| 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 | 33.2 | Very low | 43 | Very low | 231 Ų | 231 | 134.5 Ų | 134.5 | 100% | 1.138 | 85% | 0.845 | S | S | * | * | 0 | 146.8 | 0 | -75.7 | -57.2 | -165.4 | 0 | 0 | 109 | |||||
| 2 | P | 40.2 | Very low | 43.1 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -68.3 | 159.5 | 162 | 33.2 | -35.1 | 0 | 0 | 0 | 110.2 | ||||
| 3 | G | 38 | Very low | 44.3 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | -177.5 | 105.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 4 | S | 38.7 | Very low | 44.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -37.7 | 148.3 | 170.7 | 47.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 5 | V | 51.8 | Low | 43.9 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | trans | -61.4 | 144.2 | 167.4 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | G | 42.1 | Very low | 44.2 | Very low | 62 Ų | 62 | 133.5 Ų | 133.5 | 64% | 0.639 | 84% | 0.843 | S | S | * | * | trans | -120.5 | 151 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | P | 47.1 | Very low | 44 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 86% | 0.864 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 163.3 | -153.5 | 34.3 | -37.9 | 0 | 0 | 0 | 116.9 | ||
| 8 | V | 49.7 | Very low | 44 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 138.7 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 9 | G | 41.2 | Very low | 44.1 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -90 | 143.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 10 | P | 50.3 | Low | 44.1 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 85% | 0.851 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 162 | -168.8 | 36.2 | -37.4 | 0 | 0 | 0 | 114.5 | ||
| 11 | R | 41.1 | Very low | 44 | Very low | 246 Ų | 246 | 137.6 Ų | 137.6 | 93% | 0.928 | 85% | 0.848 | S | S | * | * | trans | -145 | 106.4 | 158.1 | -171.2 | 169.7 | -179.9 | 160.6 | 1 | 114.5 | ||||
| 12 | G | 44.2 | Very low | 44.5 | Very low | 68 Ų | 68 | 130.7 Ų | 130.7 | 70% | 0.701 | 84% | 0.837 | S | S | * | * | 53.7 | 112.4 | 123 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 13 | P | 58.5 | Low | 44.7 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | trans | -95.5 | 150.9 | 174.7 | 37.3 | -34 | 0 | 0 | 0 | 114.5 | ||||
| 14 | Q | 41.9 | Very low | 45.2 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | trans | 178 | 160.1 | 154.2 | -103.1 | 167.2 | 7.7 | 0 | 0 | 107.8 | ||||
| 15 | G | 40.3 | Very low | 45.6 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | cis | -177.5 | 161.9 | -1.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | L | 48.3 | Very low | 45.3 | Very low | 182 Ų | 182 | 129.4 Ų | 129.4 | 95% | 0.953 | 83% | 0.832 | S | S | * | * | trans | -87.3 | 140.4 | -170 | -72.9 | 166.6 | 0 | 0 | 0 | 115.1 | ||||
| 17 | Q | 41.3 | Very low | 45.6 | Very low | 201 Ų | 201 | 129 Ų | 129 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -166.5 | 157.1 | 149.1 | -106 | 175 | 6.3 | 0 | 0 | 107.9 | ||||
| 18 | G | 44.7 | Very low | 45.9 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | cis | -180 | 150 | -4.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | Q | 46.2 | Very low | 46.1 | Very low | 209 Ų | 209 | 127.8 Ų | 127.8 | 98% | 0.977 | 82% | 0.823 | S | S | * | * | trans | -72.8 | 148.1 | -173.5 | -70.5 | -176.6 | -0.4 | 0 | 0 | 113.8 | ||||
| 20 | Q | 42.8 | Very low | 46.4 | Very low | 199 Ų | 199 | 128 Ų | 128 | 93% | 0.93 | 83% | 0.825 | S | S | * | * | trans | -138.6 | 147.4 | 148.2 | -162.1 | 173.1 | 15.9 | 0 | 0 | 107.7 | ||||
| 21 | G | 42.7 | Very low | 46.2 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -155.4 | 172.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 22 | G | 44.2 | Very low | 46.8 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | 90 | 87.1 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 23 | A | 44.5 | Very low | 47 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -121.7 | 140.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 24 | G | 48.1 | Very low | 46.4 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73 | 159.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T26 | G24-T26 PolarHBondContact O-N 3.48Š|
| 25 | P | 47.8 | Very low | 47.2 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118.2 | 177.5 | 28 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 26 | T | 44.9 | Very low | 48 | Very low | 140 Ų | 140 | 122 Ų | 122 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 141.3 | 162 | -54.3 | 0 | 0 | 0 | 0 | 107.8 | G24 | G24-T26 PolarHBondContact O-N 3.48Š|
| 27 | G | 48.8 | Very low | 48.2 | Very low | 54 Ų | 54 | 119.7 Ų | 119.7 | 56% | 0.557 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61 | 159.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 28 | P | 53.2 | Low | 48.7 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.6 | -179.6 | 25.8 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 29 | P | 53.4 | Low | 49.6 | Very low | 121 Ų | 121 | 116.6 Ų | 116.6 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 137.8 | 159.3 | -20.8 | 33.4 | 0 | 0 | 0 | 109 | ||
| 30 | G | 48.3 | Very low | 50 | Low | 71 Ų | 71 | 113 Ų | 113 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 31 | E | 46 | Very low | 51 | Low | 188 Ų | 188 | 110 Ų | 110 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 129.9 | -179.7 | -67.8 | 179.5 | 122.9 | 0 | 0 | 110.6 | G33 | E31-G33 PolarHBondContact O-N 3.21Š|
| 32 | P | 51.9 | Low | 51.5 | Low | 123 Ų | 123 | 109.8 Ų | 109.8 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 120.5 | 165.8 | -19.7 | 32.1 | 0 | 0 | 0 | 108.1 | D34 | P32-D34 PolarHBondContact O-N 3.17Š|
| 33 | G | 48.3 | Very low | 51.8 | Low | 72 Ų | 72 | 111.3 Ų | 111.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E31 | E31-G33 PolarHBondContact O-N 3.21Š|
| 34 | D | 46.6 | Very low | 52.7 | Low | 160 Ų | 160 | 117 Ų | 117 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 125.4 | -171.8 | -78.3 | -59.3 | 0 | 0 | 0 | 112.3 | P32 G36 | P32-D34 PolarHBondContact O-N 3.17Å; D34-G36 PolarHBondContact O-N 3.37Å |
| 35 | P | 58.7 | Low | 53.5 | Low | 118 Ų | 118 | 116.6 Ų | 116.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 123.7 | 166.9 | -23.4 | 34 | 0 | 0 | 0 | 109.5 | ||
| 36 | G | 57.7 | Low | 53.9 | Low | 64 Ų | 64 | 116.2 Ų | 116.2 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 140 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | D34 M38 | D34-G36 PolarHBondContact O-N 3.37Å; G36-M38 PolarHBondContact O-N 3.41Å |
| 37 | P | 53 | Low | 54.9 | Low | 133 Ų | 133 | 117.6 Ų | 117.6 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -56 | 115.3 | -163.1 | 20 | -33 | 0 | 0 | 0 | 111.7 | G39 | P37-G39 PolarHBondContact O-N 3.49Š| ||
| 38 | M | 51.3 | Low | 55.6 | Low | 152 Ų | 152 | 117.7 Ų | 117.7 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 129.8 | 174.5 | -176.2 | 173.7 | 64 | 0 | 0 | 109.1 | G36 I41 | G36-M38 PolarHBondContact O-N 3.41Å; M38-I41 HydrophobicContact CE-CD1 3.76Å; M38-I41 HydrophobicContact CE-CG1 4.16Å |
| 39 | G | 62.8 | Low | 55.6 | Low | 54 Ų | 54 | 117.4 Ų | 117.4 | 56% | 0.557 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 145.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P37 I41 | P37-G39 PolarHBondContact O-N 3.49Å; G39-I41 PolarHBondContact O-N 2.65Å; G39-I41 VanDerWaalsContact O-N 3.16Å |
| 40 | P | 55.3 | Low | 56.1 | Low | 134 Ų | 134 | 117.9 Ų | 117.9 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.7 | -171.8 | 22.8 | -33.5 | 0 | 0 | 0 | 111.1 | G42 | P40-G42 PolarHBondContact O-N 2.67Š|
| 41 | I | 62.9 | Low | 56.5 | Low | 136 Ų | 136 | 118 Ų | 118 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 125.5 | 170.6 | -66.9 | 175 | 0 | 0 | 0 | 107.6 | M38 G39 S43 | M38-I41 HydrophobicContact CE-CD1 3.76Å; M38-I41 HydrophobicContact CE-CG1 4.16Å; G39-I41 PolarHBondContact O-N 2.65Å; G39-I41 VanDerWaalsContact O-N 3.16Å; I41-S43 PolarHBondContact O-N 2.85Å |
| 42 | G | 54.5 | Low | 56.6 | Low | 68 Ų | 68 | 118.7 Ų | 118.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 130.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P40 R44 | P40-G42 PolarHBondContact O-N 2.67Å; G42-R44 PolarHBondContact O-N 3.14Å |
| 43 | S | 49.2 | Very low | 56.6 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119.7 | -177.9 | 51 | 0 | 0 | 0 | 0 | 111.2 | I41 G45 | I41-S43 PolarHBondContact O-N 2.85Å; S43-G45 PolarHBondContact O-N 3.25Å |
| 44 | R | 63.9 | Low | 56.6 | Low | 221 Ų | 221 | 119 Ų | 119 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 125 | 167.4 | 177.4 | 175.3 | 171.3 | 177.1 | -6.3 | 108.4 | G42 | G42-R44 PolarHBondContact O-N 3.14Š|
| 45 | G | 65.6 | Low | 56.4 | Low | 53 Ų | 53 | 120.9 Ų | 120.9 | 55% | 0.546 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 153.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S43 | S43-G45 PolarHBondContact O-N 3.25Š|
| 46 | P | 56.5 | Low | 55.7 | Low | 132 Ų | 132 | 123.5 Ų | 123.5 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 143.3 | -177.1 | 25.8 | -34.5 | 0 | 0 | 0 | 111.7 | ||
| 47 | E | 64.3 | Low | 55.6 | Low | 169 Ų | 169 | 124 Ų | 124 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 135.1 | 177.7 | -167.5 | 155.3 | -137.3 | 0 | 0 | 110.3 | ||
| 48 | G | 63.9 | Low | 55 | Low | 56 Ų | 56 | 126.5 Ų | 126.5 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 149 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 49 | P | 54 | Low | 55.4 | Low | 122 Ų | 122 | 123.9 Ų | 123.9 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.8 | -179.9 | 26.4 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 50 | P | 63.2 | Low | 54.2 | Low | 130 Ų | 130 | 124.8 Ų | 124.8 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140 | 179.9 | -27.3 | 35.4 | 0 | 0 | 0 | 113.7 | ||
| 51 | G | 57.5 | Low | 53.5 | Low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 52 | K | 47.4 | Very low | 52.3 | Low | 204 Ų | 204 | 129.5 Ų | 129.5 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 139.9 | 174.3 | -51.3 | 176.6 | -170.8 | 177 | 0 | 109.5 | ||
| 53 | P | 52.2 | Low | 51.5 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.5 | 167.5 | -22.2 | 33.7 | 0 | 0 | 0 | 110.9 | ||
| 54 | G | 48.1 | Very low | 51 | Low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 150.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 55 | E | 41.6 | Very low | 50.3 | Low | 198 Ų | 198 | 125.9 Ų | 125.9 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 152.8 | 174 | -65.5 | 177.6 | 114.9 | 0 | 0 | 111.2 | ||
| 56 | D | 45.3 | Very low | 49.2 | Very low | 174 Ų | 174 | 127 Ų | 127 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 152.8 | -176.2 | -64 | -63.7 | 0 | 0 | 0 | 113.5 | ||
| 57 | G | 55.4 | Low | 48.4 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -145.1 | 134.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 58 | E | 39.8 | Very low | 47.3 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -147.1 | 158.9 | -179.9 | -97 | -85.6 | 96 | 0 | 0 | 108.7 | ||||
| 59 | P | 59.2 | Low | 46.4 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | -134.4 | 176.2 | -120.1 | 37.6 | -19.2 | 0 | 0 | 0 | 117 | |||||
| 60 | G | 38.5 | Very low | 45.7 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -148.9 | 159 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | R | 40.8 | Very low | 44.6 | Very low | 229 Ų | 229 | 129.7 Ų | 129.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -145.1 | 163 | -169.5 | -70.9 | 178.5 | -176.8 | 138.7 | 4.3 | 110.1 | ||||
| 62 | N | 37.9 | Very low | 44.1 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | cis | -153 | 178.8 | 6.8 | -130.6 | 24.7 | 0 | 0 | 0 | 107.8 | ||||
| 63 | G | 37.6 | Very low | 43.9 | Very low | 55 Ų | 55 | 125.8 Ų | 125.8 | 57% | 0.567 | 79% | 0.793 | S | S | * | * | cis | 156.3 | 156.8 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 64 | N | 37.4 | Very low | 44.1 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | 54.8 | 157.5 | 157.9 | -59.2 | 0.5 | 0 | 0 | 0 | 121.7 | ||||
| 65 | P | 50.6 | Low | 44.2 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | cis | -129.8 | 156 | -37.7 | 37.7 | -22.4 | 0 | 0 | 0 | 113.4 | ||||
| 66 | G | 42.1 | Very low | 44.5 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | 136.8 | 157.4 | 98.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 67 | E | 39.9 | Very low | 44.9 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | cis | -139.1 | 156.5 | 7.4 | -107.7 | -158.8 | 113.2 | 0 | 0 | 113.7 | ||||
| 68 | V | 41.3 | Very low | 44.5 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 62% | 0.624 | 79% | 0.79 | S | S | * | * | trans | 33.2 | 120.2 | 151.6 | -172.3 | 0 | 0 | 0 | 0 | 121 | F70 | V68-F70 HydrophobicContact CG1-CD2 4.17Å; V68-F70 HydrophobicContact CG1-CE2 4.02Å | ||
| 69 | G | 44.7 | Very low | 44.7 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -121.8 | 149.4 | 149 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 70 | F | 39.1 | Very low | 44.6 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 154 | -178.5 | -85.8 | -91.2 | 0 | 0 | 0 | 113.3 | V68 | V68-F70 HydrophobicContact CG1-CD2 4.17Å; V68-F70 HydrophobicContact CG1-CE2 4.02Å |
| 71 | A | 41 | Very low | 45 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88 | 145.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 72 | G | 45.7 | Very low | 45.3 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76 | 153.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 73 | S | 44.2 | Very low | 46.3 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 152.4 | -169.2 | 43.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 74 | P | 56.7 | Low | 46.6 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 148.8 | 175.5 | -22 | 34.2 | 0 | 0 | 0 | 114.1 | ||
| 75 | G | 49.7 | Very low | 47.2 | Very low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 151 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 76 | A | 47.2 | Very low | 47.5 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 144.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 77 | R | 53.4 | Low | 47.6 | Very low | 240 Ų | 240 | 121.8 Ų | 121.8 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 137.6 | 177.4 | -169.3 | 176.9 | -174.3 | 172.1 | 1.5 | 110.4 | ||
| 78 | G | 48.5 | Very low | 47.9 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 145.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 79 | F | 42.7 | Very low | 48.2 | Very low | 209 Ų | 209 | 126.2 Ų | 126.2 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 132.9 | -178 | -76.9 | -89.1 | 0 | 0 | 0 | 112.8 | ||
| 80 | P | 57.9 | Low | 48.4 | Very low | 121 Ų | 121 | 126 Ų | 126 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 151.5 | 165 | -19.4 | 33.1 | 0 | 0 | 0 | 112.3 | ||
| 81 | G | 47.1 | Very low | 48.6 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 141.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 82 | A | 46.7 | Very low | 48.8 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 134.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 83 | P | 58.8 | Low | 48.9 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149 | 170.4 | -23.6 | 34.9 | 0 | 0 | 0 | 113.1 | ||
| 84 | G | 44.8 | Very low | 49 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 142.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 85 | L | 50.3 | Low | 48.7 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 88% | 0.88 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 144 | 177.4 | -70.5 | 168.7 | 0 | 0 | 0 | 112 | ||
| 86 | P | 56.8 | Low | 48.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 143.2 | 175.3 | -25.7 | 35.5 | 0 | 0 | 0 | 113.7 | L88 | P86-L88 PolarHBondContact O-N 2.72Š|
| 87 | G | 44.1 | Very low | 48.5 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 127.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 88 | L | 45.9 | Very low | 48.4 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 136.8 | 168.2 | -76.6 | 163.7 | 0 | 0 | 0 | 111 | P86 G90 | P86-L88 PolarHBondContact O-N 2.72Å; L88-G90 PolarHBondContact O-N 3.32Å; L88-G90 VanDerWaalsContact O-N 3.13Å |
| 89 | K | 47.1 | Very low | 48.5 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 90% | 0.9 | 83% | 0.83 | S | S | * | * | trans | -67.6 | 108.3 | -178.5 | -171.9 | 175.7 | -177.1 | 176.8 | 0 | 110.2 | ||||
| 90 | G | 48.9 | Very low | 48.8 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | -57.8 | 144.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L88 | L88-G90 PolarHBondContact O-N 3.32Å; L88-G90 VanDerWaalsContact O-N 3.13Å | ||
| 91 | H | 43.3 | Very low | 48.4 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 89% | 0.889 | 83% | 0.832 | S | S | * | * | trans | -65.8 | 154.2 | 172 | -74.2 | -106.9 | 0 | 0 | 0 | 111.4 | G93 | H91-G93 PolarHBondContact O-N 2.78Š| ||
| 92 | R | 45.3 | Very low | 48.3 | Very low | 248 Ų | 248 | 139.6 Ų | 139.6 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | trans | -68.2 | 95.8 | -176.3 | -170.4 | -176.6 | -164.3 | 172.6 | 5.2 | 111.1 | ||||
| 93 | G | 47.6 | Very low | 48.2 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 153.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H91 | H91-G93 PolarHBondContact O-N 2.78Š|
| 94 | H | 46 | Very low | 47.6 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 154.3 | 171.5 | -66.6 | -106.2 | 0 | 0 | 0 | 110.5 | G96 | H94-G96 PolarHBondContact O-N 3.05Š|
| 95 | K | 49.7 | Very low | 47.5 | Very low | 210 Ų | 210 | 144.9 Ų | 144.9 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59 | 122.5 | 174 | -83.3 | -169.1 | 172.8 | -172.9 | 0 | 109.8 | ||
| 96 | G | 47.6 | Very low | 47.3 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 159.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H94 | H94-G96 PolarHBondContact O-N 3.05Š|
| 97 | L | 45.1 | Very low | 47 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 95% | 0.953 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -70 | 150.3 | 169.3 | -67.4 | 169.3 | 0 | 0 | 0 | 110.3 | ||
| 98 | E | 52.1 | Low | 46.8 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126 | -177.6 | -167.9 | 167.3 | -176.8 | 0 | 0 | 110.7 | ||
| 99 | G | 51 | Low | 47.2 | Very low | 57 Ų | 57 | 139.7 Ų | 139.7 | 59% | 0.588 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K101 | G99-K101 PolarHBondContact O-N 3.21Š|
| 100 | P | 48.8 | Very low | 46.8 | Very low | 136 Ų | 136 | 140 Ų | 140 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 132 | 176.9 | 25.8 | -33.8 | 0 | 0 | 0 | 111 | ||
| 101 | K | 49.8 | Very low | 46.4 | Very low | 201 Ų | 201 | 140.5 Ų | 140.5 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.7 | -178.3 | -176 | 178.7 | 179.1 | -178.9 | 0 | 110.5 | G99 | G99-K101 PolarHBondContact O-N 3.21Š|
| 102 | G | 44.9 | Very low | 46.6 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 148.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 103 | E | 43.9 | Very low | 46.2 | Very low | 201 Ų | 201 | 134.3 Ų | 134.3 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69 | 150.8 | -178.3 | -61.3 | -173.9 | 130.7 | 0 | 0 | 112.5 | ||
| 104 | V | 47.7 | Very low | 45.9 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 85% | 0.848 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 132.2 | 179.1 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 105 | G | 42.7 | Very low | 46.5 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 106 | A | 45.1 | Very low | 45.8 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 140.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 107 | P | 51 | Low | 45.6 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 154.4 | 165.6 | -23 | 35 | 0 | 0 | 0 | 113.3 | ||
| 108 | G | 40.1 | Very low | 46.5 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 169.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 109 | S | 53.5 | Low | 45.9 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 159.3 | -171.5 | 52.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 110 | K | 38.4 | Very low | 45.3 | Very low | 213 Ų | 213 | 126.4 Ų | 126.4 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | trans | -154.6 | 111.9 | 169.1 | -173.2 | 179.6 | 179.4 | -178.6 | 0 | 114.4 | ||||
| 111 | G | 41.6 | Very low | 45.5 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | 81.5 | 123.8 | 144 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 112 | E | 47.5 | Very low | 45.3 | Very low | 202 Ų | 202 | 124.4 Ų | 124.4 | 94% | 0.944 | 83% | 0.83 | S | S | * | * | trans | -92 | 144.6 | 173.7 | -61 | 164.4 | 93.2 | 0 | 0 | 113.1 | ||||
| 113 | A | 35.4 | Very low | 45.2 | Very low | 109 Ų | 109 | 125 Ų | 125 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | 175.3 | 141.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 114 | G | 41.4 | Very low | 45.2 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | cis | -169.9 | 163.8 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 115 | P | 58.8 | Low | 45.1 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -93.2 | 118.1 | -160.2 | 33.3 | -34.9 | 0 | 0 | 0 | 116.5 | ||||
| 116 | T | 36.1 | Very low | 45.5 | Very low | 152 Ų | 152 | 122 Ų | 122 | 93% | 0.933 | 83% | 0.829 | S | S | * | * | trans | -165.2 | 141.5 | 159.1 | -29.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 117 | G | 43 | Very low | 45.8 | Very low | 62 Ų | 62 | 123.5 Ų | 123.5 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | cis | -166.9 | 169 | -8.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 118 | P | 64.6 | Low | 46.1 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -93.1 | 122.7 | -160.9 | 33.5 | -34.7 | 0 | 0 | 0 | 116.4 | ||||
| 119 | M | 38.7 | Very low | 46.7 | Very low | 195 Ų | 195 | 122.8 Ų | 122.8 | 96% | 0.961 | 82% | 0.823 | S | S | * | * | trans | -173.9 | 140.1 | 155.3 | -163.8 | 168.1 | 68.5 | 0 | 0 | 108.5 | ||||
| 120 | G | 39.2 | Very low | 46.8 | Very low | 58 Ų | 58 | 123.2 Ų | 123.2 | 60% | 0.598 | 82% | 0.822 | S | S | * | * | cis | -176.6 | 154.8 | -8.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P122 | G120-P122 WeakPolarHBondContact O-CD 3.49Š| ||
| 121 | D | 53.1 | Low | 47.7 | Very low | 172 Ų | 172 | 119.8 Ų | 119.8 | 92% | 0.92 | 82% | 0.819 | S | S | * | * | trans | -69.4 | 141.3 | -166.2 | -60.5 | -74.3 | 0 | 0 | 0 | 116.5 | ||||
| 122 | P | 44.2 | Very low | 48.1 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -134.6 | 109.3 | 156.6 | 31.4 | -12.2 | 0 | 0 | 0 | 114.5 | G120 | G120-P122 WeakPolarHBondContact O-CD 3.49Š| ||
| 123 | G | 42.1 | Very low | 48 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 77.3 | 108.5 | 140 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 124 | T | 45.3 | Very low | 48.6 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71 | 131.5 | 164.2 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 125 | V | 45.7 | Very low | 48.8 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 138.2 | 168.4 | 178 | 0 | 0 | 0 | 0 | 109.4 | ||
| 126 | G | 51.3 | Low | 48 | Very low | 55 Ų | 55 | 124.1 Ų | 124.1 | 57% | 0.567 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 163.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 127 | P | 50.8 | Low | 48.8 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.4 | -174.1 | 28.2 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 128 | P | 57.7 | Low | 48.8 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 149.2 | 169.7 | -22.3 | 34.1 | 0 | 0 | 0 | 113.1 | ||
| 129 | G | 52.6 | Low | 47.5 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 162.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 130 | P | 55.8 | Low | 47.6 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 145.8 | -177.1 | 28.1 | -35.1 | 0 | 0 | 0 | 113 | ||
| 131 | V | 56.6 | Low | 47.6 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 132.8 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 132 | G | 50.1 | Low | 46.8 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 150.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 133 | E | 46.1 | Very low | 47 | Very low | 205 Ų | 205 | 129.8 Ų | 129.8 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 150.5 | -179.2 | -62.5 | -174.3 | 109.9 | 0 | 0 | 113.1 | ||
| 134 | R | 46.8 | Very low | 47.2 | Very low | 244 Ų | 244 | 129.9 Ų | 129.9 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 124.8 | -178.8 | -177.7 | 178 | -67.5 | -177 | -0.5 | 110.8 | ||
| 135 | G | 46.6 | Very low | 46.7 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 165.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 136 | A | 42.6 | Very low | 46.7 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 153.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 137 | P | 51.4 | Low | 46.1 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 134.9 | -178.5 | -18.2 | 32.5 | 0 | 0 | 0 | 113.6 | ||
| 138 | G | 42.7 | Very low | 45.3 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 164 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 139 | N | 38.8 | Very low | 44.9 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 153.1 | -178.9 | -77.1 | -43.9 | 0 | 0 | 0 | 113.7 | ||
| 140 | R | 40.9 | Very low | 44.9 | Very low | 244 Ų | 244 | 133 Ų | 133 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -80 | 117.4 | -168.5 | -170.2 | 179.8 | -168.2 | 165.6 | 4.1 | 113.1 | ||
| 141 | G | 38.5 | Very low | 44.4 | Very low | 68 Ų | 68 | 132.7 Ų | 132.7 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 164.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 142 | F | 37 | Very low | 43.5 | Very low | 204 Ų | 204 | 136.3 Ų | 136.3 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83 | 163.5 | 177.7 | -86 | -96.9 | 0 | 0 | 0 | 113 | ||
| 143 | P | 47.1 | Very low | 43.2 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 150.2 | -176.2 | -20.4 | 33.9 | 0 | 0 | 0 | 114.3 | ||
| 144 | G | 46.6 | Very low | 42.7 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -95.7 | -166.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 145 | S | 35.7 | Very low | 42.2 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -142 | 152.5 | 172.1 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 146 | D | 45 | Very low | 42.1 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 90% | 0.904 | 84% | 0.835 | S | S | * | * | trans | -84.4 | 164.1 | -162.3 | -59.2 | -75 | 0 | 0 | 0 | 116.1 | ||||
| 147 | G | 37.9 | Very low | 41.7 | Very low | 73 Ų | 73 | 133.3 Ų | 133.3 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | -153.8 | -9.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 148 | L | 35.7 | Very low | 41.1 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 88% | 0.88 | 83% | 0.834 | S | S | * | * | trans | 55.7 | -164.5 | 169.7 | -53.9 | 174.9 | 0 | 0 | 0 | 116.3 | ||||
| 149 | P | 48.5 | Very low | 41.3 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | -124.4 | 166.4 | -113.3 | 33.6 | -12 | 0 | 0 | 0 | 116.7 | |||||
| 150 | G | 51.8 | Low | 41.5 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | -118.4 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 151 | P | 45.4 | Very low | 41.4 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -126.1 | 102 | -174.8 | 35.5 | -17.1 | 0 | 0 | 0 | 116.7 | ||||
| 152 | K | 39.2 | Very low | 41.7 | Very low | 217 Ų | 217 | 131 Ų | 131 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | 11.5 | 133.4 | 136.5 | -172.3 | -177 | -175.4 | -178.8 | 0 | 122.1 | ||||
| 153 | G | 42.8 | Very low | 41.7 | Very low | 74 Ų | 74 | 127.4 Ų | 127.4 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | trans | 142.7 | 144 | 149.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 154 | A | 36.1 | Very low | 41.2 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 93% | 0.934 | 83% | 0.832 | S | S | * | * | cis | -155.3 | 178.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 155 | Q | 36.3 | Very low | 41.3 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 91% | 0.907 | 83% | 0.83 | S | S | * | * | trans | -80.5 | 150.7 | -160.9 | 163.4 | -171.2 | -14.4 | 0 | 0 | 118.7 | ||||
| 156 | G | 44.7 | Very low | 41.6 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | trans | 136.4 | 162.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 157 | E | 34.2 | Very low | 41.3 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | cis | -161.5 | -165.3 | -23.6 | -122.4 | -47 | -65.3 | 0 | 0 | 111.4 | ||||
| 158 | R | 38 | Very low | 41.8 | Very low | 222 Ų | 222 | 128.6 Ų | 128.6 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -121.7 | 132.3 | -154.3 | -179.6 | -165.4 | -67.4 | -162.6 | -5.3 | 119.4 | ||||
| 159 | G | 46.1 | Very low | 41.7 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 77.5 | 179.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 160 | P | 45.1 | Very low | 41.2 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | cis | -121.1 | -141.4 | 1.8 | 42.6 | -27.1 | 0 | 0 | 0 | 114.3 | ||||
| 161 | V | 38.7 | Very low | 40.7 | Very low | 146 Ų | 146 | 125 Ų | 125 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | -128.1 | 140.7 | -152.6 | 168.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 162 | G | 44.6 | Very low | 40.4 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | 110.9 | 133.6 | 125.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 163 | S | 35.5 | Very low | 40.4 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | -174.5 | 157 | 129.6 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 164 | S | 37.1 | Very low | 40.8 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -93.4 | 151.6 | -175.7 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 165 | G | 49 | Very low | 40.9 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | -102.8 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 166 | P | 41.8 | Very low | 41.1 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | -115.2 | 176.6 | 166 | 38.7 | -28.4 | 0 | 0 | 0 | 113.4 | ||||
| 167 | K | 39.6 | Very low | 41.4 | Very low | 203 Ų | 203 | 124.1 Ų | 124.1 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -109.3 | 130.1 | -168.6 | 171.1 | -171.5 | 173.7 | -175.5 | 0 | 113.4 | ||||
| 168 | G | 47.5 | Very low | 41.6 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 57% | 0.567 | 78% | 0.778 | S | S | * | * | trans | 100.4 | 139 | 133.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 169 | S | 34.7 | Very low | 41.7 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 52% | 0.517 | 77% | 0.774 | S | S | . | * | trans | -157.8 | 154.9 | 155.5 | 53.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 170 | Q | 37.3 | Very low | 41.9 | Very low | 171 Ų | 171 | 119.6 Ų | 119.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -119.7 | 148.5 | -169.1 | 169.5 | -173.4 | -10.7 | 0 | 0 | 111.5 | ||||
