low | 47.5 | Very low | 191 Ų | 191 | 127.4 Ų | 127.4 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | trans | -141.5 | 136.3 | 172.8 | -78.1 | -75.1 | 104.2 | 0 | 0 | 108.5 | ||||
| 106 | G | 49.1 | Very low | 47.9 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | -97.4 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 107 | P | 58.8 | Low | 48 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -79.9 | 136.6 | -179.3 | 32.2 | -34.1 | 0 | 0 | 0 | 112.5 | ||||
| 108 | T | 51.9 | Low | 48.3 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -108 | 146.3 | 173.1 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 109 | A | 46.3 | Very low | 48.2 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -123.6 | 140.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 110 | M | 52.3 | Low | 48.1 | Very low | 200 Ų | 200 | 128 Ų | 128 | 99% | 0.985 | 83% | 0.827 | S | S | * | * | trans | -174.2 | 155.7 | 166.6 | -111.9 | 171.5 | 175.5 | 0 | 0 | 112.6 | ||||
| 111 | G | 47.1 | Very low | 48 | Very low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | 91.6 | 104.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 112 | S | 46.5 | Very low | 47.9 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | cis | 95.2 | 94.5 | 10.2 | -43.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 113 | S | 46.7 | Very low | 48.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -157.6 | 124.7 | 153.3 | -74.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 114 | A | 43.9 | Very low | 47.9 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | cis | 68.1 | 124.9 | 40.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 115 | L | 56.8 | Low | 47.8 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | cis | -141.8 | 155.4 | 4.1 | -56.9 | 161.6 | 0 | 0 | 0 | 106.9 | ||||
| 116 | S | 51.4 | Low | 47.5 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | 168 | 144.7 | 72.5 | -69.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 117 | P | 47.2 | Very low | 47.1 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -141.2 | 119 | 156.7 | 34.9 | -18.2 | 0 | 0 | 0 | 114.2 | ||||
| 118 | L | 47.7 | Very low | 46.4 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | trans | -178.9 | 147.1 | 161 | -104.6 | 155.8 | 0 | 0 | 0 | 109.9 | ||||
| 119 | G | 42.7 | Very low | 46.1 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 167 | 72.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 120 | C | 41.5 | Very low | 46 | Very low | 125 Ų | 125 | 121.3 Ų | 121.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 146.6 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 121 | G | 46.1 | Very low | 46.1 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -158.2 | 100.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 122 | Q | 42.5 | Very low | 46.2 | Very low | 183 Ų | 183 | 120.9 Ų | 120.9 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -104.7 | 133.4 | 168.2 | -76.5 | -174.6 | -97.8 | 0 | 0 | 111.2 | ||||
| 123 | M | 50.6 | Low | 46.5 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | trans | -146.7 | 102.6 | 151.9 | 46.5 | -87.4 | -94.4 | 0 | 0 | 106.1 | ||||
| 124 | T | 41.6 | Very low | 46.4 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | 84 | 151.4 | 63 | -147.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 125 | V | 40.6 | Very low | 46.3 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -86.2 | 154.8 | -151.8 | -69.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 126 | G | 46.7 | Very low | 45.7 | Very low | 79 Ų | 79 | 119.8 Ų | 119.8 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 137.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 127 | V | 40.8 | Very low | 45.4 | Very low | 146 Ų | 146 | 118 Ų | 118 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -136 | 138.7 | -165.2 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 128 | G | 44.2 | Very low | 45.5 | Very low | 59 Ų | 59 | 119 Ų | 119 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | trans | 176.1 | 114.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 129 | S | 44.1 | Very low | 45.2 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 70.3 | 123.4 | 87.7 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 130 | S | 45 | Very low | 45.6 | Very low | 93 Ų | 93 | 120.2 Ų | 120.2 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | cis | 154 | 162.4 | -3.8 | 41.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 131 | T | 53.7 | Low | 45.8 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 71.3 | 146.1 | 174 | 80.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 132 | T | 50.9 | Low | 45.4 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | cis | -157.1 | 159.9 | -31.4 | 10.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 133 | P | 52 | Low | 45.1 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -99.5 | 140.8 | -173.9 | 36.6 | -32.4 | 0 | 0 | 0 | 114.8 | ||||
| 134 | T | 44.4 | Very low | 44.8 | Very low | 157 Ų | 157 | 112.6 Ų | 112.6 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | 178.2 | 153.7 | 143.4 | 17.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 135 | G | 41.4 | Very low | 45 | Very low | 78 Ų | 78 | 111.9 Ų | 111.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 141.6 | 110.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 136 | A | 45.6 | Very low | 45.6 | Very low | 113 Ų | 113 | 112 Ų | 112 | 93% | 0.934 | 81% | 0.814 | S | S | * | * | trans | -76.1 | 153.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 137 | G | 43.8 | Very low | 45.9 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 179.6 | 80.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 138 | V | 49.7 | Very low | 46.6 | Very low | 140 Ų | 140 | 115.8 Ų | 115.8 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | 57.2 | 128.9 | 151.2 | -173.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 139 | A | 41.9 | Very low | 47.2 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | -76.5 | 144.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 140 | Q | 50.6 | Low | 47.6 | Very low | 194 Ų | 194 | 130.3 Ų | 130.3 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -146.4 | 137.7 | 157.9 | -138 | 161.6 | 99.1 | 0 | 0 | 111.1 | ||||
| 141 | S | 46.2 | Very low | 48.2 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -107.6 | 141.5 | -166.2 | 53.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 142 | G | 38.2 | Very low | 48.4 | Very low | 83 Ų | 83 | 129.9 Ų | 129.9 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | trans | 94.5 | 153.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 143 | G | 34.9 | Very low | 48.6 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | cis | 162.4 | 83 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 144 | A | 44 | Very low | 48.7 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -145.4 | 57.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 145 | S | 47.4 | Very low | 49.1 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -138.9 | 26.9 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 146 | V | 52.3 | Low | 49.3 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -128.3 | 75.2 | -177.9 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 147 | S | 54.1 | Low | 49.7 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -137.3 | -2.9 | 179.4 | -50.9 | 0 | 0 | 0 | 0 | 116 | ||
| 148 | Q | 55.4 | Low | 50.2 | Low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -107.2 | -10.8 | -176.7 | -75.5 | 172.7 | -80.2 | 0 | 0 | 115.8 | R150 | Q148-R150 PolarHBondContact O-N 3.21Š|
| 149 | R | 55.8 | Low | 50.3 | Low | 233 Ų | 233 | 136.4 Ų | 136.4 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 48.1 | -176 | -65.2 | -166.7 | 178.1 | -141.9 | 1.3 | 114.6 | ||
| 150 | R | 53.4 | Low | 51.1 | Low | 250 Ų | 250 | 139 Ų | 139 | 94% | 0.943 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 14.9 | 177.9 | -77.7 | -167.1 | 176.1 | -176.6 | 0 | 115.3 | Q148 | Q148-R150 PolarHBondContact O-N 3.21Š|
| 151 | N | 56.6 | Low | 51.8 | Low | 95 Ų | 95 | 132.8 Ų | 132.8 | 51% | 0.508 | 71% | 0.711 | S | S | . | * | trans | -118.9 | -5.8 | -173.8 | -154.6 | 15.6 | 0 | 0 | 0 | 115.3 | K153 N154 | N151-K153 VanDerWaalsContact C-N 3.28Å; N151-K153 PolarHBondContact O-N 3.24Å; N151-N154 VanDerWaalsContact O-CB 3.29Å; N151-N154 WeakPolarHBondContact O-CB 3.47Å; N151-N154 PolarHBondContact O-N 3.35Å; N151-N154 VanDerWaalsContact OD1-CB 3.3Å; N151-N154 WeakPolarHBondContact OD1-CB 3.29Å; N151-N154 PolarHBondContact OD1-ND2 2.92Å | ||
| 152 | D | 57.3 | Low | 53.4 | Low | 117 Ų | 117 | 133.2 Ų | 133.2 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -64.4 | -31.1 | -170.3 | -48.7 | -81 | 0 | 0 | 0 | 113.3 | N154 S155 | D152-N154 PolarHBondContact O-N 2.94Å; D152-S155 PolarHBondContact O-N 3.24Å |
| 153 | K | 56.7 | Low | 55.8 | Low | 198 Ų | 198 | 131 Ų | 131 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.7 | -21.8 | 173.6 | -63.1 | -173.2 | 179.1 | -175.8 | 0 | 113.3 | N151 | N151-K153 VanDerWaalsContact C-N 3.28Å; N151-K153 PolarHBondContact O-N 3.24Å |
| 154 | N | 53.5 | Low | 58.5 | Low | 72 Ų | 72 | 132.6 Ų | 132.6 | 39% | 0.385 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -88.4 | -23.6 | 179.7 | -159.4 | -9.7 | 0 | 0 | 0 | 112.3 | N151 D152 R158 | N151-N154 VanDerWaalsContact O-CB 3.29Å; N151-N154 WeakPolarHBondContact O-CB 3.47Å; N151-N154 PolarHBondContact O-N 3.35Å; N151-N154 VanDerWaalsContact OD1-CB 3.3Å; N151-N154 WeakPolarHBondContact OD1-CB 3.29Å; N151-N154 PolarHBondContact OD1-ND2 2.92Å; D152-N154 PolarHBondContact O-N 2.94Å; N154-R158 VanDerWaalsContact CG-NH2 3.31Å; N154-R158 PolarHBondContact ND2-NH2 3.38Å; N154-R158 PolarHBondContact O-N 3.38Å; N154-R158 PolarHBondContact OD1-NH2 3.03Å; N154-R158 VanDerWaalsContact OD1-NH2 3.12Å |
| 155 | S | 52.1 | Low | 60.7 | Low | 66 Ų | 66 | 128.4 Ų | 128.4 | 46% | 0.462 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 172.6 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | D152 R157 R158 S159 | D152-S155 PolarHBondContact O-N 3.24Å; S155-R157 PolarHBondContact O-N 3.19Å; S155-R158 WeakPolarHBondContact O-CA 3.42Å; S155-R158 WeakPolarHBondContact O-CB 3.4Å; S155-R158 PolarHBondContact O-N 3.43Å; S155-S159 PolarHBondContact O-N 2.96Å; S155-S159 PolarHBondContact O-OG 3.07Å |
| 156 | Y | 46.5 | Very low | 62.8 | Low | 158 Ų | 158 | 128.1 Ų | 128.1 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.1 | -42.7 | 179.5 | -169.2 | -98.2 | 0 | 0 | 0 | 112.9 | R158 Y160 | Y156-R158 PolarHBondContact O-N 3.22Å; Y156-Y160 HydrophobicContact CE1-CD2 4.08Å; Y156-Y160 HydrophobicContact CE1-CE2 4.19Å; Y156-Y160 AromaticContact CZ-CE2 3.83Å; Y156-Y160 PolarHBondContact O-N 3.21Å; Y156-Y160 WeakPolarHBondContact OH-CE2 3.38Å |
| 157 | R | 52.7 | Low | 64.7 | Low | 203 Ų | 203 | 125.6 Ų | 125.6 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.5 | -30.6 | 172.2 | -88.4 | -75.3 | -175.2 | 163 | 0.7 | 112.9 | S155 | S155-R157 PolarHBondContact O-N 3.19Å |
| 158 | R | 54.4 | Low | 66.6 | Low | 152 Ų | 152 | 122 Ų | 122 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81 | -43.2 | -177.2 | -137.1 | 168.2 | -66.5 | -147.4 | -3 | 112.1 | N154 S155 Y156 Y160 T161 | N154-R158 VanDerWaalsContact CG-NH2 3.31Å; N154-R158 PolarHBondContact ND2-NH2 3.38Å; N154-R158 PolarHBondContact O-N 3.38Å; N154-R158 PolarHBondContact OD1-NH2 3.03Å; N154-R158 VanDerWaalsContact OD1-NH2 3.12Å; S155-R158 WeakPolarHBondContact O-CA 3.42Å; S155-R158 WeakPolarHBondContact O-CB 3.4Å; S155-R158 PolarHBondContact O-N 3.43Å; Y156-R158 PolarHBondContact O-N 3.22Å; R158-Y160 VanDerWaalsContact C-N 3.26Å; R158-Y160 PolarHBondContact O-N 2.87Å; R158-T161 PolarHBondContact O-N 3.23Å; R158-T161 PolarHBondContact O-OG1 3.25Å |
| 159 | S | 53.4 | Low | 68.5 | Low | 89 Ų | 89 | 116 Ų | 116 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -34.3 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | S155 T161 H162 | S155-S159 PolarHBondContact O-N 2.96Å; S155-S159 PolarHBondContact O-OG 3.07Å; S159-T161 PolarHBondContact O-N 3.36Å; S159-H162 PolarHBondContact O-N 3.46Å |
| 160 | Y | 58 | Low | 70.4 | Confident | 149 Ų | 149 | 107 Ų | 107 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -68.8 | -12.9 | 178.9 | -115.5 | -85.4 | 0 | 0 | 0 | 114.9 | Y156 R158 H162 A163 | Y156-Y160 HydrophobicContact CE1-CD2 4.08Å; Y156-Y160 HydrophobicContact CE1-CE2 4.19Å; Y156-Y160 AromaticContact CZ-CE2 3.83Å; Y156-Y160 PolarHBondContact O-N 3.21Å; Y156-Y160 WeakPolarHBondContact OH-CE2 3.38Å; R158-Y160 VanDerWaalsContact C-N 3.26Å; R158-Y160 PolarHBondContact O-N 2.87Å; Y160-H162 PolarHBondContact O-N 3.16Å; Y160-A163 HydrophobicContact CD1-CB 3.8Å; Y160-A163 HydrophobicContact CE1-CB 4.07Å; Y160-A163 HydrophobicContact CG-CB 4.43Å; Y160-A163 WeakPolarHBondContact O-CB 3.44Å; Y160-A163 PolarHBondContact O-N 3.12Å |
| 161 | T | 65.7 | Low | 72.3 | Confident | 65 Ų | 65 | 95.2 Ų | 95.2 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -70 | -19.3 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | R158 S159 | R158-T161 PolarHBondContact O-N 3.23Å; R158-T161 PolarHBondContact O-OG1 3.25Å; S159-T161 PolarHBondContact O-N 3.36Å |
| 162 | H | 78.9 | Confident | 74.1 | Confident | 126 Ų | 126 | 90.7 Ų | 90.7 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -99 | 0.2 | 175 | -63.1 | -77 | 0 | 0 | 0 | 113 | S159 Y160 Y200 | S159-H162 PolarHBondContact O-N 3.46Å; Y160-H162 PolarHBondContact O-N 3.16Å; H162-Y200 WeakPolarHBondContact O-CD2 3.43Å |
| 163 | A | 88 | Confident | 76 | Confident | 37 Ų | 37 | 85.1 Ų | 85.1 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -77.8 | 151.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y160 P165 | Y160-A163 HydrophobicContact CD1-CB 3.8Å; Y160-A163 HydrophobicContact CE1-CB 4.07Å; Y160-A163 HydrophobicContact CG-CB 4.43Å; Y160-A163 WeakPolarHBondContact O-CB 3.44Å; Y160-A163 PolarHBondContact O-N 3.12Å; A163-P165 WeakPolarHBondContact O-CD 3.3Å |
| 164 | K | 91.6 | Very high | 77.8 | Confident | 116 Ų | 116 | 75.7 Ų | 75.7 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 119.9 | 175.8 | -174.6 | 174.9 | -170.5 | 170.5 | 0 | 110.3 | Y200 | K164-Y200 HydrophobicContact CB-CD1 4.24Å; K164-Y200 HydrophobicContact CB-CD2 4.33Å; K164-Y200 HydrophobicContact CB-CE1 3.85Å; K164-Y200 HydrophobicContact CB-CE2 3.94Å; K164-Y200 HydrophobicContact CB-CG 4.47Å; K164-Y200 HydrophobicContact CD-CE1 4.24Å; K164-Y200 HydrophobicContact CG-CD1 4.28Å; K164-Y200 HydrophobicContact CG-CE1 3.64Å |
| 165 | P | 91.7 | Very high | 79.8 | Confident | 15 Ų | 15 | 72.9 Ų | 72.9 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 145.9 | -179.6 | -22.6 | 33.8 | 0 | 0 | 0 | 112.3 | A163 Y167 F198 Y201 | A163-P165 WeakPolarHBondContact O-CD 3.3Å; P165-Y167 HydrophobicContact CB-CD2 3.72Å; P165-Y167 HydrophobicContact CB-CE2 4.38Å; P165-Y167 PolarHBondContact O-N 3.04Å; P165-F198 HydrophobicContact CB-CD1 4Å; P165-F198 HydrophobicContact CB-CE1 4.07Å; P165-F198 HydrophobicContact CB-CG 4.31Å; P165-F198 HydrophobicContact CB-CZ 4.44Å; P165-F198 HydrophobicContact CG-CB 3.75Å; P165-F198 HydrophobicContact CG-CD1 3.41Å; P165-F198 VanDerWaalsContact CG-CD1 3.41Å; P165-F198 HydrophobicContact CG-CD2 4.16Å; P165-F198 HydrophobicContact CG-CE1 4.01Å; P165-F198 HydrophobicContact CG-CG 3.5Å; P165-Y201 HydrophobicContact CG-CE2 3.98Å |
| 166 | P | 90.3 | Very high | 81.9 | Confident | 111 Ų | 111 | 69.7 Ų | 69.7 | 72% | 0.721 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -77.4 | 36.6 | 179.9 | 34.3 | -37.5 | 0 | 0 | 0 | 113.2 | ||
| 167 | Y | 92.7 | Very high | 84.2 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | trans | -114.1 | 141.9 | -176.3 | -63 | -56.8 | 0 | 0 | 0 | 111.4 | P165 L172 M175 F198 | P165-Y167 HydrophobicContact CB-CD2 3.72Å; P165-Y167 HydrophobicContact CB-CE2 4.38Å; P165-Y167 PolarHBondContact O-N 3.04Å; Y167-L172 HydrophobicContact CD2-CD2 4.42Å; Y167-M175 HydrophobicContact CD1-CE 4.41Å; Y167-M175 HydrophobicContact CD2-CE 3.99Å; Y167-M175 HydrophobicContact CE2-CE 4.34Å; Y167-M175 HydrophobicContact CG-CE 4.03Å; Y167-F198 HydrophobicContact CD2-CE1 4.26Å; Y167-F198 HydrophobicContact CD2-CE2 4.14Å; Y167-F198 AromaticContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CE2-CE1 4.02Å; Y167-F198 HydrophobicContact CE2-CE2 4.45Å; Y167-F198 AromaticContact CE2-CZ 3.55Å; Y167-F198 HydrophobicContact CE2-CZ 3.55Å | ||
| 168 | S | 93.8 | Very high | 86.2 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | trans | -75.7 | 158.1 | 172.6 | 82.8 | 0 | 0 | 0 | 0 | 111 | I170 S171 L172 | S168-I170 PolarHBondContact O-N 3.35Å; S168-I170 PolarHBondContact OG-N 2.98Å; S168-S171 PolarHBondContact N-OG 3.03Å; S168-S171 WeakPolarHBondContact O-CA 3.46Å; S168-S171 VanDerWaalsContact O-CB 3.28Å; S168-S171 WeakPolarHBondContact O-CB 3.36Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact OG-N 3.32Å; S168-S171 VanDerWaalsContact OG-N 3.12Å; S168-S171 PolarHBondContact OG-OG 3.46Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 3.34Å | ||
| 169 | Y | 96.1 | Very high | 88.1 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.6 | -33.8 | 173.4 | -63.6 | -59.3 | 0 | 0 | 0 | 112.9 | L172 I173 Y201 W208 S211 I212 S215 | Y169-L172 HydrophobicContact CD1-CD1 4.22Å; Y169-L172 PolarHBondContact O-N 3.38Å; Y169-I173 VanDerWaalsContact O-CD1 3.31Å; Y169-I173 WeakPolarHBondContact O-CD1 3.21Å; Y169-I173 WeakPolarHBondContact O-CG1 3.49Å; Y169-I173 PolarHBondContact O-N 2.79Å; Y169-I173 VanDerWaalsContact O-N 3.08Å; Y169-Y201 HydrophobicContact CE1-CE1 4.5Å; Y169-W208 HydrophobicContact CE1-CB 4.29Å; Y169-S211 VanDerWaalsContact CZ-CB 3.48Å; Y169-I212 HydrophobicContact CD1-CD1 3.84Å; Y169-I212 HydrophobicContact CG-CD1 4.43Å; Y169-S215 WeakPolarHBondContact CB-OG 3.38Å |