| 171 | G | 40.4 | Very low | 41.3 | Very low | 48 Ų | 48 | 121.5 Ų | 121.5 | 50% | 0.495 | 78% | 0.776 | S | S | . | * | trans | 111.8 | 101.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 172 | D | 40 | Very low | 41.5 | Very low | 154 Ų | 154 | 120.5 Ų | 120.5 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | 64.1 | 168.8 | 129.9 | -58 | -58.6 | 0 | 0 | 0 | 119.7 | |||||
| 173 | P | 39.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | cis | -120.9 | 163.9 | -3.9 | 39.7 | -26.2 | 0 | 0 | 0 | 115 | ||||
| 174 | G | 50.9 | Low | 41.6 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -78 | 157.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 175 | R | 39 | Very low | 41.8 | Very low | 246 Ų | 246 | 125.1 Ų | 125.1 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | trans | -148.5 | 166.3 | 169.8 | -108.6 | -157.9 | 168.9 | -143.4 | -3.7 | 111.1 | ||||
| 176 | P | 40.1 | Very low | 41.5 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | -102.8 | 164.9 | -118.5 | 39 | -37.7 | 0 | 0 | 0 | 114.2 | |||||
| 177 | G | 51.5 | Low | 41 | Very low | 76 Ų | 76 | 126.6 Ų | 126.6 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -80.9 | 153.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 178 | E | 37.9 | Very low | 40.9 | Very low | 183 Ų | 183 | 121.9 Ų | 121.9 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | trans | -130.9 | 158.4 | 171.9 | -94.1 | -153.8 | 111.2 | 0 | 0 | 110.7 | ||||
| 179 | P | 39.5 | Very low | 40.4 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -97.5 | 159.8 | -131.6 | -9.8 | 29.3 | 0 | 0 | 0 | 115.8 | ||||
| 180 | G | 50.5 | Low | 40.4 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -80.7 | 176 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 181 | L | 32.5 | Very low | 40.7 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -108.6 | 146.1 | 169.8 | -77 | 173.2 | 0 | 0 | 0 | 111.8 | ||||
| 182 | P | 43.9 | Very low | 40.6 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -87.5 | 176.3 | -178.3 | 0.4 | 21.8 | 0 | 0 | 0 | 111.5 | ||||
| 183 | G | 48.7 | Very low | 40.6 | Very low | 76 Ų | 76 | 125.1 Ų | 125.1 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | cis | 137 | 137.2 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 184 | A | 32.4 | Very low | 40.4 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -124.6 | 102 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 185 | R | 40.8 | Very low | 40.2 | Very low | 233 Ų | 233 | 128 Ų | 128 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -105.7 | 144.2 | 177.3 | -178.7 | -176.8 | -175 | 174.4 | 2.2 | 107.3 | ||||
| 186 | G | 42.8 | Very low | 40.5 | Very low | 61 Ų | 61 | 122.3 Ų | 122.3 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | cis | 153.5 | -179.2 | 2.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 187 | L | 32.3 | Very low | 40.6 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | -127.2 | 137.5 | 159.4 | -85.6 | 177.2 | 0 | 0 | 0 | 110 | ||||
| 188 | T | 36.8 | Very low | 40.3 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 64% | 0.638 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 123.1 | -166.7 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 189 | G | 37.3 | Very low | 40.4 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 140.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 190 | N | 34.3 | Very low | 40.6 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 143.2 | 176.7 | -76.3 | -20.3 | 0 | 0 | 0 | 110.7 | ||
| 191 | P | 43.2 | Very low | 40.2 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 148.4 | -161.6 | -17.3 | 33.2 | 0 | 0 | 0 | 114.2 | ||
| 192 | G | 39.6 | Very low | 41 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 146.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 193 | V | 38.4 | Very low | 40.8 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 123.6 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 109 | ||
| 194 | Q | 36.6 | Very low | 40.2 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -111.8 | 126.7 | 179.8 | -179.7 | 174.6 | -3.5 | 0 | 0 | 112.7 | ||||
| 195 | G | 45.9 | Very low | 40.6 | Very low | 63 Ų | 63 | 127.7 Ų | 127.7 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 75.4 | 116.4 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 196 | P | 45 | Very low | 41.4 | Very low | 128 Ų | 128 | 122.3 Ų | 122.3 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77 | 148.8 | 168.8 | 32.7 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 197 | E | 41.6 | Very low | 41.3 | Very low | 193 Ų | 193 | 123.3 Ų | 123.3 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 150.9 | 175.7 | -165.3 | 175.1 | -176.8 | 0 | 0 | 112.8 | ||
| 198 | G | 45.5 | Very low | 41.5 | Very low | 70 Ų | 70 | 123.2 Ų | 123.2 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 168.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 199 | K | 40.9 | Very low | 41.8 | Very low | 197 Ų | 197 | 124.2 Ų | 124.2 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -103.5 | 111.9 | -170.6 | -67.6 | -179.5 | -179.7 | 174.6 | 0 | 115.2 | ||||
| 200 | L | 44.4 | Very low | 41.8 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | 47.8 | 134.7 | 123.2 | -165.2 | 75.5 | 0 | 0 | 0 | 122.3 | |||||
| 201 | G | 41.8 | Very low | 42.7 | Very low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | 174 | 162.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 202 | P | 48 | Very low | 42.8 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | cis | -124.3 | -156.8 | -6.8 | 41.8 | -25.1 | 0 | 0 | 0 | 113.9 | ||||
| 203 | L | 40.3 | Very low | 42.8 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -85.6 | 153 | -160.5 | -179.7 | 66.6 | 0 | 0 | 0 | 116.9 | A205 | L203-A205 HydrophobicContact CD1-CB 4Å; L203-A205 HydrophobicContact CG-CB 4.38Å | ||
| 204 | G | 35.7 | Very low | 42.9 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -141.3 | 132.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | A | 41.7 | Very low | 43.2 | Very low | 77 Ų | 77 | 123 Ų | 123 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -167.7 | 170 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L203 | L203-A205 HydrophobicContact CD1-CB 4Å; L203-A205 HydrophobicContact CG-CB 4.38Å | ||
| 206 | P | 56.4 | Low | 42.7 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -117.8 | -173.6 | -17.4 | 39.4 | -25.8 | 0 | 0 | 0 | 111.8 | ||||
| 207 | G | 41.4 | Very low | 42.3 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -149.3 | 90.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 208 | E | 37.5 | Very low | 42 | Very low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -105.5 | 135 | -167.8 | -130.2 | -179.3 | 165.9 | 0 | 0 | 114.3 | ||||
| 209 | D | 41.5 | Very low | 41.9 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | trans | 70.3 | 146.8 | 152 | -128.9 | -1.3 | 0 | 0 | 0 | 122.5 | R211 | D209-R211 WeakPolarHBondContact OD1-CG 3.44Å; D209-R211 IonicContact OD1-NE 2.88Å | ||
| 210 | G | 38.4 | Very low | 41.7 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -166.1 | 23.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 211 | R | 53.1 | Low | 41.4 | Very low | 210 Ų | 210 | 123.1 Ų | 123.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -75.3 | 172.3 | 163.9 | -60 | 171.1 | -172.1 | -126 | 2.5 | 109.7 | D209 | D209-R211 WeakPolarHBondContact OD1-CG 3.44Å; D209-R211 IonicContact OD1-NE 2.88Å | ||
| 212 | P | 45.7 | Very low | 41.5 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | cis | -122 | 160.5 | -7 | 38.9 | -24.1 | 0 | 0 | 0 | 113.1 | ||||
| 213 | G | 37.9 | Very low | 41.3 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | 89.4 | -170.1 | 90.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 214 | P | 41.8 | Very low | 41.9 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | cis | -125.7 | -128.6 | -18.8 | 38 | -16.2 | 0 | 0 | 0 | 111 | ||||
| 215 | P | 42.9 | Very low | 43 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -126.9 | 162.1 | -135.5 | 36.7 | -14.7 | 0 | 0 | 0 | 118.5 | ||||
| 216 | G | 34.1 | Very low | 43.1 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 161.8 | 139.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 217 | S | 38.6 | Very low | 42.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | cis | -141.7 | 136 | 1.2 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 218 | I | 34.9 | Very low | 42.8 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | 6.3 | 121.4 | 143.2 | -56.6 | 161.5 | 0 | 0 | 0 | 116.5 | ||||
| 219 | G | 43.9 | Very low | 43.3 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | -177.5 | 106.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 220 | I | 35.3 | Very low | 43.8 | Very low | 157 Ų | 157 | 129 Ų | 129 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -105.8 | 107.3 | -166.9 | -55.2 | 172.6 | 0 | 0 | 0 | 112.2 | ||||
| 221 | R | 37.5 | Very low | 44.1 | Very low | 244 Ų | 244 | 128.6 Ų | 128.6 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | 61.5 | 115.6 | 145.5 | -166.6 | -175.8 | -159.6 | 162.9 | 6.1 | 119.4 | ||||
| 222 | G | 45.4 | Very low | 43.6 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 174.5 | 14.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 223 | Q | 43.8 | Very low | 43.9 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | 63.2 | -164.3 | 174 | -55.7 | -172.5 | -18.3 | 0 | 0 | 116.1 | ||||
| 224 | P | 52.7 | Low | 44.6 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | -107.4 | -179.2 | -112 | 33.6 | -14.9 | 0 | 0 | 0 | 115.4 | |||||
| 225 | G | 58.5 | Low | 44.6 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | cis | 165.5 | -147.5 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 226 | S | 44.3 | Very low | 45 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | trans | 90.5 | -163.7 | 168.8 | 85.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 227 | M | 37.8 | Very low | 45.5 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -82.8 | 160 | -155.7 | -163.6 | -168.4 | -64.9 | 0 | 0 | 114.8 | ||||
| 228 | G | 52.9 | Low | 45.6 | Very low | 65 Ų | 65 | 131.6 Ų | 131.6 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | trans | -114.3 | 161.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 229 | L | 48 | Very low | 46.4 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | S | Bend | cis | -108.3 | 176.1 | 24.6 | -85.2 | 172.8 | 0 | 0 | 0 | 114.2 | ||
| 230 | P | 51.9 | Low | 46.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 83% | 0.832 | S | S | * | * | trans | -78.1 | 141.1 | -149.9 | -17.4 | 31.2 | 0 | 0 | 0 | 117.1 | ||||
| 231 | G | 44.4 | Very low | 46.3 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 84% | 0.837 | S | S | * | * | trans | 52 | 114.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 232 | P | 43.3 | Very low | 46.8 | Very low | 128 Ų | 128 | 127 Ų | 127 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | -141.4 | 133.6 | 94.7 | 34.6 | -20.9 | 0 | 0 | 0 | 116.2 | G234 | P232-G234 PolarHBondContact O-N 3.32Š| |||
| 233 | K | 50.9 | Low | 46.9 | Very low | 216 Ų | 216 | 127.1 Ų | 127.1 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | 16.9 | 99.3 | 143.8 | -164.8 | 177.5 | -174 | -179.6 | 0 | 117 | ||||
| 234 | G | 53.6 | Low | 46.5 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -87 | -163.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | P232 | P232-G234 PolarHBondContact O-N 3.32Š| ||
| 235 | S | 42.5 | Very low | 45.8 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 87% | 0.867 | 84% | 0.837 | S | S | * | * | trans | -153 | 159.5 | -179.9 | 53 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 236 | S | 50 | Low | 45.1 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -77.9 | 160.8 | -171 | -41.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 237 | G | 45.6 | Very low | 44.6 | Very low | 74 Ų | 74 | 128.4 Ų | 128.4 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | trans | 156.7 | 125.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 238 | D | 40.1 | Very low | 44.5 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | -76.6 | -171.4 | 159.8 | -47.9 | -102.4 | 0 | 0 | 0 | 111.4 | ||||
| 239 | P | 52 | Low | 44.2 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | cis | -123.3 | -178.5 | -43.1 | 26.3 | -6.2 | 0 | 0 | 0 | 112 | ||||
| 240 | G | 40.8 | Very low | 43.8 | Very low | 79 Ų | 79 | 123.7 Ų | 123.7 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -159.9 | 158.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 241 | K | 35.2 | Very low | 43.8 | Very low | 212 Ų | 212 | 123.9 Ų | 123.9 | 92% | 0.922 | 84% | 0.838 | S | S | * | * | trans | -128 | 169.5 | -179.3 | -100.1 | -170.7 | 177.9 | -177.4 | 0 | 111.7 | ||||
| 242 | P | 48.5 | Very low | 43.9 | Very low | 124 Ų | 124 | 124 Ų | 124 | 81% | 0.805 | 84% | 0.839 | S | S | * | * | trans | -101.7 | 155.7 | -148.6 | 37.7 | -37.6 | 0 | 0 | 0 | 117.4 | ||||
| 243 | G | 47.7 | Very low | 43.4 | Very low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 85% | 0.845 | S | S | * | * | trans | 96.5 | 127.3 | 135 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 244 | E | 35.8 | Very low | 42.9 | Very low | 207 Ų | 207 | 129.1 Ų | 129.1 | 97% | 0.967 | 85% | 0.845 | S | S | * | * | trans | -164.3 | 176.7 | 145 | -118 | -177.9 | 147.3 | 0 | 0 | 110.8 | ||||
| 245 | A | 37.1 | Very low | 42.7 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | trans | -146 | 155.5 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 246 | G | 45.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 84% | 0.84 | S | S | * | * | trans | 98.3 | 133.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 247 | N | 32.8 | Very low | 43.2 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 94% | 0.936 | 84% | 0.838 | S | S | * | * | 179.1 | 177.2 | 117.4 | -94.3 | -65.9 | 0 | 0 | 0 | 112.1 | |||||
| 248 | A | 36.1 | Very low | 43.2 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -143.6 | 174.3 | -151.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 249 | G | 46.9 | Very low | 43.1 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | trans | 104.3 | 162.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 250 | V | 38.9 | Very low | 42.3 | Very low | 149 Ų | 149 | 131.3 Ų | 131.3 | 90% | 0.903 | 84% | 0.837 | S | S | * | * | cis | -155.9 | -175.5 | -0.5 | -112.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 251 | P | 51.3 | Low | 42.8 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -132 | 170.8 | -141.1 | 45.8 | -31.3 | 0 | 0 | 0 | 121.1 | ||||
| 252 | G | 46.6 | Very low | 42.7 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | 105.9 | 139.3 | 124 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 253 | Q | 34.3 | Very low | 42.4 | Very low | 206 Ų | 206 | 128 Ų | 128 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | trans | -173.6 | -177.5 | 135.6 | -103.8 | -173.3 | 67 | 0 | 0 | 115 | ||||
| 254 | R | 38.9 | Very low | 41.9 | Very low | 247 Ų | 247 | 127.2 Ų | 127.2 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -147.4 | 165 | -157.5 | 178.3 | 179.5 | -71.8 | -178.4 | -2.3 | 111.2 | ||||
| 255 | G | 49.6 | Very low | 42.3 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | cis | -139.3 | -130.2 | 11.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 256 | A | 41.5 | Very low | 42.7 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | cis | -159.3 | 173.2 | 8.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 257 | P | 61.9 | Low | 42.5 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -140.9 | 179.2 | -149.1 | 45.6 | -30.1 | 0 | 0 | 0 | 121.2 | ||||
| 258 | G | 46.5 | Very low | 43.2 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 144.4 | 150.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 259 | K | 36.6 | Very low | 44 | Very low | 202 Ų | 202 | 125.8 Ų | 125.8 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | cis | -158.2 | 173.4 | 1.8 | -53.6 | -178.2 | -172.7 | 175.7 | 0 | 112.4 | ||||
| 260 | D | 36.9 | Very low | 43.5 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -102.7 | -177.5 | -168 | -33.4 | -101.1 | 0 | 0 | 0 | 114.4 | ||||
| 261 | G | 50.3 | Low | 43.5 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | 171.2 | -154.8 | 4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 262 | E | 34 | Very low | 43.8 | Very low | 181 Ų | 181 | 125 Ų | 125 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 90.8 | 162.9 | 162.8 | -56.1 | -113.7 | 78.5 | 0 | 0 | 121.9 | ||||
| 263 | V | 41 | Very low | 43.3 | Very low | 97 Ų | 97 | 125 Ų | 125 | 59% | 0.588 | 81% | 0.809 | S | S | * | * | trans | -153.4 | 158.8 | -153.5 | 158 | 0 | 0 | 0 | 0 | 115.7 | K356 | V263-K356 HydrophobicContact CB-CD 4.33Å; V263-K356 HydrophobicContact CG2-CD 3.75Å; V263-K356 HydrophobicContact CG2-CG 4.15Å | ||
| 264 | G | 38.3 | Very low | 43.6 | Very low | 59 Ų | 59 | 123.8 Ų | 123.8 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | trans | -135.3 | 165.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 265 | P | 43 | Very low | 44.3 | Very low | 136 Ų | 136 | 117.1 Ų | 117.1 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -114.4 | -179 | -163.1 | 42.6 | -34.1 | 0 | 0 | 0 | 117.4 | ||||
| 266 | S | 45.2 | Very low | 44.1 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -107.2 | 160.1 | -165.4 | -40.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 267 | G | 41.7 | Very low | 44.1 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | 151.5 | 169 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 268 | P | 48 | Very low | 43.4 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | cis | -116.8 | -163.1 | -10.4 | 40.3 | -25.5 | 0 | 0 | 0 | 112.9 | ||||
| 269 | V | 53 | Low | 43.5 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -130 | 147.2 | -164.4 | 172.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 270 | G | 35.8 | Very low | 43.8 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | 171.8 | 163.5 | 154 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 271 | P | 40.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | cis | -107.5 | 169.8 | -13.9 | 39.3 | -29.6 | 0 | 0 | 0 | 112.7 | G273 | P271-G273 PolarHBondContact O-N 3.19Š| ||
| 272 | P | 56.2 | Low | 43.8 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 121.2 | -178.1 | -17.1 | 32.3 | 0 | 0 | 0 | 114.1 | ||
| 273 | G | 37.3 | Very low | 44.6 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 150.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P271 | P271-G273 PolarHBondContact O-N 3.19Š|
| 274 | L | 40.3 | Very low | 45.2 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 150 | -169.1 | -68.7 | 169.8 | 0 | 0 | 0 | 114 | ||
| 275 | A | 52.8 | Low | 45.6 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 139.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 276 | G | 46 | Very low | 45.9 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -117.4 | 153 | 165 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 277 | E | 40.9 | Very low | 45.6 | Very low | 201 Ų | 201 | 126.2 Ų | 126.2 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -84.4 | 158 | -156.8 | -64.8 | -173.8 | 103 | 0 | 0 | 116.4 | ||||
| 278 | R | 48.4 | Very low | 45.6 | Very low | 245 Ų | 245 | 126 Ų | 126 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -67.2 | 128.1 | 165.4 | 170 | -164.6 | -67.1 | 166.5 | -2.7 | 109.6 | ||||
| 279 | G | 47.6 | Very low | 45 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -159.8 | 139.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 280 | E | 43.6 | Very low | 44.4 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | cis | -149.6 | 168.5 | -23.6 | -146 | 179.8 | 172.6 | 0 | 0 | 109.1 | ||||
| 281 | Q | 37.7 | Very low | 44.7 | Very low | 186 Ų | 186 | 131 Ų | 131 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 136.9 | 177.4 | -172.8 | 171.5 | -3.5 | 0 | 0 | 110.1 | ||
| 282 | G | 48.4 | Very low | 44.5 | Very low | 58 Ų | 58 | 133.1 Ų | 133.1 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -57 | 137.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 283 | P | 51.9 | Low | 44 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 136.7 | -172.3 | 25.7 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 284 | P | 52.8 | Low | 44.4 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 153.1 | 168.1 | -23.8 | 34.5 | 0 | 0 | 0 | 112.4 | ||
| 285 | G | 45.7 | Very low | 44.8 | Very low | 56 Ų | 56 | 129.3 Ų | 129.3 | 58% | 0.577 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 150.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T287 | G285-T287 PolarHBondContact O-N 3.45Š|
| 286 | P | 49.5 | Very low | 44.8 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -73.5 | 86.8 | -178.9 | 30.2 | -35.3 | 0 | 0 | 0 | 111.6 | G288 | P286-G288 PolarHBondContact O-N 3.18Š| ||
| 287 | T | 40.6 | Very low | 45 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | trans | -71.3 | 99.2 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 111 | G285 | G285-T287 PolarHBondContact O-N 3.45Š| ||
| 288 | G | 40.6 | Very low | 45.6 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 57.1 | 103.6 | 154 | 0 | 0 | 0 | 0 | 0 | 117.7 | P286 Q290 | P286-G288 PolarHBondContact O-N 3.18Å; G288-Q290 VanDerWaalsContact C-N 3.3Å; G288-Q290 PolarHBondContact O-N 2.79Å | ||
| 289 | F | 35.1 | Very low | 45.8 | Very low | 212 Ų | 212 | 121.1 Ų | 121.1 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 94.6 | 152.8 | -98.4 | -85.3 | 0 | 0 | 0 | 109.3 | G291 | F289-G291 PolarHBondContact O-N 3.41Š| ||
| 290 | Q | 40.6 | Very low | 45.9 | Very low | 187 Ų | 187 | 121.3 Ų | 121.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 129.3 | 162.4 | -165 | 170.4 | 18.9 | 0 | 0 | 107.6 | G288 | G288-Q290 VanDerWaalsContact C-N 3.3Å; G288-Q290 PolarHBondContact O-N 2.79Å |
| 291 | G | 41.8 | Very low | 45.8 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 140.1 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114 | F289 P293 | F289-G291 PolarHBondContact O-N 3.41Å; G291-P293 VanDerWaalsContact O-CD 3.29Å; G291-P293 WeakPolarHBondContact O-CD 3.37Å |
| 292 | L | 36.2 | Very low | 46.3 | Very low | 166 Ų | 166 | 117.1 Ų | 117.1 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 120.8 | 168.3 | -80.1 | 166 | 0 | 0 | 0 | 109.2 | ||
| 293 | P | 46.1 | Very low | 46 | Very low | 121 Ų | 121 | 118 Ų | 118 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 151.7 | 172.5 | -23.2 | 35.2 | 0 | 0 | 0 | 111 | G291 | G291-P293 VanDerWaalsContact O-CD 3.29Å; G291-P293 WeakPolarHBondContact O-CD 3.37Å |
| 294 | G | 46.2 | Very low | 45.3 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 157.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 295 | P | 47.8 | Very low | 45.3 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.3 | -178.9 | 24.6 | -34.3 | 0 | 0 | 0 | 111.2 | G297 | P295-G297 PolarHBondContact O-N 3.12Š|
| 296 | P | 53.7 | Low | 45.6 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 129.7 | 179.8 | -26.6 | 35 | 0 | 0 | 0 | 112.6 | ||
| 297 | G | 50.3 | Low | 45.1 | Very low | 61 Ų | 61 | 124.4 Ų | 124.4 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66 | 156.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | P295 | P295-G297 PolarHBondContact O-N 3.12Š|
| 298 | P | 53.5 | Low | 45.4 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 157.6 | -179.5 | 27.7 | -35 | 0 | 0 | 0 | 112.5 | G300 | P298-G300 PolarHBondContact O-N 2.89Š|
| 299 | P | 52.9 | Low | 45.8 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77 | 116.3 | -163.8 | -17.3 | 33 | 0 | 0 | 0 | 115 | ||
| 300 | G | 48.8 | Very low | 45.9 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 63.6 | 101.9 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | P298 | P298-G300 PolarHBondContact O-N 2.89Š| ||
| 301 | E | 40.8 | Very low | 46.8 | Very low | 205 Ų | 205 | 120.7 Ų | 120.7 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -105.5 | 159.1 | 141.3 | -70.9 | -167.6 | 104.9 | 0 | 0 | 109.6 | ||||
| 302 | G | 48.7 | Very low | 47.3 | Very low | 82 Ų | 82 | 121.2 Ų | 121.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -142.5 | 156.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 303 | G | 42.5 | Very low | 47.4 | Very low | 75 Ų | 75 | 121.3 Ų | 121.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 104.5 | 154 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 304 | K | 37.8 | Very low | 48.3 | Very low | 209 Ų | 209 | 121.4 Ų | 121.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | cis | -146.1 | 172.1 | 4.5 | -102.4 | 175.8 | -177.7 | 175.9 | 0 | 110.3 | ||||
| 305 | P | 52.9 | Low | 48 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -99.6 | 163.9 | -160.7 | 38.5 | -37 | 0 | 0 | 0 | 116 | ||||
| 306 | G | 50.4 | Low | 47.5 | Very low | 65 Ų | 65 | 121.1 Ų | 121.1 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | trans | 89.9 | 129.9 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 307 | D | 39.2 | Very low | 47.2 | Very low | 180 Ų | 180 | 122.1 Ų | 122.1 | 96% | 0.963 | 83% | 0.826 | S | S | * | * | 179.4 | -179.1 | 95.9 | -93.7 | -8.4 | 0 | 0 | 0 | 113.1 | |||||
| 308 | Q | 46.5 | Very low | 47.2 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -131.9 | 141.7 | -162.1 | 172.4 | -174.2 | -21.8 | 0 | 0 | 112.5 | ||||
| 309 | G | 49.3 | Very low | 46.9 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | trans | 105.2 | 171.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 310 | V | 38.2 | Very low | 46.5 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | cis | -142.3 | 152.7 | 7.1 | 180 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 311 | P | 58.1 | Low | 46.3 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | trans | -93.3 | 144.1 | -173.5 | -1.3 | 21.8 | 0 | 0 | 0 | 115.9 | ||||
| 312 | G | 54.1 | Low | 46.3 | Very low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | trans | 77.9 | 132.1 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 313 | D | 36.8 | Very low | 46.2 | Very low | 168 Ų | 168 | 129.6 Ų | 129.6 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | -166.1 | 159.7 | 124.5 | -113.8 | -22.1 | 0 | 0 | 0 | 112.3 | |||||
| 314 | P | 65.4 | Low | 46.2 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -117 | 159 | -170.4 | 41.3 | -33 | 0 | 0 | 0 | 117 | ||||
| 315 | G | 40.8 | Very low | 46.2 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | trans | 161.9 | 155.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 316 | A | 36.9 | Very low | 45.4 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | cis | -149 | -175.5 | -1.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 317 | V | 47.1 | Very low | 44.9 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 93% | 0.927 | 84% | 0.838 | S | S | * | * | trans | -123.5 | 142.4 | -166.5 | 174.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 318 | G | 50.3 | Low | 44.7 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | 123.1 | 158.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 319 | P | 46.8 | Very low | 44.8 | Very low | 142 Ų | 142 | 131 Ų | 131 | 92% | 0.922 | 83% | 0.831 | S | S | * | * | cis | -112.4 | -162.9 | 9.4 | 41.5 | -31.4 | 0 | 0 | 0 | 114.3 | ||||
| 320 | L | 44.2 | Very low | 44.4 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -123.4 | 140.7 | -165.1 | 179.2 | 72.2 | 0 | 0 | 0 | 114 | ||||
| 321 | G | 46 | Very low | 44.8 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 84% | 0.838 | S | S | * | * | trans | 108.2 | 160.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 322 | P | 40.1 | Very low | 43.8 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 92% | 0.922 | 85% | 0.845 | S | S | * | * | cis | -101.4 | -171.7 | 7.6 | 40.1 | -35 | 0 | 0 | 0 | 114.1 | ||||
| 323 | R | 46.5 | Very low | 43.1 | Very low | 250 Ų | 250 | 140.1 Ų | 140.1 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | trans | -114.5 | 127 | -174.7 | 167.2 | -178.7 | 169.7 | 159.2 | -3.6 | 112.3 | ||||
| 324 | G | 43.4 | Very low | 43.4 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 84% | 0.843 | S | S | * | * | trans | 117 | 103.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 325 | E | 37.3 | Very low | 42.3 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 96% | 0.958 | 84% | 0.842 | S | S | * | * | -159.2 | 164.2 | 107.1 | -105.5 | 178.8 | -179.1 | 0 | 0 | 109.8 | |||||
| 326 | R | 36.1 | Very low | 42.2 | Very low | 246 Ų | 246 | 141.7 Ų | 141.7 | 93% | 0.928 | 84% | 0.843 | S | S | * | * | trans | -116.1 | 111.9 | -172.4 | -180 | -173.6 | -72.8 | 174.3 | -4.1 | 110.7 | ||||
| 327 | G | 40.9 | Very low | 42.8 | Very low | 65 Ų | 65 | 144.6 Ų | 144.6 | 67% | 0.67 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 170.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 328 | N | 33.5 | Very low | 42.1 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 132.4 | 164.7 | -73.5 | -43.2 | 0 | 0 | 0 | 109.4 | ||
| 329 | P | 48.7 | Very low | 41.5 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 83% | 0.831 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.2 | 179.4 | -21.2 | 34 | 0 | 0 | 0 | 114.1 | ||
| 330 | G | 41.3 | Very low | 41.6 | Very low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -91 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 331 | E | 46.9 | Very low | 41.4 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 138.2 | -171 | -63.8 | 172.4 | 110.4 | 0 | 0 | 114.5 | ||
| 332 | R | 36.3 | Very low | 41.2 | Very low | 253 Ų | 253 | 144.9 Ų | 144.9 | 96% | 0.955 | 85% | 0.846 | S | S | * | * | trans | -169.2 | 132.9 | 167.3 | -176.3 | -173.7 | -61.7 | -175.2 | -0.8 | 106.8 | ||||
| 333 | G | 39.5 | Very low | 41 | Very low | 61 Ų | 61 | 148 Ų | 148 | 63% | 0.629 | 85% | 0.849 | S | S | * | * | cis | 159.3 | 146.6 | -0.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | P335 | G333-P335 WeakPolarHBondContact O-CD 3.27Š| ||
| 334 | E | 42.9 | Very low | 40.4 | Very low | 203 Ų | 203 | 146 Ų | 146 | 95% | 0.949 | 85% | 0.847 | S | S | * | * | trans | -82.7 | 136.6 | -174.3 | -70.5 | -168.8 | 108.7 | 0 | 0 | 114.2 | ||||
| 335 | P | 42.6 | Very low | 40 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | trans | -141.6 | 119.1 | 161.8 | 33.7 | -13 | 0 | 0 | 0 | 115.1 | G333 | G333-P335 WeakPolarHBondContact O-CD 3.27Š| ||
| 336 | G | 38.1 | Very low | 40 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | 90.5 | 142.8 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 337 | I | 50.9 | Low | 39.9 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | -129.9 | 129.3 | 174.5 | 49.8 | 165.3 | 0 | 0 | 0 | 112.2 | ||||
| 338 | T | 32.4 | Very low | 39.6 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 97% | 0.969 | 85% | 0.848 | S | S | * | * | trans | -169.3 | 143.2 | 164.3 | 3.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 339 | G | 36.9 | Very low | 39.6 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | cis | -170.5 | 158.6 | -8.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 340 | L | 49.9 | Very low | 38.9 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | trans | -92.1 | 132.2 | -170.9 | -77.7 | 167.8 | 0 | 0 | 0 | 114.6 | ||||
| 341 | P | 40.1 | Very low | 39.2 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | trans | -139.6 | 139.8 | 136.8 | 36 | -22.4 | 0 | 0 | 0 | 112.5 | ||||
| 342 | G | 41.8 | Very low | 38.7 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | cis | 151 | 135.6 | -6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 343 | E | 34.5 | Very low | 38.6 | Very low | 208 Ų | 208 | 128.8 Ų | 128.8 | 97% | 0.972 | 82% | 0.823 | S | S | * | * | trans | -121.3 | 150.1 | 174.6 | -74.8 | -160 | 109.2 | 0 | 0 | 112.7 | ||||
| 344 | K | 34.7 | Very low | 38.5 | Very low | 208 Ų | 208 | 128.6 Ų | 128.6 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -139.7 | 130.7 | -172.2 | 173.1 | -165 | -73.1 | -177.5 | 0 | 110.7 | ||||
| 345 | G | 35.4 | Very low | 38.6 | Very low | 60 Ų | 60 | 125.5 Ų | 125.5 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | 84.4 | 122.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 346 | M | 37.4 | Very low | 38.2 | Very low | 198 Ų | 198 | 126.7 Ų | 126.7 | 98% | 0.975 | 81% | 0.811 | S | S | * | * | cis | 55.7 | 132.2 | 43.3 | -44.7 | -176 | 170.9 | 0 | 0 | 111.7 | ||||
| 347 | A | 32.9 | Very low | 38.2 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | cis | -158.2 | 168.7 | 19.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 348 | G | 34.3 | Very low | 38.2 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 95 | 132.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 349 | G | 33.6 | Very low | 38.7 | Very low | 58 Ų | 58 | 122.2 Ų | 122.2 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | cis | 160.3 | 155.7 | -9.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 350 | H | 33.5 | Very low | 39 | Very low | 201 Ų | 201 | 122.3 Ų | 122.3 | 93% | 0.931 | 80% | 0.796 | S | S | * | * | trans | 69 | 137.2 | -178.4 | -43.4 | 86.4 | 0 | 0 | 0 | 113 | ||||
| 351 | G | 48.2 | Very low | 39.4 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 101.4 | 134.2 | 23.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 352 | P | 37.2 | Very low | 38.8 | Very low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -121.3 | -168 | 38.5 | 46.1 | -34.7 | 0 | 0 | 0 | 112.2 | ||||
| 353 | D | 34.5 | Very low | 38.4 | Very low | 161 Ų | 161 | 119.6 Ų | 119.6 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | cis | -144.4 | 173.9 | 12.5 | -135 | -41.7 | 0 | 0 | 0 | 113.7 | ||||
| 354 | G | 35.8 | Very low | 39.3 | Very low | 57 Ų | 57 | 116.9 Ų | 116.9 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 160.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 355 | P | 46.5 | Very low | 39.4 | Very low | 138 Ų | 138 | 113 Ų | 113 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 150.3 | -176.9 | 33.1 | -36.2 | 0 | 0 | 0 | 112.9 | ||||
| 356 | K | 33.8 | Very low | 39.6 | Very low | 145 Ų | 145 | 113.9 Ų | 113.9 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | trans | -124 | 127.1 | 171.4 | -135.1 | 171.4 | -172.8 | -178.4 | 0 | 110.6 | V263 | V263-K356 HydrophobicContact CB-CD 4.33Å; V263-K356 HydrophobicContact CG2-CD 3.75Å; V263-K356 HydrophobicContact CG2-CG 4.15Å | ||
| 357 | G | 37.4 | Very low | 40.4 | Very low | 64 Ų | 64 | 112 Ų | 112 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | trans | -77.5 | 157.5 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 358 | S | 51.7 | Low | 40.5 | Very low | 118 Ų | 118 | 114.3 Ų | 114.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -62.7 | 140.6 | 158.9 | 44.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 359 | P | 41.9 | Very low | 40.6 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -117.8 | 177 | 110.9 | -5.7 | 25.9 | 0 | 0 | 0 | 110.9 | |||||
| 360 | G | 43 | Very low | 41.9 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | cis | 162.4 | 153.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 361 | P | 58.3 | Low | 42.8 | Very low | 128 Ų | 128 | 113.3 Ų | 113.3 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -116 | 155.9 | -146.1 | 39.3 | -30.8 | 0 | 0 | 0 | 116 | ||||
| 362 | S | 28.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 113.5 Ų | 113.5 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -163.8 | 141 | 148.6 | -79.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 363 | G | 33.9 | Very low | 42.6 | Very low | 69 Ų | 69 | 116 Ų | 116 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | -171 | 156.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 364 | T | 52 | Low | 42.7 | Very low | 151 Ų | 151 | 115.2 Ų | 115.2 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -100.1 | 122.1 | -176.9 | 39.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 365 | P | 37.8 | Very low | 42.9 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -137.1 | 152.4 | 137.7 | 35.7 | -22.9 | 0 | 0 | 0 | 111.8 | ||||
| 366 | G | 38.5 | Very low | 42.9 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | 175 | 155.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 367 | D | 55.2 | Low | 43.4 | Very low | 159 Ų | 159 | 111.3 Ų | 111.3 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -79.9 | 168.6 | -178.2 | -90.7 | -61.6 | 0 | 0 | 0 | 114.7 | ||||
| 368 | T | 35.7 | Very low | 43.5 | Very low | 148 Ų | 148 | 111.6 Ų | 111.6 | 91% | 0.908 | 77% | 0.765 | S | S | * | * | trans | 92 | 129.7 | 177.3 | -38.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 369 | G | 34.7 | Very low | 43.4 | Very low | 62 Ų | 62 | 115.4 Ų | 115.4 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | cis | -176.6 | -170.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 370 | P | 61.1 | Low | 43.2 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -82.3 | 172.8 | 176.2 | 36.3 | -37.1 | 0 | 0 | 0 | 112.7 | ||||
| 371 | P | 53.1 | Low | 42.9 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | cis | -131.1 | -171.7 | 1.8 | 42.7 | -26 | 0 | 0 | 0 | 115.1 | ||||
| 372 | G | 36.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -172 | 163.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 373 | L | 44.4 | Very low | 42.6 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -142.3 | 161.9 | -171.9 | -87.5 | 170.1 | 0 | 0 | 0 | 114.3 | ||||
| 374 | Q | 36.3 | Very low | 42.9 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | trans | 77.7 | 146 | 154.7 | -159.8 | 169.1 | -20.5 | 0 | 0 | 117.9 | E478 | Q374-E478 VanDerWaalsContact NE2-CD 3.35Å; Q374-E478 PolarHBondContact NE2-OE2 3.32Å | ||
| 375 | G | 39.3 | Very low | 42.5 | Very low | 34 Ų | 34 | 122.8 Ų | 122.8 | 35% | 0.351 | 78% | 0.783 | S | S | . | * | cis | -164 | -173.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E475 | G375-E475 VanDerWaalsContact O-CB 3.29Å; G375-E475 WeakPolarHBondContact O-CB 3.48Å | ||
| 376 | M | 47 | Very low | 42.9 | Very low | 151 Ų | 151 | 123.2 Ų | 123.2 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -103.1 | 147 | -172.6 | -69 | -170 | 74.4 | 0 | 0 | 114.4 | E475 | M376-E475 VanDerWaalsContact CA-CD 3.43Å; M376-E475 VanDerWaalsContact CA-OE1 3.23Å; M376-E475 WeakPolarHBondContact CA-OE1 3.48Å; M376-E475 WeakPolarHBondContact CB-OE1 3.42Å; M376-E475 WeakPolarHBondContact CE-OE1 3.31Å; M376-E475 WeakPolarHBondContact CG-OE1 3.49Å | ||
| 377 | P | 44.6 | Very low | 43 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 47% | 0.468 | 78% | 0.782 | S | S | . | * | -155.7 | 151.3 | 105.7 | 37.5 | -18 | 0 | 0 | 0 | 118.5 | E475 P476 | P377-E475 VanDerWaalsContact C-OE1 3.26Å; P377-E475 VanDerWaalsContact CA-OE1 3.32Å; P377-E475 WeakPolarHBondContact CA-OE1 3.44Å; P377-E475 VanDerWaalsContact CD-CB 3.46Å; P377-E475 VanDerWaalsContact N-OE1 3.1Å; P377-P476 VanDerWaalsContact CD-CD 3.48Å; P377-P476 WeakPolarHBondContact CD-O 3.37Å | |||
| 378 | G | 39.6 | Very low | 43.2 | Very low | 71 Ų | 71 | 121.6 Ų | 121.6 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 133.7 | 102.2 | 130.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 379 | E | 48.9 | Very low | 43.7 | Very low | 198 Ų | 198 | 124.6 Ų | 124.6 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -81.5 | 146.3 | 164.3 | -66.6 | -178 | 95.2 | 0 | 0 | 113.2 | ||||
| 380 | R | 37.4 | Very low | 44.6 | Very low | 250 Ų | 250 | 124.6 Ų | 124.6 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | 169.2 | 133.8 | 116.8 | 179.8 | 174 | -62.9 | -167 | 0.4 | 112.3 | |||||
| 381 | G | 36.7 | Very low | 43.3 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 169.3 | 75.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 382 | I | 51.3 | Low | 42.8 | Very low | 177 Ų | 177 | 132.1 Ų | 132.1 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | -93.5 | 142.3 | 170.8 | 49.1 | 167.5 | 0 | 0 | 0 | 111.5 | ||||
| 383 | A | 30.2 | Very low | 43.1 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -154.5 | 132.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 384 | G | 40.8 | Very low | 42.8 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 73.7 | 114 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 385 | T | 43.9 | Very low | 42.9 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -93.8 | 143.5 | 161.4 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 386 | P | 44.8 | Very low | 43 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -69.9 | 148.8 | 180 | -20.7 | 33.6 | 0 | 0 | 0 | 114.9 | ||||
| 387 | G | 41.9 | Very low | 42.7 | Very low | 70 Ų | 70 | 133.9 Ų | 133.9 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | trans | -106 | 169.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 388 | P | 57.7 | Low | 42.4 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 87% | 0.87 | 85% | 0.851 | S | S | * | * | trans | -87.6 | 161.4 | -174.5 | 35.3 | -36.3 | 0 | 0 | 0 | 114.7 | ||||
| 389 | K | 46.2 | Very low | 42.4 | Very low | 211 Ų | 211 | 140.2 Ų | 140.2 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -98.5 | 137.6 | 172.8 | 174.1 | -174.1 | 178.9 | -177.3 | 0 | 109.4 | ||||
| 390 | G | 54.7 | Low | 42 | Very low | 61 Ų | 61 | 135.6 Ų | 135.6 | 63% | 0.629 | 85% | 0.851 | S | S | * | * | cis | 143.7 | 146.6 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 391 | D | 33.8 | Very low | 41.9 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | trans | -153.9 | 170.8 | 178.4 | -124.9 | -37.3 | 0 | 0 | 0 | 114.4 | ||||
| 392 | R | 43.5 | Very low | 42.1 | Very low | 243 Ų | 243 | 132.9 Ų | 132.9 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | trans | -128.8 | 120.6 | -155.8 | -174.4 | -173.7 | -172.3 | -180 | 4.4 | 117.1 | ||||
| 393 | G | 42.6 | Very low | 41.4 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | 109.6 | 148 | 140.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 394 | G | 37.9 | Very low | 41.8 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | 145.8 | 124 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 395 | I | 38.3 | Very low | 41.8 | Very low | 187 Ų | 187 | 129.6 Ų | 129.6 | 96% | 0.959 | 83% | 0.832 | S | S | * | * | trans | -113.1 | 135.8 | 169.9 | -62.2 | 170.8 | 0 | 0 | 0 | 107.4 | ||||
| 396 | G | 41.1 | Very low | 41.3 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | 159.1 | 126 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 397 | E | 40.1 | Very low | 41.1 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | trans | -82.5 | 151.5 | -176.4 | -68.8 | -176.6 | 78.9 | 0 | 0 | 114.9 | ||||
| 398 | K | 38.3 | Very low | 41.4 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 86% | 0.861 | 84% | 0.836 | S | S | * | * | trans | 64.3 | 104.7 | 133.6 | -171 | 178.5 | -173.2 | 175.3 | 0 | 120.1 | ||||
| 399 | G | 39.9 | Very low | 40.4 | Very low | 79 Ų | 79 | 130.9 Ų | 130.9 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | -150.3 | 152.1 | 152 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 400 | A | 41.4 | Very low | 40 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -137.2 | 175.1 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 401 | E | 35 | Very low | 39.6 | Very low | 199 Ų | 199 | 133 Ų | 133 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | 74.6 | 134.5 | 171.3 | -155.9 | 163.4 | -139.3 | 0 | 0 | 114.9 | ||||
| 402 | G | 40.7 | Very low | 39.5 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | cis | 175.6 | 176.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 403 | T | 36 | Very low | 39.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 83% | 0.83 | S | S | * | * | cis | -162.4 | 148.2 | -6.4 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 404 | A | 38.8 | Very low | 39.6 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | trans | 64.3 | 153.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 405 | G | 42.4 | Very low | 40 | Very low | 60 Ų | 60 | 129.1 Ų | 129.1 | 62% | 0.619 | 83% | 0.825 | S | S | * | * | cis | 166.3 | -178.2 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 406 | N | 33.4 | Very low | 40 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | trans | 94.9 | 149.1 | 167.6 | -49.6 | -73.1 | 0 | 0 | 0 | 120.7 | ||||
| 407 | D | 40.1 | Very low | 40 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -89.9 | -177 | -177.9 | -38.1 | -93.4 | 0 | 0 | 0 | 112.9 | ||||
| 408 | G | 46.9 | Very low | 40.6 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | cis | 154 | 142.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 409 | A | 36.6 | Very low | 41 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -166.7 | 137.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 410 | R | 38.1 | Very low | 41 | Very low | 255 Ų | 255 | 117.2 Ų | 117.2 | 96% | 0.962 | 78% | 0.777 | S | S | * | * | 70.9 | 127.9 | 65.9 | -160.6 | 173.8 | -173.5 | 161.1 | 3.5 | 114.7 | |||||
| 411 | G | 46 | Very low | 41.7 | Very low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -135.5 | -137 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 412 | L | 33.3 | Very low | 41.9 | Very low | 173 Ų | 173 | 114.6 Ų | 114.6 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | 87.6 | 162.7 | -160.7 | -57 | 170.9 | 0 | 0 | 0 | 113.2 | ||||
| 413 | P | 44.7 | Very low | 42 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -123.6 | -169.6 | -9.5 | 25.7 | -1.8 | 0 | 0 | 0 | 113.7 | ||||
| 414 | G | 42.5 | Very low | 43.6 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 415 | P | 46.8 | Very low | 43.6 | Very low | 135 Ų | 135 | 117 Ų | 117 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -86.1 | 143.2 | -165.4 | 33.1 | -35.8 | 0 | 0 | 0 | 115.7 | ||||
| 416 | L | 37.2 | Very low | 43.7 | Very low | 164 Ų | 164 | 117.5 Ų | 117.5 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -115.6 | 139 | 160.9 | -166.6 | 76.4 | 0 | 0 | 0 | 107.4 | ||||
| 417 | G | 41.8 | Very low | 44.9 | Very low | 32 Ų | 32 | 119.1 Ų | 119.1 | 33% | 0.33 | 79% | 0.792 | S | S | . | * | trans | -106.5 | -158.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | P419 | G417-P419 WeakPolarHBondContact O-CD 3.5Š| ||
| 418 | P | 53.4 | Low | 44.9 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 57% | 0.571 | 80% | 0.795 | S | S | * | * | trans | -93.3 | 126.5 | -147.8 | 32.6 | -37.1 | 0 | 0 | 0 | 117.6 | ||||
| 419 | P | 45.6 | Very low | 44.7 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -74.8 | 161.3 | 152.3 | -13.2 | 31 | 0 | 0 | 0 | 112.3 | G417 | G417-P419 WeakPolarHBondContact O-CD 3.5Š| ||
| 420 | G | 41.2 | Very low | 45.3 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -93.9 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 421 | P | 54.6 | Low | 45.6 | Very low | 135 Ų | 135 | 120 Ų | 120 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -103 | 146.5 | -167.3 | 37.8 | -34.4 | 0 | 0 | 0 | 116.5 | ||||
| 422 | A | 40.1 | Very low | 45.5 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -162.1 | 149.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 423 | G | 42.9 | Very low | 47.1 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | -157 | -179.4 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 424 | P | 69.9 | Low | 46.8 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -96.1 | 150.3 | -158.5 | 35.7 | -36.6 | 0 | 0 | 0 | 117.4 | ||||
| 425 | T | 38.7 | Very low | 46.7 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -173 | 146.5 | 161.4 | -74.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 426 | G | 44.3 | Very low | 47.3 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | -176.8 | 167.3 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 427 | E | 59 | Low | 47.6 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -96.1 | 147.9 | -162.1 | -68.2 | -171.8 | 112.2 | 0 | 0 | 118.2 | ||||
| 428 | K | 39.1 | Very low | 47.6 | Very low | 219 Ų | 219 | 127.7 Ų | 127.7 | 95% | 0.952 | 82% | 0.82 | S | S | * | * | trans | -171.8 | 152.6 | 151.7 | -108.7 | 167.8 | -179.7 | 175.6 | 0 | 109.4 | ||||
| 429 | G | 41.9 | Very low | 48.3 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 83% | 0.833 | S | S | * | * | cis | 164 | 130.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 430 | E | 50.3 | Low | 48.4 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 94% | 0.939 | 84% | 0.836 | S | S | * | * | trans | -94.7 | 148.4 | -164.4 | -60.7 | -175.4 | 111.9 | 0 | 0 | 116.3 | ||||
| 431 | P | 44.6 | Very low | 48.5 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 84% | 0.844 | 84% | 0.836 | S | S | * | * | trans | -121 | 148.6 | 145.5 | 1.8 | 20.7 | 0 | 0 | 0 | 113.4 | ||||
| 432 | G | 43.3 | Very low | 48.1 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | trans | -93.8 | -170.3 | -163 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 433 | P | 67.9 | Low | 47.9 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | -111 | 171 | -147.8 | 41.2 | -38.9 | 0 | 0 | 0 | 118.8 | ||||
| 434 | R | 38.2 | Very low | 47.7 | Very low | 254 Ų | 254 | 136 Ų | 136 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | trans | -163.6 | 162.2 | 161.3 | -101.7 | 165.2 | 175.5 | 165.1 | -1.4 | 108.2 | ||||
| 435 | G | 40.5 | Very low | 46.5 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 84% | 0.835 | S | S | * | * | cis | -179.4 | 174.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 436 | L | 57.9 | Low | 47.1 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -139.4 | 136.6 | -171.1 | -73.5 | 173.3 | 0 | 0 | 0 | 115.9 | ||||
| 437 | V | 44 | Very low | 46.8 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -160.2 | 151.6 | 167.2 | -177 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 438 | G | 41.3 | Very low | 46.1 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 83% | 0.833 | S | S | * | * | cis | 161.5 | 121.8 | -7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 439 | P | 68.9 | Low | 46.1 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | trans | -101.7 | 160.6 | -167.7 | 38.7 | -37.2 | 0 | 0 | 0 | 116.5 | ||||
| 440 | P | 48 | Very low | 46.1 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 84% | 0.836 | S | S | * | * | -140.2 | -173.1 | 107.1 | 40.3 | -27.2 | 0 | 0 | 0 | 112.4 | |||||
| 441 | G | 42.7 | Very low | 46.1 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | cis | 110.4 | 138.1 | 0.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 442 | S | 46.1 | Very low | 45.8 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | cis | -169.9 | -167.2 | -8.8 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 443 | R | 37.3 | Very low | 45.8 | Very low | 254 Ų | 254 | 136.8 Ų | 136.8 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | trans | 90 | 139.7 | 166.5 | -157 | 176.4 | -166.7 | 158.9 | 4.4 | 117.8 | ||||
| 444 | G | 38.5 | Very low | 45.6 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 65% | 0.649 | 83% | 0.831 | S | S | * | * | cis | -175.6 | 176.3 | -4.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 445 | N | 45 | Very low | 45.8 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 87% | 0.872 | 83% | 0.826 | S | S | * | * | trans | -93.6 | 172.9 | -166.2 | -44.9 | -23.7 | 0 | 0 | 0 | 113.9 | ||||
| 446 | P | 49.6 | Very low | 45.9 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | -154.2 | 167.2 | 85.2 | 41 | -22.6 | 0 | 0 | 0 | 118 | |||||
| 447 | G | 39.8 | Very low | 45.9 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | 149.9 | 127.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 448 | S | 43.8 | Very low | 45.7 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | trans | -150.1 | 134.2 | -171.4 | 54.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 449 | R | 38.9 | Very low | 45.7 | Very low | 257 Ų | 257 | 128.3 Ų | 128.3 | 97% | 0.97 | 83% | 0.828 | S | S | * | * | trans | -173.7 | 132.8 | 162.5 | -167.4 | 176 | -171 | 169.2 | 2.2 | 108.5 | ||||
| 450 | G | 42.3 | Very low | 44.9 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | cis | -178.6 | 139.8 | -11.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 451 | E | 49.6 | Very low | 44.5 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 93% | 0.925 | 83% | 0.834 | S | S | * | * | trans | -76.2 | 152.8 | -177.9 | -69.2 | 175 | 93.2 | 0 | 0 | 112.8 | ||||
| 452 | N | 38.7 | Very low | 44.3 | Very low | 172 Ų | 172 | 131 Ų | 131 | 92% | 0.92 | 83% | 0.829 | S | S | * | * | trans | -142.4 | 136.6 | 161.6 | -134.2 | 57.9 | 0 | 0 | 0 | 109.2 | ||||
| 453 | G | 42.6 | Very low | 44.2 | Very low | 59 Ų | 59 | 131.2 Ų | 131.2 | 61% | 0.608 | 83% | 0.827 | S | S | * | * | trans | -81.9 | 176.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 454 | P | 64 | Low | 44.2 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | -76.5 | 144.7 | -176.9 | 32.3 | -35.7 | 0 | 0 | 0 | 112.7 | ||||
| 455 | T | 41.7 | Very low | 44.3 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -142.3 | 124 | 177.3 | -67 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 456 | G | 43.3 | Very low | 44.3 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | 51.9 | 98.5 | 137.5 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 457 | A | 57.7 | Low | 43.6 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -84.4 | 110.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 458 | V | 39.6 | Very low | 43.6 | Very low | 151 Ų | 151 | 126.2 Ų | 126.2 | 92% | 0.915 | 80% | 0.804 | S | S | * | * | trans | -145.1 | 143.1 | 166.8 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 459 | G | 42.3 | Very low | 43.2 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 104.7 | 63.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A461 | G459-A461 VanDerWaalsContact C-N 3.28Å; G459-A461 PolarHBondContact O-N 2.59Å | ||
| 460 | F | 52 | Low | 43.6 | Very low | 226 Ų | 226 | 122.8 Ų | 122.8 | 99% | 0.991 | 80% | 0.796 | S | S | * | * | trans | -75.1 | 80.3 | 160.8 | -97.2 | -85.4 | 0 | 0 | 0 | 110.8 | ||||
| 461 | A | 38.4 | Very low | 43.5 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -160 | 113 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G459 | G459-A461 VanDerWaalsContact C-N 3.28Å; G459-A461 PolarHBondContact O-N 2.59Å | ||
| 462 | G | 39.2 | Very low | 43.1 | Very low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | cis | -168.2 | 158.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q464 | G462-Q464 VanDerWaalsContact C-N 3.31Å; G462-Q464 PolarHBondContact O-N 3.19Å | ||
| 463 | P | 44.2 | Very low | 43.2 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 77 | -178.1 | 32.3 | -35.3 | 0 | 0 | 0 | 111.9 | G465 | P463-G465 WeakPolarHBondContact O-CA 3.41Š| ||
| 464 | Q | 37.1 | Very low | 43.7 | Very low | 200 Ų | 200 | 122.3 Ų | 122.3 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -89.2 | 115.1 | 157.2 | -178.3 | -174.3 | -0.1 | 0 | 0 | 108.3 | G462 | G462-Q464 VanDerWaalsContact C-N 3.31Å; G462-Q464 PolarHBondContact O-N 3.19Å | ||
| 465 | G | 40.9 | Very low | 42.3 | Very low | 46 Ų | 46 | 120.4 Ų | 120.4 | 47% | 0.474 | 77% | 0.774 | S | S | . | * | cis | -153.4 | 145.2 | -15.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | P463 D467 | P463-G465 WeakPolarHBondContact O-CA 3.41Å; G465-D467 PolarHBondContact O-N 2.99Å | ||
| 466 | P | 44.5 | Very low | 43.3 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 61.4 | 179.7 | 33.7 | -35.7 | 0 | 0 | 0 | 111.5 | G468 | P466-G468 VanDerWaalsContact O-CA 3.25Å; P466-G468 WeakPolarHBondContact O-CA 3.46Å | ||
| 467 | D | 35.8 | Very low | 43.9 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 116.2 | 165.5 | -80 | -28.4 | 0 | 0 | 0 | 109.1 | G465 | G465-D467 PolarHBondContact O-N 2.99Š|
| 468 | G | 38.1 | Very low | 42.8 | Very low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -142.6 | 127.7 | -16.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P466 P470 | P466-G468 VanDerWaalsContact O-CA 3.25Å; P466-G468 WeakPolarHBondContact O-CA 3.46Å; G468-P470 WeakPolarHBondContact O-CD 3.41Å |
| 469 | Q | 36.6 | Very low | 43.7 | Very low | 181 Ų | 181 | 118.8 Ų | 118.8 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -66.9 | 116.7 | 166.2 | -74.9 | -170.9 | -0.7 | 0 | 0 | 108 | G471 | Q469-G471 PolarHBondContact O-N 3.22Š| ||
| 470 | P | 46.6 | Very low | 44.1 | Very low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -64.5 | 114.1 | 174.2 | -17.2 | 33 | 0 | 0 | 0 | 107.3 | G468 | G468-P470 WeakPolarHBondContact O-CD 3.41Š| ||
| 471 | G | 41.7 | Very low | 43.5 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | -58.9 | 151.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q469 K473 | Q469-G471 PolarHBondContact O-N 3.22Å; G471-K473 PolarHBondContact O-N 2.92Å | ||
| 472 | V | 41.2 | Very low | 44 | Very low | 154 Ų | 154 | 122 Ų | 122 | 93% | 0.933 | 75% | 0.745 | S | S | * | * | trans | -51.4 | 102.3 | 168.7 | -89 | 0 | 0 | 0 | 0 | 110.1 | G474 | V472-G474 PolarHBondContact O-N 3Å; V472-G474 VanDerWaalsContact O-N 3.1Å | ||
| 473 | K | 40.4 | Very low | 44.3 | Very low | 211 Ų | 211 | 122.3 Ų | 122.3 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | trans | -71.9 | 105.2 | 175.2 | -176.3 | 174.1 | 179.9 | 178.2 | 0 | 108 | G471 | G471-K473 PolarHBondContact O-N 2.92Š| ||
| 474 | G | 53.3 | Low | 44.2 | Very low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | trans | -68.7 | 174.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V472 | V472-G474 PolarHBondContact O-N 3Å; V472-G474 VanDerWaalsContact O-N 3.1Å | ||
| 475 | E | 34.1 | Very low | 44.5 | Very low | 92 Ų | 92 | 119.3 Ų | 119.3 | 43% | 0.43 | 75% | 0.745 | S | S | . | * | trans | -63.4 | 126.7 | 179.9 | -74.5 | -176.6 | 108.4 | 0 | 0 | 112.5 | G375 M376 P377 | G375-E475 VanDerWaalsContact O-CB 3.29Å; G375-E475 WeakPolarHBondContact O-CB 3.48Å; M376-E475 VanDerWaalsContact CA-CD 3.43Å; M376-E475 VanDerWaalsContact CA-OE1 3.23Å; M376-E475 WeakPolarHBondContact CA-OE1 3.48Å; M376-E475 WeakPolarHBondContact CB-OE1 3.42Å; M376-E475 WeakPolarHBondContact CE-OE1 3.31Å; M376-E475 WeakPolarHBondContact CG-OE1 3.49Å; P377-E475 VanDerWaalsContact C-OE1 3.26Å; P377-E475 VanDerWaalsContact CA-OE1 3.32Å; P377-E475 WeakPolarHBondContact CA-OE1 3.44Å; P377-E475 VanDerWaalsContact CD-CB 3.46Å; P377-E475 VanDerWaalsContact N-OE1 3.1Å | ||
| 476 | P | 62.8 | Low | 44.3 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | trans | -62.3 | 139.1 | 176.6 | -30.1 | 37.4 | 0 | 0 | 0 | 115.8 | P377 | P377-P476 VanDerWaalsContact CD-CD 3.48Å; P377-P476 WeakPolarHBondContact CD-O 3.37Å | ||
| 477 | G | 54.9 | Low | 44.1 | Very low | 62 Ų | 62 | 120.8 Ų | 120.8 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | trans | -90.3 | -174.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 478 | E | 35.4 | Very low | 44.4 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | -67.3 | 151 | -177.9 | -75.9 | -175.5 | 95.8 | 0 | 0 | 114.6 | Q374 G480 | Q374-E478 VanDerWaalsContact NE2-CD 3.35Å; Q374-E478 PolarHBondContact NE2-OE2 3.32Å; E478-G480 PolarHBondContact O-N 2.92Å; E478-G480 VanDerWaalsContact O-N 3.15Å | ||
| 479 | P | 58.9 | Low | 44.4 | Very low | 132 Ų | 132 | 119.2 Ų | 119.2 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -68.1 | 104.8 | 165.7 | -17 | 31.8 | 0 | 0 | 0 | 112.1 | ||||
| 480 | G | 50.4 | Low | 45.6 | Very low | 70 Ų | 70 | 116.6 Ų | 116.6 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 160.4 | 171 | 0 | 0 | 0 | 0 | 0 | 113.7 | E478 | E478-G480 PolarHBondContact O-N 2.92Å; E478-G480 VanDerWaalsContact O-N 3.15Å |
| 481 | Q | 39.3 | Very low | 45 | Very low | 195 Ų | 195 | 120.2 Ų | 120.2 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 151.4 | -179.3 | -64.9 | 179.1 | 4.4 | 0 | 0 | 112.8 | G483 | Q481-G483 PolarHBondContact O-N 2.84Š|
| 482 | K | 48.5 | Very low | 44.8 | Very low | 192 Ų | 192 | 120.3 Ų | 120.3 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 123.9 | 163.6 | 177.4 | -167.9 | -66 | -176.5 | 0 | 109.1 | ||
| 483 | G | 45 | Very low | 45.5 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 140.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q481 | Q481-G483 PolarHBondContact O-N 2.84Š|
| 484 | D | 43.9 | Very low | 45.3 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 169.6 | 164 | -88.9 | -56.5 | 0 | 0 | 0 | 111.5 | ||
| 485 | A | 41.5 | Very low | 44.4 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 145.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 486 | G | 38.6 | Very low | 45.2 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 159.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P488 | G486-P488 WeakPolarHBondContact O-CD 3.37Š|
| 487 | S | 39.5 | Very low | 44 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 117.4 | -174.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 488 | P | 42.3 | Very low | 43.1 | Very low | 125 Ų | 125 | 120 Ų | 120 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 156 | 158.7 | -21.7 | 34.7 | 0 | 0 | 0 | 112.2 | G486 | G486-P488 WeakPolarHBondContact O-CD 3.37Š|
| 489 | G | 37.5 | Very low | 44.2 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -87.2 | -156 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 490 | P | 63 | Low | 43 | Very low | 127 Ų | 127 | 122 Ų | 122 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -125.6 | -179.9 | -128.8 | 25.6 | -3 | 0 | 0 | 0 | 115.9 | |||||
| 491 | Q | 33.9 | Very low | 42.4 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | 81.8 | 137.2 | 174.4 | -161.3 | 167.4 | -36 | 0 | 0 | 114.9 | ||||
| 492 | G | 36.7 | Very low | 42.6 | Very low | 66 Ų | 66 | 118.7 Ų | 118.7 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | cis | -160.7 | -174.9 | 7.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 493 | L | 56.6 | Low | 41.9 | Very low | 186 Ų | 186 | 117.5 Ų | 117.5 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | trans | -81 | 120.7 | -177.3 | -67.4 | 161.2 | 0 | 0 | 0 | 111.6 | ||||