| 170 | I | 94 | Very high | 90.1 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 173.3 | -56.7 | 176.1 | 0 | 0 | 0 | 109.6 | S168 L172 I173 T174 F222 F248 | S168-I170 PolarHBondContact O-N 3.35Å; S168-I170 PolarHBondContact OG-N 2.98Å; I170-L172 PolarHBondContact O-N 3.35Å; I170-I173 PolarHBondContact O-N 3.36Å; I170-T174 WeakPolarHBondContact O-CB 3.44Å; I170-T174 PolarHBondContact O-N 3.13Å; I170-T174 PolarHBondContact O-OG1 3.26Å; I170-T174 VanDerWaalsContact O-OG1 3.11Å; I170-F222 HydrophobicContact CB-CE2 4.45Å; I170-F222 HydrophobicContact CB-CZ 4.42Å; I170-F222 HydrophobicContact CG1-CE2 4.48Å; I170-F222 HydrophobicContact CG2-CE2 4.03Å; I170-F222 HydrophobicContact CG2-CZ 3.78Å; I170-F248 HydrophobicContact CG2-CE1 4.15Å; I170-F248 HydrophobicContact CG2-CZ 3.8Å |
| 171 | S | 93.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 178.7 | -40.7 | 0 | 0 | 0 | 0 | 112.2 | S168 T174 M175 Y253 | S168-S171 PolarHBondContact N-OG 3.03Å; S168-S171 WeakPolarHBondContact O-CA 3.46Å; S168-S171 VanDerWaalsContact O-CB 3.28Å; S168-S171 WeakPolarHBondContact O-CB 3.36Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact OG-N 3.32Å; S168-S171 VanDerWaalsContact OG-N 3.12Å; S168-S171 PolarHBondContact OG-OG 3.46Å; S171-T174 PolarHBondContact O-N 3.28Å; S171-M175 WeakPolarHBondContact O-CG 3.5Å; S171-M175 PolarHBondContact O-N 3.23Å; S171-Y253 VanDerWaalsContact CB-O 3.24Å; S171-Y253 WeakPolarHBondContact CB-O 3.34Å; S171-Y253 PolarHBondContact OG-O 3.18Å |
| 172 | L | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 177.6 | -67.6 | 174 | 0 | 0 | 0 | 112 | Y167 S168 Y169 I170 M175 A176 I194 F198 Y201 | Y167-L172 HydrophobicContact CD2-CD2 4.42Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 3.34Å; Y169-L172 HydrophobicContact CD1-CD1 4.22Å; Y169-L172 PolarHBondContact O-N 3.38Å; I170-L172 PolarHBondContact O-N 3.35Å; L172-M175 HydrophobicContact CD2-CE 3.88Å; L172-M175 PolarHBondContact O-N 3.26Å; L172-A176 PolarHBondContact O-N 3.5Å; L172-I194 HydrophobicContact CB-CD1 3.9Å; L172-I194 HydrophobicContact CB-CG1 4.21Å; L172-I194 HydrophobicContact CD1-CG2 4.46Å; L172-F198 HydrophobicContact CD2-CD2 3.7Å; L172-F198 HydrophobicContact CD2-CE2 3.46Å; L172-F198 VanDerWaalsContact CD2-CE2 3.46Å; L172-F198 HydrophobicContact CD2-CZ 4.49Å; L172-Y201 HydrophobicContact CD1-CE2 3.9Å |
| 173 | I | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 177.1 | -64.7 | 160.9 | 0 | 0 | 0 | 110.6 | Y169 I170 A176 I177 I190 I212 L216 F222 | Y169-I173 VanDerWaalsContact O-CD1 3.31Å; Y169-I173 WeakPolarHBondContact O-CD1 3.21Å; Y169-I173 WeakPolarHBondContact O-CG1 3.49Å; Y169-I173 PolarHBondContact O-N 2.79Å; Y169-I173 VanDerWaalsContact O-N 3.08Å; I170-I173 PolarHBondContact O-N 3.36Å; I173-A176 WeakPolarHBondContact O-CB 3.36Å; I173-A176 PolarHBondContact O-N 2.78Å; I173-I177 HydrophobicContact CG2-CD1 3.76Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.31Å; I173-I190 HydrophobicContact CG1-CG2 4.15Å; I173-I190 HydrophobicContact CG2-CD1 4.38Å; I173-I212 HydrophobicContact CD1-CD1 4.08Å; I173-I212 HydrophobicContact CD1-CG2 4.24Å; I173-I212 HydrophobicContact CG1-CD1 3.91Å; I173-I212 HydrophobicContact CG1-CG2 4.3Å; I173-L216 HydrophobicContact CD1-CD2 4.06Å; I173-L216 HydrophobicContact CD1-CG 4.02Å; I173-L216 HydrophobicContact CG2-CD2 3.72Å; I173-F222 HydrophobicContact CB-CE1 4.03Å; I173-F222 HydrophobicContact CB-CE2 4.25Å; I173-F222 HydrophobicContact CB-CZ 3.69Å; I173-F222 HydrophobicContact CD1-CE2 3.99Å; I173-F222 HydrophobicContact CD1-CZ 4.3Å; I173-F222 HydrophobicContact CG2-CD1 3.84Å; I173-F222 HydrophobicContact CG2-CD2 4.48Å; I173-F222 HydrophobicContact CG2-CE1 3.4Å; I173-F222 HydrophobicContact CG2-CE2 4.08Å; I173-F222 HydrophobicContact CG2-CG 4.37Å; I173-F222 HydrophobicContact CG2-CZ 3.53Å |
| 174 | T | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.7 | -64 | 0 | 0 | 0 | 0 | 111.8 | I170 S171 A176 I177 Q178 L240 F248 | I170-T174 WeakPolarHBondContact O-CB 3.44Å; I170-T174 PolarHBondContact O-N 3.13Å; I170-T174 PolarHBondContact O-OG1 3.26Å; I170-T174 VanDerWaalsContact O-OG1 3.11Å; S171-T174 PolarHBondContact O-N 3.28Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 2.87Å; T174-I177 PolarHBondContact O-N 2.99Å; T174-Q178 HydrophobicContact CG2-CG 4.01Å; T174-Q178 VanDerWaalsContact O-CB 3.32Å; T174-Q178 WeakPolarHBondContact O-CB 3.38Å; T174-Q178 WeakPolarHBondContact O-CG 3.15Å; T174-Q178 PolarHBondContact O-N 3.08Å; T174-L240 HydrophobicContact CG2-CD1 4.35Å; T174-L240 HydrophobicContact CG2-CD2 4.19Å; T174-F248 HydrophobicContact CG2-CB 3.93Å; T174-F248 HydrophobicContact CG2-CD1 3.87Å; T174-F248 HydrophobicContact CG2-CD2 3.74Å; T174-F248 HydrophobicContact CG2-CE1 4.23Å; T174-F248 HydrophobicContact CG2-CE2 4.11Å; T174-F248 HydrophobicContact CG2-CG 3.61Å; T174-F248 HydrophobicContact CG2-CZ 4.34Å; T174-F248 WeakPolarHBondContact OG1-CZ 3.39Å |
| 175 | M | 94.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 175.4 | -74.1 | -174.2 | -66.9 | 0 | 0 | 111.8 | Y167 S171 L172 Q178 Q179 F193 F198 Y253 | Y167-M175 HydrophobicContact CD1-CE 4.41Å; Y167-M175 HydrophobicContact CD2-CE 3.99Å; Y167-M175 HydrophobicContact CE2-CE 4.34Å; Y167-M175 HydrophobicContact CG-CE 4.03Å; S171-M175 WeakPolarHBondContact O-CG 3.5Å; S171-M175 PolarHBondContact O-N 3.23Å; L172-M175 HydrophobicContact CD2-CE 3.88Å; L172-M175 PolarHBondContact O-N 3.26Å; M175-Q178 PolarHBondContact O-N 2.88Å; M175-Q179 WeakPolarHBondContact O-CB 3.22Å; M175-Q179 WeakPolarHBondContact O-CG 3.46Å; M175-Q179 PolarHBondContact O-N 3.13Å; M175-F193 HydrophobicContact CB-CE1 4.17Å; M175-F193 HydrophobicContact CB-CZ 4.34Å; M175-F198 HydrophobicContact CE-CE2 4.07Å; M175-F198 HydrophobicContact CE-CZ 4.33Å; M175-Y253 HydrophobicContact CG-CD1 3.65Å; M175-Y253 HydrophobicContact CG-CE1 3.33Å; M175-Y253 HydrophobicContact CG-CG 4.39Å; M175-Y253 HydrophobicContact SD-CD1 4.14Å; M175-Y253 HydrophobicContact SD-CE1 4.22Å; M175-Y253 HydrophobicContact SD-CG 4.31Å |
| 176 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.1 | -50.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L172 I173 T174 Q179 S180 L185 I190 F193 | L172-A176 PolarHBondContact O-N 3.5Å; I173-A176 WeakPolarHBondContact O-CB 3.36Å; I173-A176 PolarHBondContact O-N 2.78Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 2.87Å; A176-Q179 PolarHBondContact O-N 2.73Å; A176-S180 PolarHBondContact O-N 3.03Å; A176-S180 VanDerWaalsContact O-N 3.1Å; A176-L185 HydrophobicContact CB-CD1 3.75Å; A176-L185 WeakPolarHBondContact O-CD1 3.47Å; A176-I190 HydrophobicContact CB-CG1 4.48Å; A176-F193 VanDerWaalsContact CA-CE1 3.48Å; A176-F193 HydrophobicContact CB-CB 4.14Å; A176-F193 HydrophobicContact CB-CD1 3.35Å; A176-F193 HydrophobicContact CB-CD2 4.24Å; A176-F193 HydrophobicContact CB-CE1 3.75Å; A176-F193 HydrophobicContact CB-CG 3.64Å; A176-F193 HydrophobicContact CB-CZ 4.34Å |
| 177 | I | 95.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | -179.1 | -65.1 | 174.1 | 0 | 0 | 0 | 111.1 | I173 T174 S180 K183 F222 L240 | I173-I177 HydrophobicContact CG2-CD1 3.76Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.31Å; T174-I177 PolarHBondContact O-N 2.99Å; I177-S180 PolarHBondContact O-N 3.43Å; I177-S180 PolarHBondContact O-OG 2.97Å; I177-K183 VanDerWaalsContact CG2-O 3.28Å; I177-K183 WeakPolarHBondContact CG2-O 3.42Å; I177-F222 HydrophobicContact CD1-CD1 4.15Å; I177-F222 HydrophobicContact CD1-CE1 4.36Å; I177-L240 HydrophobicContact CG2-CB 4.2Å |
| 178 | Q | 93.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 42 Ų | 42 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.2 | -35.6 | 179.1 | -76.8 | 178.3 | -38.6 | 0 | 0 | 113.2 | T174 M175 K183 L240 Y253 | T174-Q178 HydrophobicContact CG2-CG 4.01Å; T174-Q178 VanDerWaalsContact O-CB 3.32Å; T174-Q178 WeakPolarHBondContact O-CB 3.38Å; T174-Q178 WeakPolarHBondContact O-CG 3.15Å; T174-Q178 PolarHBondContact O-N 3.08Å; M175-Q178 PolarHBondContact O-N 2.88Å; Q178-K183 PolarHBondContact O-NZ 3.4Å; Q178-L240 HydrophobicContact CG-CD2 4.49Å; Q178-Y253 PolarHBondContact OE1-OH 2.79Å |
| 179 | Q | 94.3 | Very high | 95.8 | Very high | 131 Ų | 131 | 43.9 Ų | 43.9 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -79.9 | -18 | 177.3 | -68.3 | -175.7 | 11.2 | 0 | 0 | 113.1 | M175 A176 F193 | M175-Q179 WeakPolarHBondContact O-CB 3.22Å; M175-Q179 WeakPolarHBondContact O-CG 3.46Å; M175-Q179 PolarHBondContact O-N 3.13Å; A176-Q179 PolarHBondContact O-N 2.73Å; Q179-F193 HydrophobicContact CB-CE2 3.98Å; Q179-F193 HydrophobicContact CB-CZ 4.33Å; Q179-F193 HydrophobicContact CG-CZ 4.44Å; Q179-F193 VanDerWaalsContact OE1-CE2 3.25Å; Q179-F193 VanDerWaalsContact OE1-CZ 3.28Å |
| 180 | S | 95.5 | Very high | 95.9 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -65.5 | 134.4 | 169.1 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | A176 I177 S182 K183 M184 | A176-S180 PolarHBondContact O-N 3.03Å; A176-S180 VanDerWaalsContact O-N 3.1Å; I177-S180 PolarHBondContact O-N 3.43Å; I177-S180 PolarHBondContact O-OG 2.97Å; S180-S182 VanDerWaalsContact C-N 3.29Å; S180-S182 PolarHBondContact O-N 3.33Å; S180-K183 PolarHBondContact O-N 3.23Å; S180-K183 VanDerWaalsContact OG-CA 3.3Å; S180-K183 WeakPolarHBondContact OG-CA 3.45Å; S180-K183 PolarHBondContact OG-N 2.88Å; S180-M184 PolarHBondContact OG-N 3.1Å |
| 181 | S | 96.2 | Very high | 96.1 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 88% | 0.881 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -34.5 | 178 | 51.9 | 0 | 0 | 0 | 0 | 112.6 | K183 | S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.45Å |
| 182 | S | 95.1 | Very high | 96.3 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 43% | 0.427 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -9.2 | 176.5 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | S180 M184 | S180-S182 VanDerWaalsContact C-N 3.29Å; S180-S182 PolarHBondContact O-N 3.33Å; S182-M184 PolarHBondContact O-N 2.87Å; S182-M184 VanDerWaalsContact O-N 3.08Å; S182-M184 PolarHBondContact OG-N 3.49Å; S182-M184 PolarHBondContact OG-O 2.96Å |
| 183 | K | 95.1 | Very high | 96.4 | Very high | 124 Ų | 124 | 47.1 Ų | 47.1 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 51.3 | 25.4 | -168.9 | -53.1 | -63.8 | 172.9 | 179.5 | 0 | 113.8 | I177 Q178 S180 S181 | I177-K183 VanDerWaalsContact CG2-O 3.28Å; I177-K183 WeakPolarHBondContact CG2-O 3.42Å; Q178-K183 PolarHBondContact O-NZ 3.4Å; S180-K183 PolarHBondContact O-N 3.23Å; S180-K183 VanDerWaalsContact OG-CA 3.3Å; S180-K183 WeakPolarHBondContact OG-CA 3.45Å; S180-K183 PolarHBondContact OG-N 2.88Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.45Å |
| 184 | M | 95.8 | Very high | 96.5 | Very high | 62 Ų | 62 | 47.1 Ų | 47.1 | 31% | 0.305 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 136.3 | 177.5 | 76.4 | -175 | 73.4 | 0 | 0 | 111 | S180 S182 F237 W238 T239 | S180-M184 PolarHBondContact OG-N 3.1Å; S182-M184 PolarHBondContact O-N 2.87Å; S182-M184 VanDerWaalsContact O-N 3.08Å; S182-M184 PolarHBondContact OG-N 3.49Å; S182-M184 PolarHBondContact OG-O 2.96Å; M184-F237 HydrophobicContact CB-CB 4.36Å; M184-F237 HydrophobicContact CG-CB 4.29Å; M184-F237 HydrophobicContact CG-CD1 4.01Å; M184-F237 HydrophobicContact CG-CG 4.18Å; M184-F237 HydrophobicContact SD-CB 4.17Å; M184-F237 HydrophobicContact SD-CD1 4.31Å; M184-F237 HydrophobicContact SD-CD2 4.22Å; M184-F237 HydrophobicContact SD-CG 3.99Å; M184-W238 WeakPolarHBondContact CA-O 3.35Å; M184-T239 HydrophobicContact CB-CG2 3.49Å; M184-T239 VanDerWaalsContact CB-CG2 3.49Å |
| 185 | L | 97.7 | Very high | 96.5 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 150.1 | 178.5 | -69.8 | -178.2 | 0 | 0 | 0 | 111.5 | A176 E189 I190 W238 | A176-L185 HydrophobicContact CB-CD1 3.75Å; A176-L185 WeakPolarHBondContact O-CD1 3.47Å; L185-E189 HydrophobicContact CB-CB 4.26Å; L185-E189 HydrophobicContact CD2-CB 3.94Å; L185-E189 HydrophobicContact CG-CB 4.47Å; L185-I190 HydrophobicContact CB-CD1 4.32Å; L185-I190 HydrophobicContact CB-CG1 3.84Å; L185-I190 HydrophobicContact CD1-CG1 4.14Å; L185-W238 PolarHBondContact N-O 2.87Å; L185-W238 VanDerWaalsContact N-O 3.09Å; L185-W238 PolarHBondContact O-N 3.21Å |
| 186 | T | 97.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 163.6 | 167.1 | 69 | 0 | 0 | 0 | 0 | 111.1 | S188 E189 I190 F237 | T186-S188 PolarHBondContact O-N 2.92Å; T186-E189 WeakPolarHBondContact CA-OE2 3.31Å; T186-E189 WeakPolarHBondContact CB-OE2 3.36Å; T186-E189 VanDerWaalsContact CG2-OE2 3.23Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.47Å; T186-E189 PolarHBondContact N-OE2 2.81Å; T186-E189 PolarHBondContact O-N 2.83Å; T186-E189 PolarHBondContact OG1-N 3.29Å; T186-E189 PolarHBondContact OG1-OE2 2.94Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 2.91Å; T186-I190 VanDerWaalsContact O-N 3.12Å; T186-F237 HydrophobicContact CG2-CD1 3.68Å; T186-F237 HydrophobicContact CG2-CE1 3.68Å |
| 187 | L | 98 | Very high | 96.6 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.272 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53.9 | -37 | 174.9 | -178.8 | 64.6 | 0 | 0 | 0 | 112.8 | Y191 I212 R213 L216 | L187-Y191 HydrophobicContact CD1-CD1 4.37Å; L187-Y191 HydrophobicContact CD1-CE1 3.56Å; L187-Y191 HydrophobicContact CG-CE1 4Å; L187-Y191 HydrophobicContact CG-CE2 4.1Å; L187-Y191 WeakPolarHBondContact O-CD1 3.37Å; L187-Y191 PolarHBondContact O-N 3.05Å; L187-I212 HydrophobicContact CD1-CG2 4.1Å; L187-R213 HydrophobicContact CD1-CG 4.12Å; L187-R213 HydrophobicContact CD2-CG 3.98Å; L187-L216 HydrophobicContact CD1-CD1 3.57Å |
| 188 | S | 97.6 | Very high | 96.5 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.1 | -40 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | T186 Y191 Q192 | T186-S188 PolarHBondContact O-N 2.92Å; S188-Y191 WeakPolarHBondContact O-CB 3.3Å; S188-Y191 PolarHBondContact O-N 3.33Å; S188-Q192 PolarHBondContact O-N 3.28Å; S188-Q192 VanDerWaalsContact O-N 3.15Å |
| 189 | E | 98 | Very high | 96.5 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.8 | -36.8 | 178.2 | -68.6 | 151.2 | 141.9 | 0 | 0 | 111.2 | L185 T186 Y191 Q192 F193 | L185-E189 HydrophobicContact CB-CB 4.26Å; L185-E189 HydrophobicContact CD2-CB 3.94Å; L185-E189 HydrophobicContact CG-CB 4.47Å; T186-E189 WeakPolarHBondContact CA-OE2 3.31Å; T186-E189 WeakPolarHBondContact CB-OE2 3.36Å; T186-E189 VanDerWaalsContact CG2-OE2 3.23Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.47Å; T186-E189 PolarHBondContact N-OE2 2.81Å; T186-E189 PolarHBondContact O-N 2.83Å; T186-E189 PolarHBondContact OG1-N 3.29Å; T186-E189 PolarHBondContact OG1-OE2 2.94Å; E189-Y191 VanDerWaalsContact C-N 3.27Å; E189-Y191 PolarHBondContact O-N 3.15Å; E189-Q192 PolarHBondContact O-N 3Å; E189-F193 WeakPolarHBondContact O-CB 3.49Å; E189-F193 PolarHBondContact O-N 3.19Å |
| 190 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 171.7 | -65.5 | 164.3 | 0 | 0 | 0 | 111.1 | I173 A176 L185 T186 I194 I212 L216 W238 | I173-I190 HydrophobicContact CG1-CG2 4.15Å; I173-I190 HydrophobicContact CG2-CD1 4.38Å; A176-I190 HydrophobicContact CB-CG1 4.48Å; L185-I190 HydrophobicContact CB-CD1 4.32Å; L185-I190 HydrophobicContact CB-CG1 3.84Å; L185-I190 HydrophobicContact CD1-CG1 4.14Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 2.91Å; T186-I190 VanDerWaalsContact O-N 3.12Å; I190-I194 HydrophobicContact CG2-CD1 3.91Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.27Å; I190-I194 PolarHBondContact O-N 3.14Å; I190-I212 HydrophobicContact CG2-CG2 3.91Å; I190-L216 HydrophobicContact CD1-CD1 4.3Å; I190-L216 HydrophobicContact CD1-CD2 4.29Å; I190-W238 HydrophobicContact CD1-CB 4.38Å |
| 191 | Y | 98.2 | Very high | 96.6 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 176.1 | -65.4 | -13.7 | 0 | 0 | 0 | 112.3 | L187 S188 E189 M195 W208 Q209 I212 R213 | L187-Y191 HydrophobicContact CD1-CD1 4.37Å; L187-Y191 HydrophobicContact CD1-CE1 3.56Å; L187-Y191 HydrophobicContact CG-CE1 4Å; L187-Y191 HydrophobicContact CG-CE2 4.1Å; L187-Y191 WeakPolarHBondContact O-CD1 3.37Å; L187-Y191 PolarHBondContact O-N 3.05Å; S188-Y191 WeakPolarHBondContact O-CB 3.3Å; S188-Y191 PolarHBondContact O-N 3.33Å; E189-Y191 VanDerWaalsContact C-N 3.27Å; E189-Y191 PolarHBondContact O-N 3.15Å; Y191-M195 WeakPolarHBondContact O-CG 3.28Å; Y191-M195 PolarHBondContact O-N 3.2Å; Y191-W208 HydrophobicContact CD1-CH2 4.24Å; Y191-W208 AromaticContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CE1-CZ3 4.45Å; Y191-W208 HydrophobicContact CG-CH2 4.34Å; Y191-W208 HydrophobicContact CG-CZ3 4.44Å; Y191-Q209 HydrophobicContact CD1-CG 3.96Å; Y191-Q209 HydrophobicContact CD2-CG 4.03Å; Y191-Q209 HydrophobicContact CE1-CB 3.91Å; Y191-Q209 HydrophobicContact CE1-CG 3.77Å; Y191-Q209 HydrophobicContact CE2-CB 4.14Å; Y191-Q209 HydrophobicContact CE2-CG 3.85Å; Y191-Q209 HydrophobicContact CG-CG 4.08Å; Y191-Q209 PolarHBondContact OH-O 3.23Å; Y191-I212 HydrophobicContact CD1-CG2 4.19Å; Y191-I212 HydrophobicContact CE1-CB 3.94Å; Y191-I212 HydrophobicContact CE1-CG2 3.76Å; Y191-R213 VanDerWaalsContact OH-CG 3.31Å; Y191-R213 WeakPolarHBondContact OH-CG 3.43Å; Y191-R213 PolarHBondContact OH-NH1 2.92Å; Y191-R213 VanDerWaalsContact OH-NH1 3.08Å |
| 192 | Q | 97.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -50.6 | 179.2 | -57.5 | -61.9 | 18.7 | 0 | 0 | 110.9 | S188 E189 I194 M195 D196 | S188-Q192 PolarHBondContact O-N 3.28Å; S188-Q192 VanDerWaalsContact O-N 3.15Å; E189-Q192 PolarHBondContact O-N 3Å; Q192-I194 VanDerWaalsContact C-N 3.26Å; Q192-I194 PolarHBondContact O-N 2.91Å; Q192-I194 VanDerWaalsContact O-N 3.14Å; Q192-M195 CarbonylContact O-C 3.56Å; Q192-M195 WeakPolarHBondContact O-CA 3.26Å; Q192-M195 PolarHBondContact O-N 3.02Å; Q192-D196 WeakPolarHBondContact O-CB 3.42Å; Q192-D196 VanDerWaalsContact O-CG 3.29Å; Q192-D196 PolarHBondContact O-N 3.14Å |
| 193 | F | 98.1 | Very high | 96.5 | Very high | 41 Ų | 41 | 58 Ų | 58 | 18% | 0.18 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -49.6 | -45.3 | 178.4 | 179.2 | -85 | 0 | 0 | 0 | 113 | M175 A176 Q179 E189 L197 | M175-F193 HydrophobicContact CB-CE1 4.17Å; M175-F193 HydrophobicContact CB-CZ 4.34Å; A176-F193 VanDerWaalsContact CA-CE1 3.48Å; A176-F193 HydrophobicContact CB-CB 4.14Å; A176-F193 HydrophobicContact CB-CD1 3.35Å; A176-F193 HydrophobicContact CB-CD2 4.24Å; A176-F193 HydrophobicContact CB-CE1 3.75Å; A176-F193 HydrophobicContact CB-CG 3.64Å; A176-F193 HydrophobicContact CB-CZ 4.34Å; Q179-F193 HydrophobicContact CB-CE2 3.98Å; Q179-F193 HydrophobicContact CB-CZ 4.33Å; Q179-F193 HydrophobicContact CG-CZ 4.44Å; Q179-F193 VanDerWaalsContact OE1-CE2 3.25Å; Q179-F193 VanDerWaalsContact OE1-CZ 3.28Å; E189-F193 WeakPolarHBondContact O-CB 3.49Å; E189-F193 PolarHBondContact O-N 3.19Å; F193-L197 HydrophobicContact CE1-CD2 3.8Å; F193-L197 HydrophobicContact CZ-CD2 3.91Å; F193-L197 VanDerWaalsContact O-CB 3.3Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.48Å |
| 194 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 179.6 | -68 | 171.3 | 0 | 0 | 0 | 111.5 | L172 I190 Q192 F198 Y201 W208 I212 | L172-I194 HydrophobicContact CB-CD1 3.9Å; L172-I194 HydrophobicContact CB-CG1 4.21Å; L172-I194 HydrophobicContact CD1-CG2 4.46Å; I190-I194 HydrophobicContact CG2-CD1 3.91Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.27Å; I190-I194 PolarHBondContact O-N 3.14Å; Q192-I194 VanDerWaalsContact C-N 3.26Å; Q192-I194 PolarHBondContact O-N 2.91Å; Q192-I194 VanDerWaalsContact O-N 3.14Å; I194-F198 WeakPolarHBondContact O-CB 3.37Å; I194-F198 PolarHBondContact O-N 3.26Å; I194-Y201 HydrophobicContact CG2-CD2 3.42Å; I194-Y201 VanDerWaalsContact CG2-CD2 3.42Å; I194-Y201 HydrophobicContact CG2-CE2 4.04Å; I194-Y201 HydrophobicContact CG2-CG 3.73Å; I194-W208 HydrophobicContact CG2-CZ3 4.41Å; I194-I212 HydrophobicContact CD1-CD1 3.59Å; I194-I212 HydrophobicContact CD1-CG1 4.18Å |
| 195 | M | 96.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.3 | -30.8 | 177.8 | -70.5 | -170.3 | -59.5 | 0 | 0 | 113.2 | Y191 Q192 R202 Q205 W208 | Y191-M195 WeakPolarHBondContact O-CG 3.28Å; Y191-M195 PolarHBondContact O-N 3.2Å; Q192-M195 CarbonylContact O-C 3.56Å; Q192-M195 WeakPolarHBondContact O-CA 3.26Å; Q192-M195 PolarHBondContact O-N 3.02Å; M195-R202 HydrophobicContact CB-CG 4.02Å; M195-R202 HydrophobicContact CG-CG 4.34Å; M195-R202 VanDerWaalsContact O-CZ 3.26Å; M195-R202 PolarHBondContact O-NE 2.73Å; M195-R202 PolarHBondContact O-NH2 3.08Å; M195-Q205 HydrophobicContact SD-CG 4.25Å; M195-Q205 PolarHBondContact SD-NE2 3.13Å; M195-W208 HydrophobicContact CG-CH2 3.93Å; M195-W208 HydrophobicContact CG-CZ2 3.67Å; M195-W208 HydrophobicContact SD-CH2 4.29Å; M195-W208 HydrophobicContact SD-CZ2 3.81Å |
| 196 | D | 96.4 | Very high | 96.4 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 57% | 0.572 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.9 | -49.4 | 177.7 | -68.2 | -32.3 | 0 | 0 | 0 | 110.7 | Q192 R202 | Q192-D196 WeakPolarHBondContact O-CB 3.42Å; Q192-D196 VanDerWaalsContact O-CG 3.29Å; Q192-D196 PolarHBondContact O-N 3.14Å; D196-R202 PolarHBondContact O-NH2 3.12Å |
| 197 | L | 95 | Very high | 96.3 | Very high | 79 Ų | 79 | 71 Ų | 71 | 41% | 0.414 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.2 | -34.2 | -179.6 | -174.3 | 60.1 | 0 | 0 | 0 | 113.4 | F193 | F193-L197 HydrophobicContact CE1-CD2 3.8Å; F193-L197 HydrophobicContact CZ-CD2 3.91Å; F193-L197 VanDerWaalsContact O-CB 3.3Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.48Å |
| 198 | F | 94.7 | Very high | 96.3 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | trans | -132.2 | 90.7 | -175.1 | -59.9 | -62.2 | 0 | 0 | 0 | 111.9 | P165 Y167 L172 M175 I194 Y200 Y201 | P165-F198 HydrophobicContact CB-CD1 4Å; P165-F198 HydrophobicContact CB-CE1 4.07Å; P165-F198 HydrophobicContact CB-CG 4.31Å; P165-F198 HydrophobicContact CB-CZ 4.44Å; P165-F198 HydrophobicContact CG-CB 3.75Å; P165-F198 HydrophobicContact CG-CD1 3.41Å; P165-F198 VanDerWaalsContact CG-CD1 3.41Å; P165-F198 HydrophobicContact CG-CD2 4.16Å; P165-F198 HydrophobicContact CG-CE1 4.01Å; P165-F198 HydrophobicContact CG-CG 3.5Å; Y167-F198 HydrophobicContact CD2-CE1 4.26Å; Y167-F198 HydrophobicContact CD2-CE2 4.14Å; Y167-F198 AromaticContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CE2-CE1 4.02Å; Y167-F198 HydrophobicContact CE2-CE2 4.45Å; Y167-F198 AromaticContact CE2-CZ 3.55Å; Y167-F198 HydrophobicContact CE2-CZ 3.55Å; L172-F198 HydrophobicContact CD2-CD2 3.7Å; L172-F198 HydrophobicContact CD2-CE2 3.46Å; L172-F198 VanDerWaalsContact CD2-CE2 3.46Å; L172-F198 HydrophobicContact CD2-CZ 4.49Å; M175-F198 HydrophobicContact CE-CE2 4.07Å; M175-F198 HydrophobicContact CE-CZ 4.33Å; I194-F198 WeakPolarHBondContact O-CB 3.37Å; I194-F198 PolarHBondContact O-N 3.26Å; F198-Y200 PolarHBondContact O-N 2.64Å; F198-Y201 HydrophobicContact CB-CD2 3.83Å; F198-Y201 HydrophobicContact CB-CE2 4.21Å; F198-Y201 PolarHBondContact O-N 3.25Å | ||
| 199 | P | 94.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 67 Ų | 67 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -53.3 | -25.4 | -175.8 | -30 | 36 | 0 | 0 | 0 | 116.3 | Y201 R202 | P199-Y201 PolarHBondContact O-N 3.4Å; P199-R202 WeakPolarHBondContact O-CB 3.47Å; P199-R202 WeakPolarHBondContact O-CG 3.4Å; P199-R202 PolarHBondContact O-N 3.06Å; P199-R202 VanDerWaalsContact O-N 3.07Å |
| 200 | Y | 95.5 | Very high | 96.3 | Very high | 76 Ų | 76 | 67.2 Ų | 67.2 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -45.9 | -42.2 | 170.2 | 171.7 | -103.3 | 0 | 0 | 0 | 113.2 | H162 K164 F198 R202 | H162-Y200 WeakPolarHBondContact O-CD2 3.43Å; K164-Y200 HydrophobicContact CB-CD1 4.24Å; K164-Y200 HydrophobicContact CB-CD2 4.33Å; K164-Y200 HydrophobicContact CB-CE1 3.85Å; K164-Y200 HydrophobicContact CB-CE2 3.94Å; K164-Y200 HydrophobicContact CB-CG 4.47Å; K164-Y200 HydrophobicContact CD-CE1 4.24Å; K164-Y200 HydrophobicContact CG-CD1 4.28Å; K164-Y200 HydrophobicContact CG-CE1 3.64Å; F198-Y200 PolarHBondContact O-N 2.64Å; Y200-R202 VanDerWaalsContact C-N 3.26Å; Y200-R202 PolarHBondContact O-N 3.02Å |
| 201 | Y | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78.3 | 0.2 | -176.4 | -66.5 | -69.7 | 0 | 0 | 0 | 114.5 | P165 Y169 L172 I194 F198 P199 Q203 W208 | P165-Y201 HydrophobicContact CG-CE2 3.98Å; Y169-Y201 HydrophobicContact CE1-CE1 4.5Å; L172-Y201 HydrophobicContact CD1-CE2 3.9Å; I194-Y201 HydrophobicContact CG2-CD2 3.42Å; I194-Y201 VanDerWaalsContact CG2-CD2 3.42Å; I194-Y201 HydrophobicContact CG2-CE2 4.04Å; I194-Y201 HydrophobicContact CG2-CG 3.73Å; F198-Y201 HydrophobicContact CB-CD2 3.83Å; F198-Y201 HydrophobicContact CB-CE2 4.21Å; F198-Y201 PolarHBondContact O-N 3.25Å; P199-Y201 PolarHBondContact O-N 3.4Å; Y201-Q203 PolarHBondContact O-N 3.39Å; Y201-W208 HydrophobicContact CD1-CB 4.11Å; Y201-W208 AromaticContact CD1-CD1 3.79Å; Y201-W208 AromaticContact CD1-CD2 3.95Å; Y201-W208 HydrophobicContact CD1-CD2 3.95Å; Y201-W208 AromaticContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CE1-CB 4.31Å; Y201-W208 HydrophobicContact CE1-CG 4.38Å; Y201-W208 HydrophobicContact CG-CD2 4.48Å; Y201-W208 VanDerWaalsContact O-CZ2 3.22Å; Y201-W208 WeakPolarHBondContact O-CZ2 3.05Å; Y201-W208 PolarHBondContact O-NE1 3.38Å |
| 202 | R | 95.9 | Very high | 96.3 | Very high | 126 Ų | 126 | 66.4 Ų | 66.4 | 48% | 0.475 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -68.8 | -26.6 | 176.1 | -65.9 | 175 | -171.1 | 175.2 | 5 | 112.4 | M195 D196 P199 Y200 Q205 | M195-R202 HydrophobicContact CB-CG 4.02Å; M195-R202 HydrophobicContact CG-CG 4.34Å; M195-R202 VanDerWaalsContact O-CZ 3.26Å; M195-R202 PolarHBondContact O-NE 2.73Å; M195-R202 PolarHBondContact O-NH2 3.08Å; D196-R202 PolarHBondContact O-NH2 3.12Å; P199-R202 WeakPolarHBondContact O-CB 3.47Å; P199-R202 WeakPolarHBondContact O-CG 3.4Å; P199-R202 PolarHBondContact O-N 3.06Å; P199-R202 VanDerWaalsContact O-N 3.07Å; Y200-R202 VanDerWaalsContact C-N 3.26Å; Y200-R202 PolarHBondContact O-N 3.02Å; R202-Q205 WeakPolarHBondContact O-CG 3.31Å; R202-Q205 PolarHBondContact O-NE2 2.98Å |
| 203 | Q | 93.1 | Very high | 96.3 | Very high | 143 Ų | 143 | 65.2 Ų | 65.2 | 67% | 0.668 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -89.1 | 164.3 | 176.2 | -60.5 | -179.2 | 3.8 | 0 | 0 | 111.9 | Y201 Q205 W208 | Y201-Q203 PolarHBondContact O-N 3.39Å; Q203-Q205 PolarHBondContact O-N 3.37Å; Q203-W208 PolarHBondContact O-NE1 2.95Å |
| 204 | N | 92.2 | Very high | 96.3 | Very high | 128 Ų | 128 | 67.2 Ų | 67.2 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 50.8 | 34.1 | 171 | -69 | -46.3 | 0 | 0 | 0 | 115.2 | Q206 R207 | N204-Q206 PolarHBondContact O-N 3.1Å; N204-Q206 VanDerWaalsContact O-N 3.16Å; N204-R207 WeakPolarHBondContact O-CB 3.2Å; N204-R207 PolarHBondContact O-N 3.21Å |
| 205 | Q | 95.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 38% | 0.379 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -52 | -46.2 | -164.3 | -69.4 | -170.6 | 25.2 | 0 | 0 | 114.7 | M195 R202 Q203 R207 W208 Q209 | M195-Q205 HydrophobicContact SD-CG 4.25Å; M195-Q205 PolarHBondContact SD-NE2 3.13Å; R202-Q205 WeakPolarHBondContact O-CG 3.31Å; R202-Q205 PolarHBondContact O-NE2 2.98Å; Q203-Q205 PolarHBondContact O-N 3.37Å; Q205-R207 PolarHBondContact O-N 3.41Å; Q205-R207 VanDerWaalsContact O-N 3.13Å; Q205-W208 HydrophobicContact CG-CZ2 4.24Å; Q205-W208 PolarHBondContact O-N 3.49Å; Q205-Q209 WeakPolarHBondContact O-CB 3.5Å; Q205-Q209 WeakPolarHBondContact O-CG 3.49Å; Q205-Q209 PolarHBondContact O-N 3.12Å; Q205-Q209 VanDerWaalsContact OE1-NE2 3.1Å |
| 206 | Q | 96.9 | Very high | 96.2 | Very high | 134 Ų | 134 | 66.8 Ų | 66.8 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -55.8 | -34.2 | -178.2 | -179.9 | 67.3 | -50 | 0 | 0 | 113.1 | N204 N210 R213 | N204-Q206 PolarHBondContact O-N 3.1Å; N204-Q206 VanDerWaalsContact O-N 3.16Å; Q206-N210 WeakPolarHBondContact O-CB 3.24Å; Q206-N210 PolarHBondContact O-N 3.43Å; Q206-R213 VanDerWaalsContact OE1-NH2 3.09Å |
| 207 | R | 96.3 | Very high | 96.2 | Very high | 148 Ų | 148 | 65.8 Ų | 65.8 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.1 | -56.4 | -177.9 | -175.3 | 179.7 | -77.9 | -110.1 | 7.5 | 111.3 | N204 Q205 N210 S211 M356 | N204-R207 WeakPolarHBondContact O-CB 3.2Å; N204-R207 PolarHBondContact O-N 3.21Å; Q205-R207 PolarHBondContact O-N 3.41Å; Q205-R207 VanDerWaalsContact O-N 3.13Å; R207-N210 PolarHBondContact O-N 3.21Å; R207-S211 PolarHBondContact O-N 3.12Å; R207-M356 HydrophobicContact CG-CE 3.88Å; R207-M356 HydrophobicContact CG-SD 4.09Å |
| 208 | W | 97.4 | Very high | 96 | Very high | 12 Ų | 12 | 68.1 Ų | 68.1 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78 | -30.6 | -178.3 | 68.5 | -103 | 0 | 0 | 0 | 113 | Y169 Y191 I194 M195 Y201 Q203 Q205 N210 S211 I212 | Y169-W208 HydrophobicContact CE1-CB 4.29Å; Y191-W208 HydrophobicContact CD1-CH2 4.24Å; Y191-W208 AromaticContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CE1-CZ3 4.45Å; Y191-W208 HydrophobicContact CG-CH2 4.34Å; Y191-W208 HydrophobicContact CG-CZ3 4.44Å; I194-W208 HydrophobicContact CG2-CZ3 4.41Å; M195-W208 HydrophobicContact CG-CH2 3.93Å; M195-W208 HydrophobicContact CG-CZ2 3.67Å; M195-W208 HydrophobicContact SD-CH2 4.29Å; M195-W208 HydrophobicContact SD-CZ2 3.81Å; Y201-W208 HydrophobicContact CD1-CB 4.11Å; Y201-W208 AromaticContact CD1-CD1 3.79Å; Y201-W208 AromaticContact CD1-CD2 3.95Å; Y201-W208 HydrophobicContact CD1-CD2 3.95Å; Y201-W208 AromaticContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CE1-CB 4.31Å; Y201-W208 HydrophobicContact CE1-CG 4.38Å; Y201-W208 HydrophobicContact CG-CD2 4.48Å; Y201-W208 VanDerWaalsContact O-CZ2 3.22Å; Y201-W208 WeakPolarHBondContact O-CZ2 3.05Å; Y201-W208 PolarHBondContact O-NE1 3.38Å; Q203-W208 PolarHBondContact O-NE1 2.95Å; Q205-W208 HydrophobicContact CG-CZ2 4.24Å; Q205-W208 PolarHBondContact O-N 3.49Å; W208-N210 PolarHBondContact O-N 3.21Å; W208-S211 CarbonylContact O-C 3.52Å; W208-S211 WeakPolarHBondContact O-CA 3.19Å; W208-S211 WeakPolarHBondContact O-CB 3.41Å; W208-S211 PolarHBondContact O-N 3.41Å; W208-I212 HydrophobicContact CE3-CG1 3.79Å; W208-I212 HydrophobicContact CZ3-CG1 4Å; W208-I212 PolarHBondContact O-N 3.41Å |
| 209 | Q | 98.2 | Very high | 95.9 | Very high | 26 Ų | 26 | 67.1 Ų | 67.1 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.2 | -31.7 | 174 | -75.2 | -178.5 | 6 | 0 | 0 | 111.5 | Y191 Q205 I212 R213 | Y191-Q209 HydrophobicContact CD1-CG 3.96Å; Y191-Q209 HydrophobicContact CD2-CG 4.03Å; Y191-Q209 HydrophobicContact CE1-CB 3.91Å; Y191-Q209 HydrophobicContact CE1-CG 3.77Å; Y191-Q209 HydrophobicContact CE2-CB 4.14Å; Y191-Q209 HydrophobicContact CE2-CG 3.85Å; Y191-Q209 HydrophobicContact CG-CG 4.08Å; Y191-Q209 PolarHBondContact OH-O 3.23Å; Q205-Q209 WeakPolarHBondContact O-CB 3.5Å; Q205-Q209 WeakPolarHBondContact O-CG 3.49Å; Q205-Q209 PolarHBondContact O-N 3.12Å; Q205-Q209 VanDerWaalsContact OE1-NE2 3.1Å; Q209-I212 PolarHBondContact O-N 3.18Å; Q209-R213 WeakPolarHBondContact O-CG 3.18Å; Q209-R213 PolarHBondContact O-N 3.47Å |
| 210 | N | 98 | Very high | 95.7 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 169.7 | -155.2 | 46.5 | 0 | 0 | 0 | 111.9 | Q206 R207 W208 R213 H214 | Q206-N210 WeakPolarHBondContact O-CB 3.24Å; Q206-N210 PolarHBondContact O-N 3.43Å; R207-N210 PolarHBondContact O-N 3.21Å; W208-N210 PolarHBondContact O-N 3.21Å; N210-R213 PolarHBondContact O-N 3.21Å; N210-R213 PolarHBondContact OD1-NE 2.94Å; N210-R213 PolarHBondContact OD1-NH2 3.5Å; N210-H214 PolarHBondContact O-N 3.38Å |
| 211 | S | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 173.9 | -69.3 | 0 | 0 | 0 | 0 | 114.2 | Y169 R207 W208 H214 S215 | Y169-S211 VanDerWaalsContact CZ-CB 3.48Å; R207-S211 PolarHBondContact O-N 3.12Å; W208-S211 CarbonylContact O-C 3.52Å; W208-S211 WeakPolarHBondContact O-CA 3.19Å; W208-S211 WeakPolarHBondContact O-CB 3.41Å; W208-S211 PolarHBondContact O-N 3.41Å; S211-H214 WeakPolarHBondContact CA-NE2 3.37Å; S211-H214 WeakPolarHBondContact CB-NE2 2.98Å; S211-H214 PolarHBondContact O-CE1 3.47Å; S211-H214 VanDerWaalsContact O-CE1 3.25Å; S211-H214 PolarHBondContact O-ND1 2.93Å; S211-H214 PolarHBondContact OG-NE2 3.48Å; S211-H214 VanDerWaalsContact OG-NE2 3.1Å; S211-S215 VanDerWaalsContact O-CB 3.26Å; S211-S215 WeakPolarHBondContact O-CB 3.4Å; S211-S215 PolarHBondContact O-N 2.96Å; S211-S215 PolarHBondContact O-OG 3.49Å |
| 212 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 169.8 | -64.1 | -64.4 | 0 | 0 | 0 | 110.4 | Y169 I173 L187 I190 Y191 I194 W208 Q209 H214 S215 L216 | Y169-I212 HydrophobicContact CD1-CD1 3.84Å; Y169-I212 HydrophobicContact CG-CD1 4.43Å; I173-I212 HydrophobicContact CD1-CD1 4.08Å; I173-I212 HydrophobicContact CD1-CG2 4.24Å; I173-I212 HydrophobicContact CG1-CD1 3.91Å; I173-I212 HydrophobicContact CG1-CG2 4.3Å; L187-I212 HydrophobicContact CD1-CG2 4.1Å; I190-I212 HydrophobicContact CG2-CG2 3.91Å; Y191-I212 HydrophobicContact CD1-CG2 4.19Å; Y191-I212 HydrophobicContact CE1-CB 3.94Å; Y191-I212 HydrophobicContact CE1-CG2 3.76Å; I194-I212 HydrophobicContact CD1-CD1 3.59Å; I194-I212 HydrophobicContact CD1-CG1 4.18Å; W208-I212 HydrophobicContact CE3-CG1 3.79Å; W208-I212 HydrophobicContact CZ3-CG1 4Å; W208-I212 PolarHBondContact O-N 3.41Å; Q209-I212 PolarHBondContact O-N 3.18Å; I212-H214 PolarHBondContact O-N 3.27Å; I212-S215 PolarHBondContact O-N 3.32Å; I212-S215 VanDerWaalsContact O-N 3.14Å; I212-L216 HydrophobicContact CG2-CD1 4.05Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 3.32Å; I212-L216 VanDerWaalsContact O-N 3.08Å |
| 213 | R | 98.4 | Very high | 95.5 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | 175.6 | -70.5 | -179.3 | -59.4 | -107.1 | 12.5 | 112.1 | L187 Y191 Q206 Q209 N210 S215 L216 S217 | L187-R213 HydrophobicContact CD1-CG 4.12Å; L187-R213 HydrophobicContact CD2-CG 3.98Å; Y191-R213 VanDerWaalsContact OH-CG 3.31Å; Y191-R213 WeakPolarHBondContact OH-CG 3.43Å; Y191-R213 PolarHBondContact OH-NH1 2.92Å; Y191-R213 VanDerWaalsContact OH-NH1 3.08Å; Q206-R213 VanDerWaalsContact OE1-NH2 3.09Å; Q209-R213 WeakPolarHBondContact O-CG 3.18Å; Q209-R213 PolarHBondContact O-N 3.47Å; N210-R213 PolarHBondContact O-N 3.21Å; N210-R213 PolarHBondContact OD1-NE 2.94Å; N210-R213 PolarHBondContact OD1-NH2 3.5Å; R213-S215 VanDerWaalsContact C-N 3.26Å; R213-S215 PolarHBondContact O-N 3.37Å; R213-L216 PolarHBondContact O-N 3.37Å; R213-S217 PolarHBondContact O-N 3.08Å; R213-S217 PolarHBondContact O-OG 3.38Å |
| 214 | H | 97.6 | Very high | 95.7 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 39% | 0.389 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.8 | -32 | 177.5 | 77.6 | 39.4 | 0 | 0 | 0 | 112.2 | N210 S211 I212 S217 F218 | N210-H214 PolarHBondContact O-N 3.38Å; S211-H214 WeakPolarHBondContact CA-NE2 3.37Å; S211-H214 WeakPolarHBondContact CB-NE2 2.98Å; S211-H214 PolarHBondContact O-CE1 3.47Å; S211-H214 VanDerWaalsContact O-CE1 3.25Å; S211-H214 PolarHBondContact O-ND1 2.93Å; S211-H214 PolarHBondContact OG-NE2 3.48Å; S211-H214 VanDerWaalsContact OG-NE2 3.1Å; I212-H214 PolarHBondContact O-N 3.27Å; H214-S217 PolarHBondContact O-N 2.86Å; H214-S217 PolarHBondContact O-OG 3.36Å; H214-F218 WeakPolarHBondContact O-CB 3.44Å; H214-F218 PolarHBondContact O-N 3.11Å |
| 215 | S | 96.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.9 | -37.4 | -177 | -62.2 | 0 | 0 | 0 | 0 | 112 | Y169 S211 I212 R213 N219 | Y169-S215 WeakPolarHBondContact CB-OG 3.38Å; S211-S215 VanDerWaalsContact O-CB 3.26Å; S211-S215 WeakPolarHBondContact O-CB 3.4Å; S211-S215 PolarHBondContact O-N 2.96Å; S211-S215 PolarHBondContact O-OG 3.49Å; I212-S215 PolarHBondContact O-N 3.32Å; I212-S215 VanDerWaalsContact O-N 3.14Å; R213-S215 VanDerWaalsContact C-N 3.26Å; R213-S215 PolarHBondContact O-N 3.37Å; S215-N219 WeakPolarHBondContact O-CB 3.36Å; S215-N219 PolarHBondContact O-N 2.96Å; S215-N219 PolarHBondContact O-ND2 3.2Å |