| 494 | A | 35 | Very low | 41.6 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -161.2 | 122.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 495 | G | 35.6 | Very low | 42 | Very low | 71 Ų | 71 | 116.1 Ų | 116.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 80.9 | 140.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 496 | S | 49.6 | Very low | 42 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -126.5 | 76.1 | 161.4 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 497 | P | 38.1 | Very low | 42.4 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -91.8 | 133.3 | -174 | -1.4 | 23 | 0 | 0 | 0 | 112.9 | ||||
| 498 | G | 35.4 | Very low | 42.2 | Very low | 64 Ų | 64 | 119.8 Ų | 119.8 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | 63.7 | 89.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | H500 | G498-H500 PolarHBondContact O-N 3.02Š| ||
| 499 | P | 58.7 | Low | 42.2 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -73.3 | 107.2 | 164 | 30.4 | -32.6 | 0 | 0 | 0 | 111.1 | ||||
| 500 | H | 33.8 | Very low | 42.4 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | trans | -143.5 | 145.2 | 167.6 | -91.1 | 43.9 | 0 | 0 | 0 | 108.5 | G498 | G498-H500 PolarHBondContact O-N 3.02Š| ||
| 501 | G | 37.2 | Very low | 41.4 | Very low | 67 Ų | 67 | 121.6 Ų | 121.6 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | cis | -151.4 | 172 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 502 | P | 44.6 | Very low | 41.6 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -91.3 | 163.5 | -166 | 36.3 | -36.8 | 0 | 0 | 0 | 114.4 | ||||
| 503 | N | 33.1 | Very low | 41.8 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -109.4 | 136.3 | 150.5 | -111.1 | -8.3 | 0 | 0 | 0 | 108.8 | ||||
| 504 | G | 38.6 | Very low | 41.7 | Very low | 60 Ų | 60 | 122.9 Ų | 122.9 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | trans | -72.4 | 145.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 505 | V | 51.8 | Low | 41.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | 63.2 | 112.7 | 60.7 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 506 | P | 42.7 | Very low | 41.9 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | -115.1 | 163.3 | 88.3 | -2.6 | 23.1 | 0 | 0 | 0 | 112.7 | |||||
| 507 | G | 46 | Very low | 42.2 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | cis | 120.8 | 127.3 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 508 | L | 35.8 | Very low | 42.4 | Very low | 166 Ų | 166 | 127.7 Ų | 127.7 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | cis | -156.6 | 130.7 | 1.6 | -96.9 | 171.1 | 0 | 0 | 0 | 113.8 | ||||
| 509 | K | 42.6 | Very low | 42.6 | Very low | 206 Ų | 206 | 128.5 Ų | 128.5 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | trans | 49.2 | 126.3 | 131.6 | -171.3 | 179.7 | -179.5 | 179.7 | 0 | 123.9 | ||||
| 510 | G | 41.4 | Very low | 42.5 | Very low | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | 134.7 | 140.9 | 126.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 511 | G | 42.3 | Very low | 42.7 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | cis | 151.4 | 81.4 | -16.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 512 | R | 37.2 | Very low | 42.6 | Very low | 263 Ų | 263 | 125 Ų | 125 | 99% | 0.992 | 82% | 0.821 | S | S | * | * | trans | -172.9 | 153.7 | 161.6 | -127.2 | 176.2 | 179.2 | 168.9 | -0.3 | 108.7 | ||||
| 513 | G | 41.8 | Very low | 42.5 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | cis | -171.4 | 164.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 514 | T | 55 | Low | 43.6 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | -110.5 | 128.2 | -162.5 | 50.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 515 | Q | 31.8 | Very low | 44 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 95% | 0.949 | 83% | 0.83 | S | S | * | * | trans | -168.2 | 153.5 | 161.9 | -164.8 | 168.8 | 10.6 | 0 | 0 | 108 | ||||
| 516 | G | 43 | Very low | 43.6 | Very low | 52 Ų | 52 | 127 Ų | 127 | 54% | 0.536 | 83% | 0.83 | S | S | . | * | cis | 177.3 | 153.9 | -10 | 0 | 0 | 0 | 0 | 0 | 109.4 | P518 | G516-P518 WeakPolarHBondContact O-CD 3.18Š| ||
| 517 | P | 56.1 | Low | 43.9 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -94.5 | 124 | -165.8 | 34.3 | -33.7 | 0 | 0 | 0 | 115.5 | ||||
| 518 | P | 41.2 | Very low | 44 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -144.5 | 155.8 | 147.1 | 38.2 | -23.7 | 0 | 0 | 0 | 115.2 | G516 | G516-P518 WeakPolarHBondContact O-CD 3.18Š| ||
| 519 | G | 39.4 | Very low | 44.3 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | 117.7 | 119.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 520 | A | 56.4 | Low | 44.9 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -126.6 | 127.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 521 | T | 37.8 | Very low | 45.8 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 93% | 0.933 | 82% | 0.821 | S | S | * | * | trans | -172.7 | 140.9 | 176.1 | 5.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 522 | G | 36.7 | Very low | 46.6 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | cis | -159.5 | 168.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P524 | G522-P524 WeakPolarHBondContact O-CD 3.43Š| ||
| 523 | F | 42.4 | Very low | 47.9 | Very low | 215 Ų | 215 | 121.2 Ų | 121.2 | 94% | 0.943 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 130.3 | -173.8 | -82.1 | -95.7 | 0 | 0 | 0 | 113.9 | ||
| 524 | P | 55.3 | Low | 48.8 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 142.4 | 151.4 | -13.5 | 30.3 | 0 | 0 | 0 | 110.6 | G522 | G522-P524 WeakPolarHBondContact O-CD 3.43Š|
| 525 | G | 47.7 | Very low | 49 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 154.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A527 | G525-A527 PolarHBondContact O-N 2.85Š|
| 526 | S | 43.2 | Very low | 50.2 | Low | 122 Ų | 122 | 115.1 Ų | 115.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 120.9 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 112 | ||
| 527 | A | 48.3 | Very low | 50.7 | Low | 100 Ų | 100 | 116 Ų | 116 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G525 | G525-A527 PolarHBondContact O-N 2.85Š|
| 528 | G | 48.2 | Very low | 50.5 | Low | 72 Ų | 72 | 114 Ų | 114 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V530 | G528-V530 PolarHBondContact O-N 3.11Å; G528-V530 VanDerWaalsContact O-N 3.16Å |
| 529 | R | 42.3 | Very low | 51.6 | Low | 256 Ų | 256 | 114 Ų | 114 | 97% | 0.966 | 80% | 0.804 | S | S | * | * | trans | -64.1 | 114 | 169.6 | -76.2 | -176.2 | 171.7 | -134.5 | -0.2 | 109.5 | ||||
| 530 | V | 56.1 | Low | 52.5 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.3 | 159.2 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | G528 | G528-V530 PolarHBondContact O-N 3.11Å; G528-V530 VanDerWaalsContact O-N 3.16Å |
| 531 | G | 59.3 | Low | 52.5 | Low | 52 Ų | 52 | 115 Ų | 115 | 54% | 0.536 | 80% | 0.799 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 156.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 532 | P | 60.2 | Low | 53.7 | Low | 124 Ų | 124 | 112.6 Ų | 112.6 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.8 | 172.4 | 26.8 | -33.9 | 0 | 0 | 0 | 109.7 | G534 | P532-G534 PolarHBondContact O-N 2.85Š|
| 533 | P | 64.4 | Low | 54.5 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137.6 | 173.5 | -26.2 | 35.1 | 0 | 0 | 0 | 111.2 | ||
| 534 | G | 60.2 | Low | 55.2 | Low | 63 Ų | 63 | 108.8 Ų | 108.8 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 149.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P532 A536 | P532-G534 PolarHBondContact O-N 2.85Å; G534-A536 PolarHBondContact O-N 2.9Å |
| 535 | P | 59.3 | Low | 55.1 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138.2 | 178.7 | 25.5 | -34.2 | 0 | 0 | 0 | 110.6 | G537 | P535-G537 PolarHBondContact O-N 3.06Š|
| 536 | A | 56 | Low | 55 | Low | 102 Ų | 102 | 110.4 Ų | 110.4 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 131.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G534 | G534-A536 PolarHBondContact O-N 2.9Š|
| 537 | G | 55.2 | Low | 55.4 | Low | 70 Ų | 70 | 113.2 Ų | 113.2 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 142.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P535 | P535-G537 PolarHBondContact O-N 3.06Š|
| 538 | A | 51.3 | Low | 56.2 | Low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 136.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | G540 | A538-G540 PolarHBondContact O-N 2.9Š|
| 539 | P | 64.8 | Low | 56.1 | Low | 129 Ų | 129 | 114.4 Ų | 114.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.2 | 175.6 | -25.7 | 35 | 0 | 0 | 0 | 111.8 | ||
| 540 | G | 57.9 | Low | 56.7 | Low | 66 Ų | 66 | 111.6 Ų | 111.6 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 147.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A538 | A538-G540 PolarHBondContact O-N 2.9Š|
| 541 | P | 56.7 | Low | 56 | Low | 132 Ų | 132 | 114.6 Ų | 114.6 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 140.4 | 178 | 26.9 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 542 | A | 61.8 | Low | 55 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 543 | G | 54.5 | Low | 54.8 | Low | 64 Ų | 64 | 115.6 Ų | 115.6 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 544 | P | 56.4 | Low | 53.8 | Low | 136 Ų | 136 | 115.8 Ų | 115.8 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.9 | -179.5 | 27.4 | -34.4 | 0 | 0 | 0 | 111.7 | ||
| 545 | L | 54.2 | Low | 52.9 | Low | 174 Ų | 174 | 116.3 Ų | 116.3 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 136.6 | 176 | -170.5 | 69.1 | 0 | 0 | 0 | 110.5 | ||
| 546 | G | 45.4 | Very low | 52 | Low | 61 Ų | 61 | 118.4 Ų | 118.4 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 147.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 547 | E | 51.5 | Low | 51.1 | Low | 181 Ų | 181 | 124.4 Ų | 124.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 132.2 | 178.1 | -66.2 | -165.1 | 123.8 | 0 | 0 | 112.5 | ||
| 548 | P | 64.8 | Low | 50.5 | Low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145 | 168.6 | -22.2 | 34.7 | 0 | 0 | 0 | 113.1 | ||
| 549 | G | 45.2 | Very low | 49.6 | Very low | 80 Ų | 80 | 125.7 Ų | 125.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 159.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 550 | K | 54.8 | Low | 49.1 | Very low | 197 Ų | 197 | 125.6 Ų | 125.6 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -113.4 | 130.6 | -179.6 | -59.5 | 172.7 | -172.5 | 169.7 | 0 | 109.7 | ||||
| 551 | E | 41.7 | Very low | 48.2 | Very low | 203 Ų | 203 | 125.6 Ų | 125.6 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | -118.8 | 152.4 | 177.6 | -162 | 161.5 | -144.7 | 0 | 0 | 111 | ||||
| 552 | G | 39.3 | Very low | 47.2 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -108.9 | 171.3 | -154.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 553 | P | 54.6 | Low | 46.3 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -106.6 | 126.6 | -169 | 37.3 | -30.6 | 0 | 0 | 0 | 116.2 | ||||
| 554 | P | 45.1 | Very low | 45.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -127.8 | 161 | 149.9 | 36.7 | -24.9 | 0 | 0 | 0 | 111.3 | ||||
| 555 | G | 40.6 | Very low | 44.8 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | cis | -169.3 | 175.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 556 | L | 39.5 | Very low | 44.5 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -94.5 | 140.4 | -166 | -69.6 | 164.7 | 0 | 0 | 0 | 115.8 | ||||
| 557 | R | 38 | Very low | 44.7 | Very low | 228 Ų | 228 | 136 Ų | 136 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 50.6 | 141.3 | 139.1 | -164 | 178.8 | -172.8 | 166.7 | 4.5 | 120.2 | D559 | R557-D559 IonicContact NE-OD2 2.9Å; R557-D559 PolarHBondContact NE-OD2 2.88Å; R557-D559 IonicContact NH2-OD2 3.3Å | ||
| 558 | G | 42.5 | Very low | 43.9 | Very low | 62 Ų | 62 | 135.9 Ų | 135.9 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | cis | 161.2 | -179.2 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 559 | D | 33 | Very low | 43.1 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 83% | 0.832 | S | S | * | * | trans | 71 | 169.1 | 164.6 | -49.4 | -50.1 | 0 | 0 | 0 | 116.1 | R557 | R557-D559 IonicContact NE-OD2 2.9Å; R557-D559 PolarHBondContact NE-OD2 2.88Å; R557-D559 IonicContact NH2-OD2 3.3Å | ||
| 560 | P | 53 | Low | 43.6 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | -141.6 | 164.1 | -104.5 | 35.9 | -13.4 | 0 | 0 | 0 | 120.2 | |||||
| 561 | G | 40.3 | Very low | 43.3 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | 122.6 | 158.3 | 134 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 562 | S | 35.3 | Very low | 43.6 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | 84.4 | 161.8 | 162.9 | 78.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 563 | H | 43.6 | Very low | 44.5 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -111.7 | 159 | -167 | -75.4 | -16.8 | 0 | 0 | 0 | 114.3 | ||||
| 564 | G | 39.4 | Very low | 44.2 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -142.9 | 165.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 565 | R | 38.6 | Very low | 44.9 | Very low | 259 Ų | 259 | 134 Ų | 134 | 98% | 0.977 | 83% | 0.827 | S | S | * | * | trans | -104.5 | 171.2 | -169.1 | -91.6 | -174.5 | 173.3 | -174.9 | -1.1 | 115.4 | ||||
| 566 | V | 48.6 | Very low | 45.5 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 95% | 0.952 | 83% | 0.834 | S | S | * | * | trans | -81.2 | 148 | -179.7 | 174.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 567 | G | 49.2 | Very low | 45.5 | Very low | 60 Ų | 60 | 130.1 Ų | 130.1 | 62% | 0.619 | 83% | 0.829 | S | S | * | * | trans | 151 | 142.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 568 | D | 35.4 | Very low | 46.6 | Very low | 177 Ų | 177 | 126 Ų | 126 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | cis | -149.9 | -168.3 | 4.9 | -104.5 | -52.7 | 0 | 0 | 0 | 112.1 | ||||
| 569 | R | 48.3 | Very low | 46.9 | Very low | 243 Ų | 243 | 126.4 Ų | 126.4 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | -123.7 | 136.9 | -161.1 | 172.8 | -171.1 | 175.1 | -171.4 | 0.1 | 116.7 | ||||
| 570 | G | 54.5 | Low | 47.3 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 85% | 0.846 | S | S | * | * | trans | 91.1 | 157.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 571 | P | 48.3 | Very low | 46.8 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 90% | 0.896 | 84% | 0.842 | S | S | * | * | cis | -128.5 | -160.7 | 40.5 | 40.5 | -24.7 | 0 | 0 | 0 | 115.4 | ||||
| 572 | A | 49.6 | Very low | 47 | Very low | 105 Ų | 105 | 129 Ų | 129 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | trans | -114.5 | 173 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 573 | G | 57 | Low | 47.1 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -133.8 | -166.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 574 | P | 48.7 | Very low | 47.5 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -116.9 | 171.3 | -174.5 | 39.8 | -28.6 | 0 | 0 | 0 | 116.1 | ||||
| 575 | P | 59.3 | Low | 47.8 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -132.9 | 162.1 | -162.6 | 41.3 | -25 | 0 | 0 | 0 | 119.2 | ||||
| 576 | G | 53 | Low | 47.9 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | 107.8 | 135.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 577 | G | 40.7 | Very low | 47.7 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | 157.7 | 120.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 578 | P | 61.1 | Low | 47.3 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | trans | -124.2 | 160.2 | -173.8 | 41 | -30.1 | 0 | 0 | 0 | 118 | ||||
| 579 | G | 48.7 | Very low | 47.2 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | 147.6 | 160.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 580 | D | 41.4 | Very low | 47 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | cis | -156.4 | -148.6 | -15.6 | -158.4 | -101.7 | 0 | 0 | 0 | 111.4 | ||||
| 581 | K | 41.7 | Very low | 46.9 | Very low | 167 Ų | 167 | 115 Ų | 115 | 73% | 0.726 | 78% | 0.776 | S | S | * | * | trans | -120.3 | 143.9 | -153.1 | -175.9 | -175.5 | 173.3 | -159.1 | 0 | 118.6 | D583 | K581-D583 WeakPolarHBondContact CE-OD1 3.3Å; K581-D583 VanDerWaalsContact CE-OD2 3.3Å; K581-D583 WeakPolarHBondContact CE-OD2 3.14Å; K581-D583 IonicContact NZ-OD1 2.67Å; K581-D583 IonicContact NZ-OD2 2.66Å | ||
| 582 | G | 43.9 | Very low | 46.8 | Very low | 40 Ų | 40 | 113.7 Ų | 113.7 | 41% | 0.412 | 77% | 0.768 | S | S | . | * | trans | 140.3 | 161.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | R614 | G582-R614 PolarHBondContact O-NH1 3.04Å; G582-R614 VanDerWaalsContact O-NH1 3.11Å | ||
| 583 | D | 37.8 | Very low | 46.8 | Very low | 93 Ų | 93 | 116.4 Ų | 116.4 | 50% | 0.497 | 77% | 0.768 | S | S | . | * | cis | -168.1 | -175.4 | -23.4 | -105.1 | -40.3 | 0 | 0 | 0 | 107.1 | K581 R614 | K581-D583 WeakPolarHBondContact CE-OD1 3.3Å; K581-D583 VanDerWaalsContact CE-OD2 3.3Å; K581-D583 WeakPolarHBondContact CE-OD2 3.14Å; K581-D583 IonicContact NZ-OD1 2.67Å; K581-D583 IonicContact NZ-OD2 2.66Å; D583-R614 WeakPolarHBondContact O-CB 3.47Å; D583-R614 VanDerWaalsContact O-O 3.1Å | ||
| 584 | P | 51.9 | Low | 46.2 | Very low | 97 Ų | 97 | 116 Ų | 116 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | trans | -84 | 172.6 | -158.1 | -15.8 | 32.4 | 0 | 0 | 0 | 120.2 | Q613 R614 | P584-Q613 CarbonylContact O-C 3.53Å; P584-R614 CarbonylContact C-O 3.51Å; P584-R614 WeakPolarHBondContact CA-O 3.39Å; P584-R614 PolarHBondContact O-N 3.34Å | ||
| 585 | G | 45.8 | Very low | 46.3 | Very low | 39 Ų | 39 | 116 Ų | 116 | 40% | 0.402 | 76% | 0.764 | S | S | . | * | trans | -144.9 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | R614 | G585-R614 VanDerWaalsContact CA-N 3.31Å; G585-R614 PolarHBondContact N-O 3.19Å | ||
| 586 | E | 40.8 | Very low | 45.9 | Very low | 206 Ų | 206 | 115.8 Ų | 115.8 | 96% | 0.963 | 76% | 0.762 | S | S | * | * | trans | -114.3 | 154.6 | -176.8 | -65.1 | -179.7 | 107.6 | 0 | 0 | 113.1 | ||||
| 587 | D | 43.9 | Very low | 45.7 | Very low | 177 Ų | 177 | 115 Ų | 115 | 95% | 0.947 | 75% | 0.754 | S | S | * | * | trans | -96.3 | 153.7 | 177.4 | -100 | -43.4 | 0 | 0 | 0 | 112.9 | ||||
| 588 | G | 40.6 | Very low | 46.6 | Very low | 69 Ų | 69 | 117.9 Ų | 117.9 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -166.5 | 99.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 589 | Q | 34.3 | Very low | 45.3 | Very low | 191 Ų | 191 | 116.1 Ų | 116.1 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | 52.9 | 106.3 | 156.5 | -60.1 | -176 | 1.6 | 0 | 0 | 119.7 | ||||
| 590 | P | 44.3 | Very low | 45 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -83.6 | 133.6 | 158.8 | -6.8 | 25.5 | 0 | 0 | 0 | 112.1 | ||||
| 591 | G | 51.9 | Low | 45.2 | Very low | 70 Ų | 70 | 114.8 Ų | 114.8 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 134.7 | 105.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 592 | P | 47.1 | Very low | 45 | Very low | 111 Ų | 111 | 113.5 Ų | 113.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | -142.5 | 147.6 | 87.6 | 36.2 | -20.8 | 0 | 0 | 0 | 116.1 | |||||
| 593 | D | 49.3 | Very low | 44.8 | Very low | 163 Ų | 163 | 114.9 Ų | 114.9 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | 47.6 | 147.9 | 123.9 | -44.4 | -29.5 | 0 | 0 | 0 | 123.4 | |||||
| 594 | G | 44.8 | Very low | 44.8 | Very low | 65 Ų | 65 | 119.4 Ų | 119.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -128.9 | 152.3 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 595 | P | 51 | Low | 44 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | -138.9 | -155.8 | 71.9 | 47.8 | -32.3 | 0 | 0 | 0 | 111.1 | |||||
| 596 | P | 50.6 | Low | 43.8 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -129 | 167.1 | -115.2 | 28.5 | -4.3 | 0 | 0 | 0 | 116.5 | |||||
| 597 | G | 47 | Very low | 43.8 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 100.6 | 146.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 598 | P | 60.4 | Low | 43.5 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | -91.9 | 147.7 | -169 | 35.4 | -35.5 | 0 | 0 | 0 | 114.4 | ||||
| 599 | A | 34.3 | Very low | 43.4 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -137.7 | 164.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 600 | G | 41.7 | Very low | 43.6 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -74.1 | -179 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 601 | T | 45.1 | Very low | 44.1 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -95.6 | 174 | -161.1 | 52.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 602 | T | 38.9 | Very low | 43.6 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | 90.5 | 135.5 | 159.9 | -25.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 603 | G | 39.9 | Very low | 43.3 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | -144.5 | -164 | 11.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 604 | Q | 36.7 | Very low | 42.7 | Very low | 187 Ų | 187 | 124.1 Ų | 124.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -106.7 | 167.3 | -155.8 | -58.6 | 172.3 | -24 | 0 | 0 | 116.6 | ||||
| 605 | R | 35.9 | Very low | 42.9 | Very low | 240 Ų | 240 | 123.4 Ų | 123.4 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 120.7 | 131.2 | 135.9 | -166.7 | -175.7 | -61.6 | -173 | 0.7 | 114.7 | ||||
| 606 | G | 42.3 | Very low | 42.3 | Very low | 58 Ų | 58 | 124.6 Ų | 124.6 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | cis | -172.2 | 139.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 607 | I | 39.6 | Very low | 41.5 | Very low | 166 Ų | 166 | 129 Ų | 129 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | 78.2 | 141.4 | 97.5 | -54.5 | 167.8 | 0 | 0 | 0 | 115.4 | |||||
| 608 | V | 36.9 | Very low | 41.1 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | trans | 92.8 | 116.6 | 176 | -169.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 609 | G | 38.8 | Very low | 39.9 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -166.2 | 173.6 | -0.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 610 | M | 39.8 | Very low | 40.2 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | -145.8 | 163.3 | -176.4 | -86.8 | -164.9 | 85.6 | 0 | 0 | 108.5 | ||||
| 611 | P | 54 | Low | 40.3 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | cis | -138.3 | -176.9 | 45.5 | 34.8 | -12.1 | 0 | 0 | 0 | 115.4 | ||||
| 612 | G | 42.3 | Very low | 40 | Very low | 65 Ų | 65 | 134 Ų | 134 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 146.4 | 172.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 613 | Q | 40.3 | Very low | 40.4 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | cis | 176.2 | 135 | -10.4 | 175.7 | -151.4 | 107.5 | 0 | 0 | 109.9 | P584 | P584-Q613 CarbonylContact O-C 3.53Š| ||
| 614 | R | 36.7 | Very low | 40.8 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | 130.6 | 115.5 | 151 | 174.6 | -168.9 | -76.6 | 170.4 | -9.8 | 119.5 | G582 D583 P584 G585 | G582-R614 PolarHBondContact O-NH1 3.04Å; G582-R614 VanDerWaalsContact O-NH1 3.11Å; D583-R614 WeakPolarHBondContact O-CB 3.47Å; D583-R614 VanDerWaalsContact O-O 3.1Å; P584-R614 CarbonylContact C-O 3.51Å; P584-R614 WeakPolarHBondContact CA-O 3.39Å; P584-R614 PolarHBondContact O-N 3.34Å; G585-R614 VanDerWaalsContact CA-N 3.31Å; G585-R614 PolarHBondContact N-O 3.19Å | ||
| 615 | G | 48.5 | Very low | 41.2 | Very low | 50 Ų | 50 | 130.4 Ų | 130.4 | 52% | 0.515 | 77% | 0.77 | S | S | . | * | trans | 68.8 | 162.8 | 147 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 616 | E | 37.8 | Very low | 41.4 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 71% | 0.71 | 77% | 0.77 | S | S | * | * | cis | -152.5 | 147 | -1.1 | -114 | -152.9 | -167.9 | 0 | 0 | 112.4 | ||||
| 617 | R | 34.7 | Very low | 41.4 | Very low | 220 Ų | 220 | 125 Ų | 125 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | 65.5 | 119.6 | 141.1 | -168.4 | -162.2 | -50.7 | -152.3 | 2.2 | 121.7 | ||||
| 618 | G | 39 | Very low | 41.4 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 133.5 | 131.6 | 134.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 619 | M | 35.5 | Very low | 41.8 | Very low | 194 Ų | 194 | 123.3 Ų | 123.3 | 96% | 0.956 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 129.3 | 176.3 | -63.7 | 176.1 | -179.3 | 0 | 0 | 112.1 | G621 | M619-G621 PolarHBondContact O-N 3.11Š|
| 620 | P | 40.7 | Very low | 41.9 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.8 | 167.3 | -19.3 | 33.6 | 0 | 0 | 0 | 111.9 | ||
| 621 | G | 44 | Very low | 42 | Very low | 71 Ų | 71 | 125.3 Ų | 125.3 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 172.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | M619 | M619-G621 PolarHBondContact O-N 3.11Š|
| 622 | L | 38.8 | Very low | 41.2 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 145.4 | -177.7 | -73.1 | 163.2 | 0 | 0 | 0 | 112.9 | G624 | L622-G624 PolarHBondContact O-N 2.98Š|
| 623 | P | 47.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.7 | -177 | -25.8 | 35.1 | 0 | 0 | 0 | 114.2 | ||
| 624 | G | 47.1 | Very low | 42.1 | Very low | 65 Ų | 65 | 124.8 Ų | 124.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 159.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L622 | L622-G624 PolarHBondContact O-N 2.98Š|
| 625 | P | 45.5 | Very low | 42.1 | Very low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 150.8 | 179.7 | 29.9 | -35.6 | 0 | 0 | 0 | 112.7 | G627 | P625-G627 PolarHBondContact O-N 3.26Š|
| 626 | A | 39.9 | Very low | 41.7 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 131.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 627 | G | 42.1 | Very low | 41.8 | Very low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 169 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P625 | P625-G627 PolarHBondContact O-N 3.26Š|
| 628 | T | 40.5 | Very low | 42.1 | Very low | 141 Ų | 141 | 118 Ų | 118 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 138.6 | 172.8 | 44.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 629 | P | 45.5 | Very low | 42.5 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.4 | -174.4 | -22.7 | 34.8 | 0 | 0 | 0 | 115.6 | ||
| 630 | G | 40.7 | Very low | 42.6 | Very low | 75 Ų | 75 | 116.5 Ų | 116.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 68.6 | 102 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 631 | K | 40.7 | Very low | 42.4 | Very low | 210 Ų | 210 | 119.5 Ų | 119.5 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -102.4 | 141.6 | 149.3 | -74.5 | -169.2 | 175.3 | -175.2 | 0 | 109.9 | ||||
| 632 | V | 38.4 | Very low | 42.4 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 92% | 0.915 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 154.7 | -176.8 | 177.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 633 | G | 39.6 | Very low | 43.4 | Very low | 61 Ų | 61 | 117.3 Ų | 117.3 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | -66.4 | 174.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 634 | P | 61.2 | Low | 43 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -87.3 | 171.8 | -163.4 | 36.4 | -38.3 | 0 | 0 | 0 | 114 | ||||
| 635 | T | 36.9 | Very low | 42.8 | Very low | 145 Ų | 145 | 117.4 Ų | 117.4 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -126.2 | 130.3 | 151.4 | -56 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 636 | G | 40.2 | Very low | 43.7 | Very low | 67 Ų | 67 | 117.4 Ų | 117.4 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -84.4 | -162.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 637 | A | 39 | Very low | 43.5 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | cis | -157.1 | -176.7 | 0.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 638 | T | 41 | Very low | 43.8 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | 56.9 | 119 | 173.3 | 38.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 639 | G | 47 | Very low | 45 | Very low | 66 Ų | 66 | 118 Ų | 118 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | cis | 78.3 | 104.3 | 11.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 640 | D | 38.3 | Very low | 45 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | -159.5 | 155.1 | 123.5 | -132.1 | -29.8 | 0 | 0 | 0 | 114.4 | |||||
| 641 | K | 37.3 | Very low | 45.6 | Very low | 194 Ų | 194 | 117.9 Ų | 117.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | 62.4 | 107.2 | 153 | -152.1 | 169.7 | -165.2 | 170.4 | 0 | 122.3 | ||||
| 642 | G | 43.6 | Very low | 45.2 | Very low | 56 Ų | 56 | 113.6 Ų | 113.6 | 58% | 0.577 | 79% | 0.791 | S | S | * | * | 77.3 | 103.8 | 127.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | P644 | G642-P644 VanDerWaalsContact O-CD 3.27Å; G642-P644 WeakPolarHBondContact O-CD 3.45Å | |||
| 643 | P | 58.9 | Low | 45.1 | Very low | 138 Ų | 138 | 114.3 Ų | 114.3 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -80.9 | 127.7 | -176.6 | 31.9 | -34.2 | 0 | 0 | 0 | 113.8 | ||||
| 644 | P | 40.4 | Very low | 45.8 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -127.4 | 156.7 | 171.6 | 25.4 | -3.3 | 0 | 0 | 0 | 114.5 | G642 | G642-P644 VanDerWaalsContact O-CD 3.27Å; G642-P644 WeakPolarHBondContact O-CD 3.45Å | ||
| 645 | G | 42.7 | Very low | 45.6 | Very low | 72 Ų | 72 | 114.5 Ų | 114.5 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 51 | 104.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 646 | P | 64 | Low | 45.5 | Very low | 130 Ų | 130 | 114.4 Ų | 114.4 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 138.7 | 169.8 | 32.4 | -34.2 | 0 | 0 | 0 | 112.4 | ||||
| 647 | V | 35 | Very low | 46 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -168.1 | 155.7 | 153 | 131.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 648 | G | 47.8 | Very low | 46.5 | Very low | 61 Ų | 61 | 119.2 Ų | 119.2 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | trans | -108.1 | -122.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 649 | P | 65.9 | Low | 46.6 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -124.8 | 149.5 | -111.9 | 38 | -26.5 | 0 | 0 | 0 | 115.7 | |||||
| 650 | P | 46.8 | Very low | 46.8 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | -145.9 | -178.9 | 114 | 35.5 | -18.2 | 0 | 0 | 0 | 112.6 | |||||
| 651 | G | 53.5 | Low | 47.2 | Very low | 75 Ų | 75 | 116.8 Ų | 116.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | 125.2 | 114.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 652 | S | 31.7 | Very low | 47.3 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -161.6 | 158.3 | 173.9 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 653 | N | 36.1 | Very low | 47.8 | Very low | 166 Ų | 166 | 117.7 Ų | 117.7 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -107.8 | 175.7 | -161 | -63 | -30.8 | 0 | 0 | 0 | 116.7 | ||||