| 216 | L | 97.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 174.9 | -69.4 | 167 | 0 | 0 | 0 | 112.4 | I173 L187 I190 I212 R213 F222 W238 | I173-L216 HydrophobicContact CD1-CD2 4.06Å; I173-L216 HydrophobicContact CD1-CG 4.02Å; I173-L216 HydrophobicContact CG2-CD2 3.72Å; L187-L216 HydrophobicContact CD1-CD1 3.57Å; I190-L216 HydrophobicContact CD1-CD1 4.3Å; I190-L216 HydrophobicContact CD1-CD2 4.29Å; I212-L216 HydrophobicContact CG2-CD1 4.05Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 3.32Å; I212-L216 VanDerWaalsContact O-N 3.08Å; R213-L216 PolarHBondContact O-N 3.37Å; L216-F222 HydrophobicContact CD2-CB 4.07Å; L216-F222 HydrophobicContact CD2-CD2 4.17Å; L216-F222 HydrophobicContact CD2-CG 4Å; L216-W238 HydrophobicContact CB-CD2 4.13Å; L216-W238 HydrophobicContact CB-CE3 4.02Å; L216-W238 HydrophobicContact CB-CH2 3.81Å; L216-W238 HydrophobicContact CB-CZ2 3.94Å; L216-W238 HydrophobicContact CB-CZ3 3.86Å; L216-W238 HydrophobicContact CD1-CD2 4.25Å; L216-W238 HydrophobicContact CD1-CG 4.34Å; L216-W238 HydrophobicContact CD2-CB 4.16Å; L216-W238 HydrophobicContact CD2-CD2 3.85Å; L216-W238 HydrophobicContact CD2-CE3 3.98Å; L216-W238 HydrophobicContact CD2-CG 3.94Å; L216-W238 HydrophobicContact CG-CD2 4.31Å; L216-W238 VanDerWaalsContact O-CZ3 3.24Å; L216-W238 WeakPolarHBondContact O-CZ3 3.18Å |
| 217 | S | 95.7 | Very high | 95.6 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 60% | 0.601 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -82.1 | -29.8 | 179.1 | 59 | 0 | 0 | 0 | 0 | 114.5 | R213 H214 | R213-S217 PolarHBondContact O-N 3.08Å; R213-S217 PolarHBondContact O-OG 3.38Å; H214-S217 PolarHBondContact O-N 2.86Å; H214-S217 PolarHBondContact O-OG 3.36Å |
| 218 | F | 91.6 | Very high | 95.4 | Very high | 128 Ų | 128 | 49.7 Ų | 49.7 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -89.1 | -24.6 | -172.5 | -178.9 | -105.6 | 0 | 0 | 0 | 114.7 | H214 R259 | H214-F218 WeakPolarHBondContact O-CB 3.44Å; H214-F218 PolarHBondContact O-N 3.11Å; F218-R259 VanDerWaalsContact CZ-NH2 3.31Å; F218-R259 PolarHBondContact O-NH2 3.46Å |
| 219 | N | 91.5 | Very high | 94.9 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | trans | -102.9 | 121.2 | -175 | -63.8 | -72.6 | 0 | 0 | 0 | 110.9 | S215 C221 F222 | S215-N219 WeakPolarHBondContact O-CB 3.36Å; S215-N219 PolarHBondContact O-N 2.96Å; S215-N219 PolarHBondContact O-ND2 3.2Å; N219-C221 HydrophobicContact CB-CB 4.42Å; N219-C221 PolarHBondContact O-N 2.6Å; N219-F222 HydrophobicContact CB-CD2 4.08Å; N219-F222 HydrophobicContact CB-CE2 4.33Å; N219-F222 PolarHBondContact O-N 3Å | ||
| 220 | D | 90.5 | Very high | 94.5 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11 | 176.6 | -64.2 | -48.4 | 0 | 0 | 0 | 112.9 | F222 F260 K261 C262 R265 | D220-F222 PolarHBondContact O-N 2.79Å; D220-F260 HydrophobicContact CB-CD1 4.23Å; D220-F260 HydrophobicContact CB-CE1 4.21Å; D220-K261 WeakPolarHBondContact OD2-CD 3.34Å; D220-K261 WeakPolarHBondContact OD2-CE 3.37Å; D220-K261 IonicContact OD2-NZ 3.46Å; D220-K261 PolarHBondContact OD2-NZ 2.84Å; D220-C262 HydrophobicContact CB-CB 4.21Å; D220-R265 VanDerWaalsContact OD1-CD 3.24Å; D220-R265 WeakPolarHBondContact OD1-CD 3.36Å; D220-R265 IonicContact OD1-CZ 3.5Å; D220-R265 IonicContact OD1-NE 3.3Å; D220-R265 IonicContact OD1-NH1 2.67Å; D220-R265 PolarHBondContact OD1-NH1 3.2Å |
| 221 | C | 91.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28.1 | 170.6 | -52.3 | 0 | 0 | 0 | 0 | 113.9 | N219 H241 F260 | N219-C221 HydrophobicContact CB-CB 4.42Å; N219-C221 PolarHBondContact O-N 2.6Å; C221-H241 PolarHBondContact O-N 3.05Å; C221-F260 HydrophobicContact CB-CD1 4.36Å |
| 222 | F | 95.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.013 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.3 | -172.9 | -57 | -55 | 0 | 0 | 0 | 110.3 | I170 I173 I177 L216 N219 D220 W238 T239 L240 | I170-F222 HydrophobicContact CB-CE2 4.45Å; I170-F222 HydrophobicContact CB-CZ 4.42Å; I170-F222 HydrophobicContact CG1-CE2 4.48Å; I170-F222 HydrophobicContact CG2-CE2 4.03Å; I170-F222 HydrophobicContact CG2-CZ 3.78Å; I173-F222 HydrophobicContact CB-CE1 4.03Å; I173-F222 HydrophobicContact CB-CE2 4.25Å; I173-F222 HydrophobicContact CB-CZ 3.69Å; I173-F222 HydrophobicContact CD1-CE2 3.99Å; I173-F222 HydrophobicContact CD1-CZ 4.3Å; I173-F222 HydrophobicContact CG2-CD1 3.84Å; I173-F222 HydrophobicContact CG2-CD2 4.48Å; I173-F222 HydrophobicContact CG2-CE1 3.4Å; I173-F222 HydrophobicContact CG2-CE2 4.08Å; I173-F222 HydrophobicContact CG2-CG 4.37Å; I173-F222 HydrophobicContact CG2-CZ 3.53Å; I177-F222 HydrophobicContact CD1-CD1 4.15Å; I177-F222 HydrophobicContact CD1-CE1 4.36Å; L216-F222 HydrophobicContact CD2-CB 4.07Å; L216-F222 HydrophobicContact CD2-CD2 4.17Å; L216-F222 HydrophobicContact CD2-CG 4Å; N219-F222 HydrophobicContact CB-CD2 4.08Å; N219-F222 HydrophobicContact CB-CE2 4.33Å; N219-F222 PolarHBondContact O-N 3Å; D220-F222 PolarHBondContact O-N 2.79Å; F222-W238 HydrophobicContact CB-CE3 4.18Å; F222-T239 WeakPolarHBondContact CA-O 3.24Å; F222-L240 HydrophobicContact CD1-CD1 4.27Å; F222-L240 HydrophobicContact CE1-CD1 3.97Å |
| 223 | V | 95.7 | Very high | 92.7 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 27% | 0.267 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.1 | -176.4 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | V225 W238 T239 H241 | V223-V225 HydrophobicContact CG1-CG2 4.47Å; V223-W238 WeakPolarHBondContact O-CA 3.49Å; V223-T239 PolarHBondContact N-O 2.59Å; V223-T239 PolarHBondContact O-N 2.82Å; V223-T239 PolarHBondContact O-OG1 2.73Å; V223-H241 HydrophobicContact CG2-CB 4.08Å |
| 224 | K | 97.2 | Very high | 92.4 | Very high | 132 Ų | 132 | 75.5 Ų | 75.5 | 57% | 0.574 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.2 | 177.1 | -175.6 | -174.8 | 173.7 | -172.4 | 0 | 109.3 | S236 W238 | K224-S236 WeakPolarHBondContact CE-OG 3.35Å; K224-W238 HydrophobicContact CB-CD2 4.49Å; K224-W238 HydrophobicContact CB-CE3 4.03Å; K224-W238 HydrophobicContact CB-CH2 3.93Å; K224-W238 HydrophobicContact CB-CZ2 4.37Å; K224-W238 HydrophobicContact CB-CZ3 3.74Å; K224-W238 HydrophobicContact CD-CH2 4.38Å; K224-W238 HydrophobicContact CD-CZ2 4.4Å; K224-W238 HydrophobicContact CG-CH2 4.26Å; K224-W238 HydrophobicContact CG-CZ2 4.25Å; K224-W238 HydrophobicContact CG-CZ3 4.49Å |
| 225 | V | 95.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 74 Ų | 74 | 28% | 0.279 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.5 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | V223 S236 F237 T239 | V223-V225 HydrophobicContact CG1-CG2 4.47Å; V225-S236 WeakPolarHBondContact O-CB 3.32Å; V225-F237 HydrophobicContact CB-CB 4.23Å; V225-F237 PolarHBondContact N-O 3.41Å; V225-F237 PolarHBondContact O-N 3.31Å; V225-T239 HydrophobicContact CG2-CG2 3.86Å; V225-T239 WeakPolarHBondContact CG2-OG1 3.38Å |
| 226 | P | 94.7 | Very high | 92.2 | Very high | 100 Ų | 100 | 75.1 Ų | 75.1 | 65% | 0.649 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 153.1 | 175.9 | 29.1 | -34.7 | 0 | 0 | 0 | 111 | ||
| 227 | R | 93.8 | Very high | 92.2 | Very high | 78 Ų | 78 | 77.5 Ų | 77.5 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -76 | 145.2 | 169.1 | -67.1 | -178.4 | -178.5 | -104.7 | 4 | 109.6 | G233 K234 G235 F237 | R227-G233 WeakPolarHBondContact CD-O 3.24Å; R227-G233 PolarHBondContact NE-O 3.49Å; R227-K234 PolarHBondContact NH2-O 2.79Å; R227-G235 WeakPolarHBondContact CD-O 3.42Å; R227-G235 PolarHBondContact NE-O 2.77Å; R227-F237 HydrophobicContact CG-CD2 4.15Å; R227-F237 HydrophobicContact CG-CE2 3.96Å |
| 228 | T | 90.7 | Very high | 92.3 | Very high | 87 Ų | 87 | 75.2 Ų | 75.2 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.1 | 165.8 | -27.7 | 0 | 0 | 0 | 0 | 109.8 | D230 K231 | T228-D230 WeakPolarHBondContact CG2-OD2 3.4Å; T228-D230 PolarHBondContact O-N 3Å; T228-D230 VanDerWaalsContact O-N 3.16Å; T228-K231 PolarHBondContact O-N 3.17Å |
| 229 | P | 88.4 | Confident | 92.5 | Very high | 115 Ų | 115 | 70.4 Ų | 70.4 | 75% | 0.747 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.3 | -179.4 | 20.2 | -33.8 | 0 | 0 | 0 | 113.6 | K231 | P229-K231 PolarHBondContact O-N 2.82Š|
| 230 | D | 88.7 | Confident | 92.7 | Very high | 129 Ų | 129 | 71.1 Ų | 71.1 | 69% | 0.69 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.5 | -178.9 | -29.3 | -45.9 | 0 | 0 | 0 | 114.3 | T228 | T228-D230 WeakPolarHBondContact CG2-OD2 3.4Å; T228-D230 PolarHBondContact O-N 3Å; T228-D230 VanDerWaalsContact O-N 3.16Å |
| 231 | K | 81.8 | Confident | 92.8 | Very high | 159 Ų | 159 | 72 Ų | 72 | 69% | 0.691 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -127.4 | 73.2 | -178.8 | -67.7 | -173.4 | -179.6 | 178.5 | 0 | 110.8 | T228 P229 G233 | T228-K231 PolarHBondContact O-N 3.17Å; P229-K231 PolarHBondContact O-N 2.82Å; K231-G233 PolarHBondContact O-N 2.92Å |
| 232 | P | 85.3 | Confident | 92.6 | Very high | 123 Ų | 123 | 76.5 Ų | 76.5 | 80% | 0.799 | 43% | 0.43 | S | S | * | . | trans | -57.6 | 128.2 | 177.3 | 24.7 | -34.2 | 0 | 0 | 0 | 110.4 | ||||
| 233 | G | 90 | Very high | 92 | Very high | 43 Ų | 43 | 81 Ų | 81 | 44% | 0.443 | 45% | 0.454 | S | S | . | . | trans | -169.5 | 158.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R227 K231 G235 | R227-G233 WeakPolarHBondContact CD-O 3.24Å; R227-G233 PolarHBondContact NE-O 3.49Å; K231-G233 PolarHBondContact O-N 2.92Å; G233-G235 PolarHBondContact O-N 3.25Å | ||
| 234 | K | 91.7 | Very high | 91.3 | Very high | 191 Ų | 191 | 78.9 Ų | 78.9 | 83% | 0.83 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -68.8 | 127.3 | -172.1 | -168.8 | 172.2 | -176.7 | 174.2 | 0 | 112 | R227 | R227-K234 PolarHBondContact NH2-O 2.79Š|
| 235 | G | 93.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 73.5 Ų | 73.5 | 55% | 0.546 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 68.5 | -170.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | R227 G233 | R227-G235 WeakPolarHBondContact CD-O 3.42Å; R227-G235 PolarHBondContact NE-O 2.77Å; G233-G235 PolarHBondContact O-N 3.25Å |
| 236 | S | 96.1 | Very high | 88.9 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 20% | 0.196 | 44% | 0.437 | C | S | . | . | trans | -108.6 | 160.4 | -177.1 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | K224 V225 | K224-S236 WeakPolarHBondContact CE-OG 3.35Å; V225-S236 WeakPolarHBondContact O-CB 3.32Å | ||
| 237 | F | 97 | Very high | 87.6 | Confident | 52 Ų | 52 | 75 Ų | 75 | 23% | 0.228 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 154.9 | 165 | -67 | -71.7 | 0 | 0 | 0 | 110.2 | M184 T186 V225 R227 | M184-F237 HydrophobicContact CB-CB 4.36Å; M184-F237 HydrophobicContact CG-CB 4.29Å; M184-F237 HydrophobicContact CG-CD1 4.01Å; M184-F237 HydrophobicContact CG-CG 4.18Å; M184-F237 HydrophobicContact SD-CB 4.17Å; M184-F237 HydrophobicContact SD-CD1 4.31Å; M184-F237 HydrophobicContact SD-CD2 4.22Å; M184-F237 HydrophobicContact SD-CG 3.99Å; T186-F237 HydrophobicContact CG2-CD1 3.68Å; T186-F237 HydrophobicContact CG2-CE1 3.68Å; V225-F237 HydrophobicContact CB-CB 4.23Å; V225-F237 PolarHBondContact N-O 3.41Å; V225-F237 PolarHBondContact O-N 3.31Å; R227-F237 HydrophobicContact CG-CD2 4.15Å; R227-F237 HydrophobicContact CG-CE2 3.96Å |
| 238 | W | 97.8 | Very high | 86.5 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 14% | 0.14 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.6 | 172.7 | -66.1 | 92.7 | 0 | 0 | 0 | 108.9 | M184 L185 I190 L216 F222 V223 K224 | M184-W238 WeakPolarHBondContact CA-O 3.35Å; L185-W238 PolarHBondContact N-O 2.87Å; L185-W238 VanDerWaalsContact N-O 3.09Å; L185-W238 PolarHBondContact O-N 3.21Å; I190-W238 HydrophobicContact CD1-CB 4.38Å; L216-W238 HydrophobicContact CB-CD2 4.13Å; L216-W238 HydrophobicContact CB-CE3 4.02Å; L216-W238 HydrophobicContact CB-CH2 3.81Å; L216-W238 HydrophobicContact CB-CZ2 3.94Å; L216-W238 HydrophobicContact CB-CZ3 3.86Å; L216-W238 HydrophobicContact CD1-CD2 4.25Å; L216-W238 HydrophobicContact CD1-CG 4.34Å; L216-W238 HydrophobicContact CD2-CB 4.16Å; L216-W238 HydrophobicContact CD2-CD2 3.85Å; L216-W238 HydrophobicContact CD2-CE3 3.98Å; L216-W238 HydrophobicContact CD2-CG 3.94Å; L216-W238 HydrophobicContact CG-CD2 4.31Å; L216-W238 VanDerWaalsContact O-CZ3 3.24Å; L216-W238 WeakPolarHBondContact O-CZ3 3.18Å; F222-W238 HydrophobicContact CB-CE3 4.18Å; V223-W238 WeakPolarHBondContact O-CA 3.49Å; K224-W238 HydrophobicContact CB-CD2 4.49Å; K224-W238 HydrophobicContact CB-CE3 4.03Å; K224-W238 HydrophobicContact CB-CH2 3.93Å; K224-W238 HydrophobicContact CB-CZ2 4.37Å; K224-W238 HydrophobicContact CB-CZ3 3.74Å; K224-W238 HydrophobicContact CD-CH2 4.38Å; K224-W238 HydrophobicContact CD-CZ2 4.4Å; K224-W238 HydrophobicContact CG-CH2 4.26Å; K224-W238 HydrophobicContact CG-CZ2 4.25Å; K224-W238 HydrophobicContact CG-CZ3 4.49Å |
| 239 | T | 96.4 | Very high | 85.3 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 17% | 0.172 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 161.7 | 174.8 | 47.6 | 0 | 0 | 0 | 0 | 110.7 | M184 F222 V223 V225 | M184-T239 HydrophobicContact CB-CG2 3.49Å; M184-T239 VanDerWaalsContact CB-CG2 3.49Å; F222-T239 WeakPolarHBondContact CA-O 3.24Å; V223-T239 PolarHBondContact N-O 2.59Å; V223-T239 PolarHBondContact O-N 2.82Å; V223-T239 PolarHBondContact O-OG1 2.73Å; V225-T239 HydrophobicContact CG2-CG2 3.86Å; V225-T239 WeakPolarHBondContact CG2-OG1 3.38Å |
| 240 | L | 94.3 | Very high | 84.1 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 138.7 | 165.1 | -162.9 | 64.2 | 0 | 0 | 0 | 108.8 | T174 I177 Q178 F222 C244 F248 | T174-L240 HydrophobicContact CG2-CD1 4.35Å; T174-L240 HydrophobicContact CG2-CD2 4.19Å; I177-L240 HydrophobicContact CG2-CB 4.2Å; Q178-L240 HydrophobicContact CG-CD2 4.49Å; F222-L240 HydrophobicContact CD1-CD1 4.27Å; F222-L240 HydrophobicContact CE1-CD1 3.97Å; L240-C244 WeakPolarHBondContact CD1-SG 3.5Å; L240-F248 HydrophobicContact CD1-CE2 4.23Å |
| 241 | H | 92.3 | Very high | 82.8 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 13% | 0.134 | 41% | 0.406 | C | S | . | . | trans | -64.4 | 135.6 | 172 | -163.5 | -72.9 | 0 | 0 | 0 | 109.2 | C221 V223 D243 C244 G245 F260 C262 | C221-H241 PolarHBondContact O-N 3.05Å; V223-H241 HydrophobicContact CG2-CB 4.08Å; H241-D243 IonicContact CE1-OD1 3.59Å; H241-D243 PolarHBondContact CE1-OD1 2.97Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact CE1-OD2 3.39Å; H241-D243 PolarHBondContact CE1-OD2 3.44Å; H241-D243 VanDerWaalsContact ND1-CG 3.32Å; H241-D243 IonicContact ND1-OD1 3.12Å; H241-D243 PolarHBondContact ND1-OD1 3.39Å; H241-D243 IonicContact ND1-OD2 2.73Å; H241-D243 PolarHBondContact ND1-OD2 3.45Å; H241-D243 PolarHBondContact O-N 3.09Å; H241-C244 PolarHBondContact O-N 2.77Å; H241-C244 PolarHBondContact O-SG 3.01Å; H241-G245 PolarHBondContact O-N 3.1Å; H241-F260 HydrophobicContact CB-CE1 4.22Å; H241-F260 HydrophobicContact CB-CZ 4.33Å; H241-F260 AromaticContact CG-CZ 4Å; H241-F260 AromaticContact ND1-CZ 3.85Å; H241-C262 PolarHBondContact NE2-SG 3.08Å; H241-C262 VanDerWaalsContact NE2-SG 3.4Å | ||
| 242 | P | 89 | Confident | 81.9 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 65% | 0.649 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -51.1 | -53.2 | -177 | 14.6 | -28.7 | 0 | 0 | 0 | 112.4 | C244 G245 | P242-C244 PolarHBondContact O-N 2.84Å; P242-G245 PolarHBondContact O-N 3.21Å |
| 243 | D | 82.8 | Confident | 81.1 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -58.8 | -14.4 | -179.5 | -34 | 1.5 | 0 | 0 | 0 | 114.8 | H241 F260 | H241-D243 IonicContact CE1-OD1 3.59Å; H241-D243 PolarHBondContact CE1-OD1 2.97Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact CE1-OD2 3.39Å; H241-D243 PolarHBondContact CE1-OD2 3.44Å; H241-D243 VanDerWaalsContact ND1-CG 3.32Å; H241-D243 IonicContact ND1-OD1 3.12Å; H241-D243 PolarHBondContact ND1-OD1 3.39Å; H241-D243 IonicContact ND1-OD2 2.73Å; H241-D243 PolarHBondContact ND1-OD2 3.45Å; H241-D243 PolarHBondContact O-N 3.09Å; D243-F260 HydrophobicContact CB-CE2 3.88Å; D243-F260 HydrophobicContact CB-CZ 4.07Å |
| 244 | C | 80.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -107.2 | 1.8 | 177 | 83.5 | 0 | 0 | 0 | 0 | 113.8 | L240 H241 P242 M247 F248 F260 | L240-C244 WeakPolarHBondContact CD1-SG 3.5Å; H241-C244 PolarHBondContact O-N 2.77Å; H241-C244 PolarHBondContact O-SG 3.01Å; P242-C244 PolarHBondContact O-N 2.84Å; C244-M247 VanDerWaalsContact O-CB 3.3Å; C244-M247 WeakPolarHBondContact O-CB 3.28Å; C244-M247 PolarHBondContact O-N 3.31Å; C244-F248 WeakPolarHBondContact O-CD2 3.3Å; C244-F260 HydrophobicContact CB-CD1 4.13Å; C244-F260 HydrophobicContact CB-CD2 3.84Å; C244-F260 HydrophobicContact CB-CE1 4.18Å; C244-F260 HydrophobicContact CB-CE2 3.9Å; C244-F260 HydrophobicContact CB-CG 3.95Å; C244-F260 HydrophobicContact CB-CZ 4.07Å |
| 245 | G | 72 | Confident | 78.2 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 21% | 0.206 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -60.4 | -60.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H241 P242 M247 F248 | H241-G245 PolarHBondContact O-N 3.1Å; P242-G245 PolarHBondContact O-N 3.21Å; G245-M247 PolarHBondContact O-N 3.05Å; G245-F248 PolarHBondContact O-N 3.38Å; G245-F248 VanDerWaalsContact O-N 3.09Å |
| 246 | N | 69 | Low | 76.8 | Confident | 104 Ų | 104 | 67.4 Ų | 67.4 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57.6 | -26.4 | -180 | -48.9 | 101.3 | 0 | 0 | 0 | 112.3 | F248 E249 | N246-F248 PolarHBondContact O-N 2.96Å; N246-E249 WeakPolarHBondContact CA-OE2 3.3Å; N246-E249 PolarHBondContact ND2-OE2 2.92Å; N246-E249 WeakPolarHBondContact O-CB 3.46Å; N246-E249 PolarHBondContact O-N 3.14Å; N246-E249 VanDerWaalsContact O-N 3.09Å |
| 247 | M | 69 | Low | 75.1 | Confident | 73 Ų | 73 | 76 Ų | 76 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -13.7 | 179.9 | -145.4 | 176.5 | -76.6 | 0 | 0 | 114.2 | C244 G245 R256 F260 | C244-M247 VanDerWaalsContact O-CB 3.3Å; C244-M247 WeakPolarHBondContact O-CB 3.28Å; C244-M247 PolarHBondContact O-N 3.31Å; G245-M247 PolarHBondContact O-N 3.05Å; M247-R256 VanDerWaalsContact CG-CZ 3.46Å; M247-R256 PolarHBondContact O-NH1 3.32Å; M247-R256 PolarHBondContact SD-NH2 2.85Å; M247-F260 HydrophobicContact CE-CD2 3.83Å; M247-F260 HydrophobicContact SD-CB 4.22Å; M247-F260 HydrophobicContact SD-CD2 4.46Å |
| 248 | F | 69.9 | Low | 73.6 | Confident | 4 Ų | 4 | 82.4 Ų | 82.4 | 2% | 0.018 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -118.8 | -6 | 173.2 | -57.9 | -94.2 | 0 | 0 | 0 | 113.7 | I170 T174 L240 C244 G245 N246 N250 G251 R256 | I170-F248 HydrophobicContact CG2-CE1 4.15Å; I170-F248 HydrophobicContact CG2-CZ 3.8Å; T174-F248 HydrophobicContact CG2-CB 3.93Å; T174-F248 HydrophobicContact CG2-CD1 3.87Å; T174-F248 HydrophobicContact CG2-CD2 3.74Å; T174-F248 HydrophobicContact CG2-CE1 4.23Å; T174-F248 HydrophobicContact CG2-CE2 4.11Å; T174-F248 HydrophobicContact CG2-CG 3.61Å; T174-F248 HydrophobicContact CG2-CZ 4.34Å; T174-F248 WeakPolarHBondContact OG1-CZ 3.39Å; L240-F248 HydrophobicContact CD1-CE2 4.23Å; C244-F248 WeakPolarHBondContact O-CD2 3.3Å; G245-F248 PolarHBondContact O-N 3.38Å; G245-F248 VanDerWaalsContact O-N 3.09Å; N246-F248 PolarHBondContact O-N 2.96Å; F248-N250 PolarHBondContact O-N 3.19Å; F248-G251 PolarHBondContact O-N 3.46Å; F248-G251 VanDerWaalsContact O-N 3.14Å; F248-R256 VanDerWaalsContact CZ-NH1 3.33Å |
| 249 | E | 66.4 | Low | 72.2 | Confident | 133 Ų | 133 | 87 Ų | 87 | 62% | 0.621 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.6 | -37.4 | -169.1 | -170.2 | 160.9 | -143.8 | 0 | 0 | 112.4 | N246 G251 | N246-E249 WeakPolarHBondContact CA-OE2 3.3Å; N246-E249 PolarHBondContact ND2-OE2 2.92Å; N246-E249 WeakPolarHBondContact O-CB 3.46Å; N246-E249 PolarHBondContact O-N 3.14Å; N246-E249 VanDerWaalsContact O-N 3.09Å; E249-G251 PolarHBondContact O-N 2.67Å |
| 250 | N | 61.6 | Low | 70.8 | Confident | 153 Ų | 153 | 86.7 Ų | 86.7 | 82% | 0.818 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 24.4 | 171.3 | -50 | 81.4 | 0 | 0 | 0 | 114 | F248 C252 | F248-N250 PolarHBondContact O-N 3.19Å; N250-C252 PolarHBondContact O-N 2.73Å |
| 251 | G | 61.5 | Low | 69.8 | Low | 43 Ų | 43 | 91.3 Ų | 91.3 | 44% | 0.443 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 69.5 | 11.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | F248 E249 Y253 | F248-G251 PolarHBondContact O-N 3.46Å; F248-G251 VanDerWaalsContact O-N 3.14Å; E249-G251 PolarHBondContact O-N 2.67Å; G251-Y253 VanDerWaalsContact C-N 3.26Å; G251-Y253 WeakPolarHBondContact O-CD2 3.48Å; G251-Y253 PolarHBondContact O-N 3.33Å |
| 252 | C | 62.9 | Low | 68.5 | Low | 59 Ų | 59 | 90.5 Ų | 90.5 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | trans | -77.6 | 72.8 | -177.7 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | N250 L254 | N250-C252 PolarHBondContact O-N 2.73Å; C252-L254 VanDerWaalsContact C-N 3.32Å | ||
| 253 | Y | 68.3 | Low | 67.5 | Low | 56 Ų | 56 | 94.2 Ų | 94.2 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | trans | -84.8 | -3 | 174.2 | -60.2 | -70.5 | 0 | 0 | 0 | 113.5 | S171 M175 Q178 G251 | S171-Y253 VanDerWaalsContact CB-O 3.24Å; S171-Y253 WeakPolarHBondContact CB-O 3.34Å; S171-Y253 PolarHBondContact OG-O 3.18Å; M175-Y253 HydrophobicContact CG-CD1 3.65Å; M175-Y253 HydrophobicContact CG-CE1 3.33Å; M175-Y253 HydrophobicContact CG-CG 4.39Å; M175-Y253 HydrophobicContact SD-CD1 4.14Å; M175-Y253 HydrophobicContact SD-CE1 4.22Å; M175-Y253 HydrophobicContact SD-CG 4.31Å; Q178-Y253 PolarHBondContact OE1-OH 2.79Å; G251-Y253 VanDerWaalsContact C-N 3.26Å; G251-Y253 WeakPolarHBondContact O-CD2 3.48Å; G251-Y253 PolarHBondContact O-N 3.33Å | ||
| 254 | L | 63.6 | Low | 66.5 | Low | 117 Ų | 117 | 98.6 Ų | 98.6 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -78.4 | 165.9 | 173.1 | -85.6 | 64.8 | 0 | 0 | 0 | 111 | C252 R256 | C252-L254 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.01Å |
| 255 | R | 57.7 | Low | 65.4 | Low | 185 Ų | 185 | 104.3 Ų | 104.3 | 70% | 0.698 | 49% | 0.492 | S | S | * | . | trans | -65.8 | 101.6 | -175.1 | 175.3 | 179.1 | 150 | 172.2 | -8 | 111.5 | ||||
| 256 | R | 65 | Low | 64.1 | Low | 68 Ų | 68 | 105 Ų | 105 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | trans | -61.1 | 143.9 | 171.2 | -61.2 | -162.6 | -66 | -99.7 | 4.9 | 111.5 | M247 F248 L254 | M247-R256 VanDerWaalsContact CG-CZ 3.46Å; M247-R256 PolarHBondContact O-NH1 3.32Å; M247-R256 PolarHBondContact SD-NH2 2.85Å; F248-R256 VanDerWaalsContact CZ-NH1 3.33Å; L254-R256 PolarHBondContact O-N 3.01Å | ||
| 257 | Q | 59.2 | Low | 62.9 | Low | 210 Ų | 210 | 102.6 Ų | 102.6 | 98% | 0.981 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -76.6 | -31.4 | 179.8 | -68.8 | 176 | -15.8 | 0 | 0 | 113.5 | ||
| 258 | K | 66.6 | Low | 61.9 | Low | 185 Ų | 185 | 104 Ų | 104 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -103 | 131.3 | -179.4 | -166.4 | 173 | -178.3 | 179.1 | 0 | 111 | ||
| 259 | R | 68.1 | Low | 61 | Low | 133 Ų | 133 | 107.2 Ų | 107.2 | 50% | 0.502 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 132.8 | 176.6 | -175.8 | 178.2 | -178.5 | 173.1 | 3.4 | 110.2 | F218 | F218-R259 VanDerWaalsContact CZ-NH2 3.31Å; F218-R259 PolarHBondContact O-NH2 3.46Å |
| 260 | F | 67.9 | Low | 60.1 | Low | 22 Ų | 22 | 106 Ų | 106 | 10% | 0.096 | 54% | 0.537 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 133.7 | 168 | 172.7 | -101.4 | 0 | 0 | 0 | 110.1 | D220 C221 H241 D243 C244 M247 C262 | D220-F260 HydrophobicContact CB-CD1 4.23Å; D220-F260 HydrophobicContact CB-CE1 4.21Å; C221-F260 HydrophobicContact CB-CD1 4.36Å; H241-F260 HydrophobicContact CB-CE1 4.22Å; H241-F260 HydrophobicContact CB-CZ 4.33Å; H241-F260 AromaticContact CG-CZ 4Å; H241-F260 AromaticContact ND1-CZ 3.85Å; D243-F260 HydrophobicContact CB-CE2 3.88Å; D243-F260 HydrophobicContact CB-CZ 4.07Å; C244-F260 HydrophobicContact CB-CD1 4.13Å; C244-F260 HydrophobicContact CB-CD2 3.84Å; C244-F260 HydrophobicContact CB-CE1 4.18Å; C244-F260 HydrophobicContact CB-CE2 3.9Å; C244-F260 HydrophobicContact CB-CG 3.95Å; C244-F260 HydrophobicContact CB-CZ 4.07Å; M247-F260 HydrophobicContact CE-CD2 3.83Å; M247-F260 HydrophobicContact SD-CB 4.22Å; M247-F260 HydrophobicContact SD-CD2 4.46Å; F260-C262 HydrophobicContact CE1-CB 4.13Å; F260-C262 HydrophobicContact CZ-CB 4.2Å |
| 261 | K | 71.5 | Confident | 59.6 | Low | 127 Ų | 127 | 100.8 Ų | 100.8 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | trans | -136.6 | 114.6 | 178.8 | -171.3 | 68.5 | -167.4 | 159.1 | 0 | 109.6 | D220 E263 | D220-K261 WeakPolarHBondContact OD2-CD 3.34Å; D220-K261 WeakPolarHBondContact OD2-CE 3.37Å; D220-K261 IonicContact OD2-NZ 3.46Å; D220-K261 PolarHBondContact OD2-NZ 2.84Å; K261-E263 PolarHBondContact O-N 3.18Å | ||
| 262 | C | 66.3 | Low | 59.2 | Low | 12 Ų | 12 | 105.5 Ų | 105.5 | 8% | 0.081 | 52% | 0.52 | C | S | . | . | trans | -77.7 | 108.1 | 172.8 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | D220 H241 F260 K264 R265 | D220-C262 HydrophobicContact CB-CB 4.21Å; H241-C262 PolarHBondContact NE2-SG 3.08Å; H241-C262 VanDerWaalsContact NE2-SG 3.4Å; F260-C262 HydrophobicContact CE1-CB 4.13Å; F260-C262 HydrophobicContact CZ-CB 4.2Å; C262-K264 PolarHBondContact O-N 3.42Å; C262-R265 PolarHBondContact O-N 2.84Å | ||
| 263 | E | 67.3 | Low | 58.9 | Low | 178 Ų | 178 | 105.3 Ų | 105.3 | 83% | 0.832 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -62.9 | -30.3 | -177.3 | -59.3 | -175.5 | 135.2 | 0 | 0 | 112.1 | K261 R265 G266 | K261-E263 PolarHBondContact O-N 3.18Å; E263-R265 PolarHBondContact O-N 3.21Å; E263-G266 PolarHBondContact O-N 2.69Å |
| 264 | K | 63.1 | Low | 58.5 | Low | 189 Ų | 189 | 106 Ų | 106 | 82% | 0.822 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -59.8 | -18.8 | -179.2 | -158.4 | 165.8 | -174 | 168.9 | 0 | 114.2 | C262 G266 | C262-K264 PolarHBondContact O-N 3.42Å; K264-G266 PolarHBondContact O-N 2.74Å |
| 265 | R | 56.8 | Low | 58.5 | Low | 119 Ų | 119 | 108 Ų | 108 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -71.7 | -9.5 | 171.5 | -73.9 | -174.8 | 174 | -171.8 | -2.9 | 113.7 | D220 C262 E263 S269 | D220-R265 VanDerWaalsContact OD1-CD 3.24Å; D220-R265 WeakPolarHBondContact OD1-CD 3.36Å; D220-R265 IonicContact OD1-CZ 3.5Å; D220-R265 IonicContact OD1-NE 3.3Å; D220-R265 IonicContact OD1-NH1 2.67Å; D220-R265 PolarHBondContact OD1-NH1 3.2Å; C262-R265 PolarHBondContact O-N 2.84Å; E263-R265 PolarHBondContact O-N 3.21Å; R265-S269 PolarHBondContact O-OG 3.24Å |
| 266 | G | 43.9 | Very low | 59.2 | Low | 34 Ų | 34 | 104.9 Ų | 104.9 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E263 K264 S268 S269 N270 | E263-G266 PolarHBondContact O-N 2.69Å; K264-G266 PolarHBondContact O-N 2.74Å; G266-S268 PolarHBondContact O-N 3.35Å; G266-S269 PolarHBondContact O-N 2.91Å; G266-S269 PolarHBondContact O-OG 3.31Å; G266-N270 WeakPolarHBondContact O-CB 3.27Å; G266-N270 PolarHBondContact O-N 3.02Å |
| 267 | G | 43.8 | Very low | 59.5 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 57% | 0.567 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.6 | -46.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | S271 | G267-S271 VanDerWaalsContact O-CB 3.26Å; G267-S271 WeakPolarHBondContact O-CB 3.23Å; G267-S271 PolarHBondContact O-N 3.44Å; G267-S271 PolarHBondContact O-OG 3.04Å |
| 268 | S | 49 | Very low | 60.1 | Low | 101 Ų | 101 | 97.4 Ų | 97.4 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -87.1 | -10.5 | -176.3 | -50 | 0 | 0 | 0 | 0 | 114.6 | G266 S271 | G266-S268 PolarHBondContact O-N 3.35Å; S268-S271 WeakPolarHBondContact CA-OG 3.39Å |
| 269 | S | 51 | Low | 60.6 | Low | 73 Ų | 73 | 91.4 Ų | 91.4 | 51% | 0.51 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -99.6 | -46.5 | 176.3 | 56 | 0 | 0 | 0 | 0 | 111.4 | R265 G266 S271 K272 | R265-S269 PolarHBondContact O-OG 3.24Å; G266-S269 PolarHBondContact O-N 2.91Å; G266-S269 PolarHBondContact O-OG 3.31Å; S269-S271 PolarHBondContact O-N 2.94Å; S269-K272 PolarHBondContact O-N 3.09Å |
| 270 | N | 46.7 | Very low | 60.9 | Low | 108 Ų | 108 | 87.6 Ų | 87.6 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -25.4 | 176.6 | -156.8 | 24.9 | 0 | 0 | 0 | 112 | G266 K272 A273 S274 | G266-N270 WeakPolarHBondContact O-CB 3.27Å; G266-N270 PolarHBondContact O-N 3.02Å; N270-K272 PolarHBondContact O-N 2.94Å; N270-A273 PolarHBondContact O-N 3.09Å; N270-S274 VanDerWaalsContact O-CB 3.23Å; N270-S274 WeakPolarHBondContact O-CB 3.44Å; N270-S274 PolarHBondContact O-N 3.06Å |
| 271 | S | 51.3 | Low | 61.4 | Low | 42 Ų | 42 | 89.5 Ų | 89.5 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -6.9 | 170 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | G267 S268 S269 R275 | G267-S271 VanDerWaalsContact O-CB 3.26Å; G267-S271 WeakPolarHBondContact O-CB 3.23Å; G267-S271 PolarHBondContact O-N 3.44Å; G267-S271 PolarHBondContact O-OG 3.04Å; S268-S271 WeakPolarHBondContact CA-OG 3.39Å; S269-S271 PolarHBondContact O-N 2.94Å; S271-R275 WeakPolarHBondContact O-CB 3.44Å; S271-R275 WeakPolarHBondContact O-CG 3.41Å; S271-R275 PolarHBondContact O-N 2.85Å; S271-R275 PolarHBondContact O-NE 3.32Å; S271-R275 PolarHBondContact O-NH2 2.72Å |
| 272 | K | 53.1 | Low | 61.7 | Low | 142 Ų | 142 | 86.2 Ų | 86.2 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -87.1 | -43.8 | 163.1 | -72 | -171.9 | 176.3 | -175.3 | 0 | 111.7 | S269 N270 R275 N276 | S269-K272 PolarHBondContact O-N 3.09Å; N270-K272 PolarHBondContact O-N 2.94Å; K272-R275 PolarHBondContact O-N 3.47Å; K272-N276 PolarHBondContact O-N 3.26Å; K272-N276 PolarHBondContact O-OD1 3.37Å |
| 273 | A | 56.1 | Low | 62.3 | Low | 56 Ų | 56 | 88.6 Ų | 88.6 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N270 N276 A277 | N270-A273 PolarHBondContact O-N 3.09Å; A273-N276 PolarHBondContact O-N 3.32Å; A273-A277 WeakPolarHBondContact O-CB 3.31Å; A273-A277 PolarHBondContact O-N 3.31Å |
| 274 | S | 59.9 | Low | 62.8 | Low | 71 Ų | 71 | 87.1 Ų | 87.1 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 173.6 | 167.9 | 0 | 0 | 0 | 0 | 112.7 | N270 A277 A278 | N270-S274 VanDerWaalsContact O-CB 3.23Å; N270-S274 WeakPolarHBondContact O-CB 3.44Å; N270-S274 PolarHBondContact O-N 3.06Å; S274-A277 PolarHBondContact O-N 3.3Å; S274-A278 VanDerWaalsContact O-CB 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.49Å; S274-A278 PolarHBondContact O-N 2.98Å |
| 275 | R | 65 | Low | 63.5 | Low | 158 Ų | 158 | 81 Ų | 81 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 173.1 | -94.4 | 179.1 | -77.7 | -169.9 | -10.4 | 112.2 | S271 K272 A278 A279 | S271-R275 WeakPolarHBondContact O-CB 3.44Å; S271-R275 WeakPolarHBondContact O-CG 3.41Å; S271-R275 PolarHBondContact O-N 2.85Å; S271-R275 PolarHBondContact O-NE 3.32Å; S271-R275 PolarHBondContact O-NH2 2.72Å; K272-R275 PolarHBondContact O-N 3.47Å; R275-A278 PolarHBondContact O-N 3.22Å; R275-A279 VanDerWaalsContact O-CB 3.27Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 2.83Å |
| 276 | N | 71.3 | Confident | 64.4 | Low | 119 Ų | 119 | 78.3 Ų | 78.3 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 177 | -69.3 | 12.5 | 0 | 0 | 0 | 111.8 | K272 A273 A279 A280 | K272-N276 PolarHBondContact O-N 3.26Å; K272-N276 PolarHBondContact O-OD1 3.37Å; A273-N276 PolarHBondContact O-N 3.32Å; N276-A279 PolarHBondContact O-N 3.33Å; N276-A280 WeakPolarHBondContact O-CB 3.32Å; N276-A280 PolarHBondContact O-N 2.87Å |
| 277 | A | 71.4 | Confident | 65.8 | Low | 63 Ų | 63 | 79.8 Ų | 79.8 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A273 S274 A280 A281 | A273-A277 WeakPolarHBondContact O-CB 3.31Å; A273-A277 PolarHBondContact O-N 3.31Å; S274-A277 PolarHBondContact O-N 3.3Å; A277-A280 PolarHBondContact O-N 2.94Å; A277-A281 WeakPolarHBondContact O-CB 3.46Å; A277-A281 PolarHBondContact O-N 3.48Å |
| 278 | A | 73.1 | Confident | 67.1 | Low | 58 Ų | 58 | 80.6 Ų | 80.6 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S274 R275 A281 A282 | S274-A278 VanDerWaalsContact O-CB 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.49Å; S274-A278 PolarHBondContact O-N 2.98Å; R275-A278 PolarHBondContact O-N 3.22Å; A278-A281 PolarHBondContact O-N 2.87Å; A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.43Å; A278-A282 PolarHBondContact O-N 3.37Å |
| 279 | A | 75.2 | Confident | 67.9 | Low | 60 Ų | 60 | 79.7 Ų | 79.7 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R275 N276 A282 A283 | R275-A279 VanDerWaalsContact O-CB 3.27Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 2.83Å; N276-A279 PolarHBondContact O-N 3.33Å; A279-A282 PolarHBondContact O-N 3.49Å; A279-A283 VanDerWaalsContact O-CB 3.31Å; A279-A283 WeakPolarHBondContact O-CB 3.26Å; A279-A283 PolarHBondContact O-N 2.99Å |
| 280 | A | 76 | Confident | 68.5 | Low | 53 Ų | 53 | 83.5 Ų | 83.5 | 44% | 0.438 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N276 A277 A283 M284 | N276-A280 WeakPolarHBondContact O-CB 3.32Å; N276-A280 PolarHBondContact O-N 2.87Å; A277-A280 PolarHBondContact O-N 2.94Å; A280-A283 PolarHBondContact O-N 2.77Å; A280-M284 WeakPolarHBondContact O-CG 3.46Å; A280-M284 PolarHBondContact O-N 2.89Å |
| 281 | A | 77.7 | Confident | 69.1 | Low | 61 Ų | 61 | 85.5 Ų | 85.5 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A277 A278 M284 A285 | A277-A281 WeakPolarHBondContact O-CB 3.46Å; A277-A281 PolarHBondContact O-N 3.48Å; A278-A281 PolarHBondContact O-N 2.87Å; A281-M284 PolarHBondContact O-N 3.18Å; A281-A285 WeakPolarHBondContact O-CB 3.25Å; A281-A285 PolarHBondContact O-N 3.36Å |
| 282 | A | 78.7 | Confident | 69.1 | Low | 59 Ų | 59 | 86.7 Ų | 86.7 | 49% | 0.488 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A278 A279 A285 A286 | A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.43Å; A278-A282 PolarHBondContact O-N 3.37Å; A279-A282 PolarHBondContact O-N 3.49Å; A282-A285 PolarHBondContact O-N 3.32Å; A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.25Å |
| 283 | A | 78.5 | Confident | 68.4 | Low | 62 Ų | 62 | 84 Ų | 84 | 51% | 0.512 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A279 A280 A286 A287 | A279-A283 VanDerWaalsContact O-CB 3.31Å; A279-A283 WeakPolarHBondContact O-CB 3.26Å; A279-A283 PolarHBondContact O-N 2.99Å; A280-A283 PolarHBondContact O-N 2.77Å; A283-A286 PolarHBondContact O-N 3.28Å; A283-A287 WeakPolarHBondContact O-CB 3.29Å; A283-A287 PolarHBondContact O-N 2.9Å |
| 284 | M | 77.9 | Confident | 67.9 | Low | 146 Ų | 146 | 87.2 Ų | 87.2 | 72% | 0.719 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.5 | -41.9 | 173.5 | -71.9 | -174.4 | -178.3 | 0 | 0 | 112.1 | A280 A281 A287 A288 | A280-M284 WeakPolarHBondContact O-CG 3.46Å; A280-M284 PolarHBondContact O-N 2.89Å; A281-M284 PolarHBondContact O-N 3.18Å; M284-A287 PolarHBondContact O-N 2.97Å; M284-A288 WeakPolarHBondContact O-CB 3.17Å; M284-A288 PolarHBondContact O-N 3.47Å |
| 285 | A | 77.7 | Confident | 67 | Low | 62 Ų | 62 | 87 Ų | 87 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.8 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A281 A282 A288 A289 | A281-A285 WeakPolarHBondContact O-CB 3.25Å; A281-A285 PolarHBondContact O-N 3.36Å; A282-A285 PolarHBondContact O-N 3.32Å; A285-A288 PolarHBondContact O-N 2.91Å; A285-A289 WeakPolarHBondContact O-CB 3.47Å; A285-A289 PolarHBondContact O-N 3.37Å |
| 286 | A | 75.2 | Confident | 66.1 | Low | 62 Ų | 62 | 86.2 Ų | 86.2 | 51% | 0.512 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A282 A283 A288 A289 N290 | A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.25Å; A283-A286 PolarHBondContact O-N 3.28Å; A286-A288 VanDerWaalsContact C-N 3.34Å; A286-A288 PolarHBondContact O-N 3.42Å; A286-A289 PolarHBondContact O-N 3.49Å; A286-N290 PolarHBondContact O-N 3.38Å; A286-N290 VanDerWaalsContact O-N 3.16Å |
| 287 | A | 72.9 | Confident | 64.9 | Low | 64 Ų | 64 | 86.7 Ų | 86.7 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.9 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A283 M284 | A283-A287 WeakPolarHBondContact O-CB 3.29Å; A283-A287 PolarHBondContact O-N 2.9Å; M284-A287 PolarHBondContact O-N 2.97Å |
| 288 | A | 71.1 | Confident | 63.7 | Low | 73 Ų | 73 | 89.4 Ų | 89.4 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M284 A285 A286 N290 N291 | M284-A288 WeakPolarHBondContact O-CB 3.17Å; M284-A288 PolarHBondContact O-N 3.47Å; A285-A288 PolarHBondContact O-N 2.91Å; A286-A288 VanDerWaalsContact C-N 3.34Å; A286-A288 PolarHBondContact O-N 3.42Å; A288-N290 VanDerWaalsContact C-N 3.3Å; A288-N290 PolarHBondContact O-N 2.95Å; A288-N291 PolarHBondContact O-N 3.37Å |
| 289 | A | 67.2 | Low | 62.1 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -60.7 | -37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A285 A286 N291 | A285-A289 WeakPolarHBondContact O-CB 3.47Å; A285-A289 PolarHBondContact O-N 3.37Å; A286-A289 PolarHBondContact O-N 3.49Å; A289-N291 PolarHBondContact O-N 2.95Å |