| 654 | G | 54.3 | Low | 47.4 | Very low | 66 Ų | 66 | 117.2 Ų | 117.2 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -76.2 | -152.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 655 | P | 57.8 | Low | 47.3 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | cis | -103.7 | -139.8 | 24.7 | 5.9 | 19.4 | 0 | 0 | 0 | 114.3 | ||||
| 656 | V | 34.9 | Very low | 47.4 | Very low | 143 Ų | 143 | 116.6 Ų | 116.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | cis | -155.8 | -179.3 | 14.6 | -148 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 657 | G | 50.1 | Low | 46.1 | Very low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | -169.1 | -165.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 658 | E | 48.4 | Very low | 46.1 | Very low | 192 Ų | 192 | 118.1 Ų | 118.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 68.2 | 161.1 | 178 | -65.6 | -156.4 | 140.5 | 0 | 0 | 119.1 | ||||
| 659 | P | 43.3 | Very low | 45.7 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | cis | -125.3 | -167.5 | -11.7 | 29 | -6.4 | 0 | 0 | 0 | 113.6 | ||||
| 660 | G | 52.5 | Low | 44.3 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -140.4 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 661 | P | 47.2 | Very low | 44.3 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -149.4 | 154.1 | 160.2 | 39.8 | -22.5 | 0 | 0 | 0 | 118.8 | ||||
| 662 | E | 38.3 | Very low | 43.9 | Very low | 204 Ų | 204 | 118.6 Ų | 118.6 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | trans | 60.5 | 158 | 143.4 | -147.5 | 159.9 | -135 | 0 | 0 | 123.1 | ||||
| 663 | G | 54 | Low | 44.1 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | -175.7 | 161.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 664 | P | 50 | Low | 44 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | trans | -137.8 | 149.9 | -176.6 | 39.8 | -21.9 | 0 | 0 | 0 | 119.8 | ||||
| 665 | A | 39.9 | Very low | 43.8 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | 47.7 | 131.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 666 | G | 43.1 | Very low | 42.6 | Very low | 73 Ų | 73 | 121.4 Ų | 121.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | 124.7 | 82.5 | 112.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 667 | N | 37.8 | Very low | 42.7 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 47.8 | 159.9 | 136.2 | -78.5 | 30.6 | 0 | 0 | 0 | 128 | ||||
| 668 | D | 34.1 | Very low | 42.3 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 79.2 | 158.1 | 158.3 | -62.3 | -8.6 | 0 | 0 | 0 | 121.6 | ||||
| 669 | G | 40.1 | Very low | 41.5 | Very low | 62 Ų | 62 | 120.7 Ų | 120.7 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -167.6 | -134.4 | -165 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 670 | T | 35.4 | Very low | 41.3 | Very low | 144 Ų | 144 | 125 Ų | 125 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | 72.1 | 171.7 | -167.8 | 81 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 671 | P | 47 | Very low | 40.8 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | -123.4 | -173 | -14.4 | 29.5 | -7.8 | 0 | 0 | 0 | 113 | ||||
| 672 | G | 46.8 | Very low | 40.4 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -146.6 | -177.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 673 | R | 35.1 | Very low | 40.5 | Very low | 225 Ų | 225 | 128.5 Ų | 128.5 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | trans | -168.5 | 150.1 | 166.5 | -114.5 | -169 | 152 | 165.8 | -1.6 | 117.1 | ||||
| 674 | D | 34.6 | Very low | 39.7 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | trans | 43.1 | 119.8 | 146 | -51.9 | -14.7 | 0 | 0 | 0 | 121.3 | ||||
| 675 | G | 49.8 | Very low | 39.5 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -114.2 | -167.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 676 | A | 32.4 | Very low | 39.7 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -152.4 | 125.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 677 | V | 37.8 | Very low | 39.5 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | 40.8 | 113.9 | 141.1 | -170.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 678 | G | 40.6 | Very low | 40.7 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 86.8 | 136.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 679 | E | 32.6 | Very low | 40.9 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | cis | -137.9 | 155 | 0.2 | -104 | -152.8 | 91.8 | 0 | 0 | 111 | ||||
| 680 | R | 37.2 | Very low | 40.8 | Very low | 216 Ų | 216 | 127.2 Ų | 127.2 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | 43.5 | 83.7 | 150.4 | -163 | -178.1 | -49.2 | -148.5 | 1 | 117.2 | ||||
| 681 | G | 43.5 | Very low | 41.5 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | trans | -64.4 | 142 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 682 | D | 38.7 | Very low | 41.6 | Very low | 166 Ų | 166 | 129 Ų | 129 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | 44.6 | 121.2 | 118 | -47.3 | -41 | 0 | 0 | 0 | 119.1 | |||||
| 683 | R | 40.4 | Very low | 41.2 | Very low | 247 Ų | 247 | 129.5 Ų | 129.5 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -109.2 | 104.2 | 150.7 | -173.5 | 176.9 | -170.7 | 154.1 | 5.6 | 108.7 | ||||
| 684 | G | 37.3 | Very low | 42 | Very low | 64 Ų | 64 | 124.5 Ų | 124.5 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | trans | -119.8 | 137.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 685 | D | 44.7 | Very low | 42.5 | Very low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -65 | 147.5 | 161.1 | -43.1 | -89 | 0 | 0 | 0 | 108.8 | ||||
| 686 | P | 44.6 | Very low | 41.9 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | -140.5 | -157.5 | 60 | 42.2 | -22.5 | 0 | 0 | 0 | 111.4 | |||||
| 687 | G | 38.3 | Very low | 42.7 | Very low | 64 Ų | 64 | 127.8 Ų | 127.8 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | cis | -177.2 | 179.7 | 8.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 688 | P | 64.1 | Low | 43 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -99.4 | 125.9 | -157.3 | 34.7 | -33.8 | 0 | 0 | 0 | 117.6 | ||||
| 689 | A | 36.8 | Very low | 43.1 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -160.7 | 159.7 | 154 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 690 | G | 39.9 | Very low | 43.4 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | cis | -173.6 | -175.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 691 | L | 49.3 | Very low | 43.8 | Very low | 176 Ų | 176 | 121.5 Ų | 121.5 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -132.4 | 149.9 | 173 | -63 | 174.1 | 0 | 0 | 0 | 109.5 | ||||
| 692 | P | 48.4 | Very low | 43.8 | Very low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | cis | -132.6 | 168.7 | 14.4 | 42 | -26.6 | 0 | 0 | 0 | 116.1 | ||||
| 693 | G | 39.8 | Very low | 44.4 | Very low | 81 Ų | 81 | 120.4 Ų | 120.4 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 163 | 156 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 694 | S | 50.9 | Low | 44.4 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -138.1 | 143.4 | -173.4 | 62.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 695 | Q | 44.6 | Very low | 45.4 | Very low | 202 Ų | 202 | 116.3 Ų | 116.3 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | trans | 92.3 | 120.5 | 158.8 | -163.9 | 177.3 | -2.1 | 0 | 0 | 118.9 | ||||
| 696 | G | 38.2 | Very low | 45.1 | Very low | 74 Ų | 74 | 113.7 Ų | 113.7 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | 164.4 | 136.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 697 | A | 49.6 | Very low | 45.6 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -139 | 117.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 698 | P | 43.8 | Very low | 46.1 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -87.1 | 177.4 | 156.6 | 36.9 | -32.3 | 0 | 0 | 0 | 110.5 | ||||
| 699 | G | 41.9 | Very low | 45 | Very low | 70 Ų | 70 | 115.6 Ų | 115.6 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | cis | 169.8 | -171.2 | -1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 700 | T | 38.6 | Very low | 45.2 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 83% | 0.828 | 82% | 0.824 | S | S | * | * | trans | -138.6 | 152.1 | 179.6 | 53 | 0 | 0 | 0 | 0 | 113 | ||||
| 701 | P | 46 | Very low | 45.3 | Very low | 132 Ų | 132 | 115.7 Ų | 115.7 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | -61.5 | 153.8 | 170.7 | -21.7 | 33.9 | 0 | 0 | 0 | 113.5 | ||||
| 702 | G | 43.5 | Very low | 45.6 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -108.1 | 165.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 703 | P | 52.1 | Low | 45.3 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -96.3 | 171.5 | -177.3 | 38.8 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 704 | V | 40.8 | Very low | 45.6 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 92% | 0.915 | 81% | 0.812 | S | S | * | * | trans | -113.6 | 147.2 | 163.8 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 705 | G | 57.7 | Low | 45.8 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -159.1 | -179.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 706 | A | 38.5 | Very low | 45.7 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -164.3 | 177.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 707 | P | 54 | Low | 45.7 | Very low | 136 Ų | 136 | 118 Ų | 118 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | -115.3 | -175.6 | -78.3 | 37 | -23.6 | 0 | 0 | 0 | 111.7 | |||||
| 708 | G | 50 | Low | 46.4 | Very low | 69 Ų | 69 | 119.1 Ų | 119.1 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -151.5 | -179.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 709 | D | 41.6 | Very low | 46.2 | Very low | 172 Ų | 172 | 124.9 Ų | 124.9 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | -159.9 | 176.2 | 170.9 | -128.5 | -41 | 0 | 0 | 0 | 114.5 | ||||
| 710 | A | 39.8 | Very low | 46.3 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -72.3 | 171.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 711 | G | 42.5 | Very low | 46.9 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | cis | -171.2 | -167.5 | 9.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 712 | Q | 55 | Low | 46.6 | Very low | 170 Ų | 170 | 126.5 Ų | 126.5 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -73.3 | 148.5 | -170.4 | -55.7 | 174.8 | -0.6 | 0 | 0 | 113.6 | ||||
| 713 | R | 43 | Very low | 46.7 | Very low | 224 Ų | 224 | 126 Ų | 126 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | 179.4 | 163.4 | 56.3 | -178.1 | 172.7 | -63.9 | 156.4 | 5.6 | 108.7 | |||||
| 714 | G | 46.3 | Very low | 47 | Very low | 58 Ų | 58 | 126.2 Ų | 126.2 | 60% | 0.598 | 82% | 0.817 | S | S | * | * | cis | 175.8 | -164.9 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 715 | D | 53.8 | Low | 47.2 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -95.9 | 144 | -152.9 | -44 | -91 | 0 | 0 | 0 | 118.2 | ||||
| 716 | P | 42.1 | Very low | 46.7 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | -143.2 | 164.3 | 106.3 | 39.1 | -26.7 | 0 | 0 | 0 | 113.5 | |||||
| 717 | G | 39.5 | Very low | 47.6 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | cis | -179 | 153 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 718 | S | 63.6 | Low | 46.8 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -87.2 | 151.3 | -164.1 | 59.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 719 | R | 39 | Very low | 46.8 | Very low | 253 Ų | 253 | 132 Ų | 132 | 96% | 0.955 | 83% | 0.827 | S | S | * | * | trans | -126.6 | 135.7 | 162.9 | -167.7 | 170.1 | -176.8 | 164 | 1.3 | 111.3 | ||||
| 720 | G | 45.6 | Very low | 47.5 | Very low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 83% | 0.829 | S | S | * | * | trans | -93 | -175.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 721 | P | 51.5 | Low | 47.5 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | -83.3 | 158.8 | -167.6 | 34 | -37.2 | 0 | 0 | 0 | 114.9 | ||||
| 722 | I | 38.9 | Very low | 47.7 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | trans | -124.3 | 146.1 | 166.6 | -70.5 | 179.3 | 0 | 0 | 0 | 108.4 | ||||
| 723 | G | 45.5 | Very low | 47.4 | Very low | 60 Ų | 60 | 141.3 Ų | 141.3 | 62% | 0.619 | 84% | 0.835 | S | S | * | * | trans | -82.4 | 177.9 | -157.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 724 | P | 58 | Low | 47.4 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 88% | 0.877 | 83% | 0.834 | S | S | * | * | trans | -96.4 | 133.9 | -166.2 | 35.5 | -34.4 | 0 | 0 | 0 | 115.9 | ||||
| 725 | P | 46.3 | Very low | 47.4 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -125.9 | 149.5 | 150.8 | 36.9 | -26 | 0 | 0 | 0 | 111.2 | ||||
| 726 | G | 46.3 | Very low | 47.1 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | cis | -170.7 | 163.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 727 | R | 56.6 | Low | 47.1 | Very low | 261 Ų | 261 | 139 Ų | 139 | 99% | 0.985 | 84% | 0.844 | S | S | * | * | trans | -107.8 | 117.2 | -161.7 | -153.1 | -174.9 | -162.3 | -165.7 | 8.2 | 115.3 | ||||
| 728 | A | 38.3 | Very low | 47.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | -162.6 | 156.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 729 | G | 49.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | cis | -170.3 | 155.9 | -6.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 730 | K | 55.9 | Low | 46.6 | Very low | 223 Ų | 223 | 138.3 Ų | 138.3 | 97% | 0.97 | 84% | 0.835 | S | S | * | * | trans | -86.9 | 144.8 | -167 | -70.1 | -171.9 | 178.5 | -175.7 | 0 | 115.8 | ||||
| 731 | R | 39.7 | Very low | 46.4 | Very low | 251 Ų | 251 | 138.7 Ų | 138.7 | 95% | 0.947 | 84% | 0.838 | S | S | * | * | trans | -164.3 | 149.4 | 160.4 | -167.5 | 175.5 | -63 | 176.6 | 1.7 | 107.1 | ||||
| 732 | G | 48.4 | Very low | 46 | Very low | 62 Ų | 62 | 140.4 Ų | 140.4 | 64% | 0.639 | 84% | 0.84 | S | S | * | * | cis | -169.2 | -166.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 733 | L | 48.4 | Very low | 45.8 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 91% | 0.911 | 84% | 0.841 | S | S | * | * | trans | -136.9 | 131.4 | 177.5 | -76 | 172.4 | 0 | 0 | 0 | 112.7 | ||||
| 734 | P | 42.2 | Very low | 45.5 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 83% | 0.831 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 156.3 | 162.4 | -13.1 | 30.4 | 0 | 0 | 0 | 112.5 | ||
| 735 | G | 46.1 | Very low | 45 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -99 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 736 | P | 47.1 | Very low | 44.6 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 155.5 | -175.7 | 33.7 | -36.1 | 0 | 0 | 0 | 113.9 | ||
| 737 | Q | 42.7 | Very low | 44.2 | Very low | 195 Ų | 195 | 146.8 Ų | 146.8 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | trans | -107.9 | 138.8 | 174.2 | -175.5 | 172.6 | -4.5 | 0 | 0 | 110.2 | ||||
| 738 | G | 45.5 | Very low | 43.9 | Very low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 84% | 0.843 | S | S | * | * | trans | -80.9 | 158 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 739 | P | 44.7 | Very low | 43.9 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -76.1 | 155.7 | 180 | 32.4 | -35.8 | 0 | 0 | 0 | 112.9 | ||||
| 740 | R | 42.5 | Very low | 43.6 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 85% | 0.846 | S | S | * | * | trans | -116.2 | 126.7 | 170.3 | 179.9 | 177.5 | 178.9 | 172.3 | -0.6 | 107.6 | ||||
| 741 | G | 41.3 | Very low | 43.3 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 84% | 0.844 | S | S | * | * | trans | -78.5 | 161.4 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 742 | D | 41.3 | Very low | 43.2 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | trans | -81.6 | 167.9 | -176.7 | -49.3 | -80 | 0 | 0 | 0 | 113.7 | ||||
| 743 | K | 35.4 | Very low | 42.8 | Very low | 210 Ų | 210 | 147.6 Ų | 147.6 | 91% | 0.913 | 85% | 0.852 | S | S | * | * | trans | -148.9 | 103.8 | 172.5 | -168.6 | -163.6 | 176.2 | -167.8 | 0 | 114.2 | ||||
| 744 | G | 39 | Very low | 42.4 | Very low | 74 Ų | 74 | 148 Ų | 148 | 76% | 0.763 | 85% | 0.849 | S | S | * | * | trans | 87 | 94.2 | 132.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 745 | D | 47.8 | Very low | 42.4 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 83% | 0.829 | 85% | 0.852 | S | S | * | * | trans | -81.9 | 148.7 | 164.1 | -51.4 | -76.4 | 0 | 0 | 0 | 112.6 | ||||
| 746 | H | 37.7 | Very low | 42.1 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 93% | 0.931 | 85% | 0.851 | S | S | * | * | trans | -165.8 | 134.2 | 153.9 | -103.7 | 64.3 | 0 | 0 | 0 | 107.3 | ||||
| 747 | G | 38.3 | Very low | 42.2 | Very low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 85% | 0.845 | S | S | * | * | cis | -172 | 158.4 | -7.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 748 | D | 51.1 | Low | 42 | Very low | 171 Ų | 171 | 156 Ų | 156 | 91% | 0.914 | 85% | 0.848 | S | S | * | * | trans | -76.9 | 152.6 | -166.8 | -68.2 | -69.4 | 0 | 0 | 0 | 116.4 | ||||
| 749 | R | 37.6 | Very low | 41.7 | Very low | 251 Ų | 251 | 156 Ų | 156 | 95% | 0.947 | 85% | 0.847 | S | S | * | * | trans | -146.9 | 87.8 | 161.7 | -162.4 | 179 | -172.9 | 172.8 | 5.3 | 115.5 | ||||
| 750 | G | 42.6 | Very low | 41.2 | Very low | 76 Ų | 76 | 159.6 Ų | 159.6 | 78% | 0.784 | 85% | 0.849 | S | S | * | * | trans | 85.4 | 94.3 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 751 | D | 50.5 | Low | 41.1 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | trans | -67.5 | 155.7 | 170 | -91.5 | -58.3 | 0 | 0 | 0 | 115.1 | ||||
| 752 | R | 36.5 | Very low | 41 | Very low | 247 Ų | 247 | 154.9 Ų | 154.9 | 93% | 0.932 | 85% | 0.848 | S | S | * | * | trans | -149.2 | 92.6 | 165.4 | -157.9 | 179.4 | -162.8 | -177.6 | 7.4 | 115.7 | ||||
| 753 | G | 40.9 | Very low | 40.8 | Very low | 79 Ų | 79 | 155.2 Ų | 155.2 | 81% | 0.814 | 85% | 0.849 | S | S | * | * | trans | 83 | 105.7 | 146 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 754 | Q | 38.9 | Very low | 40.9 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | trans | -84 | 162.4 | 170.2 | -62.7 | -175.2 | 7.6 | 0 | 0 | 112.8 | ||||
| 755 | K | 43.8 | Very low | 40.8 | Very low | 207 Ų | 207 | 153.6 Ų | 153.6 | 90% | 0.9 | 84% | 0.841 | S | S | * | * | trans | -122.2 | 142 | 172.5 | -164.9 | 175.7 | -178.2 | -179.1 | 0 | 109.8 | ||||
| 756 | G | 38.4 | Very low | 40.4 | Very low | 71 Ų | 71 | 154.6 Ų | 154.6 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | trans | -70.7 | 174.9 | -157.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 757 | H | 49.8 | Very low | 40.8 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | trans | -110.5 | 152.7 | -160.6 | -38.8 | -97.9 | 0 | 0 | 0 | 115.6 | ||||
| 758 | R | 37.9 | Very low | 41 | Very low | 258 Ų | 258 | 150.4 Ų | 150.4 | 97% | 0.974 | 83% | 0.834 | S | S | * | * | -179.2 | 147.7 | 117 | -102.6 | 176.8 | 171.2 | 167.2 | -2.2 | 109.8 | |||||
| 759 | G | 39.8 | Very low | 41 | Very low | 62 Ų | 62 | 148.4 Ų | 148.4 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | cis | 159.6 | 157.8 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 760 | F | 34 | Very low | 41.4 | Very low | 217 Ų | 217 | 142.6 Ų | 142.6 | 95% | 0.952 | 83% | 0.825 | S | S | * | * | trans | -152.4 | 150.2 | 166.6 | -105.5 | -78.3 | 0 | 0 | 0 | 110.3 | ||||
| 761 | T | 40.1 | Very low | 41.5 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | trans | -117.3 | 142.4 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 762 | G | 40.6 | Very low | 41.6 | Very low | 73 Ų | 73 | 140.1 Ų | 140.1 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | 174.2 | -177.9 | -1.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 763 | L | 36.3 | Very low | 41.6 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -144.8 | 130 | 172.7 | -114.5 | 169.4 | 0 | 0 | 0 | 113.1 | ||||
| 764 | Q | 36.8 | Very low | 41.7 | Very low | 190 Ų | 190 | 136.1 Ų | 136.1 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -68.9 | 144.7 | 163.7 | 175.2 | -174.8 | 22.2 | 0 | 0 | 109.5 | ||||
| 765 | G | 36.8 | Very low | 42.2 | Very low | 61 Ų | 61 | 137.5 Ų | 137.5 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | cis | -180 | 152.4 | -7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 766 | L | 40.7 | Very low | 42 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 125.7 | -175 | -75.6 | 168.9 | 0 | 0 | 0 | 112.5 | ||
| 767 | P | 45.5 | Very low | 42.5 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 152.1 | 168.6 | -22 | 34.9 | 0 | 0 | 0 | 113 | ||
| 768 | G | 43.3 | Very low | 42.1 | Very low | 60 Ų | 60 | 134.9 Ų | 134.9 | 62% | 0.619 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 170.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P770 | G768-P770 WeakPolarHBondContact O-CD 3.31Š|
| 769 | P | 49.7 | Very low | 42.4 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.3 | -174.5 | 30.2 | -34.4 | 0 | 0 | 0 | 113.3 | ||
| 770 | P | 46.4 | Very low | 42.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76 | 139.9 | 171.6 | -17.1 | 33.3 | 0 | 0 | 0 | 112.9 | G768 | G768-P770 WeakPolarHBondContact O-CD 3.31Š|
| 771 | G | 44.8 | Very low | 43.4 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -73.2 | 177.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 772 | P | 53.2 | Low | 44 | Very low | 127 Ų | 127 | 125 Ų | 125 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -83.1 | 149.5 | -178.2 | 35.1 | -35.8 | 0 | 0 | 0 | 113.1 | ||||
| 773 | N | 36.3 | Very low | 44.1 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | trans | -173.3 | 141.7 | 158.7 | -100.9 | -21.5 | 0 | 0 | 0 | 107.3 | ||||
| 774 | G | 42.2 | Very low | 45.1 | Very low | 65 Ų | 65 | 122.2 Ų | 122.2 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | cis | -175.5 | 162.2 | -6.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q776 | G774-Q776 PolarHBondContact O-N 3.49Š| ||
| 775 | E | 50.1 | Low | 45.4 | Very low | 211 Ų | 211 | 122.9 Ų | 122.9 | 99% | 0.986 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 127.4 | 179.4 | -65.8 | -172.3 | 131.4 | 0 | 0 | 111.4 | ||||
| 776 | Q | 40.2 | Very low | 45.7 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -116.4 | 128.6 | 173.6 | -169.5 | 175 | -51.8 | 0 | 0 | 109.9 | G774 | G774-Q776 PolarHBondContact O-N 3.49Š| ||
| 777 | G | 48.5 | Very low | 46.6 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 179.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 778 | S | 40.7 | Very low | 46.4 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 134.6 | -175.7 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 779 | A | 44.5 | Very low | 46.6 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 780 | G | 50 | Low | 46.8 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 170.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 781 | I | 45.4 | Very low | 47 | Very low | 173 Ų | 173 | 127 Ų | 127 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 135.7 | -171.5 | -59.2 | 168.8 | 0 | 0 | 0 | 111.7 | ||
| 782 | P | 52.2 | Low | 47.2 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 157.1 | -176.9 | -20 | 33.6 | 0 | 0 | 0 | 116.6 | ||
| 783 | G | 42.3 | Very low | 47.2 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -124 | 166.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 784 | P | 57.1 | Low | 48.2 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -108.5 | 146.5 | -144.5 | 0.1 | 22.1 | 0 | 0 | 0 | 118.9 | ||||
| 785 | F | 44 | Very low | 48.7 | Very low | 204 Ų | 204 | 125.6 Ų | 125.6 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | 73.5 | 141.8 | 143.6 | -91.5 | -78 | 0 | 0 | 0 | 124.3 | ||||
| 786 | G | 42.4 | Very low | 48.8 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 165.3 | 94.1 | 160 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 787 | P | 60.3 | Low | 49.3 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -106.2 | 126.9 | -173.3 | 35.9 | -29.1 | 0 | 0 | 0 | 115.5 | ||||
| 788 | R | 40.8 | Very low | 49.6 | Very low | 260 Ų | 260 | 118.9 Ų | 118.9 | 98% | 0.981 | 80% | 0.804 | S | S | * | * | trans | -171.2 | 145.4 | 167.8 | -158.7 | 170.7 | -178.4 | 173 | -0.1 | 109.1 | ||||
| 789 | G | 46.9 | Very low | 49.8 | Very low | 54 Ų | 54 | 123.1 Ų | 123.1 | 56% | 0.557 | 81% | 0.807 | S | S | * | * | cis | -177.4 | 158.9 | -7.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 790 | P | 53.8 | Low | 49.7 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -80.2 | 132.4 | -163.9 | 29.9 | -35.4 | 0 | 0 | 0 | 115.3 | ||||
| 791 | P | 51.7 | Low | 49.5 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | trans | -78.6 | 159.2 | 168.1 | -15.9 | 32.5 | 0 | 0 | 0 | 114.2 | ||||
| 792 | G | 49.1 | Very low | 49.5 | Very low | 66 Ų | 66 | 127.3 Ų | 127.3 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | -96.3 | -175.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 793 | P | 52.3 | Low | 49.6 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -79.7 | 158 | -168.5 | 32.5 | -36.9 | 0 | 0 | 0 | 115 | ||||
| 794 | V | 58.4 | Low | 50 | Low | 143 Ų | 143 | 127.3 Ų | 127.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -110.6 | 145.2 | -177.2 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 795 | G | 51.5 | Low | 49.6 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 172.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 796 | P | 52.4 | Low | 49.9 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 158.6 | -171 | 32 | -36.6 | 0 | 0 | 0 | 114.7 | ||
| 797 | S | 51.1 | Low | 50.2 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 150.2 | -177.3 | -65.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 798 | G | 54.5 | Low | 49.7 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 166.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 799 | K | 44.5 | Very low | 50.6 | Low | 212 Ų | 212 | 122.3 Ų | 122.3 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97 | 152.7 | -176.9 | -68.8 | -176.9 | 175.1 | -176.6 | 0 | 113 | ||
| 800 | E | 42.3 | Very low | 50.5 | Low | 200 Ų | 200 | 122.5 Ų | 122.5 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 165.8 | -180 | -59.3 | 173.8 | 134 | 0 | 0 | 113.2 | ||
| 801 | G | 46.7 | Very low | 50.5 | Low | 68 Ų | 68 | 122.6 Ų | 122.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -129.3 | 139.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 802 | N | 45.3 | Very low | 50.3 | Low | 165 Ų | 165 | 122.3 Ų | 122.3 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 134 | -169.8 | -63.4 | -38.4 | 0 | 0 | 0 | 113.3 | ||
| 803 | P | 54 | Low | 50.1 | Low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 155.2 | 168 | -21.1 | 34.4 | 0 | 0 | 0 | 113.9 | ||
| 804 | G | 50.8 | Low | 50.1 | Low | 65 Ų | 65 | 124.1 Ų | 124.1 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 170.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 805 | P | 48.3 | Very low | 49.6 | Very low | 134 Ų | 134 | 129 Ų | 129 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 154.4 | -172.5 | 32.2 | -36.5 | 0 | 0 | 0 | 114.6 | ||
| 806 | L | 50.5 | Low | 49.8 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 154.8 | 176 | -77.8 | 80.9 | 0 | 0 | 0 | 112.9 | ||
| 807 | G | 49.1 | Very low | 49.4 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83 | 166.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 808 | P | 49.2 | Very low | 49.6 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 154.3 | -169.3 | 32.8 | -36.8 | 0 | 0 | 0 | 114.8 | ||
| 809 | I | 59.3 | Low | 49.8 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -112.5 | 142.1 | 177.2 | -69 | 168.1 | 0 | 0 | 0 | 110 | ||||
| 810 | G | 45.4 | Very low | 50.2 | Low | 57 Ų | 57 | 128.7 Ų | 128.7 | 59% | 0.588 | 82% | 0.82 | S | S | * | * | trans | -83.3 | 153.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 811 | P | 54.6 | Low | 50.8 | Low | 134 Ų | 134 | 124 Ų | 124 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | trans | -97.4 | 137.2 | -164.3 | 35.7 | -34.6 | 0 | 0 | 0 | 115.5 | ||||
| 812 | P | 46.1 | Very low | 51.8 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -129.1 | 130.9 | 157.2 | 20.1 | 1 | 0 | 0 | 0 | 114.1 | ||||
| 813 | G | 44.8 | Very low | 52.6 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 85.9 | 100.7 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 814 | V | 53.9 | Low | 53 | Low | 160 Ų | 160 | 125.4 Ų | 125.4 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | -80.3 | 130.1 | 166.4 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 815 | R | 48 | Very low | 53.6 | Low | 246 Ų | 246 | 124.9 Ų | 124.9 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | trans | -126.1 | 148.3 | 164.8 | -178.5 | 170.7 | -81.3 | -171.4 | -4.3 | 108.1 | ||||
| 816 | G | 54.4 | Low | 54.3 | Low | 69 Ų | 69 | 124.5 Ų | 124.5 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 158.3 | -160.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | V818 | G816-V818 PolarHBondContact O-N 2.7Š|
| 817 | S | 45.3 | Very low | 55.1 | Low | 125 Ų | 125 | 122.5 Ų | 122.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 125.3 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 818 | V | 55.6 | Low | 55.7 | Low | 141 Ų | 141 | 123.1 Ų | 123.1 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 144.4 | 156.5 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | G816 | G816-V818 PolarHBondContact O-N 2.7Š|
| 819 | G | 57.4 | Low | 56.4 | Low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 159.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | A821 | G819-A821 PolarHBondContact O-N 2.79Š|
| 820 | E | 53.3 | Low | 56.7 | Low | 203 Ų | 203 | 123.7 Ų | 123.7 | 95% | 0.949 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.1 | 176.7 | -68.6 | 174.9 | 104.6 | 0 | 0 | 111.4 | ||
| 821 | A | 55 | Low | 57.3 | Low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 137.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G819 | G819-A821 PolarHBondContact O-N 2.79Š|
| 822 | G | 67.6 | Low | 57.8 | Low | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 159 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 823 | P | 61.2 | Low | 58.7 | Low | 135 Ų | 135 | 123.9 Ų | 123.9 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.1 | 179.3 | 26.2 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 824 | E | 62.8 | Low | 59.1 | Low | 193 Ų | 193 | 123.1 Ų | 123.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 140.5 | -179.2 | -166.2 | 171 | -172.2 | 0 | 0 | 111.6 | ||
| 825 | G | 63 | Low | 59.4 | Low | 55 Ų | 55 | 121.1 Ų | 121.1 | 57% | 0.567 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 155.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 826 | P | 63.9 | Low | 59.9 | Low | 125 Ų | 125 | 115.7 Ų | 115.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 144.5 | 176.6 | 27.1 | -34.5 | 0 | 0 | 0 | 111.2 | G828 | P826-G828 PolarHBondContact O-N 3.26Š|
| 827 | P | 66 | Low | 59.7 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.4 | 178.9 | -26.1 | 34.9 | 0 | 0 | 0 | 112.9 | ||