| 290 | N | 62.3 | Low | 60.5 | Low | 152 Ų | 152 | 103.1 Ų | 103.1 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 2.6 | -175.6 | -144.9 | 37.1 | 0 | 0 | 0 | 114.5 | A286 A288 | A286-N290 PolarHBondContact O-N 3.38Å; A286-N290 VanDerWaalsContact O-N 3.16Å; A288-N290 VanDerWaalsContact C-N 3.3Å; A288-N290 PolarHBondContact O-N 2.95Å |
| 291 | N | 60.5 | Low | 59.1 | Low | 150 Ų | 150 | 106.2 Ų | 106.2 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 4.8 | -176.9 | -123.9 | -21.4 | 0 | 0 | 0 | 113.9 | A288 A289 | A288-N291 PolarHBondContact O-N 3.37Å; A289-N291 PolarHBondContact O-N 2.95Å |
| 292 | G | 50.2 | Low | 57.4 | Low | 68 Ų | 68 | 108.9 Ų | 108.9 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | trans | -94.1 | 7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S294 | G292-S294 PolarHBondContact O-N 3.35Å; G292-S294 VanDerWaalsContact O-N 3.12Å | ||
| 293 | G | 38.6 | Very low | 55.8 | Low | 85 Ų | 85 | 111.9 Ų | 111.9 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | trans | -86.4 | 60.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 294 | S | 44.7 | Very low | 54 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 87% | 0.867 | 73% | 0.729 | S | S | * | * | trans | -158.4 | 123.3 | 166.3 | -170.5 | 0 | 0 | 0 | 0 | 113.2 | G292 | G292-S294 PolarHBondContact O-N 3.35Å; G292-S294 VanDerWaalsContact O-N 3.12Å | ||
| 295 | G | 42.6 | Very low | 52.2 | Low | 65 Ų | 65 | 116.4 Ų | 116.4 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | trans | 134.2 | 103.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 296 | T | 45.7 | Very low | 50.6 | Low | 143 Ų | 143 | 121.3 Ų | 121.3 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | 64.4 | 113.3 | 145.9 | -48.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 297 | T | 46.4 | Very low | 49 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -78.3 | 165.4 | 164.4 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 298 | P | 44.9 | Very low | 47.9 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | -146 | 155.9 | 102.3 | 38.3 | -24.1 | 0 | 0 | 0 | 116.5 | |||||
| 299 | F | 40.8 | Very low | 46.6 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 58.9 | 115.4 | 149.8 | -141 | -114.7 | 0 | 0 | 0 | 120.6 | V301 | F299-V301 HydrophobicContact CD1-CG2 3.92Å; F299-V301 HydrophobicContact CE1-CG2 3.45Å; F299-V301 VanDerWaalsContact CE1-CG2 3.45Å; F299-V301 HydrophobicContact CZ-CG2 4.36Å | ||
| 300 | R | 41.2 | Very low | 45.3 | Very low | 218 Ų | 218 | 131.3 Ų | 131.3 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | trans | -122.2 | 111.5 | 168.2 | -176.7 | -174.2 | -167.6 | 175.3 | 6 | 108.9 | I302 | R300-I302 HydrophobicContact CG-CG1 4.32Š| ||
| 301 | V | 47.6 | Very low | 44.6 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -76.2 | 137.3 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | F299 | F299-V301 HydrophobicContact CD1-CG2 3.92Å; F299-V301 HydrophobicContact CE1-CG2 3.45Å; F299-V301 VanDerWaalsContact CE1-CG2 3.45Å; F299-V301 HydrophobicContact CZ-CG2 4.36Å | ||
| 302 | I | 40.5 | Very low | 43.8 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 60% | 0.6 | 78% | 0.775 | S | S | * | * | trans | -123.2 | 126.4 | 175.7 | -60.3 | 173 | 0 | 0 | 0 | 107.8 | R300 K304 | R300-I302 HydrophobicContact CG-CG1 4.32Å; I302-K304 HydrophobicContact CG2-CG 4.49Å | ||
| 303 | S | 44.5 | Very low | 43.1 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -135.4 | 145.6 | 147.7 | -85.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 304 | K | 41.1 | Very low | 43.4 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -108 | 168.1 | 178 | -62 | 177.6 | 179.6 | -179.7 | 0 | 109.7 | I302 | I302-K304 HydrophobicContact CG2-CG 4.49Š| ||
| 305 | N | 40.9 | Very low | 43.2 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | trans | 154.3 | 107.8 | 134.4 | -79.7 | 20.4 | 0 | 0 | 0 | 106.8 | ||||
| 306 | E | 44.4 | Very low | 43.2 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | 86.7 | 101.9 | 82.2 | -77.9 | 169.4 | 168.2 | 0 | 0 | 112.1 | |||||
| 307 | D | 41.5 | Very low | 43.2 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 177.1 | 161.5 | -46.2 | -94.9 | 0 | 0 | 0 | 110.9 | ||||
| 308 | P | 49.7 | Very low | 43.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -142.7 | -164.4 | 11 | 43.9 | -23.4 | 0 | 0 | 0 | 116.5 | ||||
| 309 | D | 43.6 | Very low | 43.2 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 68.9 | 132.9 | 156.6 | -68.9 | -36.7 | 0 | 0 | 0 | 121.4 | ||||
| 310 | G | 39.8 | Very low | 43 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 154.5 | 100.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 311 | M | 48.4 | Very low | 43.2 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | trans | 58 | 100.6 | 140.6 | -86.3 | 42 | -176.7 | 0 | 0 | 123.2 | ||||
| 312 | Q | 42.4 | Very low | 42.8 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 84.4 | 145 | 117.1 | -70.8 | 169.4 | -1.3 | 0 | 0 | 123.4 | |||||
| 313 | R | 36.6 | Very low | 42.9 | Very low | 218 Ų | 218 | 144.2 Ų | 144.2 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | trans | -90.4 | 175.1 | 177.1 | -71.4 | -178 | 75.1 | -118.5 | 5.3 | 109.8 | ||||
| 314 | P | 45.2 | Very low | 42.6 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -147 | -149.6 | 36.5 | 43.3 | -19.1 | 0 | 0 | 0 | 116.5 | ||||
| 315 | A | 39.3 | Very low | 42.5 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | trans | -137.4 | 165.6 | -156.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 316 | T | 43.9 | Very low | 42.5 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -134.5 | 129.4 | 162.3 | 46 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 317 | V | 43.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | cis | 82.2 | 137.8 | 46.5 | 178 | 0 | 0 | 0 | 0 | 113 | ||||
| 318 | V | 44.5 | Very low | 42.6 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | 102.7 | 126.8 | -176.2 | 175.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 319 | K | 47.9 | Very low | 42.3 | Very low | 165 Ų | 165 | 138 Ų | 138 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | cis | -161.2 | 153 | -22.6 | -172.6 | -172.5 | 169.4 | -139.4 | 0 | 107.6 | E321 | K319-E321 IonicContact NZ-OE1 3.31Å; K319-E321 PolarHBondContact NZ-OE1 3.49Å | ||
| 320 | E | 35.7 | Very low | 42.4 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -76 | 153.9 | 177.1 | -54.7 | 140.9 | 131.7 | 0 | 0 | 114 | ||||
| 321 | E | 46.1 | Very low | 42.4 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -162.7 | 142.7 | 132.2 | -111.2 | 157.9 | -132.6 | 0 | 0 | 111.2 | K319 | K319-E321 IonicContact NZ-OE1 3.31Å; K319-E321 PolarHBondContact NZ-OE1 3.49Å | ||
| 322 | E | 38.1 | Very low | 42.2 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | -136.7 | 146.6 | -179.7 | -102.8 | -78.8 | 159.6 | 0 | 0 | 105.4 | S324 | E322-S324 PolarHBondContact OE2-N 3.46Š| ||
| 323 | P | 43.3 | Very low | 42.3 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -159.2 | 153 | 91 | 41.1 | -21.5 | 0 | 0 | 0 | 118.8 | |||||
| 324 | S | 38.4 | Very low | 42.8 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 56.9 | 115.8 | 136.3 | 70.3 | 0 | 0 | 0 | 0 | 120.8 | E322 | E322-S324 PolarHBondContact OE2-N 3.46Š| ||
| 325 | G | 39.4 | Very low | 42.4 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -163.2 | 140.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 326 | S | 41.3 | Very low | 42.3 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -100.6 | 173 | -169.8 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 327 | D | 44.7 | Very low | 42.1 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 106.5 | 119.2 | 147.9 | -51.1 | -50.3 | 0 | 0 | 0 | 119.6 | ||||
| 328 | D | 42.1 | Very low | 42 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 44.5 | 110.3 | 157.6 | -62 | -38.1 | 0 | 0 | 0 | 122 | ||||
| 329 | V | 42.9 | Very low | 41.5 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -114.7 | 119.4 | 157.9 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 330 | V | 46.9 | Very low | 40.9 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 67% | 0.667 | 78% | 0.775 | S | S | * | * | trans | -120.8 | 103.3 | 175.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | H332 | V330-H332 PolarHBondContact O-N 3.16Å; V330-H332 PolarHBondContact O-ND1 3.06Å | ||
| 331 | D | 38.8 | Very low | 40.7 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -52 | 128.7 | -179.5 | -98.8 | -57.2 | 0 | 0 | 0 | 113.6 | ||||
| 332 | H | 44.7 | Very low | 40.3 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | trans | -136.2 | 100.4 | 169 | -80.6 | 75.9 | 0 | 0 | 0 | 109.8 | V330 P334 | V330-H332 PolarHBondContact O-N 3.16Å; V330-H332 PolarHBondContact O-ND1 3.06Å; H332-P334 WeakPolarHBondContact O-CD 3.44Å | ||
| 333 | M | 44.2 | Very low | 40.1 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 125.8 | 170.6 | -88.5 | 177.8 | 55.2 | 0 | 0 | 111.1 | ||
| 334 | P | 47.4 | Very low | 39.9 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 132.7 | 164.3 | 32.1 | -31.6 | 0 | 0 | 0 | 110.6 | H332 | H332-P334 WeakPolarHBondContact O-CD 3.44Š|
| 335 | N | 36.4 | Very low | 39.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 132.4 | 160.7 | -87.4 | -43.4 | 0 | 0 | 0 | 108.3 | ||
| 336 | D | 37 | Very low | 39.1 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -156.5 | 151.6 | 152.5 | -140.9 | -23.8 | 0 | 0 | 0 | 113.4 | ||||
| 337 | L | 41.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 63.4 | 147.4 | 169.2 | -52.2 | 175.6 | 0 | 0 | 0 | 117.3 | ||||
| 338 | L | 41.3 | Very low | 38.1 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | cis | -141.9 | 153.1 | 6.3 | -139 | 154.3 | 0 | 0 | 0 | 111.7 | ||||
| 339 | V | 34 | Very low | 37.5 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.715 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 145.5 | -174.8 | 176 | 0 | 0 | 0 | 0 | 113.7 | E341 | V339-E341 HydrophobicContact CG1-CG 4.03Š| ||
| 340 | G | 34.7 | Very low | 37.1 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -142.7 | 66.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R342 | G340-R342 PolarHBondContact O-N 3.17Š| ||
| 341 | E | 32 | Very low | 37.1 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -57.1 | 134.7 | 177 | -79.1 | -169.4 | 83.2 | 0 | 0 | 112.4 | V339 | V339-E341 HydrophobicContact CG1-CG 4.03Š| ||
| 342 | R | 37.8 | Very low | 36.8 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -145.9 | 108.3 | 161.2 | -137.3 | 179.3 | -70 | -177.6 | -1.7 | 110.4 | G340 I344 | G340-R342 PolarHBondContact O-N 3.17Å; R342-I344 PolarHBondContact O-N 3.46Å | ||
| 343 | K | 33.1 | Very low | 36.3 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -54.4 | 127.4 | 167.8 | -69.9 | 177.5 | 177.1 | 176.3 | 0 | 108.9 | ||||
| 344 | I | 39.6 | Very low | 36.1 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -119.7 | 132.4 | 163.5 | -61.3 | -177.1 | 0 | 0 | 0 | 107.1 | R342 | R342-I344 PolarHBondContact O-N 3.46Š| ||
| 345 | N | 32.3 | Very low | 35.8 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 151 | -167.6 | -176.5 | 49.8 | 0 | 0 | 0 | 113 | Q347 | N345-Q347 PolarHBondContact O-N 2.96Š| ||
| 346 | S | 29.2 | Very low | 36.2 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -60.6 | 125.6 | 168.8 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 347 | Q | 35.2 | Very low | 36.4 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | -135.8 | 141.5 | 158.8 | -75.5 | -164.7 | -41.8 | 0 | 0 | 109 | N345 C349 | N345-Q347 PolarHBondContact O-N 2.96Å; Q347-C349 PolarHBondContact O-N 2.78Å | ||
| 348 | E | 28.9 | Very low | 36.6 | Very low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | trans | -70.1 | 128 | -172.3 | -59 | 110.2 | 108 | 0 | 0 | 113 | T350 | E348-T350 HydrophobicContact CB-CG2 4.4Š| ||
| 349 | C | 30.5 | Very low | 36.7 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | trans | -106.3 | 81.9 | 155.2 | -85.4 | 0 | 0 | 0 | 0 | 108.3 | Q347 P351 | Q347-C349 PolarHBondContact O-N 2.78Å; C349-P351 WeakPolarHBondContact O-CD 3.12Å | ||
| 350 | T | 34.6 | Very low | 37.1 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | trans | -59 | 124.3 | 172.1 | 45.1 | 0 | 0 | 0 | 0 | 109.3 | E348 S352 | E348-T350 HydrophobicContact CB-CG2 4.4Å; T350-S352 PolarHBondContact O-N 3.4Å | ||
| 351 | P | 45.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | trans | -76.3 | 91.9 | 179 | 29.8 | -32.8 | 0 | 0 | 0 | 108.5 | C349 M353 | C349-P351 WeakPolarHBondContact O-CD 3.12Å; P351-M353 PolarHBondContact O-N 3.31Å | ||
| 352 | S | 34.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -42 | 107.8 | 179 | -76.5 | 0 | 0 | 0 | 0 | 111.1 | T350 M354 | T350-S352 PolarHBondContact O-N 3.4Å; S352-M354 PolarHBondContact O-N 3.12Å | ||
| 353 | M | 34.4 | Very low | 38.1 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 66% | 0.655 | 74% | 0.736 | S | S | * | * | trans | -71.8 | 99.1 | 175 | -69.8 | -141.8 | -63.9 | 0 | 0 | 107.8 | P351 L355 | P351-M353 PolarHBondContact O-N 3.31Å; M353-L355 HydrophobicContact CE-CD1 4.06Å; M353-L355 PolarHBondContact O-N 3.5Å | ||
| 354 | M | 38.7 | Very low | 38.5 | Very low | 159 Ų | 159 | 130.2 Ų | 130.2 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | -71.6 | 60.1 | 161.8 | -165.7 | 174.1 | -75.9 | 0 | 0 | 109.3 | S352 M356 | S352-M354 PolarHBondContact O-N 3.12Å; M354-M356 PolarHBondContact O-N 3.3Å | ||
| 355 | L | 41 | Very low | 38.5 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 67% | 0.665 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 116.7 | 146.9 | -88.3 | 165.1 | 0 | 0 | 0 | 105.3 | M353 Q357 | M353-L355 HydrophobicContact CE-CD1 4.06Å; M353-L355 PolarHBondContact O-N 3.5Å; L355-Q357 PolarHBondContact O-N 3.45Å |
| 356 | M | 46 | Very low | 38.9 | Very low | 63 Ų | 63 | 127.3 Ų | 127.3 | 31% | 0.31 | 73% | 0.731 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 124.6 | 159.3 | -70.3 | 176.9 | 169.2 | 0 | 0 | 105.8 | R207 M354 D358 | R207-M356 HydrophobicContact CG-CE 3.88Å; R207-M356 HydrophobicContact CG-SD 4.09Å; M354-M356 PolarHBondContact O-N 3.3Å; M356-D358 PolarHBondContact O-N 2.78Å |
| 357 | Q | 39.6 | Very low | 39.4 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 120.7 | 152.4 | -83 | 77.2 | 5.8 | 0 | 0 | 107.3 | L355 | L355-Q357 PolarHBondContact O-N 3.45Š|
| 358 | D | 45.5 | Very low | 39.7 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -82.3 | 104.1 | 157.5 | -88.1 | -72.6 | 0 | 0 | 0 | 105.7 | M356 G360 | M356-D358 PolarHBondContact O-N 2.78Å; D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.48Å | ||
| 359 | D | 45 | Very low | 40.2 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -66.1 | 89.3 | 169.6 | -68.2 | -61.4 | 0 | 0 | 0 | 108.4 | Q361 | D359-Q361 PolarHBondContact O-N 2.74Å; D359-Q361 VanDerWaalsContact O-N 3.15Å | ||
| 360 | G | 41.2 | Very low | 40.7 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -62.2 | 115 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | D358 S362 | D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.48Å; G360-S362 PolarHBondContact O-N 3.35Å | ||
| 361 | Q | 41.3 | Very low | 41.1 | Very low | 187 Ų | 187 | 129.4 Ų | 129.4 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -64.4 | 103.8 | 171.6 | -70.6 | -174.6 | -91.9 | 0 | 0 | 109.3 | D359 V363 | D359-Q361 PolarHBondContact O-N 2.74Å; D359-Q361 VanDerWaalsContact O-N 3.15Å; Q361-V363 PolarHBondContact O-N 3.35Å | ||
| 362 | S | 34.7 | Very low | 41 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | -57.5 | 128.9 | 166.5 | -168.7 | 0 | 0 | 0 | 0 | 109 | G360 | G360-S362 PolarHBondContact O-N 3.35Š| ||
| 363 | V | 49.2 | Very low | 41.3 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -124.3 | 110.6 | 166.3 | -75.8 | 0 | 0 | 0 | 0 | 107 | Q361 P365 | Q361-V363 PolarHBondContact O-N 3.35Å; V363-P365 WeakPolarHBondContact O-CD 3.45Å | ||
| 364 | D | 42.9 | Very low | 41.8 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | -70.2 | 132.8 | -165.5 | -57.4 | -75.2 | 0 | 0 | 0 | 113.3 | ||||
| 365 | P | 40 | Very low | 42.1 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -104.4 | 84.4 | 163.6 | 35.1 | -24.9 | 0 | 0 | 0 | 109.7 | V363 | V363-P365 WeakPolarHBondContact O-CD 3.45Š| ||
| 366 | S | 39.8 | Very low | 42.1 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -153.1 | 144 | 172.2 | -83.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 367 | S | 39.6 | Very low | 42 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 60.9 | 98.9 | 172.3 | -58.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 368 | Q | 42.4 | Very low | 42 | Very low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | -157.4 | 106.6 | 116 | -90.3 | -51.9 | -16.3 | 0 | 0 | 108.8 | |||||
| 369 | L | 37.6 | Very low | 41.8 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -84.2 | 134 | 171.3 | -78.4 | 160.6 | 0 | 0 | 0 | 109.3 | ||||
| 370 | L | 42.6 | Very low | 41.4 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -162 | 122.4 | 158.2 | -106 | 153.5 | 0 | 0 | 0 | 109.9 | ||||
| 371 | S | 41.8 | Very low | 41.3 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -101 | 171.5 | 171.2 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 372 | P | 43.9 | Very low | 41.1 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | -151.2 | 131.7 | 98.4 | 35.3 | -16.6 | 0 | 0 | 0 | 117.1 | |||||
| 373 | S | 39.5 | Very low | 41.6 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 61.7 | 159.6 | 135.9 | -64.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 374 | P | 46.2 | Very low | 40.9 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -121.6 | -177 | -153.8 | 43.7 | -31.6 | 0 | 0 | 0 | 115.5 | ||||
| 375 | N | 44.3 | Very low | 40.9 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -138.6 | 159.7 | 155.5 | -99.5 | -46.4 | 0 | 0 | 0 | 110.9 | ||||