| 828 | G | 63.2 | Low | 60.2 | Low | 74 Ų | 74 | 115.4 Ų | 115.4 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 153.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P826 | P826-G828 PolarHBondContact O-N 3.26Š|
| 829 | E | 62.5 | Low | 59.9 | Low | 186 Ų | 186 | 114.9 Ų | 114.9 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 150.6 | -179.9 | -64.1 | -167.9 | 133.9 | 0 | 0 | 112.6 | G831 | E829-G831 PolarHBondContact O-N 2.79Š|
| 830 | P | 65.7 | Low | 59 | Low | 129 Ų | 129 | 115 Ų | 115 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 129.1 | 178.6 | -22.5 | 34 | 0 | 0 | 0 | 112.7 | ||
| 831 | G | 59.2 | Low | 58.1 | Low | 67 Ų | 67 | 113.5 Ų | 113.5 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E829 | E829-G831 PolarHBondContact O-N 2.79Š|
| 832 | P | 65.5 | Low | 57.1 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 159.9 | -177.5 | 28 | -35.5 | 0 | 0 | 0 | 112.7 | G834 | P832-G834 PolarHBondContact O-N 3.01Š|
| 833 | P | 64.4 | Low | 55.7 | Low | 131 Ų | 131 | 119.4 Ų | 119.4 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.8 | 178.3 | -23.6 | 34.3 | 0 | 0 | 0 | 112.6 | ||
| 834 | G | 52.8 | Low | 54.5 | Low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 145.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P832 | P832-G834 PolarHBondContact O-N 3.01Š|
| 835 | P | 60.4 | Low | 53.1 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 159.2 | -178.8 | 28.6 | -35.4 | 0 | 0 | 0 | 112.3 | ||
| 836 | P | 59.4 | Low | 51.7 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 139.7 | 174.6 | -23.6 | 34.4 | 0 | 0 | 0 | 112.3 | ||
| 837 | G | 49.1 | Very low | 50.8 | Low | 65 Ų | 65 | 114.7 Ų | 114.7 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 147.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 838 | P | 56.6 | Low | 49.5 | Very low | 123 Ų | 123 | 114.8 Ų | 114.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 149.8 | -178.7 | 27.5 | -35 | 0 | 0 | 0 | 111.9 | ||
| 839 | P | 48.8 | Very low | 48.4 | Very low | 130 Ų | 130 | 118.2 Ų | 118.2 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 144 | 174.9 | -25.2 | 35.1 | 0 | 0 | 0 | 113 | ||
| 840 | G | 38.7 | Very low | 47 | Very low | 68 Ų | 68 | 118.2 Ų | 118.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L842 | G840-L842 PolarHBondContact O-N 2.87Å; G840-L842 VanDerWaalsContact O-N 3.13Å |
| 841 | H | 34.9 | Very low | 45.4 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | -70.5 | 105.3 | -176.7 | -156.7 | -69.4 | 0 | 0 | 0 | 111.2 | T843 | H841-T843 PolarHBondContact ND1-OG1 2.87Š| ||
| 842 | L | 34.1 | Very low | 44.4 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 125.2 | 175 | -66.5 | 177.3 | 0 | 0 | 0 | 110.3 | G840 | G840-L842 PolarHBondContact O-N 2.87Å; G840-L842 VanDerWaalsContact O-N 3.13Å | ||
| 843 | T | 37.3 | Very low | 42.8 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -134 | 55.4 | 178.2 | -39.8 | 0 | 0 | 0 | 0 | 111 | H841 | H841-T843 PolarHBondContact ND1-OG1 2.87Š| ||
| 844 | A | 37.3 | Very low | 41.2 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -160.4 | 138.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 845 | A | 32.9 | Very low | 40.3 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | 68.2 | 139.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 846 | L | 32.7 | Very low | 38.8 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | 54.6 | 115.2 | 172.3 | -77.4 | 69.1 | 0 | 0 | 0 | 116.3 | D848 | L846-D848 HydrophobicContact CD2-CB 4.36Å; L846-D848 HydrophobicContact CG-CB 4.37Å | ||
| 847 | G | 46.1 | Very low | 37.7 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | cis | 78.3 | 14.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 848 | D | 38.5 | Very low | 37.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -162 | 159.3 | 163.1 | -119.5 | -33.7 | 0 | 0 | 0 | 110.5 | L846 | L846-D848 HydrophobicContact CD2-CB 4.36Å; L846-D848 HydrophobicContact CG-CB 4.37Å | ||
| 849 | I | 39.4 | Very low | 36.6 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 79.6 | 124.9 | 176 | -54.9 | 171.8 | 0 | 0 | 0 | 117.2 | ||
| 850 | M | 32.8 | Very low | 36.2 | Very low | 186 Ų | 186 | 133.9 Ų | 133.9 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | trans | 63.8 | 110.3 | 166.1 | -72.5 | 178 | -169.7 | 0 | 0 | 120 | ||||
| 851 | G | 33.2 | Very low | 36.1 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -132.9 | 141.3 | 133 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 852 | H | 37.3 | Very low | 36.9 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 171.7 | 151.7 | 157.7 | -91.7 | 8.1 | 0 | 0 | 0 | 110.7 | ||||
| 853 | Y | 31.9 | Very low | 36.8 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 45.1 | 147.5 | 158.1 | 39.5 | -128 | 0 | 0 | 0 | 123.2 | ||||
| 854 | D | 31.8 | Very low | 37.2 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | cis | -165.1 | 164.2 | -30.6 | -143.3 | -10.7 | 0 | 0 | 0 | 113.4 | ||||
| 855 | E | 32.4 | Very low | 37.6 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 9 | 129.6 | 159.4 | -152.1 | 162.6 | 90.1 | 0 | 0 | 124.3 | ||||
| 856 | S | 30.5 | Very low | 37.9 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 174.5 | 155.6 | 125.9 | 40.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 857 | M | 35.4 | Very low | 38.4 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -127.9 | -178.8 | -174.1 | -117.5 | -166.8 | -172.5 | 0 | 0 | 110.5 | ||||
| 858 | P | 44 | Very low | 38.3 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | cis | -137.2 | -174.3 | 6.7 | 40.8 | -20.2 | 0 | 0 | 0 | 117.4 | ||||
| 859 | D | 37.7 | Very low | 38.5 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -72.5 | 169.8 | 179.2 | -68.1 | -59.9 | 0 | 0 | 0 | 117 | ||||
| 860 | P | 40.7 | Very low | 38.9 | Very low | 131 Ų | 131 | 144 Ų | 144 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -135 | 141 | 96.4 | 38 | -27.9 | 0 | 0 | 0 | 116.7 | |||||
| 861 | L | 37 | Very low | 39.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | trans | -84.2 | 179.2 | 172.7 | -65.8 | 170.8 | 0 | 0 | 0 | 112.1 | ||||
| 862 | P | 51.3 | Low | 39.8 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -136.5 | 157.2 | 1.8 | 39.2 | -22 | 0 | 0 | 0 | 117.2 | ||||
| 863 | E | 33.5 | Very low | 40.7 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -152.2 | 151.4 | 138.2 | -133.5 | 165.2 | -162.6 | 0 | 0 | 110.9 | ||||
| 864 | F | 43.8 | Very low | 41.7 | Very low | 171 Ų | 171 | 141.6 Ų | 141.6 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | trans | -96.1 | 114.5 | -162.8 | -90.3 | -109.5 | 0 | 0 | 0 | 113.9 | ||||
| 865 | T | 46.2 | Very low | 42.8 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -152.7 | 90.3 | 156.5 | 28.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 866 | E | 40.6 | Very low | 44.1 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -166.3 | 144.5 | 144 | -113.1 | 175.5 | 173.5 | 0 | 0 | 108.3 | Q868 | E866-Q868 PolarHBondContact O-N 3.31Š|
| 867 | D | 42.7 | Very low | 45.5 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | -77 | 122.5 | 178.4 | -165.8 | 5.1 | 0 | 0 | 0 | 109.4 | A869 | D867-A869 PolarHBondContact O-N 2.75Š| ||
| 868 | Q | 43.5 | Very low | 47.2 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -82.2 | 78 | -158.4 | -69.4 | -178 | -28.1 | 0 | 0 | 112.5 | E866 A870 | E866-Q868 PolarHBondContact O-N 3.31Å; Q868-A870 VanDerWaalsContact C-N 3.31Å | ||
| 869 | A | 43 | Very low | 48.9 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -88.1 | 6.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D867 | D867-A869 PolarHBondContact O-N 2.75Š| ||
| 870 | A | 48 | Very low | 51.1 | Low | 73 Ų | 73 | 130.8 Ų | 130.8 | 60% | 0.603 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -64 | 143.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q868 D872 | Q868-A870 VanDerWaalsContact C-N 3.31Å; A870-D872 PolarHBondContact O-N 3.03Å |
| 871 | P | 44.3 | Very low | 53.4 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | trans | -69.5 | 101.5 | 179.8 | 28.3 | -33.7 | 0 | 0 | 0 | 110.5 | D873 | P871-D873 PolarHBondContact O-N 2.64Š| ||
| 872 | D | 41.2 | Very low | 55.8 | Low | 87 Ų | 87 | 125.2 Ų | 125.2 | 47% | 0.465 | 69% | 0.686 | S | S | . | * | trans | -66.5 | 93.7 | 169.4 | 174.1 | 16.8 | 0 | 0 | 0 | 109.5 | A870 K874 N875 | A870-D872 PolarHBondContact O-N 3.03Å; D872-K874 PolarHBondContact O-N 3.46Å; D872-K874 PolarHBondContact OD1-N 2.02Å; D872-N875 HydrophobicContact CB-CB 4.24Å; D872-N875 CarbonylContact O-C 3.5Å; D872-N875 WeakPolarHBondContact O-CA 3.21Å; D872-N875 PolarHBondContact O-N 2.88Å; D872-N875 WeakPolarHBondContact OD2-CB 3.37Å; D872-N875 PolarHBondContact OD2-ND2 2.87Å | ||
| 873 | D | 54.7 | Low | 57.6 | Low | 161 Ų | 161 | 123 Ų | 123 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -0.9 | -177.1 | -112 | -25 | 0 | 0 | 0 | 114.6 | P871 | P871-D873 PolarHBondContact O-N 2.64Š|
| 874 | K | 54.3 | Low | 60.4 | Low | 195 Ų | 195 | 118.1 Ų | 118.1 | 85% | 0.848 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -28.5 | 170.6 | -68 | 175.5 | -176.2 | 168.3 | 0 | 112.9 | D872 K876 | D872-K874 PolarHBondContact O-N 3.46Å; D872-K874 PolarHBondContact OD1-N 2.02Å; K874-K876 PolarHBondContact O-N 3.2Å |
| 875 | N | 54.8 | Low | 62.7 | Low | 109 Ų | 109 | 114.8 Ų | 114.8 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | trans | -80.3 | 95 | 164.2 | -98.6 | -53.6 | 0 | 0 | 0 | 110 | D872 T877 | D872-N875 HydrophobicContact CB-CB 4.24Å; D872-N875 CarbonylContact O-C 3.5Å; D872-N875 WeakPolarHBondContact O-CA 3.21Å; D872-N875 PolarHBondContact O-N 2.88Å; D872-N875 WeakPolarHBondContact OD2-CB 3.37Å; D872-N875 PolarHBondContact OD2-ND2 2.87Å; N875-T877 PolarHBondContact O-N 2.69Å | ||
| 876 | K | 59.2 | Low | 64.9 | Low | 197 Ų | 197 | 115.5 Ų | 115.5 | 86% | 0.857 | 64% | 0.64 | S | S | * | * | trans | -63 | 77.9 | 154.4 | -71.5 | -177.6 | 178.5 | 177.7 | 0 | 109 | K874 D878 | K874-K876 PolarHBondContact O-N 3.2Å; K876-D878 PolarHBondContact O-N 3.38Å; K876-D878 VanDerWaalsContact O-N 3.13Å | ||
| 877 | T | 60.1 | Low | 67.4 | Low | 80 Ų | 80 | 109.6 Ų | 109.6 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | trans | -48.5 | 120.2 | 164 | 18 | 0 | 0 | 0 | 0 | 106.5 | N875 H882 | N875-T877 PolarHBondContact O-N 2.69Å; T877-H882 VanDerWaalsContact CB-NE2 3.34Å; T877-H882 WeakPolarHBondContact CB-NE2 3.36Å; T877-H882 PolarHBondContact O-CD2 2.85Å; T877-H882 PolarHBondContact OG1-NE2 2.63Å | ||
| 878 | D | 71.8 | Confident | 69.8 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 54% | 0.535 | 60% | 0.598 | S | S | . | * | trans | -51.5 | 127.7 | -162.9 | -171.3 | -35.8 | 0 | 0 | 0 | 110 | K876 G880 V881 H882 | K876-D878 PolarHBondContact O-N 3.38Å; K876-D878 VanDerWaalsContact O-N 3.13Å; D878-G880 PolarHBondContact O-N 2.72Å; D878-G880 PolarHBondContact OD1-N 3.39Å; D878-V881 HydrophobicContact CB-CB 4.25Å; D878-V881 HydrophobicContact CB-CG2 4Å; D878-V881 WeakPolarHBondContact O-CA 3.42Å; D878-V881 WeakPolarHBondContact O-CB 3.34Å; D878-V881 PolarHBondContact O-N 2.86Å; D878-H882 PolarHBondContact O-N 2.96Å | ||
| 879 | P | 78.4 | Confident | 72.2 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 66% | 0.662 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -50.4 | -29.6 | 174.7 | -29.4 | 36.5 | 0 | 0 | 0 | 113.2 | A883 | P879-A883 WeakPolarHBondContact O-CB 3.45Å; P879-A883 PolarHBondContact O-N 3.14Å |
| 880 | G | 83.7 | Confident | 74.5 | Confident | 37 Ų | 37 | 100.5 Ų | 100.5 | 38% | 0.381 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.6 | -45 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D878 A883 T884 | D878-G880 PolarHBondContact O-N 2.72Å; D878-G880 PolarHBondContact OD1-N 3.39Å; G880-A883 PolarHBondContact O-N 2.98Å; G880-T884 WeakPolarHBondContact O-CB 3.42Å; G880-T884 PolarHBondContact O-N 3.27Å; G880-T884 PolarHBondContact O-OG1 3.38Å |
| 881 | V | 89.4 | Confident | 76.5 | Confident | 78 Ų | 78 | 101.9 Ų | 101.9 | 47% | 0.473 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -44 | 176.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | D878 A883 T884 L885 | D878-V881 HydrophobicContact CB-CB 4.25Å; D878-V881 HydrophobicContact CB-CG2 4Å; D878-V881 WeakPolarHBondContact O-CA 3.42Å; D878-V881 WeakPolarHBondContact O-CB 3.34Å; D878-V881 PolarHBondContact O-N 2.86Å; V881-A883 VanDerWaalsContact C-N 3.34Å; V881-A883 PolarHBondContact O-N 2.85Å; V881-T884 PolarHBondContact O-N 3.36Å; V881-L885 HydrophobicContact CG1-CD1 4.08Å; V881-L885 HydrophobicContact CG1-CG 4.43Å; V881-L885 WeakPolarHBondContact O-CG 3.39Å; V881-L885 PolarHBondContact O-N 3.43Å |
| 882 | H | 87.3 | Confident | 78.9 | Confident | 83 Ų | 83 | 99.9 Ų | 99.9 | 38% | 0.384 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 173.9 | -88.8 | -62.2 | 0 | 0 | 0 | 112.5 | T877 D878 K886 | T877-H882 VanDerWaalsContact CB-NE2 3.34Å; T877-H882 WeakPolarHBondContact CB-NE2 3.36Å; T877-H882 PolarHBondContact O-CD2 2.85Å; T877-H882 PolarHBondContact OG1-NE2 2.63Å; D878-H882 PolarHBondContact O-N 2.96Å; H882-K886 WeakPolarHBondContact O-CB 3.24Å; H882-K886 WeakPolarHBondContact O-CG 3.27Å; H882-K886 PolarHBondContact O-N 2.64Å |
| 883 | A | 88.8 | Confident | 81.1 | Confident | 58 Ų | 58 | 102 Ų | 102 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P879 G880 V881 K886 S887 | P879-A883 WeakPolarHBondContact O-CB 3.45Å; P879-A883 PolarHBondContact O-N 3.14Å; G880-A883 PolarHBondContact O-N 2.98Å; V881-A883 VanDerWaalsContact C-N 3.34Å; V881-A883 PolarHBondContact O-N 2.85Å; A883-K886 PolarHBondContact O-N 2.95Å; A883-S887 VanDerWaalsContact O-CB 3.26Å; A883-S887 WeakPolarHBondContact O-CB 3.32Å; A883-S887 PolarHBondContact O-N 3.16Å |
| 884 | T | 92.4 | Very high | 82.8 | Confident | 93 Ų | 93 | 95.8 Ų | 95.8 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | G880 V881 S887 L888 | G880-T884 WeakPolarHBondContact O-CB 3.42Å; G880-T884 PolarHBondContact O-N 3.27Å; G880-T884 PolarHBondContact O-OG1 3.38Å; V881-T884 PolarHBondContact O-N 3.36Å; T884-S887 PolarHBondContact O-N 3.05Å; T884-L888 WeakPolarHBondContact O-CB 3.22Å; T884-L888 PolarHBondContact O-N 3.06Å |
| 885 | L | 92.1 | Very high | 84.3 | Confident | 101 Ų | 101 | 93.2 Ų | 93.2 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 176.7 | -73 | 172 | 0 | 0 | 0 | 111.8 | V881 L888 S889 | V881-L885 HydrophobicContact CG1-CD1 4.08Å; V881-L885 HydrophobicContact CG1-CG 4.43Å; V881-L885 WeakPolarHBondContact O-CG 3.39Å; V881-L885 PolarHBondContact O-N 3.43Å; L885-L888 PolarHBondContact O-N 3.34Å; L885-S889 VanDerWaalsContact O-CB 3.3Å; L885-S889 WeakPolarHBondContact O-CB 3.24Å; L885-S889 PolarHBondContact O-N 3.23Å |
| 886 | K | 92.5 | Very high | 86.1 | Confident | 155 Ų | 155 | 98 Ų | 98 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 174.2 | -73.1 | 178.2 | -179.9 | -178.2 | 0 | 112.1 | H882 A883 S890 | H882-K886 WeakPolarHBondContact O-CB 3.24Å; H882-K886 WeakPolarHBondContact O-CG 3.27Å; H882-K886 PolarHBondContact O-N 2.64Å; A883-K886 PolarHBondContact O-N 2.95Å; K886-S890 VanDerWaalsContact O-CB 3.28Å; K886-S890 WeakPolarHBondContact O-CB 3.35Å; K886-S890 PolarHBondContact O-N 3.45Å |
| 887 | S | 93.6 | Very high | 87.6 | Confident | 58 Ų | 58 | 90.2 Ų | 90.2 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | A883 T884 Q891 | A883-S887 VanDerWaalsContact O-CB 3.26Å; A883-S887 WeakPolarHBondContact O-CB 3.32Å; A883-S887 PolarHBondContact O-N 3.16Å; T884-S887 PolarHBondContact O-N 3.05Å; S887-Q891 WeakPolarHBondContact O-CB 3.37Å; S887-Q891 VanDerWaalsContact O-CG 3.24Å; S887-Q891 WeakPolarHBondContact O-CG 2.95Å; S887-Q891 PolarHBondContact O-N 2.91Å |
| 888 | L | 93.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 87.9 Ų | 87.9 | 45% | 0.45 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 178.8 | -177.9 | 62.2 | 0 | 0 | 0 | 111.4 | T884 L885 S890 Q891 I892 | T884-L888 WeakPolarHBondContact O-CB 3.22Å; T884-L888 PolarHBondContact O-N 3.06Å; L885-L888 PolarHBondContact O-N 3.34Å; L888-S890 VanDerWaalsContact C-N 3.33Å; L888-S890 PolarHBondContact O-N 3.3Å; L888-Q891 PolarHBondContact O-N 3.42Å; L888-I892 HydrophobicContact CD1-CD1 4.18Å; L888-I892 HydrophobicContact CD1-CG1 4.44Å; L888-I892 HydrophobicContact CG-CD1 3.98Å; L888-I892 VanDerWaalsContact O-CG1 3.3Å; L888-I892 WeakPolarHBondContact O-CG1 3.38Å; L888-I892 PolarHBondContact O-N 3.08Å |
| 889 | S | 93.9 | Very high | 90.3 | Very high | 73 Ų | 73 | 85.7 Ų | 85.7 | 51% | 0.51 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 173 | -170.5 | 0 | 0 | 0 | 0 | 111 | L885 I892 E893 | L885-S889 VanDerWaalsContact O-CB 3.3Å; L885-S889 WeakPolarHBondContact O-CB 3.24Å; L885-S889 PolarHBondContact O-N 3.23Å; S889-I892 PolarHBondContact O-N 2.95Å; S889-E893 WeakPolarHBondContact O-CB 3.49Å; S889-E893 PolarHBondContact O-N 3.33Å |
| 890 | S | 91 | Very high | 91 | Very high | 65 Ų | 65 | 81 Ų | 81 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.9 | 178.9 | 0 | 0 | 0 | 0 | 112.5 | K886 L888 E893 T894 | K886-S890 VanDerWaalsContact O-CB 3.28Å; K886-S890 WeakPolarHBondContact O-CB 3.35Å; K886-S890 PolarHBondContact O-N 3.45Å; L888-S890 VanDerWaalsContact C-N 3.33Å; L888-S890 PolarHBondContact O-N 3.3Å; S890-E893 PolarHBondContact O-N 3.31Å; S890-T894 PolarHBondContact O-N 3.37Å; S890-T894 PolarHBondContact O-OG1 2.83Å |
| 891 | Q | 90.6 | Very high | 91.5 | Very high | 102 Ų | 102 | 81 Ų | 81 | 48% | 0.477 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.1 | -76.6 | 167.7 | 7.4 | 0 | 0 | 112.1 | S887 L888 E893 T894 M895 | S887-Q891 WeakPolarHBondContact O-CB 3.37Å; S887-Q891 VanDerWaalsContact O-CG 3.24Å; S887-Q891 WeakPolarHBondContact O-CG 2.95Å; S887-Q891 PolarHBondContact O-N 2.91Å; L888-Q891 PolarHBondContact O-N 3.42Å; Q891-E893 VanDerWaalsContact C-N 3.31Å; Q891-E893 PolarHBondContact O-N 3.17Å; Q891-T894 WeakPolarHBondContact CA-OG1 3.27Å; Q891-T894 PolarHBondContact O-N 2.82Å; Q891-T894 PolarHBondContact O-OG1 2.81Å; Q891-M895 WeakPolarHBondContact O-CG 3.43Å; Q891-M895 PolarHBondContact O-N 3.38Å |
| 892 | I | 93 | Very high | 91.7 | Very high | 78 Ų | 78 | 81.4 Ų | 81.4 | 40% | 0.4 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.2 | -68.2 | 166.1 | 0 | 0 | 0 | 110.6 | L888 S889 M895 R896 | L888-I892 HydrophobicContact CD1-CD1 4.18Å; L888-I892 HydrophobicContact CD1-CG1 4.44Å; L888-I892 HydrophobicContact CG-CD1 3.98Å; L888-I892 VanDerWaalsContact O-CG1 3.3Å; L888-I892 WeakPolarHBondContact O-CG1 3.38Å; L888-I892 PolarHBondContact O-N 3.08Å; S889-I892 PolarHBondContact O-N 2.95Å; I892-M895 HydrophobicContact CG1-CE 4.14Å; I892-M895 PolarHBondContact O-N 2.8Å; I892-R896 VanDerWaalsContact O-CG 3.31Å; I892-R896 WeakPolarHBondContact O-CG 3Å; I892-R896 PolarHBondContact O-N 3.27Å |
| 893 | E | 89.4 | Confident | 92 | Very high | 130 Ų | 130 | 85.2 Ų | 85.2 | 61% | 0.607 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.4 | -44.4 | 176.3 | -169.4 | 162.6 | -143.1 | 0 | 0 | 112 | S889 S890 Q891 M895 R896 S897 | S889-E893 WeakPolarHBondContact O-CB 3.49Å; S889-E893 PolarHBondContact O-N 3.33Å; S890-E893 PolarHBondContact O-N 3.31Å; Q891-E893 VanDerWaalsContact C-N 3.31Å; Q891-E893 PolarHBondContact O-N 3.17Å; E893-M895 VanDerWaalsContact C-N 3.29Å; E893-M895 PolarHBondContact O-N 3.17Å; E893-R896 PolarHBondContact O-N 2.87Å; E893-R896 VanDerWaalsContact O-N 3.13Å; E893-S897 PolarHBondContact O-N 3.36Å |
| 894 | T | 88.7 | Confident | 92.2 | Very high | 32 Ų | 32 | 86 Ų | 86 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67 | -24.9 | 174.2 | 53.5 | 0 | 0 | 0 | 0 | 114 | S890 Q891 P898 | S890-T894 PolarHBondContact O-N 3.37Å; S890-T894 PolarHBondContact O-OG1 2.83Å; Q891-T894 WeakPolarHBondContact CA-OG1 3.27Å; Q891-T894 PolarHBondContact O-N 2.82Å; Q891-T894 PolarHBondContact O-OG1 2.81Å; T894-P898 VanDerWaalsContact O-CA 3.26Å; T894-P898 WeakPolarHBondContact O-CA 3.24Å |
| 895 | M | 87.3 | Confident | 92.4 | Very high | 141 Ų | 141 | 82.1 Ų | 82.1 | 70% | 0.695 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -78.1 | -28.7 | 171.5 | -73.3 | -173.7 | -64.8 | 0 | 0 | 112.7 | Q891 I892 E893 | Q891-M895 WeakPolarHBondContact O-CG 3.43Å; Q891-M895 PolarHBondContact O-N 3.38Å; I892-M895 HydrophobicContact CG1-CE 4.14Å; I892-M895 PolarHBondContact O-N 2.8Å; E893-M895 VanDerWaalsContact C-N 3.29Å; E893-M895 PolarHBondContact O-N 3.17Å |
| 896 | R | 90.8 | Very high | 92.6 | Very high | 209 Ų | 209 | 77.4 Ų | 77.4 | 79% | 0.789 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -86.4 | -30.4 | 177.6 | -70.8 | 178.3 | 73 | -158.8 | 2.7 | 113.3 | I892 E893 | I892-R896 VanDerWaalsContact O-CG 3.31Å; I892-R896 WeakPolarHBondContact O-CG 3Å; I892-R896 PolarHBondContact O-N 3.27Å; E893-R896 PolarHBondContact O-N 2.87Å; E893-R896 VanDerWaalsContact O-N 3.13Å |
| 897 | S | 92.5 | Very high | 92.7 | Very high | 33 Ų | 33 | 75 Ų | 75 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -139.1 | 68.3 | -177 | -167 | 0 | 0 | 0 | 0 | 109.9 | E893 H916 | E893-S897 PolarHBondContact O-N 3.36Å; S897-H916 PolarHBondContact O-NE2 2.85Å; S897-H916 PolarHBondContact OG-NE2 3.19Å |
| 898 | P | 94.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 72.6 Ų | 72.6 | 20% | 0.201 | 36% | 0.36 | C | S | . | . | trans | -54.6 | 140.8 | -179.6 | 21.1 | -33.2 | 0 | 0 | 0 | 112 | T894 H904 P905 A906 H916 | T894-P898 VanDerWaalsContact O-CA 3.26Å; T894-P898 WeakPolarHBondContact O-CA 3.24Å; P898-H904 HydrophobicContact CB-CB 4.29Å; P898-H904 WeakPolarHBondContact CB-O 3.32Å; P898-P905 VanDerWaalsContact CB-O 3.29Å; P898-P905 WeakPolarHBondContact CB-O 3.26Å; P898-A906 HydrophobicContact CG-CB 4.41Å; P898-H916 PolarHBondContact O-NE2 2.88Å; P898-H916 VanDerWaalsContact O-NE2 3.12Å | ||
| 899 | D | 93 | Very high | 93 | Very high | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | trans | -90.1 | -2.3 | -169.4 | 80.6 | -41.9 | 0 | 0 | 0 | 113.9 | S901 H904 K919 | D899-S901 VanDerWaalsContact C-N 3.32Å; D899-S901 WeakPolarHBondContact OD1-CB 3.37Å; D899-S901 PolarHBondContact OD1-N 2.95Å; D899-S901 PolarHBondContact OD1-OG 2.79Å; D899-H904 PolarHBondContact N-O 2.97Å; D899-K919 WeakPolarHBondContact O-CE 3.48Å; D899-K919 PolarHBondContact O-NZ 2.85Å | ||
| 900 | G | 94.2 | Very high | 93 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 78.1 | 15.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H904 W925 | G900-H904 PolarHBondContact N-O 3.12Å; G900-W925 PolarHBondContact O-N 2.67Å |
| 901 | S | 94.5 | Very high | 93.2 | Very high | 36 Ų | 36 | 67.3 Ų | 67.3 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -78 | 161.7 | 168.6 | 69.4 | 0 | 0 | 0 | 0 | 111.2 | D899 K903 H904 P905 | D899-S901 VanDerWaalsContact C-N 3.32Å; D899-S901 WeakPolarHBondContact OD1-CB 3.37Å; D899-S901 PolarHBondContact OD1-N 2.95Å; D899-S901 PolarHBondContact OD1-OG 2.79Å; S901-K903 PolarHBondContact O-N 2.85Å; S901-H904 CarbonylContact O-C 3.55Å; S901-H904 PolarHBondContact O-N 2.81Å; S901-H904 VanDerWaalsContact O-N 3.13Å; S901-H904 PolarHBondContact OG-N 3.28Å; S901-P905 WeakPolarHBondContact O-CA 3.23Å |
| 902 | K | 92.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -59.9 | -20 | 175.7 | -172.4 | 163.3 | -172.8 | 161.4 | 0 | 113.7 | W925 | K902-W925 HydrophobicContact CB-CB 4.46Å; K902-W925 HydrophobicContact CB-CD2 3.74Å; K902-W925 HydrophobicContact CB-CE3 4.32Å; K902-W925 HydrophobicContact CB-CG 3.75Å; K902-W925 HydrophobicContact CD-CD2 3.96Å; K902-W925 HydrophobicContact CD-CE3 3.86Å; K902-W925 HydrophobicContact CD-CH2 3.71Å; K902-W925 HydrophobicContact CD-CZ2 3.77Å; K902-W925 HydrophobicContact CD-CZ3 3.74Å; K902-W925 HydrophobicContact CG-CD2 3.81Å; K902-W925 HydrophobicContact CG-CE3 3.88Å; K902-W925 HydrophobicContact CG-CG 4.29Å; K902-W925 HydrophobicContact CG-CZ2 4.5Å; K902-W925 HydrophobicContact CG-CZ3 4.27Å |
| 903 | K | 92.4 | Very high | 93.5 | Very high | 164 Ų | 164 | 61.3 Ų | 61.3 | 71% | 0.713 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -87 | -33.8 | 177.1 | -66.3 | -174.9 | 178.6 | -178 | 0 | 112.8 | S901 P905 | S901-K903 PolarHBondContact O-N 2.85Å; K903-P905 VanDerWaalsContact C-CD 3.44Å |
| 904 | H | 94.5 | Very high | 93.7 | Very high | 73 Ų | 73 | 61.2 Ų | 61.2 | 34% | 0.338 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -130.6 | 67.3 | -178.9 | -51.4 | -46.2 | 0 | 0 | 0 | 108.7 | P898 D899 G900 S901 | P898-H904 HydrophobicContact CB-CB 4.29Å; P898-H904 WeakPolarHBondContact CB-O 3.32Å; D899-H904 PolarHBondContact N-O 2.97Å; G900-H904 PolarHBondContact N-O 3.12Å; S901-H904 CarbonylContact O-C 3.55Å; S901-H904 PolarHBondContact O-N 2.81Å; S901-H904 VanDerWaalsContact O-N 3.13Å; S901-H904 PolarHBondContact OG-N 3.28Å |
| 905 | P | 95.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.078 | 31% | 0.307 | C | S | . | . | trans | -65.1 | 143.4 | -179.6 | 28.3 | -35.5 | 0 | 0 | 0 | 110.2 | P898 S901 K903 W925 D927 V933 A936 | P898-P905 VanDerWaalsContact CB-O 3.29Å; P898-P905 WeakPolarHBondContact CB-O 3.26Å; S901-P905 WeakPolarHBondContact O-CA 3.23Å; K903-P905 VanDerWaalsContact C-CD 3.44Å; P905-W925 WeakPolarHBondContact CA-O 3.09Å; P905-W925 HydrophobicContact CB-CB 4.23Å; P905-W925 WeakPolarHBondContact CB-O 3.1Å; P905-D927 HydrophobicContact CB-CB 3.9Å; P905-D927 HydrophobicContact CG-CB 3.65Å; P905-V933 HydrophobicContact CG-CB 3.94Å; P905-V933 HydrophobicContact CG-CG1 3.71Å; P905-A936 HydrophobicContact CB-CB 3.94Å; P905-A936 HydrophobicContact CG-CB 3.89Å | ||
| 906 | A | 95.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.017 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P898 L912 W925 I926 D927 | P898-A906 HydrophobicContact CG-CB 4.41Å; A906-L912 HydrophobicContact CB-CB 3.67Å; A906-L912 HydrophobicContact CB-CD1 3.99Å; A906-L912 HydrophobicContact CB-CD2 4.24Å; A906-L912 HydrophobicContact CB-CG 4.16Å; A906-W925 PolarHBondContact N-O 2.84Å; A906-I926 HydrophobicContact CB-CG2 4.45Å; A906-I926 CarbonylContact O-C 3.53Å; A906-I926 WeakPolarHBondContact O-CA 3.23Å; A906-I926 WeakPolarHBondContact O-CB 3.49Å; A906-D927 PolarHBondContact O-N 2.97Å |
| 907 | R | 95.4 | Very high | 94.1 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -69.2 | -45 | -179.9 | -173 | -166.3 | -162.5 | 174.5 | 8.1 | 112.5 | D911 P928 L1006 | R907-D911 HydrophobicContact CB-CB 4.41Å; R907-D911 WeakPolarHBondContact CB-OD2 3.27Å; R907-P928 WeakPolarHBondContact O-CA 3.38Å; R907-L1006 HydrophobicContact CG-CD1 4.05Å |
| 908 | T | 96.3 | Very high | 94.1 | Very high | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | trans | -142.9 | 172 | 173.2 | 69.6 | 0 | 0 | 0 | 0 | 110.2 | D910 D911 L912 L1003 L1006 | T908-D910 VanDerWaalsContact C-N 3.31Å; T908-D910 PolarHBondContact OG1-N 2.8Å; T908-D911 WeakPolarHBondContact CB-OD2 3.41Å; T908-D911 WeakPolarHBondContact CG2-OD2 2.99Å; T908-D911 PolarHBondContact N-OD2 3.12Å; T908-D911 VanDerWaalsContact N-OD2 3.17Å; T908-D911 PolarHBondContact OG1-N 2.83Å; T908-D911 PolarHBondContact OG1-OD2 2.69Å; T908-L912 WeakPolarHBondContact O-CB 3.1Å; T908-L912 PolarHBondContact O-N 2.99Å; T908-L1003 HydrophobicContact CG2-CD2 3.86Å; T908-L1006 HydrophobicContact CG2-CB 4.16Å; T908-L1006 HydrophobicContact CG2-CD1 3.59Å; T908-L1006 HydrophobicContact CG2-CG 4.48Å | ||
| 909 | C | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 172.3 | -64.1 | 0 | 0 | 0 | 0 | 113.3 | K913 C941 T948 | C909-K913 VanDerWaalsContact O-CB 3.26Å; C909-K913 WeakPolarHBondContact O-CB 3.3Å; C909-K913 PolarHBondContact O-N 3.27Å; C909-C941 VanDerWaalsContact CA-SG 3.58Å; C909-C941 HydrophobicContact CB-CB 3.47Å; C909-C941 VanDerWaalsContact CB-CB 3.47Å; C909-C941 WeakPolarHBondContact CB-SG 3.4Å; C909-C941 WeakPolarHBondContact SG-CA 3.23Å; C909-C941 WeakPolarHBondContact SG-CB 3.35Å; C909-C941 CovalentContact SG-SG 2.03Å; C909-C941 PolarHBondContact SG-SG 3.02Å; C909-T948 VanDerWaalsContact CB-OG1 3.27Å; C909-T948 WeakPolarHBondContact CB-OG1 3.24Å; C909-T948 PolarHBondContact N-OG1 2.95Å; C909-T948 VanDerWaalsContact N-OG1 3.13Å; C909-T948 PolarHBondContact SG-OG1 2.79Å |
| 910 | D | 95.1 | Very high | 94.2 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -75.1 | -41.3 | 175.4 | -161.2 | 53.4 | 0 | 0 | 0 | 111.1 | T908 L912 K913 L914 G946 | T908-D910 VanDerWaalsContact C-N 3.31Å; T908-D910 PolarHBondContact OG1-N 2.8Å; D910-L912 VanDerWaalsContact C-N 3.28Å; D910-L912 PolarHBondContact O-N 3.1Å; D910-K913 PolarHBondContact O-N 3.29Å; D910-L914 WeakPolarHBondContact O-CB 3.3Å; D910-L914 WeakPolarHBondContact O-CG 3.44Å; D910-L914 PolarHBondContact O-N 2.93Å; D910-G946 PolarHBondContact N-O 2.92Å |
| 911 | D | 94.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.1 | -44 | 170.1 | -66.4 | -74.3 | 0 | 0 | 0 | 111.1 | R907 T908 L914 C915 | R907-D911 HydrophobicContact CB-CB 4.41Å; R907-D911 WeakPolarHBondContact CB-OD2 3.27Å; T908-D911 WeakPolarHBondContact CB-OD2 3.41Å; T908-D911 WeakPolarHBondContact CG2-OD2 2.99Å; T908-D911 PolarHBondContact N-OD2 3.12Å; T908-D911 VanDerWaalsContact N-OD2 3.17Å; T908-D911 PolarHBondContact OG1-N 2.83Å; T908-D911 PolarHBondContact OG1-OD2 2.69Å; D911-L914 PolarHBondContact O-N 3.13Å; D911-C915 WeakPolarHBondContact O-CB 3.42Å; D911-C915 PolarHBondContact O-N 3.46Å; D911-C915 PolarHBondContact O-SG 3.49Å |
| 912 | L | 95.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.6 | -175.9 | 54.1 | 0 | 0 | 0 | 112.2 | A906 T908 D910 C915 H916 K919 Y924 M943 | A906-L912 HydrophobicContact CB-CB 3.67Å; A906-L912 HydrophobicContact CB-CD1 3.99Å; A906-L912 HydrophobicContact CB-CD2 4.24Å; A906-L912 HydrophobicContact CB-CG 4.16Å; T908-L912 WeakPolarHBondContact O-CB 3.1Å; T908-L912 PolarHBondContact O-N 2.99Å; D910-L912 VanDerWaalsContact C-N 3.28Å; D910-L912 PolarHBondContact O-N 3.1Å; L912-C915 PolarHBondContact O-N 2.78Å; L912-H916 WeakPolarHBondContact O-CA 3.15Å; L912-H916 WeakPolarHBondContact O-CB 3.25Å; L912-H916 PolarHBondContact O-N 3.4Å; L912-K919 HydrophobicContact CD1-CD 3.71Å; L912-K919 HydrophobicContact CD2-CD 4.43Å; L912-K919 HydrophobicContact CG-CD 4.03Å; L912-Y924 HydrophobicContact CD2-CD1 3.7Å; L912-Y924 HydrophobicContact CD2-CD2 4.27Å; L912-Y924 HydrophobicContact CD2-CE1 4.26Å; L912-Y924 HydrophobicContact CD2-CG 3.71Å; L912-M943 HydrophobicContact CD2-CE 3.71Å; L912-M943 HydrophobicContact CG-CE 3.9Å |
| 913 | K | 95.2 | Very high | 94.5 | Very high | 52 Ų | 52 | 66 Ų | 66 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 175.1 | 172.5 | -170.3 | 176.9 | 179.4 | 0 | 112.2 | C909 D910 H916 S917 M943 E944 T945 | C909-K913 VanDerWaalsContact O-CB 3.26Å; C909-K913 WeakPolarHBondContact O-CB 3.3Å; C909-K913 PolarHBondContact O-N 3.27Å; D910-K913 PolarHBondContact O-N 3.29Å; K913-H916 CarbonylContact O-C 3.5Å; K913-S917 WeakPolarHBondContact O-CA 3.39Å; K913-S917 PolarHBondContact O-N 3.07Å; K913-M943 HydrophobicContact CB-SD 3.94Å; K913-M943 VanDerWaalsContact CD-O 3.22Å; K913-M943 WeakPolarHBondContact CD-O 3.34Å; K913-M943 WeakPolarHBondContact CE-O 3.46Å; K913-E944 PolarHBondContact NZ-O 3.33Å; K913-T945 PolarHBondContact NZ-O 3.38Å |
| 914 | L | 92.4 | Very high | 94.7 | Very high | 128 Ų | 128 | 60.1 Ų | 60.1 | 67% | 0.67 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 178.3 | -71.9 | 168.1 | 0 | 0 | 0 | 111.8 | D910 D911 | D910-L914 WeakPolarHBondContact O-CB 3.3Å; D910-L914 WeakPolarHBondContact O-CG 3.44Å; D910-L914 PolarHBondContact O-N 2.93Å; D911-L914 PolarHBondContact O-N 3.13Å |
| 915 | C | 92.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78.7 | -30.4 | 178.1 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | D911 L912 | D911-C915 WeakPolarHBondContact O-CB 3.42Å; D911-C915 PolarHBondContact O-N 3.46Å; D911-C915 PolarHBondContact O-SG 3.49Å; L912-C915 PolarHBondContact O-N 2.78Å |
| 916 | H | 92.8 | Very high | 94.8 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | trans | -137 | 65.3 | -171.9 | -63.5 | -102.6 | 0 | 0 | 0 | 112 | S897 P898 L912 K913 A918 K919 | S897-H916 PolarHBondContact O-NE2 2.85Å; S897-H916 PolarHBondContact OG-NE2 3.19Å; P898-H916 PolarHBondContact O-NE2 2.88Å; P898-H916 VanDerWaalsContact O-NE2 3.12Å; L912-H916 WeakPolarHBondContact O-CA 3.15Å; L912-H916 WeakPolarHBondContact O-CB 3.25Å; L912-H916 PolarHBondContact O-N 3.4Å; K913-H916 CarbonylContact O-C 3.5Å; H916-A918 PolarHBondContact O-N 2.85Å; H916-K919 HydrophobicContact CB-CB 4.49Å; H916-K919 HydrophobicContact CB-CD 3.52Å; H916-K919 HydrophobicContact CB-CG 3.82Å; H916-K919 VanDerWaalsContact ND1-CE 3.32Å; H916-K919 WeakPolarHBondContact ND1-CE 3.23Å; H916-K919 WeakPolarHBondContact O-CB 3.1Å; H916-K919 PolarHBondContact O-N 3.05Å | ||
| 917 | S | 90.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 58.8 Ų | 58.8 | 81% | 0.811 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -11.4 | -177.5 | 59.2 | 0 | 0 | 0 | 0 | 116 | K913 | K913-S917 WeakPolarHBondContact O-CA 3.39Å; K913-S917 PolarHBondContact O-N 3.07Å |
| 918 | A | 92.6 | Very high | 94.8 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 81% | 0.81 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H916 | H916-A918 PolarHBondContact O-N 2.85Š|
| 919 | K | 93 | Very high | 94.6 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 145.4 | 174.4 | -74.3 | 176.7 | -167 | -85.3 | 0 | 110.7 | D899 L912 H916 Y924 M943 | D899-K919 WeakPolarHBondContact O-CE 3.48Å; D899-K919 PolarHBondContact O-NZ 2.85Å; L912-K919 HydrophobicContact CD1-CD 3.71Å; L912-K919 HydrophobicContact CD2-CD 4.43Å; L912-K919 HydrophobicContact CG-CD 4.03Å; H916-K919 HydrophobicContact CB-CB 4.49Å; H916-K919 HydrophobicContact CB-CD 3.52Å; H916-K919 HydrophobicContact CB-CG 3.82Å; H916-K919 VanDerWaalsContact ND1-CE 3.32Å; H916-K919 WeakPolarHBondContact ND1-CE 3.23Å; H916-K919 WeakPolarHBondContact O-CB 3.1Å; H916-K919 PolarHBondContact O-N 3.05Å; K919-Y924 HydrophobicContact CD-CE1 4.07Å; K919-M943 HydrophobicContact CB-CE 3.87Å; K919-M943 HydrophobicContact CB-SD 4.32Å; K919-M943 HydrophobicContact CD-CE 4.43Å; K919-M943 WeakPolarHBondContact O-CG 3.26Å |
| 920 | Q | 95.6 | Very high | 94.4 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -96.9 | 157.8 | 179.4 | -65 | -179.7 | -7 | 0 | 0 | 110.7 | G922 Y924 M943 | Q920-G922 PolarHBondContact O-N 2.87Å; Q920-Y924 WeakPolarHBondContact O-CE2 3.24Å; Q920-Y924 PolarHBondContact O-OH 2.66Å; Q920-M943 VanDerWaalsContact C-CG 3.4Å; Q920-M943 WeakPolarHBondContact O-CG 3.42Å |
| 921 | S | 97 | Very high | 94.2 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -59 | 135.8 | 173.1 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | Y940 C941 N942 M943 | S921-Y940 WeakPolarHBondContact CB-OH 3.46Å; S921-C941 CarbonylContact C-O 3.11Å; S921-C941 VanDerWaalsContact CA-O 3.24Å; S921-C941 WeakPolarHBondContact CA-O 3.09Å; S921-N942 PolarHBondContact OG-OD1 2.65Å; S921-M943 PolarHBondContact OG-N 2.84Å |
| 922 | G | 96.1 | Very high | 94 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 19% | 0.186 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | -171.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q920 Y924 Y940 C941 | Q920-G922 PolarHBondContact O-N 2.87Å; G922-Y924 WeakPolarHBondContact O-CD2 3.39Å; G922-Y940 CarbonylContact O-C 3.52Å; G922-Y940 WeakPolarHBondContact O-CA 3.45Å; G922-C941 PolarHBondContact N-O 3.18Å; G922-C941 PolarHBondContact O-N 3.48Å |
| 923 | E | 96.3 | Very high | 93.8 | Very high | 128 Ų | 128 | 64.6 Ų | 64.6 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.4 | 178.9 | -59.9 | -169.9 | 113.4 | 0 | 0 | 112.2 | K938 V939 | E923-K938 VanDerWaalsContact CD-CE 3.43Å; E923-K938 VanDerWaalsContact OE1-CE 3.3Å; E923-K938 WeakPolarHBondContact OE1-CE 3.41Å; E923-K938 IonicContact OE1-NZ 2.65Å; E923-K938 PolarHBondContact OE1-NZ 3.42Å; E923-K938 WeakPolarHBondContact OE2-CE 3.26Å; E923-K938 IonicContact OE2-NZ 2.67Å; E923-K938 PolarHBondContact OE2-NZ 2.97Å; E923-V939 WeakPolarHBondContact CA-O 3.26Å |
| 924 | Y | 96.1 | Very high | 93.5 | Very high | 41 Ų | 41 | 70 Ų | 70 | 16% | 0.161 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 167.7 | 178 | -65.8 | -85.6 | 0 | 0 | 0 | 110.8 | L912 K919 Q920 G922 K938 V939 C941 M943 | L912-Y924 HydrophobicContact CD2-CD1 3.7Å; L912-Y924 HydrophobicContact CD2-CD2 4.27Å; L912-Y924 HydrophobicContact CD2-CE1 4.26Å; L912-Y924 HydrophobicContact CD2-CG 3.71Å; K919-Y924 HydrophobicContact CD-CE1 4.07Å; Q920-Y924 WeakPolarHBondContact O-CE2 3.24Å; Q920-Y924 PolarHBondContact O-OH 2.66Å; G922-Y924 WeakPolarHBondContact O-CD2 3.39Å; Y924-K938 WeakPolarHBondContact O-CA 3.49Å; Y924-V939 PolarHBondContact N-O 3.4Å; Y924-V939 PolarHBondContact O-N 3.05Å; Y924-C941 HydrophobicContact CD2-CB 3.72Å; Y924-C941 HydrophobicContact CE2-CB 4.3Å; Y924-M943 HydrophobicContact CD2-CE 3.79Å; Y924-M943 HydrophobicContact CE1-CE 4.36Å; Y924-M943 HydrophobicContact CE2-CE 3.33Å; Y924-M943 HydrophobicContact CG-CE 4.45Å |
| 925 | W | 95.6 | Very high | 93.5 | Very high | 48 Ų | 48 | 65.9 Ų | 65.9 | 18% | 0.182 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.2 | 170.1 | -67.8 | 75.1 | 0 | 0 | 0 | 109.6 | G900 K902 P905 A906 A936 I937 K938 | G900-W925 PolarHBondContact O-N 2.67Å; K902-W925 HydrophobicContact CB-CB 4.46Å; K902-W925 HydrophobicContact CB-CD2 3.74Å; K902-W925 HydrophobicContact CB-CE3 4.32Å; K902-W925 HydrophobicContact CB-CG 3.75Å; K902-W925 HydrophobicContact CD-CD2 3.96Å; K902-W925 HydrophobicContact CD-CE3 3.86Å; K902-W925 HydrophobicContact CD-CH2 3.71Å; K902-W925 HydrophobicContact CD-CZ2 3.77Å; K902-W925 HydrophobicContact CD-CZ3 3.74Å; K902-W925 HydrophobicContact CG-CD2 3.81Å; K902-W925 HydrophobicContact CG-CE3 3.88Å; K902-W925 HydrophobicContact CG-CG 4.29Å; K902-W925 HydrophobicContact CG-CZ2 4.5Å; K902-W925 HydrophobicContact CG-CZ3 4.27Å; P905-W925 WeakPolarHBondContact CA-O 3.09Å; P905-W925 HydrophobicContact CB-CB 4.23Å; P905-W925 WeakPolarHBondContact CB-O 3.1Å; A906-W925 PolarHBondContact N-O 2.84Å; W925-A936 VanDerWaalsContact CZ3-O 3.3Å; W925-A936 WeakPolarHBondContact CZ3-O 3.15Å; W925-I937 WeakPolarHBondContact CA-O 3.46Å; W925-K938 HydrophobicContact CD2-CB 4.1Å; W925-K938 HydrophobicContact CD2-CG 4.43Å; W925-K938 HydrophobicContact CE3-CB 4.24Å; W925-K938 HydrophobicContact CH2-CB 3.91Å; W925-K938 HydrophobicContact CZ2-CB 3.78Å; W925-K938 HydrophobicContact CZ2-CD 4.18Å; W925-K938 HydrophobicContact CZ2-CG 4.03Å; W925-K938 HydrophobicContact CZ3-CB 4.15Å |
| 926 | I | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.9 | 176.4 | 64.8 | 166.1 | 0 | 0 | 0 | 112.5 | A906 P928 A936 I937 V939 T948 L1003 | A906-I926 HydrophobicContact CB-CG2 4.45Å; A906-I926 CarbonylContact O-C 3.53Å; A906-I926 WeakPolarHBondContact O-CA 3.23Å; A906-I926 WeakPolarHBondContact O-CB 3.49Å; I926-P928 VanDerWaalsContact C-CD 3.49Å; I926-P928 HydrophobicContact CD1-CG 3.91Å; I926-P928 HydrophobicContact CG1-CG 4.28Å; I926-A936 CarbonylContact O-C 3.58Å; I926-A936 WeakPolarHBondContact O-CA 3.16Å; I926-A936 WeakPolarHBondContact O-CB 3.33Å; I926-I937 HydrophobicContact CG1-CD1 4.39Å; I926-I937 HydrophobicContact CG1-CG1 3.92Å; I926-I937 PolarHBondContact N-O 3Å; I926-I937 PolarHBondContact O-N 2.76Å; I926-V939 HydrophobicContact CB-CG2 4.41Å; I926-V939 HydrophobicContact CD1-CB 4.47Å; I926-V939 HydrophobicContact CD1-CG1 3.88Å; I926-V939 HydrophobicContact CD1-CG2 3.87Å; I926-V939 HydrophobicContact CG1-CB 4.45Å; I926-V939 HydrophobicContact CG1-CG1 3.84Å; I926-V939 HydrophobicContact CG1-CG2 3.72Å; I926-V939 HydrophobicContact CG2-CG2 3.92Å; I926-T948 HydrophobicContact CD1-CG2 3.32Å; I926-L1003 HydrophobicContact CD1-CD1 4.18Å; I926-L1003 HydrophobicContact CD1-CD2 4.17Å |
| 927 | D | 95.6 | Very high | 93.5 | Very high | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.064 | 36% | 0.356 | C | S | . | . | trans | -129.9 | 77.7 | 179.9 | -175.4 | 5.4 | 0 | 0 | 0 | 110.9 | P905 A906 N929 Q930 A936 Q999 | P905-D927 HydrophobicContact CB-CB 3.9Å; P905-D927 HydrophobicContact CG-CB 3.65Å; A906-D927 PolarHBondContact O-N 2.97Å; D927-N929 PolarHBondContact OD1-OD1 2.9Å; D927-Q930 VanDerWaalsContact OD1-CA 3.26Å; D927-Q930 WeakPolarHBondContact OD1-CA 3.42Å; D927-Q930 PolarHBondContact OD1-N 2.92Å; D927-Q930 WeakPolarHBondContact OD2-CA 3.39Å; D927-A936 HydrophobicContact CB-CB 4.09Å; D927-Q999 PolarHBondContact OD1-NE2 2.77Å | ||
| 928 | P | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -60 | -38.9 | 177.6 | -28.2 | 32.7 | 0 | 0 | 0 | 116 | R907 I926 Q999 F1002 L1003 L1006 | R907-P928 WeakPolarHBondContact O-CA 3.38Å; I926-P928 VanDerWaalsContact C-CD 3.49Å; I926-P928 HydrophobicContact CD1-CG 3.91Å; I926-P928 HydrophobicContact CG1-CG 4.28Å; P928-Q999 HydrophobicContact CG-CB 4.46Å; P928-F1002 HydrophobicContact CB-CB 3.69Å; P928-L1003 HydrophobicContact CB-CD2 4.38Å; P928-L1003 HydrophobicContact CB-CG 3.99Å; P928-L1003 HydrophobicContact CG-CD1 3.93Å; P928-L1003 HydrophobicContact CG-CD2 3.88Å; P928-L1003 HydrophobicContact CG-CG 3.56Å; P928-L1006 HydrophobicContact CB-CD1 4.4Å |
| 929 | N | 93.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -79.7 | -26.5 | -178.1 | 73.6 | 1.8 | 0 | 0 | 0 | 112.4 | D927 D935 Q999 F1002 | D927-N929 PolarHBondContact OD1-OD1 2.9Å; N929-D935 PolarHBondContact ND2-OD1 2.98Å; N929-D935 PolarHBondContact ND2-OD2 3.46Å; N929-D935 PolarHBondContact OD1-OD1 3.39Å; N929-Q999 VanDerWaalsContact CG-NE2 3.26Å; N929-Q999 PolarHBondContact ND2-NE2 2.6Å; N929-Q999 PolarHBondContact OD1-NE2 3.41Å; N929-Q999 PolarHBondContact OD1-OE1 2.85Å; N929-F1002 HydrophobicContact CB-CB 4.38Å; N929-F1002 HydrophobicContact CB-CD1 4.15Å; N929-F1002 HydrophobicContact CB-CD2 3.43Å; N929-F1002 VanDerWaalsContact CB-CD2 3.43Å; N929-F1002 HydrophobicContact CB-CE1 4.26Å; N929-F1002 HydrophobicContact CB-CE2 3.59Å; N929-F1002 HydrophobicContact CB-CG 3.73Å; N929-F1002 HydrophobicContact CB-CZ 4Å |
| 930 | Q | 91.9 | Very high | 93.9 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | trans | 65.4 | 166.4 | -176.6 | -50.3 | 178 | 7.8 | 0 | 0 | 113.7 | D927 | D927-Q930 VanDerWaalsContact OD1-CA 3.26Å; D927-Q930 WeakPolarHBondContact OD1-CA 3.42Å; D927-Q930 PolarHBondContact OD1-N 2.92Å; D927-Q930 WeakPolarHBondContact OD2-CA 3.39Å | ||
| 931 | G | 90.5 | Very high | 94 | Very high | 78 Ų | 78 | 50.2 Ų | 50.2 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 110.7 | -70.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 932 | S | 90.8 | Very high | 94 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | trans | -113 | 100.7 | 179.1 | -166 | 0 | 0 | 0 | 0 | 111.6 | E934 D935 | S932-E934 PolarHBondContact O-N 2.89Å; S932-D935 PolarHBondContact O-N 3.27Å | ||
| 933 | V | 91.2 | Very high | 94 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 38% | 0.382 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -6 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 114.8 | P905 D935 A936 | P905-V933 HydrophobicContact CG-CB 3.94Å; P905-V933 HydrophobicContact CG-CG1 3.71Å; V933-D935 VanDerWaalsContact C-N 3.34Å; V933-A936 WeakPolarHBondContact O-CB 3.43Å |
| 934 | E | 88.8 | Confident | 93.8 | Very high | 167 Ų | 167 | 51.6 Ų | 51.6 | 78% | 0.78 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -29.8 | 170.1 | -60.3 | -171.9 | 145.1 | 0 | 0 | 113 | S932 | S932-E934 PolarHBondContact O-N 2.89Š|
| 935 | D | 91 | Very high | 93.7 | Very high | 41 Ų | 41 | 52.6 Ų | 52.6 | 22% | 0.219 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -96.4 | 5.7 | 179.9 | 104.4 | -28.7 | 0 | 0 | 0 | 113.4 | N929 S932 V933 T995 Q999 | N929-D935 PolarHBondContact ND2-OD1 2.98Å; N929-D935 PolarHBondContact ND2-OD2 3.46Å; N929-D935 PolarHBondContact OD1-OD1 3.39Å; S932-D935 PolarHBondContact O-N 3.27Å; V933-D935 VanDerWaalsContact C-N 3.34Å; D935-T995 HydrophobicContact CB-CG2 3.62Å; D935-T995 WeakPolarHBondContact O-CG2 3.4Å; D935-Q999 PolarHBondContact O-NE2 3.19Å; D935-Q999 PolarHBondContact OD1-NE2 3.47Å |
| 936 | A | 92.9 | Very high | 93.6 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 5% | 0.05 | 27% | 0.273 | C | S | . | . | trans | -58.7 | 142 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P905 W925 I926 D927 V933 | P905-A936 HydrophobicContact CB-CB 3.94Å; P905-A936 HydrophobicContact CG-CB 3.89Å; W925-A936 VanDerWaalsContact CZ3-O 3.3Å; W925-A936 WeakPolarHBondContact CZ3-O 3.15Å; I926-A936 CarbonylContact O-C 3.58Å; I926-A936 WeakPolarHBondContact O-CA 3.16Å; I926-A936 WeakPolarHBondContact O-CB 3.33Å; D927-A936 HydrophobicContact CB-CB 4.09Å; V933-A936 WeakPolarHBondContact O-CB 3.43Å | ||
| 937 | I | 93.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141.4 | -176.6 | 51.9 | 166.5 | 0 | 0 | 0 | 112.3 | W925 I926 V939 I950 Q999 L1003 | W925-I937 WeakPolarHBondContact CA-O 3.46Å; I926-I937 HydrophobicContact CG1-CD1 4.39Å; I926-I937 HydrophobicContact CG1-CG1 3.92Å; I926-I937 PolarHBondContact N-O 3Å; I926-I937 PolarHBondContact O-N 2.76Å; I937-V939 HydrophobicContact CD1-CG1 3.9Å; I937-V939 HydrophobicContact CG1-CG1 4.08Å; I937-I950 HydrophobicContact CD1-CD1 3.93Å; I937-I950 HydrophobicContact CD1-CG1 4.39Å; I937-Q999 HydrophobicContact CD1-CB 3.85Å; I937-Q999 HydrophobicContact CG1-CB 4.14Å; I937-Q999 HydrophobicContact CG1-CG 4.41Å; I937-Q999 HydrophobicContact CG2-CB 4.23Å; I937-Q999 HydrophobicContact CG2-CG 4.11Å; I937-L1003 HydrophobicContact CD1-CD1 4.29Å |
| 938 | K | 93.6 | Very high | 93.8 | Very high | 86 Ų | 86 | 51.6 Ų | 51.6 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129 | 169.1 | -162.6 | -167.5 | -174.7 | -154.4 | 0 | 109.5 | E923 Y924 W925 | E923-K938 VanDerWaalsContact CD-CE 3.43Å; E923-K938 VanDerWaalsContact OE1-CE 3.3Å; E923-K938 WeakPolarHBondContact OE1-CE 3.41Å; E923-K938 IonicContact OE1-NZ 2.65Å; E923-K938 PolarHBondContact OE1-NZ 3.42Å; E923-K938 WeakPolarHBondContact OE2-CE 3.26Å; E923-K938 IonicContact OE2-NZ 2.67Å; E923-K938 PolarHBondContact OE2-NZ 2.97Å; Y924-K938 WeakPolarHBondContact O-CA 3.49Å; W925-K938 HydrophobicContact CD2-CB 4.1Å; W925-K938 HydrophobicContact CD2-CG 4.43Å; W925-K938 HydrophobicContact CE3-CB 4.24Å; W925-K938 HydrophobicContact CH2-CB 3.91Å; W925-K938 HydrophobicContact CZ2-CB 3.78Å; W925-K938 HydrophobicContact CZ2-CD 4.18Å; W925-K938 HydrophobicContact CZ2-CG 4.03Å; W925-K938 HydrophobicContact CZ3-CB 4.15Å |
| 939 | V | 95.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 162.4 | -178.1 | -61.3 | 0 | 0 | 0 | 0 | 110.8 | E923 Y924 I926 I937 T948 I950 | E923-V939 WeakPolarHBondContact CA-O 3.26Å; Y924-V939 PolarHBondContact N-O 3.4Å; Y924-V939 PolarHBondContact O-N 3.05Å; I926-V939 HydrophobicContact CB-CG2 4.41Å; I926-V939 HydrophobicContact CD1-CB 4.47Å; I926-V939 HydrophobicContact CD1-CG1 3.88Å; I926-V939 HydrophobicContact CD1-CG2 3.87Å; I926-V939 HydrophobicContact CG1-CB 4.45Å; I926-V939 HydrophobicContact CG1-CG1 3.84Å; I926-V939 HydrophobicContact CG1-CG2 3.72Å; I926-V939 HydrophobicContact CG2-CG2 3.92Å; I937-V939 HydrophobicContact CD1-CG1 3.9Å; I937-V939 HydrophobicContact CG1-CG1 4.08Å; V939-T948 HydrophobicContact CB-CG2 4.41Å; V939-T948 HydrophobicContact CG1-CG2 4.27Å; V939-T948 HydrophobicContact CG2-CG2 4.36Å; V939-I950 HydrophobicContact CG1-CG1 4.05Å |
| 940 | Y | 96.4 | Very high | 93.9 | Very high | 104 Ų | 104 | 50.3 Ų | 50.3 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.4 | 162.1 | -178.3 | -90.7 | 0 | 0 | 0 | 109 | S921 G922 N942 C949 | S921-Y940 WeakPolarHBondContact CB-OH 3.46Å; G922-Y940 CarbonylContact O-C 3.52Å; G922-Y940 WeakPolarHBondContact O-CA 3.45Å; Y940-N942 HydrophobicContact CE1-CB 4.3Å; Y940-C949 HydrophobicContact CD1-CB 4.4Å; Y940-C949 PolarHBondContact N-O 2.67Å; Y940-C949 WeakPolarHBondContact O-CB 3.38Å; Y940-C949 PolarHBondContact O-N 2.91Å |
| 941 | C | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.4 | 171.8 | -65.6 | 0 | 0 | 0 | 0 | 110.1 | C909 S921 G922 Y924 M943 | C909-C941 VanDerWaalsContact CA-SG 3.58Å; C909-C941 HydrophobicContact CB-CB 3.47Å; C909-C941 VanDerWaalsContact CB-CB 3.47Å; C909-C941 WeakPolarHBondContact CB-SG 3.4Å; C909-C941 WeakPolarHBondContact SG-CA 3.23Å; C909-C941 WeakPolarHBondContact SG-CB 3.35Å; C909-C941 CovalentContact SG-SG 2.03Å; C909-C941 PolarHBondContact SG-SG 3.02Å; S921-C941 CarbonylContact C-O 3.11Å; S921-C941 VanDerWaalsContact CA-O 3.24Å; S921-C941 WeakPolarHBondContact CA-O 3.09Å; G922-C941 PolarHBondContact N-O 3.18Å; G922-C941 PolarHBondContact O-N 3.48Å; Y924-C941 HydrophobicContact CD2-CB 3.72Å; Y924-C941 HydrophobicContact CE2-CB 4.3Å; C941-M943 HydrophobicContact CB-CE 3.85Å; C941-M943 HydrophobicContact CB-SD 4.47Å |
| 942 | N | 96.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | trans | -90.8 | 103 | 165.8 | -172.8 | 1.5 | 0 | 0 | 0 | 109.1 | S921 Y940 E944 T945 G946 E947 | S921-N942 PolarHBondContact OG-OD1 2.65Å; Y940-N942 HydrophobicContact CE1-CB 4.3Å; N942-E944 PolarHBondContact O-N 2.96Å; N942-E944 PolarHBondContact OD1-N 2.83Å; N942-T945 WeakPolarHBondContact CB-OG1 3.31Å; N942-T945 WeakPolarHBondContact ND2-CG2 3.42Å; N942-T945 PolarHBondContact ND2-OG1 2.63Å; N942-T945 PolarHBondContact O-N 3.1Å; N942-G946 WeakPolarHBondContact O-CA 3.38Å; N942-G946 PolarHBondContact O-N 3.3Å; N942-E947 HydrophobicContact CB-CB 4.17Å; N942-E947 PolarHBondContact N-O 3.04Å; N942-E947 PolarHBondContact ND2-OE2 3.3Å; N942-E947 VanDerWaalsContact ND2-OE2 3.14Å; N942-E947 PolarHBondContact O-N 3.01Å | ||
| 943 | M | 95.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -17 | -177.2 | -63.3 | -65.6 | 179.2 | 0 | 0 | 112.9 | L912 K913 K919 Q920 S921 Y924 C941 | L912-M943 HydrophobicContact CD2-CE 3.71Å; L912-M943 HydrophobicContact CG-CE 3.9Å; K913-M943 HydrophobicContact CB-SD 3.94Å; K913-M943 VanDerWaalsContact CD-O 3.22Å; K913-M943 WeakPolarHBondContact CD-O 3.34Å; K913-M943 WeakPolarHBondContact CE-O 3.46Å; K919-M943 HydrophobicContact CB-CE 3.87Å; K919-M943 HydrophobicContact CB-SD 4.32Å; K919-M943 HydrophobicContact CD-CE 4.43Å; K919-M943 WeakPolarHBondContact O-CG 3.26Å; Q920-M943 VanDerWaalsContact C-CG 3.4Å; Q920-M943 WeakPolarHBondContact O-CG 3.42Å; S921-M943 PolarHBondContact OG-N 2.84Å; Y924-M943 HydrophobicContact CD2-CE 3.79Å; Y924-M943 HydrophobicContact CE1-CE 4.36Å; Y924-M943 HydrophobicContact CE2-CE 3.33Å; Y924-M943 HydrophobicContact CG-CE 4.45Å; C941-M943 HydrophobicContact CB-CE 3.85Å; C941-M943 HydrophobicContact CB-SD 4.47Å |
| 944 | E | 93.5 | Very high | 94.2 | Very high | 165 Ų | 165 | 44.6 Ų | 44.6 | 77% | 0.771 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -49.5 | 174.4 | -60.7 | -179.2 | -173.5 | 0 | 0 | 110.6 | K913 N942 | K913-E944 PolarHBondContact NZ-O 3.33Å; N942-E944 PolarHBondContact O-N 2.96Å; N942-E944 PolarHBondContact OD1-N 2.83Å |
| 945 | T | 93.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -33.9 | -176.1 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | K913 N942 E947 | K913-T945 PolarHBondContact NZ-O 3.38Å; N942-T945 WeakPolarHBondContact CB-OG1 3.31Å; N942-T945 WeakPolarHBondContact ND2-CG2 3.42Å; N942-T945 PolarHBondContact ND2-OG1 2.63Å; N942-T945 PolarHBondContact O-N 3.1Å; T945-E947 VanDerWaalsContact CB-OE2 3.29Å; T945-E947 WeakPolarHBondContact CB-OE2 3.36Å; T945-E947 WeakPolarHBondContact CG2-OE2 3.17Å; T945-E947 WeakPolarHBondContact OG1-CB 3.3Å; T945-E947 VanDerWaalsContact OG1-CD 3.23Å; T945-E947 VanDerWaalsContact OG1-CG 3.24Å; T945-E947 WeakPolarHBondContact OG1-CG 3.32Å; T945-E947 PolarHBondContact OG1-N 2.97Å; T945-E947 VanDerWaalsContact OG1-N 3.15Å; T945-E947 PolarHBondContact OG1-OE2 2.91Å |
| 946 | G | 94.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | 98 | -3.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D910 N942 T948 | D910-G946 PolarHBondContact N-O 2.92Å; N942-G946 WeakPolarHBondContact O-CA 3.38Å; N942-G946 PolarHBondContact O-N 3.3Å; G946-T948 PolarHBondContact O-N 2.86Å | ||
| 947 | E | 96.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 41.2 Ų | 41.2 | 16% | 0.164 | 23% | 0.227 | C | C | . | . | trans | -63.1 | 132.5 | -173.2 | -70 | 158.8 | 134.7 | 0 | 0 | 112.9 | N942 T945 C1110 F1111 V1112 | N942-E947 HydrophobicContact CB-CB 4.17Å; N942-E947 PolarHBondContact N-O 3.04Å; N942-E947 PolarHBondContact ND2-OE2 3.3Å; N942-E947 VanDerWaalsContact ND2-OE2 3.14Å; N942-E947 PolarHBondContact O-N 3.01Å; T945-E947 VanDerWaalsContact CB-OE2 3.29Å; T945-E947 WeakPolarHBondContact CB-OE2 3.36Å; T945-E947 WeakPolarHBondContact CG2-OE2 3.17Å; T945-E947 WeakPolarHBondContact OG1-CB 3.3Å; T945-E947 VanDerWaalsContact OG1-CD 3.23Å; T945-E947 VanDerWaalsContact OG1-CG 3.24Å; T945-E947 WeakPolarHBondContact OG1-CG 3.32Å; T945-E947 PolarHBondContact OG1-N 2.97Å; T945-E947 VanDerWaalsContact OG1-N 3.15Å; T945-E947 PolarHBondContact OG1-OE2 2.91Å; E947-C1110 HydrophobicContact CB-CB 4.43Å; E947-F1111 WeakPolarHBondContact CA-O 3.34Å; E947-V1112 HydrophobicContact CG-CB 3.96Å; E947-V1112 HydrophobicContact CG-CG1 4.26Å; E947-V1112 HydrophobicContact CG-CG2 4.45Å | ||
| 948 | T | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 105.6 | 172.2 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | C909 I926 V939 G946 L1003 C1110 F1111 | C909-T948 VanDerWaalsContact CB-OG1 3.27Å; C909-T948 WeakPolarHBondContact CB-OG1 3.24Å; C909-T948 PolarHBondContact N-OG1 2.95Å; C909-T948 VanDerWaalsContact N-OG1 3.13Å; C909-T948 PolarHBondContact SG-OG1 2.79Å; I926-T948 HydrophobicContact CD1-CG2 3.32Å; V939-T948 HydrophobicContact CB-CG2 4.41Å; V939-T948 HydrophobicContact CG1-CG2 4.27Å; V939-T948 HydrophobicContact CG2-CG2 4.36Å; G946-T948 PolarHBondContact O-N 2.86Å; T948-L1003 HydrophobicContact CG2-CD1 3.88Å; T948-L1003 HydrophobicContact CG2-CD2 3.82Å; T948-C1110 CarbonylContact O-C 3.54Å; T948-C1110 VanDerWaalsContact O-CA 3.32Å; T948-C1110 WeakPolarHBondContact O-CA 3.49Å; T948-F1111 PolarHBondContact N-O 2.9Å; T948-F1111 PolarHBondContact O-N 3.46Å |
| 949 | C | 96.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 5% | 0.054 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.6 | -174.7 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | Y940 P1108 V1109 C1110 | Y940-C949 HydrophobicContact CD1-CB 4.4Å; Y940-C949 PolarHBondContact N-O 2.67Å; Y940-C949 WeakPolarHBondContact O-CB 3.38Å; Y940-C949 PolarHBondContact O-N 2.91Å; C949-P1108 HydrophobicContact CB-CB 4.11Å; C949-P1108 HydrophobicContact CB-CG 4.41Å; C949-V1109 CarbonylContact C-O 3.57Å; C949-V1109 WeakPolarHBondContact CA-O 3.49Å; C949-C1110 HydrophobicContact CB-CB 4.18Å; C949-C1110 WeakPolarHBondContact CB-SG 3.45Å; C949-C1110 WeakPolarHBondContact SG-CB 3.19Å; C949-C1110 CovalentContact SG-SG 2.05Å; C949-C1110 PolarHBondContact SG-SG 3.23Å |
| 950 | I | 95.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.9 | 177.6 | -45.6 | 177.8 | 0 | 0 | 0 | 109.8 | I937 V939 M1000 L1003 P1108 V1109 F1111 | I937-I950 HydrophobicContact CD1-CD1 3.93Å; I937-I950 HydrophobicContact CD1-CG1 4.39Å; V939-I950 HydrophobicContact CG1-CG1 4.05Å; I950-M1000 HydrophobicContact CD1-CB 4.16Å; I950-M1000 HydrophobicContact CD1-CG 4.12Å; I950-M1000 HydrophobicContact CD1-SD 4.15Å; I950-L1003 HydrophobicContact CD1-CD1 3.8Å; I950-L1003 HydrophobicContact CG1-CD1 4.46Å; I950-P1108 CarbonylContact O-C 3.14Å; I950-P1108 WeakPolarHBondContact O-CA 3.39Å; I950-P1108 WeakPolarHBondContact O-CB 3.38Å; I950-V1109 HydrophobicContact CB-CG1 4Å; I950-V1109 PolarHBondContact N-O 3.46Å; I950-V1109 PolarHBondContact O-N 3.49Å; I950-F1111 HydrophobicContact CD1-CE2 4.12Å |
| 951 | S | 93.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 145.6 | 176.1 | -59.6 | 0 | 0 | 0 | 0 | 113 | G988 | S951-G988 PolarHBondContact O-N 2.93Š|
| 952 | A | 93.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 150 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S955 A986 Y987 I1106 | A952-S955 WeakPolarHBondContact O-CA 3.18Å; A952-S955 WeakPolarHBondContact O-CB 3.25Å; A952-S955 PolarHBondContact O-N 2.9Å; A952-A986 CarbonylContact C-O 3.6Å; A952-A986 WeakPolarHBondContact CA-O 3.34Å; A952-Y987 HydrophobicContact CB-CD1 3.95Å; A952-Y987 HydrophobicContact CB-CE1 3.6Å; A952-I1106 HydrophobicContact CB-CB 3.72Å; A952-I1106 HydrophobicContact CB-CD1 4.47Å; A952-I1106 HydrophobicContact CB-CG2 3.38Å |
| 953 | N | 90.9 | Very high | 94.2 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -142.2 | 109.9 | 178.7 | -172.1 | 1.8 | 0 | 0 | 0 | 110.9 | A986 G988 H990 | N953-A986 PolarHBondContact N-O 2.84Å; N953-G988 VanDerWaalsContact CB-O 3.23Å; N953-G988 WeakPolarHBondContact CB-O 3.43Å; N953-G988 PolarHBondContact ND2-O 2.91Å; N953-H990 PolarHBondContact ND2-CD2 3.33Å; N953-H990 PolarHBondContact ND2-CE1 2.76Å; N953-H990 PolarHBondContact ND2-ND1 3.22Å; N953-H990 PolarHBondContact ND2-NE2 3.13Å; N953-H990 PolarHBondContact OD1-CE1 3.2Å; N953-H990 PolarHBondContact OD1-NE2 3.05Å |
| 954 | P | 92.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 51% | 0.506 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -65.6 | 146.8 | -3.2 | 29.5 | -36 | 0 | 0 | 0 | 111.9 | S956 | P954-S956 PolarHBondContact O-N 2.87Š|
| 955 | S | 92.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 46 Ų | 46 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | trans | -77.9 | -4.2 | 178.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | A952 I1106 | A952-S955 WeakPolarHBondContact O-CA 3.18Å; A952-S955 WeakPolarHBondContact O-CB 3.25Å; A952-S955 PolarHBondContact O-N 2.9Å; S955-I1106 PolarHBondContact O-N 3.4Å | ||
| 956 | S | 95.2 | Very high | 92.5 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 151.7 | 177.6 | 59 | 0 | 0 | 0 | 0 | 113.6 | P954 V1104 | P954-S956 PolarHBondContact O-N 2.87Å; S956-V1104 CarbonylContact C-O 3.56Å; S956-V1104 WeakPolarHBondContact CA-O 3.31Å; S956-V1104 WeakPolarHBondContact CB-O 3.38Å |
| 957 | V | 95.9 | Very high | 91.3 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.3 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 107.6 | W962 Y975 F985 G1103 V1104 I1106 | V957-W962 HydrophobicContact CG1-CH2 4.14Å; V957-W962 HydrophobicContact CG1-CZ2 3.31Å; V957-Y975 HydrophobicContact CG1-CD2 4.27Å; V957-Y975 HydrophobicContact CG1-CE1 4.29Å; V957-Y975 HydrophobicContact CG1-CE2 3.49Å; V957-Y975 VanDerWaalsContact CG1-CE2 3.49Å; V957-Y975 HydrophobicContact CG2-CE1 3.77Å; V957-Y975 HydrophobicContact CG2-CE2 4.47Å; V957-F985 HydrophobicContact CG2-CE1 3.95Å; V957-G1103 CarbonylContact O-C 3.58Å; V957-G1103 VanDerWaalsContact O-CA 3.24Å; V957-G1103 WeakPolarHBondContact O-CA 3.49Å; V957-V1104 HydrophobicContact CB-CB 3.84Å; V957-V1104 HydrophobicContact CB-CG2 4.07Å; V957-V1104 HydrophobicContact CG1-CG2 4.45Å; V957-V1104 HydrophobicContact CG2-CB 4.01Å; V957-V1104 HydrophobicContact CG2-CG2 4.29Å; V957-V1104 PolarHBondContact N-O 2.87Å; V957-V1104 PolarHBondContact O-N 2.84Å; V957-I1106 HydrophobicContact CG2-CD1 4.34Å |
| 958 | P | 95.3 | Very high | 89.9 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 139.8 | -172.4 | 23.3 | -33.4 | 0 | 0 | 0 | 112.7 | K960 W962 | P958-K960 PolarHBondContact O-N 2.82Å; P958-W962 HydrophobicContact CG-CH2 4.45Å; P958-W962 HydrophobicContact CG-CZ2 3.94Å; P958-W962 PolarHBondContact O-NE1 3.5Å |
| 959 | R | 94.8 | Very high | 88.5 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 114 | -176.7 | -167.6 | -173.5 | 68 | 71.2 | 14.9 | 111.7 | I1017 E1101 F1102 | R959-I1017 HydrophobicContact CG-CG2 4.35Å; R959-E1101 IonicContact CZ-OE2 2.7Å; R959-E1101 IonicContact NH1-OE2 2.64Å; R959-E1101 PolarHBondContact NH1-OE2 3.36Å; R959-E1101 IonicContact NH2-OE2 3.31Å; R959-E1101 PolarHBondContact NH2-OE2 2.9Å; R959-F1102 VanDerWaalsContact CA-O 3.3Å; R959-F1102 WeakPolarHBondContact CA-O 3.37Å |
| 960 | K | 94.2 | Very high | 87.7 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 34% | 0.343 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 177.4 | 175.5 | 61.7 | 174.8 | 177.1 | 177.1 | 0 | 111.3 | P958 W962 E1101 F1102 | P958-K960 PolarHBondContact O-N 2.82Å; K960-W962 HydrophobicContact CD-CD2 4.37Å; K960-W962 HydrophobicContact CD-CZ2 4.38Å; K960-W962 VanDerWaalsContact CE-CZ3 3.41Å; K960-W962 HydrophobicContact CG-CD2 4.16Å; K960-W962 HydrophobicContact CG-CG 4.19Å; K960-W962 HydrophobicContact CG-CZ2 4.38Å; K960-W962 VanDerWaalsContact O-CD1 3.3Å; K960-W962 PolarHBondContact O-N 2.93Å; K960-E1101 WeakPolarHBondContact O-CA 3.22Å; K960-F1102 PolarHBondContact N-O 2.89Å; K960-F1102 PolarHBondContact O-N 3.06Å; K960-F1102 VanDerWaalsContact O-O 3.08Å |
| 961 | T | 93.6 | Very high | 87.4 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | trans | -73.2 | 103.8 | 164.6 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | W963 Q1100 E1101 | T961-W963 WeakPolarHBondContact CG2-O 3.17Å; T961-Q1100 WeakPolarHBondContact CA-O 3.14Å; T961-Q1100 WeakPolarHBondContact CB-O 3.44Å; T961-Q1100 WeakPolarHBondContact CG2-O 3.35Å; T961-Q1100 PolarHBondContact OG1-O 2.95Å; T961-E1101 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 962 | W | 92.8 | Very high | 87.4 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 10% | 0.095 | 41% | 0.41 | C | S | . | . | trans | -87.3 | -28.2 | 176.7 | -71.5 | 94.1 | 0 | 0 | 0 | 113.4 | V957 P958 K960 Y975 M979 F1102 | V957-W962 HydrophobicContact CG1-CH2 4.14Å; V957-W962 HydrophobicContact CG1-CZ2 3.31Å; P958-W962 HydrophobicContact CG-CH2 4.45Å; P958-W962 HydrophobicContact CG-CZ2 3.94Å; P958-W962 PolarHBondContact O-NE1 3.5Å; K960-W962 HydrophobicContact CD-CD2 4.37Å; K960-W962 HydrophobicContact CD-CZ2 4.38Å; K960-W962 VanDerWaalsContact CE-CZ3 3.41Å; K960-W962 HydrophobicContact CG-CD2 4.16Å; K960-W962 HydrophobicContact CG-CG 4.19Å; K960-W962 HydrophobicContact CG-CZ2 4.38Å; K960-W962 VanDerWaalsContact O-CD1 3.3Å; K960-W962 PolarHBondContact O-N 2.93Å; W962-Y975 HydrophobicContact CD2-CD2 4.31Å; W962-Y975 AromaticContact CD2-CE2 3.79Å; W962-Y975 HydrophobicContact CD2-CE2 3.79Å; W962-Y975 AromaticContact CE2-CE2 3.85Å; W962-Y975 HydrophobicContact CE3-CD2 4.37Å; W962-Y975 AromaticContact CE3-CE2 3.7Å; W962-Y975 HydrophobicContact CE3-CE2 3.7Å; W962-Y975 AromaticContact CH2-CE2 3.71Å; W962-Y975 HydrophobicContact CH2-CE2 3.71Å; W962-Y975 WeakPolarHBondContact CH2-OH 3.37Å; W962-Y975 AromaticContact CZ2-CE2 3.83Å; W962-Y975 HydrophobicContact CZ2-CE2 3.83Å; W962-Y975 AromaticContact CZ3-CE2 3.65Å; W962-Y975 HydrophobicContact CZ3-CE2 3.65Å; W962-M979 HydrophobicContact CB-SD 3.55Å; W962-M979 VanDerWaalsContact CB-SD 3.55Å; W962-F1102 HydrophobicContact CB-CE1 3.72Å; W962-F1102 HydrophobicContact CB-CZ 3.91Å; W962-F1102 AromaticContact CD1-CE1 3.85Å; W962-F1102 AromaticContact CD1-CE2 3.93Å; W962-F1102 AromaticContact CD1-CZ 3.76Å; W962-F1102 HydrophobicContact CG-CE1 4.08Å; W962-F1102 HydrophobicContact CG-CE2 4.48Å; W962-F1102 AromaticContact CG-CZ 3.96Å; W962-F1102 HydrophobicContact CG-CZ 3.96Å; W962-F1102 PolarHBondContact NE1-O 3.45Å | ||