| 376 | T | 41.7 | Very low | 40.8 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | trans | -106.1 | -167.5 | -159.1 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 377 | H | 42.2 | Very low | 40.7 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | 84.3 | 102.5 | -175.7 | -51.5 | -76.1 | 0 | 0 | 0 | 113.5 | ||||
| 378 | A | 40.8 | Very low | 40.7 | Very low | 91 Ų | 91 | 142.8 Ų | 142.8 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | cis | 74.1 | 101.6 | 27.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 379 | L | 41 | Very low | 40.4 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | -168.6 | 166.7 | 116.4 | -99.3 | 172.7 | 0 | 0 | 0 | 111.2 | |||||
| 380 | L | 35.8 | Very low | 40.2 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -100.1 | 151.8 | -174.5 | -55.7 | 94.6 | 0 | 0 | 0 | 113.2 | ||||
| 381 | S | 38.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 122.6 | 138.5 | 52 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 382 | S | 37.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -95 | 145.4 | 168.3 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 383 | V | 44.5 | Very low | 39.1 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | trans | -143.4 | 111.4 | 151.2 | -108.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 384 | D | 34.6 | Very low | 38.6 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -93.6 | 140 | 171.4 | -142.1 | -43.6 | 0 | 0 | 0 | 108.2 | ||||
| 385 | M | 44.3 | Very low | 38.2 | Very low | 186 Ų | 186 | 135 Ų | 135 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -161.3 | 140.9 | 162.4 | -115.4 | -60 | 158 | 0 | 0 | 110.4 | ||||
| 386 | Q | 37.1 | Very low | 37.5 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 158.7 | -152.2 | -163.9 | 170.4 | 13.3 | 0 | 0 | 113.3 | ||||
| 387 | S | 38 | Very low | 37.7 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 81% | 0.814 | S | S | * | * | trans | 101 | 145.9 | 142.3 | -149.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 388 | Q | 40 | Very low | 37.2 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | 67.3 | 136.7 | 170 | -46.6 | -172.6 | 85.4 | 0 | 0 | 115.8 | ||||
| 389 | G | 35.2 | Very low | 37 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | cis | 141.6 | 102.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 390 | G | 34.5 | Very low | 37 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -179.8 | 113.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 391 | S | 31.4 | Very low | 37.6 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -113.9 | 111.7 | 174.5 | 162.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 392 | V | 35.6 | Very low | 37.7 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -139.1 | 154 | 161.8 | -164.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 393 | V | 36.9 | Very low | 37.6 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | trans | -99.8 | 163.2 | -163.4 | -69.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 394 | D | 29.8 | Very low | 37.5 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | 89.5 | 154.4 | 135.9 | -101.6 | -51.7 | 0 | 0 | 0 | 124.2 | ||||
| 395 | T | 37.2 | Very low | 37.7 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | 72.6 | 113.7 | 165.3 | -42.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 396 | C | 30.5 | Very low | 37.3 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 133.2 | 157.2 | -60.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 397 | P | 45.2 | Very low | 37.3 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 134.4 | 169 | 32.9 | -31.4 | 0 | 0 | 0 | 111 | ||
| 398 | N | 33 | Very low | 37.3 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 139.6 | 173.8 | -131.1 | -12.1 | 0 | 0 | 0 | 109.5 | ||
| 399 | G | 36.2 | Very low | 37.3 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -142.1 | 119.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 400 | S | 39.6 | Very low | 37.5 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -144.5 | 174.8 | -174.9 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 401 | P | 48.8 | Very low | 37.6 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | -126.9 | -167.3 | -57.1 | 38.8 | -24.5 | 0 | 0 | 0 | 110.1 | |||||
| 402 | S | 40.5 | Very low | 37.9 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -142.6 | 159.7 | 163.8 | -82.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 403 | S | 37.2 | Very low | 38 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -123.6 | 161 | -157.8 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 404 | M | 41.4 | Very low | 38.4 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 86% | 0.862 | 81% | 0.811 | S | S | * | * | trans | -164 | 149.4 | 147.6 | -118.7 | 170.7 | -74.6 | 0 | 0 | 114.1 | ||||
| 405 | Q | 39.3 | Very low | 38.7 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | 5.2 | 132.7 | 162.1 | -91.7 | 41.6 | 44.1 | 0 | 0 | 120.6 | ||||
| 406 | Q | 35.4 | Very low | 39.1 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | cis | 93.4 | 100.7 | 27.7 | -171.4 | -171.1 | 42.3 | 0 | 0 | 115.3 | ||||
| 407 | A | 37.3 | Very low | 39.3 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 174.3 | 162.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 408 | S | 39.3 | Very low | 39 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | -173.6 | 132.4 | -60.3 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 409 | D | 39.3 | Very low | 39.4 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 73.3 | 163.4 | 154.4 | -59.7 | -45.8 | 0 | 0 | 0 | 124 | ||||
| 410 | A | 40 | Very low | 39.7 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | 88 | 134.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 411 | A | 35.4 | Very low | 39.8 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -106.1 | 161.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 412 | G | 38 | Very low | 39.3 | Very low | 80 Ų | 80 | 141.8 Ų | 141.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -151.1 | 106 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 413 | Q | 37.4 | Very low | 39.3 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -89.1 | 135.6 | 175.6 | -173.8 | 174 | 9.2 | 0 | 0 | 109.2 | ||||
| 414 | M | 46.3 | Very low | 39.9 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -132.6 | 123 | 172.8 | -73 | -149.3 | -66.6 | 0 | 0 | 112.3 | ||||
| 415 | D | 36.1 | Very low | 39.8 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -126.3 | 121.8 | 162.7 | 178.4 | -0.6 | 0 | 0 | 0 | 106.1 | ||||
| 416 | I | 44.7 | Very low | 40 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 73% | 0.728 | 82% | 0.817 | S | S | * | * | trans | -139.9 | 107.3 | 175.3 | -59.5 | -177 | 0 | 0 | 0 | 109 | ||||
| 417 | S | 36.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -91.8 | 130.3 | 159.3 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 418 | G | 38.1 | Very low | 41 | Very low | 58 Ų | 58 | 147.9 Ų | 147.9 | 60% | 0.598 | 82% | 0.819 | S | S | * | * | trans | 146 | 141.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 419 | L | 40.2 | Very low | 41.3 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | 59.9 | 128.2 | 161.8 | -66.7 | 76.5 | 0 | 0 | 0 | 116.9 | ||||
| 420 | H | 43.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | cis | -148 | 148.4 | 43.9 | -85.6 | 92.1 | 0 | 0 | 0 | 114.6 | ||||
| 421 | H | 41 | Very low | 41.9 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -73.5 | 138.2 | 154.6 | -79.4 | -37.9 | 0 | 0 | 0 | 111 | ||||
| 422 | R | 38.7 | Very low | 42.3 | Very low | 251 Ų | 251 | 148.9 Ų | 148.9 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -148.4 | 133.9 | 144.9 | -158.9 | 162.1 | -177.6 | 137.3 | -0.8 | 112.5 | ||||
| 423 | A | 41.2 | Very low | 42.7 | Very low | 83 Ų | 83 | 150 Ų | 150 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | -60.3 | 152.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 424 | M | 49.2 | Very low | 43.3 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 96% | 0.956 | 80% | 0.799 | S | S | * | * | -134.3 | 133.2 | 128.9 | -78.4 | -67.5 | 176.5 | 0 | 0 | 107.8 | |||||
| 425 | A | 40.4 | Very low | 43.1 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -154 | 154.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 426 | R | 42.6 | Very low | 43.4 | Very low | 244 Ų | 244 | 139.7 Ų | 139.7 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 75.3 | 101.5 | 179.8 | -58.5 | -172.7 | -77.3 | -166.6 | -6 | 117.3 | ||||
| 427 | K | 48 | Very low | 43.3 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | -137.5 | 150 | 119.1 | -160.5 | 79.6 | -178 | -169.2 | 0 | 107.7 | |||||
| 428 | L | 45.3 | Very low | 43.5 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -113.1 | -178.2 | 179.6 | -70.9 | 167.7 | 0 | 0 | 0 | 110 | ||||
| 429 | D | 45.6 | Very low | 43.5 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 109.2 | 138.4 | 151.4 | -50.5 | -42.8 | 0 | 0 | 0 | 117.4 | ||||
| 430 | G | 42.6 | Very low | 43.8 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 83.2 | 104.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 431 | V | 49.4 | Very low | 43.8 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | cis | 65.9 | 88 | 18.7 | -165.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 432 | D | 44.2 | Very low | 43.9 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | -161.3 | 172.1 | 112.4 | -143.1 | -114.9 | 0 | 0 | 0 | 112.5 | |||||
| 433 | S | 46.1 | Very low | 44 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | trans | -173.9 | 175.1 | -175.4 | -75.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 434 | P | 51.1 | Low | 44.1 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | cis | -123.3 | -167 | -12.7 | 33.2 | -12.9 | 0 | 0 | 0 | 111.7 | ||||
| 435 | G | 42.3 | Very low | 43.7 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -171.7 | 77.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 436 | G | 40.9 | Very low | 44 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 75.6 | 151.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 437 | G | 42.2 | Very low | 43.6 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | cis | 161.5 | 103.8 | -11 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 438 | G | 41.2 | Very low | 43.2 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | 72 | 151.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 439 | G | 38.8 | Very low | 42.9 | Very low | 64 Ų | 64 | 114.4 Ų | 114.4 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | cis | 172.5 | 131.2 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 440 | P | 45.8 | Very low | 42.5 | Very low | 137 Ų | 137 | 113 Ų | 113 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | trans | -84.2 | 139.6 | -178.8 | 33 | -33.3 | 0 | 0 | 0 | 111.8 | ||||
| 441 | T | 44.3 | Very low | 43 | Very low | 145 Ų | 145 | 115 Ų | 115 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -119.2 | 130.3 | 174.2 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 442 | S | 41.3 | Very low | 42.5 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -110.4 | 130 | -177.2 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 443 | S | 42.5 | Very low | 42.5 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -150.9 | 113.6 | 158.8 | 48.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 444 | S | 41.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | 90.5 | 116.3 | 67.1 | -68.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 445 | T | 41.9 | Very low | 41.9 | Very low | 136 Ų | 136 | 118.6 Ų | 118.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -39.2 | 171.1 | 163.4 | 26.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 446 | P | 45.3 | Very low | 42 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | cis | -138.5 | -174.8 | 23.3 | 41 | -21.1 | 0 | 0 | 0 | 117.8 | ||||
| 447 | M | 35.5 | Very low | 41.9 | Very low | 188 Ų | 188 | 119.9 Ų | 119.9 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -93.7 | 142.4 | 171.7 | -84.8 | -86.8 | 178.5 | 0 | 0 | 112.7 | ||||
| 448 | C | 39 | Very low | 41.8 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 92% | 0.919 | 80% | 0.802 | S | S | * | * | trans | -168.1 | 149 | 164.9 | -165.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 449 | G | 39.4 | Very low | 41.8 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | cis | -165.1 | 174.9 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 450 | S | 37.1 | Very low | 42.2 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -79.3 | 176.7 | -169.1 | -45.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 451 | P | 53 | Low | 41.9 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | -146.1 | 148 | 91.9 | 40.3 | -25 | 0 | 0 | 0 | 117 | |||||
| 452 | R | 39.7 | Very low | 41.9 | Very low | 211 Ų | 211 | 123.7 Ų | 123.7 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | 42 | 133.6 | 125.3 | -63.3 | -173.5 | 84.8 | 152.4 | 2.2 | 119.1 | |||||
| 453 | E | 43.4 | Very low | 41.9 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | cis | -160.1 | 174.6 | 15.3 | -79.7 | -124.3 | 169.9 | 0 | 0 | 110.5 | ||||
| 454 | A | 41.3 | Very low | 41.9 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 58% | 0.579 | 79% | 0.794 | S | S | * | * | cis | -176.1 | 177.9 | -30.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 455 | I | 43.8 | Very low | 42.1 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | 66.5 | 123 | 164.3 | -55.9 | 159.6 | 0 | 0 | 0 | 118.3 | ||||
| 456 | G | 44 | Very low | 42.3 | Very low | 79 Ų | 79 | 127.2 Ų | 127.2 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 158.4 | 89.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 457 | S | 38.9 | Very low | 42.2 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -127.6 | 138 | -169.7 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 458 | V | 40.9 | Very low | 42.3 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -150.9 | 157.1 | 146.7 | 163.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 459 | T | 41.1 | Very low | 42.4 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | -129.9 | 178.1 | -162 | 42.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 460 | M | 45.9 | Very low | 42.3 | Very low | 187 Ų | 187 | 126.4 Ų | 126.4 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | 76.4 | 142.5 | 178.5 | -41.1 | -51.8 | -171.3 | 0 | 0 | 114.6 | ||||
| 461 | G | 41 | Very low | 42.3 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | cis | 140.1 | 144.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 462 | G | 42.5 | Very low | 41.7 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | cis | -172.2 | 176.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 463 | D | 43.1 | Very low | 41.7 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 96% | 0.963 | 79% | 0.791 | S | S | * | * | trans | 58.7 | 147.1 | 166.4 | -48.1 | -41.9 | 0 | 0 | 0 | 119.9 | ||||
| 464 | G | 42.2 | Very low | 41.4 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 179 | 149.4 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 465 | H | 45.9 | Very low | 41.8 | Very low | 193 Ų | 193 | 127.3 Ų | 127.3 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | 57.5 | 143.1 | 159.8 | -94.6 | -90.3 | 0 | 0 | 0 | 124.5 | ||||
| 466 | P | 46 | Very low | 41.7 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -117 | 162.6 | 174.5 | 41.9 | -33.3 | 0 | 0 | 0 | 116.4 | ||||
| 467 | A | 41.9 | Very low | 41.7 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -157 | 142.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 468 | V | 37.3 | Very low | 42.1 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | cis | 93.9 | 53 | 7.3 | -160.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 469 | I | 41.6 | Very low | 42.7 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -151.5 | 150 | 166.3 | -51.3 | -179.6 | 0 | 0 | 0 | 108.5 | ||||
| 470 | S | 37.3 | Very low | 43.1 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | -169.5 | -163.9 | -36.1 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 471 | Y | 37 | Very low | 42.7 | Very low | 237 Ų | 237 | 126.5 Ų | 126.5 | 93% | 0.929 | 79% | 0.794 | S | S | * | * | trans | -86.6 | 154.7 | -175.5 | -57.1 | -91.5 | 0 | 0 | 0 | 116.7 | ||||
| 472 | G | 40.7 | Very low | 43 | Very low | 62 Ų | 62 | 131.8 Ų | 131.8 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | trans | 164.5 | 95.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 473 | T | 39.9 | Very low | 42.7 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | 81.3 | 126.3 | 94.3 | 51.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 474 | S | 37.5 | Very low | 42.6 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -75.8 | -168.1 | 178.9 | -30.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 475 | P | 49.5 | Very low | 42.3 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | cis | -140.5 | -159.2 | 0.5 | 34.7 | -9.6 | 0 | 0 | 0 | 115.3 | ||||
| 476 | T | 42 | Very low | 42 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 80.2 | 145.6 | 155 | -54.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 477 | S | 42.7 | Very low | 41.5 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -144.6 | 167.1 | 4.3 | 34.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 478 | L | 47.6 | Very low | 41.4 | Very low | 169 Ų | 169 | 136.2 Ų | 136.2 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | trans | -94.1 | 154.1 | 164.4 | -70.8 | 167.5 | 0 | 0 | 0 | 112.4 | ||||
| 479 | P | 54 | Low | 41.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -97.2 | 164.1 | 157.6 | 36.8 | -30.8 | 0 | 0 | 0 | 112.9 | ||||
| 480 | P | 48.7 | Very low | 41.3 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -122.2 | 166.2 | -158 | 42.4 | -31.1 | 0 | 0 | 0 | 117.5 | ||||
| 481 | L | 39 | Very low | 41.4 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 34.3 | 128 | 145.5 | -74.8 | 164.5 | 0 | 0 | 0 | 121.1 | ||||
| 482 | M | 47.5 | Very low | 41.4 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | -143.5 | 135.1 | 126.6 | -136 | 180 | -169.8 | 0 | 0 | 111.5 | |||||
| 483 | T | 36.5 | Very low | 41.4 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -116.7 | 132.3 | -175.2 | -50.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 484 | Q | 40.2 | Very low | 41 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -138.2 | 147.3 | 155.3 | -73.4 | -156 | 36 | 0 | 0 | 110.6 | ||||
| 485 | S | 34.7 | Very low | 41 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | -131.1 | 129.9 | -177.7 | 134.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 486 | Y | 40.2 | Very low | 40.3 | Very low | 221 Ų | 221 | 138 Ų | 138 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -134.4 | 141 | 161.3 | -93.7 | -81.2 | 0 | 0 | 0 | 110.4 | ||||
| 487 | S | 36.6 | Very low | 40.1 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -110.2 | -179.8 | -171.9 | -47.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 488 | S | 38.6 | Very low | 39.7 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 93.9 | 114.5 | 152.2 | -66.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 489 | F | 36.7 | Very low | 39.5 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | 108.3 | 127.8 | 122.3 | -108.9 | -92.4 | 0 | 0 | 0 | 121.2 | |||||
| 490 | G | 40.1 | Very low | 38.6 | Very low | 64 Ų | 64 | 143.8 Ų | 143.8 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | 91.4 | 139 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 491 | Q | 40.3 | Very low | 38.1 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | cis | -160.6 | 152.1 | -19.7 | -158.8 | 84 | -7.9 | 0 | 0 | 107.6 | ||||
| 492 | L | 35.9 | Very low | 38.3 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -84.6 | 160.9 | 178.8 | -60.3 | 171.9 | 0 | 0 | 0 | 112 | ||||
| 493 | P | 40.5 | Very low | 38 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -128.6 | 142.1 | 75.1 | 37.3 | -26.2 | 0 | 0 | 0 | 112.7 | |||||
| 494 | S | 32.7 | Very low | 38.1 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | 67 | 90.3 | 55.8 | -160.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 495 | Y | 37.4 | Very low | 38.1 | Very low | 230 Ų | 230 | 139.1 Ų | 139.1 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -139.1 | 137.3 | 148.7 | -141.4 | -90.3 | 0 | 0 | 0 | 107.7 | ||||
| 496 | A | 35.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | trans | -112.2 | 144.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 497 | Q | 37.1 | Very low | 38.7 | Very low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -159.3 | 142.3 | 146.4 | -112.7 | 160.3 | -0.9 | 0 | 0 | 110.7 | ||||
| 498 | D | 35.2 | Very low | 39.3 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -87.3 | 164.6 | -165.3 | -94.5 | -59.7 | 0 | 0 | 0 | 114.5 | ||||
| 499 | P | 43.7 | Very low | 39.6 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | trans | -85.7 | -166.7 | -174.7 | 36.2 | -36.9 | 0 | 0 | 0 | 113.9 | ||||
| 500 | F | 34.5 | Very low | 39.5 | Very low | 201 Ų | 201 | 132 Ų | 132 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | trans | 82.7 | 65.6 | 179.9 | -56.1 | -77.3 | 0 | 0 | 0 | 117.3 | ||||
| 501 | G | 38.7 | Very low | 39.7 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | -95.6 | 141.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 111 | L503 | G501-L503 PolarHBondContact O-N 3.03Å; G501-L503 VanDerWaalsContact O-N 3.17Å | ||
| 502 | P | 42.9 | Very low | 40.1 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | trans | -71.2 | 110.6 | 176.2 | 28.7 | -32.9 | 0 | 0 | 0 | 110.2 | S504 | P502-S504 PolarHBondContact O-N 2.83Š| ||
| 503 | L | 39.5 | Very low | 40.1 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 90% | 0.901 | 74% | 0.736 | S | S | * | * | trans | -71.3 | 76.7 | 172.4 | -66.3 | -179.6 | 0 | 0 | 0 | 110.6 | G501 F505 | G501-L503 PolarHBondContact O-N 3.03Å; G501-L503 VanDerWaalsContact O-N 3.17Å; L503-F505 PolarHBondContact O-N 2.9Å | ||
| 504 | S | 38.7 | Very low | 40.3 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -59.6 | 103.9 | 165 | 176 | 0 | 0 | 0 | 0 | 108.3 | P502 S506 | P502-S504 PolarHBondContact O-N 2.83Å; S504-S506 PolarHBondContact O-N 2.87Å; S504-S506 PolarHBondContact O-OG 3.35Å; S504-S506 PolarHBondContact OG-OG 3.37Å | ||
| 505 | F | 40.8 | Very low | 41 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | -75 | 71.7 | 179 | -154.1 | -88.8 | 0 | 0 | 0 | 109.8 | L503 H507 | L503-F505 PolarHBondContact O-N 2.9Å; F505-H507 PolarHBondContact O-N 3.16Å | ||
| 506 | S | 42.5 | Very low | 40.9 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | trans | -63.9 | 97.4 | -178.5 | -64.7 | 0 | 0 | 0 | 0 | 109.8 | S504 | S504-S506 PolarHBondContact O-N 2.87Å; S504-S506 PolarHBondContact O-OG 3.35Å; S504-S506 PolarHBondContact OG-OG 3.37Å | ||
| 507 | H | 45 | Very low | 41.2 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 60% | 0.597 | 74% | 0.743 | S | S | * | * | trans | -51.3 | 142 | 174.6 | -98.3 | -92.6 | 0 | 0 | 0 | 110.6 | F505 F509 S510 | F505-H507 PolarHBondContact O-N 3.16Å; H507-F509 PolarHBondContact O-N 3.39Å; H507-S510 PolarHBondContact O-N 2.98Å; H507-S510 VanDerWaalsContact O-N 3.13Å | ||
| 508 | P | 49.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 20.8 | -178.5 | 30.1 | -36.9 | 0 | 0 | 0 | 114.6 | ||
| 509 | F | 44.5 | Very low | 41.4 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 17.9 | 179.1 | -62.3 | -72.8 | 0 | 0 | 0 | 112.4 | H507 I511 | H507-F509 PolarHBondContact O-N 3.39Å; F509-I511 PolarHBondContact O-N 3.24Å |
| 510 | S | 35.7 | Very low | 41 | Very low | 63 Ų | 63 | 134 Ų | 134 | 44% | 0.441 | 75% | 0.747 | S | S | . | * | trans | -74.8 | 123.9 | 172.9 | -166 | 0 | 0 | 0 | 0 | 110.7 | H507 T512 | H507-S510 PolarHBondContact O-N 2.98Å; H507-S510 VanDerWaalsContact O-N 3.13Å; S510-T512 PolarHBondContact O-N 2.92Å; S510-T512 VanDerWaalsContact O-N 3.12Å | ||
| 511 | I | 43.4 | Very low | 41.4 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -66.9 | -15.8 | -169.6 | -64.1 | 171.6 | 0 | 0 | 0 | 112.7 | F509 N513 | F509-I511 PolarHBondContact O-N 3.24Å; I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.31Å |
| 512 | T | 48.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -74 | -12.3 | -173.8 | -28.6 | 0 | 0 | 0 | 0 | 115.4 | S510 | S510-T512 PolarHBondContact O-N 2.92Å; S510-T512 VanDerWaalsContact O-N 3.12Å |
| 513 | N | 37.1 | Very low | 40.8 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -101.6 | 18.5 | -175.4 | -74.6 | -22.8 | 0 | 0 | 0 | 114.4 | I511 | I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.31Å |
| 514 | L | 43.7 | Very low | 40.7 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -90.8 | 10.5 | -175.2 | -139.4 | 82.4 | 0 | 0 | 0 | 114.9 | ||
| 515 | I | 46.7 | Very low | 40.4 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -136.3 | 43.5 | -169.5 | -35.4 | -179.5 | 0 | 0 | 0 | 112.7 | ||
| 516 | D | 36 | Very low | 39.8 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -159.3 | -178.7 | 153.8 | -148.8 | -24.4 | 0 | 0 | 0 | 110.3 | ||||
| 517 | S | 41.2 | Very low | 39.2 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | 77.2 | 42 | 175.6 | -54.2 | 0 | 0 | 0 | 0 | 116.9 | K519 | S517-K519 PolarHBondContact O-N 3.12Š| ||
| 518 | T | 36.6 | Very low | 38.6 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -73.4 | 76.7 | 152.7 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 519 | K | 40.9 | Very low | 38 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -160.6 | 143.5 | 167.5 | -107.4 | 146.7 | -171.9 | 173.3 | 0 | 111.7 | S517 | S517-K519 PolarHBondContact O-N 3.12Š| ||
| 520 | A | 34 | Very low | 37.6 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | -89.4 | 150.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 521 | V | 42.8 | Very low | 37.6 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 89% | 0.891 | 79% | 0.788 | S | S | * | * | trans | -133.5 | 137.4 | 156.4 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 522 | N | 36.1 | Very low | 37.4 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | -97.9 | -176.8 | -167.9 | -66.2 | -23.7 | 0 | 0 | 0 | 113.1 | ||||
| 523 | D | 34.6 | Very low | 36.8 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 71.9 | 90.2 | 150.4 | -55.6 | -44.4 | 0 | 0 | 0 | 118.8 | ||||
| 524 | Y | 37.3 | Very low | 36.9 | Very low | 241 Ų | 241 | 139.1 Ų | 139.1 | 95% | 0.945 | 79% | 0.791 | S | S | * | * | -143.3 | 90.9 | 128.1 | -82 | -59.4 | 0 | 0 | 0 | 112.4 | |||||
| 525 | N | 30.8 | Very low | 36.6 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | 41 | 112.6 | 148.3 | -159.2 | -15.6 | 0 | 0 | 0 | 120.1 | S527 | N525-S527 PolarHBondContact OD1-N 3.32Å; N525-S527 PolarHBondContact OD1-OG 3.36Å | ||
| 526 | L | 29.9 | Very low | 36.2 | Very low | 182 Ų | 182 | 139 Ų | 139 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | -137.1 | 94 | 154.9 | -167.6 | 72.8 | 0 | 0 | 0 | 111.1 | ||||
| 527 | S | 30.1 | Very low | 36.3 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -156.4 | 155.6 | 172.7 | 66.4 | 0 | 0 | 0 | 0 | 108 | N525 | N525-S527 PolarHBondContact OD1-N 3.32Å; N525-S527 PolarHBondContact OD1-OG 3.36Å | ||
| 528 | C | 31.8 | Very low | 35.9 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | cis | -156.9 | -179.1 | 13.6 | 38.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 529 | Y | 36.6 | Very low | 35.9 | Very low | 229 Ų | 229 | 140.4 Ų | 140.4 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 68.3 | 140.1 | -178.1 | -54 | -89.6 | 0 | 0 | 0 | 115 | ||||
| 530 | G | 35.4 | Very low | 35.8 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 165.6 | 166.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 531 | N | 36.3 | Very low | 36.1 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | cis | -163.3 | 157.8 | -10.3 | -178.9 | 25.9 | 0 | 0 | 0 | 108.6 | ||||
| 532 | G | 38.8 | Very low | 35.9 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 166.7 | 108.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 533 | T | 36.9 | Very low | 36.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -88.2 | 141.6 | -178.3 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 534 | S | 38.6 | Very low | 36.7 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | -176.5 | 126.7 | 94.9 | -68 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 535 | Q | 37 | Very low | 36.9 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | 99.7 | 140.6 | 57.9 | -96 | -69.8 | 13.8 | 0 | 0 | 113.7 | |||||
| 536 | L | 38.9 | Very low | 37.5 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | 68 | 138.2 | 177.6 | -50.7 | -179.2 | 0 | 0 | 0 | 116.8 | ||||
| 537 | S | 36.9 | Very low | 38.2 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | cis | -154 | 163.6 | -9.9 | -165.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 538 | Y | 33.2 | Very low | 38.8 | Very low | 235 Ų | 235 | 135.5 Ų | 135.5 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | -98.8 | 157.7 | 178.1 | -94.5 | -105.3 | 0 | 0 | 0 | 112.9 | ||||
| 539 | G | 38 | Very low | 39.3 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 164.6 | 128.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 540 | S | 38.3 | Very low | 39.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 74.1 | 86.3 | 148.8 | -161.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 541 | L | 39.7 | Very low | 39.9 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | 46.3 | 139.3 | 111.2 | -79.2 | 156.8 | 0 | 0 | 0 | 124.1 | |||||
| 542 | S | 38.4 | Very low | 39.9 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | 106 | 150.6 | 140.2 | -69.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 543 | P | 51.9 | Low | 40.1 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -140.3 | -164.4 | -145.2 | 44.1 | -24.1 | 0 | 0 | 0 | 117.2 | ||||
| 544 | M | 36.7 | Very low | 40.1 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | 113.2 | 152 | 147.7 | -155 | -179.5 | 176.1 | 0 | 0 | 118.6 | ||||
| 545 | M | 41.2 | Very low | 40.2 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | 75.5 | 147.8 | 171.6 | -60.3 | -162.7 | -177.1 | 0 | 0 | 116.3 | ||||
| 546 | S | 43.8 | Very low | 40.4 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 62% | 0.622 | 80% | 0.801 | S | S | * | * | cis | -171.1 | 161.9 | -10.6 | -93.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 547 | Q | 43.9 | Very low | 40.3 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | cis | -158.9 | 145.1 | -8.2 | -116.2 | -172 | 56.9 | 0 | 0 | 109 | ||||
| 548 | L | 42 | Very low | 40.4 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | 75 | 124.2 | 107.3 | -155.7 | 86.9 | 0 | 0 | 0 | 118.2 | |||||
| 549 | G | 42.2 | Very low | 40.6 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 173.4 | 57.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 550 | Q | 44.8 | Very low | 40.7 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | 57.9 | 119.2 | 151.5 | -67.6 | 170.7 | 9.4 | 0 | 0 | 119.6 | ||||
| 551 | Q | 39.7 | Very low | 40.6 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | 70 | 139.4 | 80 | -73.5 | 176.2 | -21 | 0 | 0 | 114.8 | |||||
| 552 | A | 37.8 | Very low | 40.4 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | cis | -165 | -173 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 553 | A | 41.5 | Very low | 40.4 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 69.7 | 128.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 554 | M | 36.6 | Very low | 39.5 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 98% | 0.975 | 79% | 0.793 | S | S | * | * | cis | 70.8 | 108.1 | 36.8 | -59.5 | -175.2 | 166.2 | 0 | 0 | 114.2 | ||||
| 555 | G | 41.5 | Very low | 39.4 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 172.6 | 119.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 556 | D | 40.4 | Very low | 39.2 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -73.5 | 160.6 | -177.7 | -57.2 | -88.3 | 0 | 0 | 0 | 113.2 | ||||
| 557 | G | 38.8 | Very low | 38.6 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 150.9 | 66.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S559 | G557-S559 PolarHBondContact O-N 3.19Š| ||
| 558 | I | 37.5 | Very low | 38.5 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -68.5 | 114.6 | 161.9 | -61.9 | 173.6 | 0 | 0 | 0 | 107.7 | ||||
| 559 | S | 38.2 | Very low | 38.4 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -125.1 | 140.4 | 168.5 | -163.6 | 0 | 0 | 0 | 0 | 110 | G557 | G557-S559 PolarHBondContact O-N 3.19Š| ||
| 560 | Y | 40 | Very low | 38.3 | Very low | 217 Ų | 217 | 142.8 Ų | 142.8 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 144.8 | -168.7 | -98.9 | -113.1 | 0 | 0 | 0 | 112.8 | H562 | Y560-H562 PolarHBondContact O-N 3.41Å; Y560-H562 VanDerWaalsContact O-N 3.13Å | ||
| 561 | Y | 36 | Very low | 38.2 | Very low | 227 Ų | 227 | 137.8 Ų | 137.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -63.6 | 110.7 | 167 | -92.8 | -101 | 0 | 0 | 0 | 110.4 | ||||
| 562 | H | 34.6 | Very low | 38.2 | Very low | 160 Ų | 160 | 135 Ų | 135 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -140.9 | 63.7 | 160.9 | -166.8 | -73.1 | 0 | 0 | 0 | 110.7 | Y560 | Y560-H562 PolarHBondContact O-N 3.41Å; Y560-H562 VanDerWaalsContact O-N 3.13Å | ||
| 563 | T | 38.9 | Very low | 38.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | trans | -117.7 | 107.1 | 175.8 | -44.3 | 0 | 0 | 0 | 0 | 110 | Y565 | T563-Y565 HydrophobicContact CG2-CD2 3.69Å; T563-Y565 HydrophobicContact CG2-CE2 3.71Å; T563-Y565 PolarHBondContact O-N 3.41Å | ||
| 564 | L | 33.4 | Very low | 38.5 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -67.2 | 110.5 | 165.3 | -65.3 | 166.5 | 0 | 0 | 0 | 108.1 | ||||
| 565 | Y | 35.3 | Very low | 38.8 | Very low | 205 Ų | 205 | 133.2 Ų | 133.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -100.8 | 100.9 | 161.3 | -100.1 | -96.5 | 0 | 0 | 0 | 107.3 | T563 | T563-Y565 HydrophobicContact CG2-CD2 3.69Å; T563-Y565 HydrophobicContact CG2-CE2 3.71Å; T563-Y565 PolarHBondContact O-N 3.41Å | ||
| 566 | S | 35.5 | Very low | 38.7 | Very low | 90 Ų | 90 | 141.4 Ų | 141.4 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | 75.5 | 103.8 | 80.9 | -74 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 567 | S | 33.1 | Very low | 38.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -42.5 | 138.3 | 167.4 | 176.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 568 | S | 41 | Very low | 38.6 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -142.5 | 82.4 | 163.2 | -70 | 0 | 0 | 0 | 0 | 109 | ||||
| 569 | N | 40.8 | Very low | 38.7 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -141.1 | 94.7 | 168.5 | -163.2 | 17.3 | 0 | 0 | 0 | 110.1 | G571 | N569-G571 PolarHBondContact O-N 3.46Š| ||
| 570 | P | 39.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 108.8 | -175.7 | 32.3 | -31.5 | 0 | 0 | 0 | 111.3 | ||||
| 571 | G | 41.4 | Very low | 38.6 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -175.1 | 134.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N569 | N569-G571 PolarHBondContact O-N 3.46Š| ||
| 572 | S | 40.5 | Very low | 38.8 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 61.5 | 78.8 | 165.2 | -164.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 573 | A | 40.1 | Very low | 39.1 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -89.9 | 112 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 574 | A | 44.3 | Very low | 39.1 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 82% | 0.824 | S | S | * | * | trans | -166 | 136.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 575 | N | 43 | Very low | 39.6 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 55.2 | 85.2 | 167.7 | -56.3 | -46.9 | 0 | 0 | 0 | 117.9 | ||||
| 576 | L | 40.6 | Very low | 40 | Very low | 248 Ų | 248 | 125.5 Ų | 125.5 | 100% | 1.298 | 83% | 0.829 | S | S | * | * | -167.4 | 0 | 102.7 | -100.2 | 162.2 | 0 | 0 | 0 | 111.3 |
Retrieved 576 of 576 residues in 95.1 ms
(Link to these results)