| 963 | W | 91.1 | Very high | 87.4 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | trans | -133.4 | 136.8 | -175.6 | -174.2 | -113.5 | 0 | 0 | 0 | 111 | T961 V973 D978 M979 V1095 | T961-W963 WeakPolarHBondContact CG2-O 3.17Å; W963-V973 HydrophobicContact CD2-CG1 3.93Å; W963-V973 HydrophobicContact CE3-CG1 4.25Å; W963-V973 HydrophobicContact CG-CG1 4.21Å; W963-V973 HydrophobicContact CZ2-CG1 4.4Å; W963-D978 WeakPolarHBondContact CZ3-O 3.45Å; W963-M979 HydrophobicContact CB-CE 4.09Å; W963-M979 HydrophobicContact CB-CG 4.37Å; W963-M979 HydrophobicContact CB-SD 3.96Å; W963-M979 HydrophobicContact CE3-CG 4.28Å; W963-V1095 HydrophobicContact CB-CG2 4.44Å | ||
| 964 | A | 88.3 | Confident | 87.6 | Confident | 68 Ų | 68 | 74.3 Ų | 74.3 | 56% | 0.562 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -136.1 | 126.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G1096 | A964-G1096 CarbonylContact C-O 3.56Å; A964-G1096 WeakPolarHBondContact CA-O 3.27Å |
| 965 | S | 84.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | trans | -122.3 | 148 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | S967 G1096 | S965-S967 VanDerWaalsContact C-N 3.35Å; S965-S967 WeakPolarHBondContact CB-O 3.3Å; S965-S967 PolarHBondContact OG-N 2.83Å; S965-S967 VanDerWaalsContact OG-N 3.12Å; S965-S967 PolarHBondContact OG-O 2.05Å; S965-S967 PolarHBondContact OG-OG 2.93Å; S965-G1096 PolarHBondContact N-O 3.02Å | ||
| 966 | K | 74.3 | Confident | 87.8 | Confident | 221 Ų | 221 | 68.6 Ų | 68.6 | 96% | 0.961 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -85.3 | -10.5 | 170.1 | -62.1 | -170.3 | -178.2 | -175.5 | 0 | 112.8 | ||
| 967 | S | 70.2 | Confident | 87.6 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -122.2 | 132.6 | 176.2 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | S965 D969 | S965-S967 VanDerWaalsContact C-N 3.35Å; S965-S967 WeakPolarHBondContact CB-O 3.3Å; S965-S967 PolarHBondContact OG-N 2.83Å; S965-S967 VanDerWaalsContact OG-N 3.12Å; S965-S967 PolarHBondContact OG-O 2.05Å; S965-S967 PolarHBondContact OG-OG 2.93Å; S967-D969 WeakPolarHBondContact CB-OD2 2.98Å; S967-D969 PolarHBondContact O-N 2.93Å; S967-D969 PolarHBondContact OG-OD2 2.91Å |
| 968 | P | 65.7 | Low | 87.4 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 83% | 0.831 | 39% | 0.393 | S | S | * | . | trans | -79.9 | 58.1 | 176.7 | 34.6 | -36 | 0 | 0 | 0 | 111 | N970 | P968-N970 PolarHBondContact O-N 3.48Š| ||
| 969 | D | 69.2 | Low | 87.2 | Confident | 73 Ų | 73 | 70 Ų | 70 | 39% | 0.39 | 37% | 0.369 | S | S | . | . | trans | -71.2 | 106.8 | 171.1 | -77.2 | -87.6 | 0 | 0 | 0 | 109.5 | S967 K971 | S967-D969 WeakPolarHBondContact CB-OD2 2.98Å; S967-D969 PolarHBondContact O-N 2.93Å; S967-D969 PolarHBondContact OG-OD2 2.91Å; D969-K971 HydrophobicContact CB-CD 4.02Å; D969-K971 HydrophobicContact CB-CG 4.24Å; D969-K971 PolarHBondContact O-N 2.86Å; D969-K971 WeakPolarHBondContact OD1-CE 3.48Å; D969-K971 IonicContact OD1-NZ 3.92Å; D969-K971 PolarHBondContact OD1-NZ 3.47Å | ||
| 970 | N | 78.6 | Confident | 86.8 | Confident | 103 Ų | 103 | 71.9 Ų | 71.9 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | trans | -71.8 | 68.6 | 171.1 | -60.6 | -75 | 0 | 0 | 0 | 110.3 | P968 V1093 | P968-N970 PolarHBondContact O-N 3.48Å; N970-V1093 HydrophobicContact CB-CG1 4.21Å | ||
| 971 | K | 89.3 | Confident | 86.5 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 53% | 0.53 | 41% | 0.411 | S | S | . | . | trans | -118 | 143.3 | 178.1 | -69.3 | 171.3 | -178.7 | 150.4 | 0 | 108.7 | D969 V973 | D969-K971 HydrophobicContact CB-CD 4.02Å; D969-K971 HydrophobicContact CB-CG 4.24Å; D969-K971 PolarHBondContact O-N 2.86Å; D969-K971 WeakPolarHBondContact OD1-CE 3.48Å; D969-K971 IonicContact OD1-NZ 3.92Å; D969-K971 PolarHBondContact OD1-NZ 3.47Å; K971-V973 PolarHBondContact O-N 3.44Å | ||
| 972 | P | 92.9 | Very high | 86.2 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 41% | 0.409 | 40% | 0.404 | S | S | . | . | trans | -60.7 | 130 | 168.7 | 26.3 | -32.6 | 0 | 0 | 0 | 109.4 | V1037 A1091 V1093 | P972-V1037 HydrophobicContact CB-CG2 4.31Å; P972-A1091 HydrophobicContact CB-CB 3.74Å; P972-V1093 HydrophobicContact CB-CG2 4.06Å | ||
| 973 | V | 94.4 | Very high | 86.2 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 11% | 0.109 | 42% | 0.42 | C | S | . | . | trans | -116.6 | 117.8 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | W963 K971 D978 M979 A1091 P1092 V1095 | W963-V973 HydrophobicContact CD2-CG1 3.93Å; W963-V973 HydrophobicContact CE3-CG1 4.25Å; W963-V973 HydrophobicContact CG-CG1 4.21Å; W963-V973 HydrophobicContact CZ2-CG1 4.4Å; K971-V973 PolarHBondContact O-N 3.44Å; V973-D978 HydrophobicContact CG1-CB 3.58Å; V973-M979 HydrophobicContact CB-CE 3.93Å; V973-M979 HydrophobicContact CG1-CE 3.73Å; V973-M979 HydrophobicContact CG1-CG 3.98Å; V973-M979 VanDerWaalsContact O-CE 3.27Å; V973-M979 WeakPolarHBondContact O-CE 3.26Å; V973-A1091 VanDerWaalsContact O-CA 3.24Å; V973-A1091 WeakPolarHBondContact O-CA 3.43Å; V973-A1091 WeakPolarHBondContact O-CB 3.39Å; V973-P1092 PolarHBondContact N-O 2.8Å; V973-P1092 WeakPolarHBondContact O-CD 3.5Å; V973-V1095 HydrophobicContact CB-CG2 4.42Å; V973-V1095 HydrophobicContact CG2-CG2 4.49Å | ||
| 974 | W | 95.7 | Very high | 86.3 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | trans | -72.8 | 128.7 | -174.7 | -69.7 | 104.9 | 0 | 0 | 0 | 112.2 | L977 D978 M979 V1037 K1039 D1045 D1089 A1091 | W974-L977 HydrophobicContact CB-CB 3.91Å; W974-L977 HydrophobicContact CB-CD1 4.43Å; W974-L977 HydrophobicContact CB-CG 4.44Å; W974-L977 HydrophobicContact CG-CD1 4.36Å; W974-D978 WeakPolarHBondContact CB-OD2 3.06Å; W974-D978 PolarHBondContact N-OD2 2.84Å; W974-D978 WeakPolarHBondContact O-CB 3.43Å; W974-D978 PolarHBondContact O-N 2.83Å; W974-M979 PolarHBondContact O-N 3.04Å; W974-V1037 HydrophobicContact CH2-CB 4.45Å; W974-V1037 HydrophobicContact CH2-CG1 3.75Å; W974-V1037 HydrophobicContact CZ2-CG1 4.27Å; W974-K1039 HydrophobicContact CE3-CB 4.43Å; W974-K1039 HydrophobicContact CH2-CB 3.69Å; W974-K1039 HydrophobicContact CH2-CD 4.28Å; W974-K1039 HydrophobicContact CH2-CG 3.89Å; W974-K1039 HydrophobicContact CZ2-CG 4.45Å; W974-K1039 HydrophobicContact CZ3-CB 3.58Å; W974-K1039 HydrophobicContact CZ3-CD 4.43Å; W974-K1039 HydrophobicContact CZ3-CG 4.19Å; W974-D1045 WeakPolarHBondContact CZ2-OD1 3.3Å; W974-D1089 HydrophobicContact CE3-CB 3.86Å; W974-D1089 HydrophobicContact CZ3-CB 4.17Å; W974-A1091 HydrophobicContact CD2-CB 3.65Å; W974-A1091 HydrophobicContact CE3-CB 3.49Å; W974-A1091 VanDerWaalsContact CE3-CB 3.49Å; W974-A1091 HydrophobicContact CG-CB 4.13Å; W974-A1091 HydrophobicContact CH2-CB 4.34Å; W974-A1091 HydrophobicContact CZ2-CB 4.47Å; W974-A1091 HydrophobicContact CZ3-CB 3.83Å | ||
| 975 | Y | 95.6 | Very high | 86.6 | Confident | 12 Ų | 12 | 77 Ų | 77 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.9 | -52 | 175.2 | 170.1 | -105.4 | 0 | 0 | 0 | 111.5 | V957 W962 L977 G982 S983 F985 D1089 L1090 F1102 | V957-Y975 HydrophobicContact CG1-CD2 4.27Å; V957-Y975 HydrophobicContact CG1-CE1 4.29Å; V957-Y975 HydrophobicContact CG1-CE2 3.49Å; V957-Y975 VanDerWaalsContact CG1-CE2 3.49Å; V957-Y975 HydrophobicContact CG2-CE1 3.77Å; V957-Y975 HydrophobicContact CG2-CE2 4.47Å; W962-Y975 HydrophobicContact CD2-CD2 4.31Å; W962-Y975 AromaticContact CD2-CE2 3.79Å; W962-Y975 HydrophobicContact CD2-CE2 3.79Å; W962-Y975 AromaticContact CE2-CE2 3.85Å; W962-Y975 HydrophobicContact CE3-CD2 4.37Å; W962-Y975 AromaticContact CE3-CE2 3.7Å; W962-Y975 HydrophobicContact CE3-CE2 3.7Å; W962-Y975 AromaticContact CH2-CE2 3.71Å; W962-Y975 HydrophobicContact CH2-CE2 3.71Å; W962-Y975 WeakPolarHBondContact CH2-OH 3.37Å; W962-Y975 AromaticContact CZ2-CE2 3.83Å; W962-Y975 HydrophobicContact CZ2-CE2 3.83Å; W962-Y975 AromaticContact CZ3-CE2 3.65Å; W962-Y975 HydrophobicContact CZ3-CE2 3.65Å; Y975-L977 PolarHBondContact O-N 3.49Å; Y975-G982 WeakPolarHBondContact O-CA 3.04Å; Y975-S983 WeakPolarHBondContact CD1-O 2.96Å; Y975-S983 WeakPolarHBondContact CE1-O 3.35Å; Y975-F985 AromaticContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CZ 4.26Å; Y975-F985 AromaticContact CE1-CE1 3.84Å; Y975-F985 HydrophobicContact CE1-CE1 3.84Å; Y975-D1089 PolarHBondContact N-OD1 2.87Å; Y975-L1090 VanDerWaalsContact CB-O 3.23Å; Y975-L1090 WeakPolarHBondContact CB-O 3.35Å; Y975-L1090 PolarHBondContact N-O 2.96Å; Y975-F1102 HydrophobicContact CD2-CE2 4.39Å; Y975-F1102 HydrophobicContact CD2-CZ 4.3Å |
| 976 | G | 92.9 | Very high | 86.9 | Confident | 18 Ų | 18 | 77.1 Ų | 77.1 | 19% | 0.186 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -77.5 | -15.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | D1089 | G976-D1089 VanDerWaalsContact CA-OD2 3.26Å; G976-D1089 WeakPolarHBondContact CA-OD2 3.45Å; G976-D1089 VanDerWaalsContact N-CG 3.35Å; G976-D1089 PolarHBondContact N-OD1 3.45Å; G976-D1089 PolarHBondContact N-OD2 2.82Å |
| 977 | L | 90.1 | Very high | 87.8 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -117.7 | -40.7 | -174.3 | -61.2 | 170.9 | 0 | 0 | 0 | 114 | W974 Y975 | W974-L977 HydrophobicContact CB-CB 3.91Å; W974-L977 HydrophobicContact CB-CD1 4.43Å; W974-L977 HydrophobicContact CB-CG 4.44Å; W974-L977 HydrophobicContact CG-CD1 4.36Å; Y975-L977 PolarHBondContact O-N 3.49Å |
| 978 | D | 91.1 | Very high | 88.6 | Confident | 74 Ų | 74 | 65.5 Ų | 65.5 | 40% | 0.396 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -101.5 | -24.2 | -172.7 | -60.2 | -46.4 | 0 | 0 | 0 | 113.3 | W963 V973 W974 | W963-D978 WeakPolarHBondContact CZ3-O 3.45Å; V973-D978 HydrophobicContact CG1-CB 3.58Å; W974-D978 WeakPolarHBondContact CB-OD2 3.06Å; W974-D978 PolarHBondContact N-OD2 2.84Å; W974-D978 WeakPolarHBondContact O-CB 3.43Å; W974-D978 PolarHBondContact O-N 2.83Å |
| 979 | M | 92.3 | Very high | 89.3 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -94.1 | 135.6 | -172.7 | -58.8 | -165.8 | -165.8 | 0 | 0 | 113.9 | W962 W963 V973 W974 R981 G982 P1092 V1095 F1102 | W962-M979 HydrophobicContact CB-SD 3.55Å; W962-M979 VanDerWaalsContact CB-SD 3.55Å; W963-M979 HydrophobicContact CB-CE 4.09Å; W963-M979 HydrophobicContact CB-CG 4.37Å; W963-M979 HydrophobicContact CB-SD 3.96Å; W963-M979 HydrophobicContact CE3-CG 4.28Å; V973-M979 HydrophobicContact CB-CE 3.93Å; V973-M979 HydrophobicContact CG1-CE 3.73Å; V973-M979 HydrophobicContact CG1-CG 3.98Å; V973-M979 VanDerWaalsContact O-CE 3.27Å; V973-M979 WeakPolarHBondContact O-CE 3.26Å; W974-M979 PolarHBondContact O-N 3.04Å; M979-R981 PolarHBondContact O-N 3.3Å; M979-G982 PolarHBondContact O-N 3.14Å; M979-P1092 HydrophobicContact CE-CG 3.91Å; M979-V1095 HydrophobicContact CE-CG2 4.29Å; M979-F1102 HydrophobicContact CE-CE1 3.82Å; M979-F1102 HydrophobicContact CE-CZ 3.81Å; M979-F1102 HydrophobicContact SD-CE1 3.77Å; M979-F1102 HydrophobicContact SD-CZ 3.6Å |
| 980 | N | 86.2 | Confident | 89 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 119.5 | 179 | -77.8 | -51.4 | 0 | 0 | 0 | 112.2 | G982 | N980-G982 PolarHBondContact O-N 3.27Š|
| 981 | R | 87.8 | Confident | 88.3 | Confident | 226 Ų | 226 | 68.6 Ų | 68.6 | 85% | 0.853 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 16.2 | -175.4 | -48.3 | 171 | 174.6 | -98.6 | 1.9 | 114.8 | M979 | M979-R981 PolarHBondContact O-N 3.3Š|
| 982 | G | 88.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 65 Ų | 65 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -72.9 | 167.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y975 M979 N980 | Y975-G982 WeakPolarHBondContact O-CA 3.04Å; M979-G982 PolarHBondContact O-N 3.14Å; N980-G982 PolarHBondContact O-N 3.27Å | ||
| 983 | S | 92.1 | Very high | 86.2 | Confident | 60 Ų | 60 | 65.3 Ų | 65.3 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | trans | -155.7 | 150.5 | 176.7 | 63 | 0 | 0 | 0 | 0 | 109.7 | Y975 | Y975-S983 WeakPolarHBondContact CD1-O 2.96Å; Y975-S983 WeakPolarHBondContact CE1-O 3.35Å | ||
| 984 | Q | 93.1 | Very high | 85.5 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 154 | 170.7 | -69.6 | -176.7 | -26.5 | 0 | 0 | 111.4 | I1088 D1089 | Q984-I1088 CarbonylContact C-O 3.42Å; Q984-I1088 VanDerWaalsContact CA-O 3.25Å; Q984-I1088 WeakPolarHBondContact CA-O 3.35Å; Q984-I1088 VanDerWaalsContact CB-O 3.31Å; Q984-I1088 WeakPolarHBondContact CB-O 3.41Å; Q984-D1089 HydrophobicContact CG-CB 4.49Å |
| 985 | F | 93.8 | Very high | 84.9 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 7% | 0.07 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 122.2 | -177.1 | -50 | -35.8 | 0 | 0 | 0 | 110.6 | V957 Y975 Y987 I1014 I1087 I1088 L1090 I1106 | V957-F985 HydrophobicContact CG2-CE1 3.95Å; Y975-F985 AromaticContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CZ 4.26Å; Y975-F985 AromaticContact CE1-CE1 3.84Å; Y975-F985 HydrophobicContact CE1-CE1 3.84Å; F985-Y987 HydrophobicContact CB-CE2 4.01Å; F985-Y987 WeakPolarHBondContact O-CE2 3.36Å; F985-I1014 HydrophobicContact CD2-CD1 4.39Å; F985-I1014 HydrophobicContact CE2-CD1 3.72Å; F985-I1014 HydrophobicContact CZ-CD1 4.41Å; F985-I1087 HydrophobicContact CD2-CG2 4.23Å; F985-I1087 HydrophobicContact CE2-CG2 4.2Å; F985-I1088 PolarHBondContact N-O 2.99Å; F985-L1090 HydrophobicContact CE2-CB 4.05Å; F985-L1090 HydrophobicContact CZ-CB 3.93Å; F985-I1106 HydrophobicContact CB-CD1 4.23Å; F985-I1106 HydrophobicContact CD1-CD1 3.4Å; F985-I1106 HydrophobicContact CD1-CG1 4.3Å; F985-I1106 HydrophobicContact CD2-CD1 4.26Å; F985-I1106 HydrophobicContact CD2-CG1 4.44Å; F985-I1106 HydrophobicContact CD2-CG2 4.44Å; F985-I1106 HydrophobicContact CE1-CD1 3.74Å; F985-I1106 HydrophobicContact CE1-CG1 4.35Å; F985-I1106 HydrophobicContact CE2-CG1 4.49Å; F985-I1106 HydrophobicContact CG-CD1 3.7Å; F985-I1106 HydrophobicContact CG-CG1 4.35Å; F985-I1106 HydrophobicContact CZ-CD1 4.31Å; F985-I1106 HydrophobicContact CZ-CG1 4.45Å |
| 986 | A | 92.1 | Very high | 84.4 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 161.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A952 N953 | A952-A986 CarbonylContact C-O 3.6Å; A952-A986 WeakPolarHBondContact CA-O 3.34Å; N953-A986 PolarHBondContact N-O 2.84Å |
| 987 | Y | 92.2 | Very high | 84.1 | Confident | 16 Ų | 16 | 73 Ų | 73 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -135.2 | 147.5 | -173.5 | -66.4 | -92.8 | 0 | 0 | 0 | 110.2 | A952 F985 A996 Q1012 P1086 I1087 I1106 V1109 | A952-Y987 HydrophobicContact CB-CD1 3.95Å; A952-Y987 HydrophobicContact CB-CE1 3.6Å; F985-Y987 HydrophobicContact CB-CE2 4.01Å; F985-Y987 WeakPolarHBondContact O-CE2 3.36Å; Y987-A996 WeakPolarHBondContact O-CB 3.3Å; Y987-Q1012 PolarHBondContact OH-NE2 3.38Å; Y987-P1086 HydrophobicContact CD1-CB 4.36Å; Y987-P1086 HydrophobicContact CD2-CB 4Å; Y987-P1086 HydrophobicContact CD2-CG 3.62Å; Y987-P1086 HydrophobicContact CE1-CB 3.91Å; Y987-P1086 HydrophobicContact CE2-CB 3.51Å; Y987-P1086 HydrophobicContact CE2-CG 3.53Å; Y987-P1086 HydrophobicContact CG-CB 4.43Å; Y987-P1086 HydrophobicContact CG-CG 4.23Å; Y987-P1086 VanDerWaalsContact CZ-CB 3.48Å; Y987-I1087 WeakPolarHBondContact CE2-O 3.4Å; Y987-I1087 PolarHBondContact OH-O 2.77Å; Y987-I1106 HydrophobicContact CE1-CG2 4.4Å; Y987-I1106 WeakPolarHBondContact OH-CG2 3.24Å; Y987-V1109 HydrophobicContact CD1-CG1 3.97Å; Y987-V1109 HydrophobicContact CE1-CG1 4.23Å |
| 988 | G | 87.3 | Confident | 84.1 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 14% | 0.144 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 85.4 | -168.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S951 N953 | S951-G988 PolarHBondContact O-N 2.93Å; N953-G988 VanDerWaalsContact CB-O 3.23Å; N953-G988 WeakPolarHBondContact CB-O 3.43Å; N953-G988 PolarHBondContact ND2-O 2.91Å |
| 989 | D | 80.2 | Confident | 84.2 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | trans | -76.8 | 154.5 | -175.9 | -165.5 | 8.1 | 0 | 0 | 0 | 112.3 | Q991 | D989-Q991 PolarHBondContact O-N 2.79Å; D989-Q991 VanDerWaalsContact O-N 3.07Å; D989-Q991 PolarHBondContact OD2-NE2 3.08Å | ||
| 990 | H | 64.4 | Low | 84.2 | Confident | 145 Ų | 145 | 67.5 Ų | 67.5 | 67% | 0.671 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.5 | -177 | -77.2 | -61.1 | 0 | 0 | 0 | 114.8 | N953 S992 | N953-H990 PolarHBondContact ND2-CD2 3.33Å; N953-H990 PolarHBondContact ND2-CE1 2.76Å; N953-H990 PolarHBondContact ND2-ND1 3.22Å; N953-H990 PolarHBondContact ND2-NE2 3.13Å; N953-H990 PolarHBondContact OD1-CE1 3.2Å; N953-H990 PolarHBondContact OD1-NE2 3.05Å; H990-S992 PolarHBondContact O-N 3.1Å |
| 991 | Q | 63.8 | Low | 84.5 | Confident | 150 Ų | 150 | 64 Ų | 64 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -32.3 | -166.7 | -55.9 | -173.8 | 18.8 | 0 | 0 | 112.6 | D989 | D989-Q991 PolarHBondContact O-N 2.79Å; D989-Q991 VanDerWaalsContact O-N 3.07Å; D989-Q991 PolarHBondContact OD2-NE2 3.08Å |
| 992 | S | 66.5 | Low | 84.9 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 33% | 0.329 | 32% | 0.318 | S | S | . | . | trans | -164.2 | 97.7 | 177.2 | 46.2 | 0 | 0 | 0 | 0 | 113.1 | H990 N994 T995 A996 | H990-S992 PolarHBondContact O-N 3.1Å; S992-N994 PolarHBondContact O-N 3.5Å; S992-T995 WeakPolarHBondContact CB-OG1 3.42Å; S992-T995 WeakPolarHBondContact O-CB 3.4Å; S992-T995 PolarHBondContact O-N 3.27Å; S992-T995 WeakPolarHBondContact OG-CB 3.37Å; S992-T995 PolarHBondContact OG-OG1 3.28Å; S992-A996 PolarHBondContact O-N 3.23Å | ||
| 993 | P | 70.6 | Confident | 85.2 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -29.7 | 177.3 | 24.2 | -33.7 | 0 | 0 | 0 | 112.7 | T995 A996 I997 | P993-T995 VanDerWaalsContact C-N 3.3Å; P993-T995 PolarHBondContact O-N 3.05Å; P993-A996 PolarHBondContact O-N 3.21Å; P993-I997 WeakPolarHBondContact O-CG1 3.44Å; P993-I997 PolarHBondContact O-N 3.06Å |
| 994 | N | 79.8 | Confident | 85.4 | Confident | 121 Ų | 121 | 55.7 Ų | 55.7 | 65% | 0.647 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.4 | -34 | 174.7 | -63.8 | -11 | 0 | 0 | 0 | 112.5 | S992 T998 | S992-N994 PolarHBondContact O-N 3.5Å; N994-T998 PolarHBondContact O-N 2.61Å; N994-T998 PolarHBondContact O-OG1 3.01Å |
| 995 | T | 83.7 | Confident | 85.4 | Confident | 27 Ų | 27 | 58 Ų | 58 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | D935 S992 P993 I997 T998 Q999 | D935-T995 HydrophobicContact CB-CG2 3.62Å; D935-T995 WeakPolarHBondContact O-CG2 3.4Å; S992-T995 WeakPolarHBondContact CB-OG1 3.42Å; S992-T995 WeakPolarHBondContact O-CB 3.4Å; S992-T995 PolarHBondContact O-N 3.27Å; S992-T995 WeakPolarHBondContact OG-CB 3.37Å; S992-T995 PolarHBondContact OG-OG1 3.28Å; P993-T995 VanDerWaalsContact C-N 3.3Å; P993-T995 PolarHBondContact O-N 3.05Å; T995-I997 VanDerWaalsContact C-N 3.32Å; T995-I997 PolarHBondContact O-N 3.3Å; T995-T998 WeakPolarHBondContact O-CB 3.22Å; T995-T998 PolarHBondContact O-N 2.87Å; T995-T998 VanDerWaalsContact O-N 3.1Å; T995-Q999 HydrophobicContact CG2-CG 4.19Å; T995-Q999 WeakPolarHBondContact O-CG 3.09Å; T995-Q999 PolarHBondContact O-N 3.13Å |
| 996 | A | 84.3 | Confident | 85.5 | Confident | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y987 S992 P993 M1000 | Y987-A996 WeakPolarHBondContact O-CB 3.3Å; S992-A996 PolarHBondContact O-N 3.23Å; P993-A996 PolarHBondContact O-N 3.21Å; A996-M1000 WeakPolarHBondContact O-CB 3.09Å; A996-M1000 PolarHBondContact O-N 3.44Å |
| 997 | I | 87.7 | Confident | 85.7 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 48% | 0.477 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 173.3 | -69.4 | 160 | 0 | 0 | 0 | 111.6 | P993 T995 T1001 | P993-I997 WeakPolarHBondContact O-CG1 3.44Å; P993-I997 PolarHBondContact O-N 3.06Å; T995-I997 VanDerWaalsContact C-N 3.32Å; T995-I997 PolarHBondContact O-N 3.3Å; I997-T1001 WeakPolarHBondContact O-CB 3.16Å; I997-T1001 PolarHBondContact O-N 2.99Å; I997-T1001 VanDerWaalsContact O-N 3.1Å; I997-T1001 PolarHBondContact O-OG1 3.44Å |
| 998 | T | 90.4 | Very high | 85.8 | Confident | 61 Ų | 61 | 66.1 Ų | 66.1 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -55.6 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | N994 T995 M1000 T1001 F1002 | N994-T998 PolarHBondContact O-N 2.61Å; N994-T998 PolarHBondContact O-OG1 3.01Å; T995-T998 WeakPolarHBondContact O-CB 3.22Å; T995-T998 PolarHBondContact O-N 2.87Å; T995-T998 VanDerWaalsContact O-N 3.1Å; T998-M1000 VanDerWaalsContact C-N 3.31Å; T998-M1000 PolarHBondContact O-N 3.35Å; T998-T1001 WeakPolarHBondContact O-CA 3.44Å; T998-T1001 VanDerWaalsContact O-CB 3.29Å; T998-T1001 WeakPolarHBondContact O-CB 3.41Å; T998-T1001 PolarHBondContact O-N 2.03Å; T998-F1002 HydrophobicContact CG2-CD2 4.48Å; T998-F1002 HydrophobicContact CG2-CE2 4.31Å; T998-F1002 WeakPolarHBondContact O-CD2 3.32Å; T998-F1002 PolarHBondContact O-N 2.9Å |
| 999 | Q | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -40.1 | -178.6 | -70 | -71.7 | 19.7 | 0 | 0 | 112.1 | D927 P928 N929 D935 I937 T995 T1001 F1002 L1003 | D927-Q999 PolarHBondContact OD1-NE2 2.77Å; P928-Q999 HydrophobicContact CG-CB 4.46Å; N929-Q999 VanDerWaalsContact CG-NE2 3.26Å; N929-Q999 PolarHBondContact ND2-NE2 2.6Å; N929-Q999 PolarHBondContact OD1-NE2 3.41Å; N929-Q999 PolarHBondContact OD1-OE1 2.85Å; D935-Q999 PolarHBondContact O-NE2 3.19Å; D935-Q999 PolarHBondContact OD1-NE2 3.47Å; I937-Q999 HydrophobicContact CD1-CB 3.85Å; I937-Q999 HydrophobicContact CG1-CB 4.14Å; I937-Q999 HydrophobicContact CG1-CG 4.41Å; I937-Q999 HydrophobicContact CG2-CB 4.23Å; I937-Q999 HydrophobicContact CG2-CG 4.11Å; T995-Q999 HydrophobicContact CG2-CG 4.19Å; T995-Q999 WeakPolarHBondContact O-CG 3.09Å; T995-Q999 PolarHBondContact O-N 3.13Å; Q999-T1001 VanDerWaalsContact C-N 3.28Å; Q999-T1001 PolarHBondContact O-N 2.92Å; Q999-F1002 PolarHBondContact O-N 2.74Å; Q999-F1002 VanDerWaalsContact O-N 3.14Å; Q999-L1003 PolarHBondContact O-N 2.92Å |
| 1000 | M | 92.2 | Very high | 87.1 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.6 | -25.3 | 174 | -171.4 | 167.3 | 60.3 | 0 | 0 | 113.4 | I950 A996 T998 L1003 R1004 P1086 V1109 F1111 | I950-M1000 HydrophobicContact CD1-CB 4.16Å; I950-M1000 HydrophobicContact CD1-CG 4.12Å; I950-M1000 HydrophobicContact CD1-SD 4.15Å; A996-M1000 WeakPolarHBondContact O-CB 3.09Å; A996-M1000 PolarHBondContact O-N 3.44Å; T998-M1000 VanDerWaalsContact C-N 3.31Å; T998-M1000 PolarHBondContact O-N 3.35Å; M1000-L1003 PolarHBondContact O-N 2.99Å; M1000-R1004 VanDerWaalsContact O-CG 3.27Å; M1000-R1004 WeakPolarHBondContact O-CG 3.24Å; M1000-R1004 PolarHBondContact O-N 2.71Å; M1000-R1004 VanDerWaalsContact O-N 3.08Å; M1000-P1086 VanDerWaalsContact CE-CD 3.47Å; M1000-P1086 HydrophobicContact CE-CG 3.72Å; M1000-P1086 WeakPolarHBondContact SD-CD 3.48Å; M1000-P1086 HydrophobicContact SD-CG 3.85Å; M1000-V1109 HydrophobicContact SD-CG1 4.17Å; M1000-F1111 HydrophobicContact CG-CE2 3.8Å; M1000-F1111 HydrophobicContact CG-CZ 3.6Å; M1000-F1111 HydrophobicContact SD-CE2 4.11Å; M1000-F1111 HydrophobicContact SD-CZ 4.01Å |
| 1001 | T | 93.4 | Very high | 88.6 | Confident | 61 Ų | 61 | 58 Ų | 58 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71 | -32.3 | 171.6 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | I997 T998 Q999 | I997-T1001 WeakPolarHBondContact O-CB 3.16Å; I997-T1001 PolarHBondContact O-N 2.99Å; I997-T1001 VanDerWaalsContact O-N 3.1Å; I997-T1001 PolarHBondContact O-OG1 3.44Å; T998-T1001 WeakPolarHBondContact O-CA 3.44Å; T998-T1001 VanDerWaalsContact O-CB 3.29Å; T998-T1001 WeakPolarHBondContact O-CB 3.41Å; T998-T1001 PolarHBondContact O-N 2.03Å; Q999-T1001 VanDerWaalsContact C-N 3.28Å; Q999-T1001 PolarHBondContact O-N 2.92Å |
| 1002 | F | 95.2 | Very high | 90.2 | Very high | 82 Ų | 82 | 51 Ų | 51 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.4 | -37.9 | 170.7 | -79 | -99 | 0 | 0 | 0 | 112.3 | P928 N929 T998 Q999 R1004 L1005 L1006 | P928-F1002 HydrophobicContact CB-CB 3.69Å; N929-F1002 HydrophobicContact CB-CB 4.38Å; N929-F1002 HydrophobicContact CB-CD1 4.15Å; N929-F1002 HydrophobicContact CB-CD2 3.43Å; N929-F1002 VanDerWaalsContact CB-CD2 3.43Å; N929-F1002 HydrophobicContact CB-CE1 4.26Å; N929-F1002 HydrophobicContact CB-CE2 3.59Å; N929-F1002 HydrophobicContact CB-CG 3.73Å; N929-F1002 HydrophobicContact CB-CZ 4Å; T998-F1002 HydrophobicContact CG2-CD2 4.48Å; T998-F1002 HydrophobicContact CG2-CE2 4.31Å; T998-F1002 WeakPolarHBondContact O-CD2 3.32Å; T998-F1002 PolarHBondContact O-N 2.9Å; Q999-F1002 PolarHBondContact O-N 2.74Å; Q999-F1002 VanDerWaalsContact O-N 3.14Å; F1002-R1004 VanDerWaalsContact C-N 3.29Å; F1002-R1004 PolarHBondContact O-N 3.15Å; F1002-L1005 WeakPolarHBondContact O-CA 3.32Å; F1002-L1005 WeakPolarHBondContact O-CB 3.34Å; F1002-L1005 PolarHBondContact O-N 3.39Å; F1002-L1006 WeakPolarHBondContact O-CG 3.47Å; F1002-L1006 PolarHBondContact O-N 2.85Å |
| 1003 | L | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 172 | -76 | 163.9 | 0 | 0 | 0 | 112.6 | T908 I926 P928 I937 T948 I950 Q999 M1000 L1005 L1006 S1007 F1111 | T908-L1003 HydrophobicContact CG2-CD2 3.86Å; I926-L1003 HydrophobicContact CD1-CD1 4.18Å; I926-L1003 HydrophobicContact CD1-CD2 4.17Å; P928-L1003 HydrophobicContact CB-CD2 4.38Å; P928-L1003 HydrophobicContact CB-CG 3.99Å; P928-L1003 HydrophobicContact CG-CD1 3.93Å; P928-L1003 HydrophobicContact CG-CD2 3.88Å; P928-L1003 HydrophobicContact CG-CG 3.56Å; I937-L1003 HydrophobicContact CD1-CD1 4.29Å; T948-L1003 HydrophobicContact CG2-CD1 3.88Å; T948-L1003 HydrophobicContact CG2-CD2 3.82Å; I950-L1003 HydrophobicContact CD1-CD1 3.8Å; I950-L1003 HydrophobicContact CG1-CD1 4.46Å; Q999-L1003 PolarHBondContact O-N 2.92Å; M1000-L1003 PolarHBondContact O-N 2.99Å; L1003-L1005 PolarHBondContact O-N 2.91Å; L1003-L1005 VanDerWaalsContact O-N 3.12Å; L1003-L1006 PolarHBondContact O-N 3.01Å; L1003-S1007 WeakPolarHBondContact O-CB 3.22Å; L1003-S1007 PolarHBondContact O-N 3.47Å; L1003-F1111 HydrophobicContact CB-CD2 4.4Å; L1003-F1111 HydrophobicContact CB-CG 4.36Å; L1003-F1111 HydrophobicContact CD1-CD2 4.45Å |
| 1004 | R | 94.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 19% | 0.185 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -14.1 | 171.5 | -72.5 | 167.7 | 178.8 | 156.7 | -6.9 | 114.9 | M1000 F1002 A1041 V1082 L1085 F1111 | M1000-R1004 VanDerWaalsContact O-CG 3.27Å; M1000-R1004 WeakPolarHBondContact O-CG 3.24Å; M1000-R1004 PolarHBondContact O-N 2.71Å; M1000-R1004 VanDerWaalsContact O-N 3.08Å; F1002-R1004 VanDerWaalsContact C-N 3.29Å; F1002-R1004 PolarHBondContact O-N 3.15Å; R1004-A1041 VanDerWaalsContact NH2-CB 3.29Å; R1004-V1082 HydrophobicContact CB-CB 4.49Å; R1004-V1082 HydrophobicContact CB-CG2 3.76Å; R1004-V1082 HydrophobicContact CG-CB 4.19Å; R1004-V1082 HydrophobicContact CG-CG2 3.96Å; R1004-V1082 VanDerWaalsContact O-CG2 3.24Å; R1004-V1082 WeakPolarHBondContact O-CG2 3.33Å; R1004-L1085 PolarHBondContact NE-O 3.35Å; R1004-L1085 PolarHBondContact NH2-O 2.85Å; R1004-F1111 HydrophobicContact CG-CE1 3.92Å |
| 1005 | L | 94.3 | Very high | 93.8 | Very high | 137 Ų | 137 | 43.5 Ų | 43.5 | 72% | 0.717 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -98.1 | -16.2 | 173.7 | -63.7 | 172.9 | 0 | 0 | 0 | 112.8 | F1002 L1003 | F1002-L1005 WeakPolarHBondContact O-CA 3.32Å; F1002-L1005 WeakPolarHBondContact O-CB 3.34Å; F1002-L1005 PolarHBondContact O-N 3.39Å; L1003-L1005 PolarHBondContact O-N 2.91Å; L1003-L1005 VanDerWaalsContact O-N 3.12Å |
| 1006 | L | 95.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -100.4 | -28.8 | -177.7 | -61.6 | 172.3 | 0 | 0 | 0 | 112.2 | R907 T908 P928 F1002 L1003 | R907-L1006 HydrophobicContact CG-CD1 4.05Å; T908-L1006 HydrophobicContact CG2-CB 4.16Å; T908-L1006 HydrophobicContact CG2-CD1 3.59Å; T908-L1006 HydrophobicContact CG2-CG 4.48Å; P928-L1006 HydrophobicContact CB-CD1 4.4Å; F1002-L1006 WeakPolarHBondContact O-CG 3.47Å; F1002-L1006 PolarHBondContact O-N 2.85Å; L1003-L1006 PolarHBondContact O-N 3.01Å |
| 1007 | S | 96.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | trans | -99.5 | 148.7 | -178.9 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | L1003 F1111 V1112 | L1003-S1007 WeakPolarHBondContact O-CB 3.22Å; L1003-S1007 PolarHBondContact O-N 3.47Å; S1007-F1111 WeakPolarHBondContact OG-CB 3.46Å; S1007-V1112 CarbonylContact C-O 3.56Å; S1007-V1112 WeakPolarHBondContact CA-OXT 3.23Å; S1007-V1112 VanDerWaalsContact CB-C 3.43Å; S1007-V1112 WeakPolarHBondContact CB-O 3.45Å; S1007-V1112 PolarHBondContact OG-N 2.89Å | ||
| 1008 | K | 95.7 | Very high | 95.5 | Very high | 172 Ų | 172 | 39.5 Ų | 39.5 | 75% | 0.748 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -95.1 | -23.4 | -179.1 | -63.8 | 156.1 | -169.5 | 145.6 | 0 | 112.3 | Q1080 V1112 | K1008-Q1080 WeakPolarHBondContact O-CA 3.39Å; K1008-V1112 CarbonylContact C-O 3.58Å; K1008-V1112 PolarHBondContact N-O 3.18Å |
| 1009 | E | 96.2 | Very high | 95.8 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | trans | -143 | 152.5 | -177.2 | -171.6 | 160.2 | -143.5 | 0 | 0 | 110.9 | R1078 V1082 V1112 | E1009-R1078 HydrophobicContact CG-CG 4.15Å; E1009-R1078 VanDerWaalsContact OE1-CG 3.24Å; E1009-R1078 WeakPolarHBondContact OE1-CG 3.46Å; E1009-R1078 IonicContact OE1-CZ 3.87Å; E1009-R1078 IonicContact OE1-NE 2.93Å; E1009-R1078 PolarHBondContact OE1-NE 3.34Å; E1009-R1078 IonicContact OE1-NH2 3.92Å; E1009-R1078 IonicContact OE2-CZ 3.34Å; E1009-R1078 IonicContact OE2-NE 3.17Å; E1009-R1078 PolarHBondContact OE2-NE 3.14Å; E1009-R1078 IonicContact OE2-NH2 2.7Å; E1009-R1078 PolarHBondContact OE2-NH2 3.01Å; E1009-V1082 VanDerWaalsContact C-CG1 3.45Å; E1009-V1112 HydrophobicContact CB-CG1 4.28Å; E1009-V1112 PolarHBondContact N-O 3.46Å; E1009-V1112 PolarHBondContact O-N 3.31Å | ||
| 1010 | A | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1078 T1079 V1082 L1085 C1110 F1111 | A1010-R1078 CarbonylContact O-C 3.5Å; A1010-R1078 WeakPolarHBondContact O-CA 3.37Å; A1010-T1079 PolarHBondContact N-O 2.79Å; A1010-T1079 PolarHBondContact O-N 2.59Å; A1010-V1082 HydrophobicContact CB-CB 4.1Å; A1010-V1082 HydrophobicContact CB-CG1 3.79Å; A1010-L1085 HydrophobicContact CB-CB 4.2Å; A1010-L1085 HydrophobicContact CB-CD1 3.73Å; A1010-L1085 WeakPolarHBondContact O-CD1 3.43Å; A1010-C1110 CarbonylContact C-O 3.59Å; A1010-C1110 WeakPolarHBondContact CA-O 3.29Å; A1010-F1111 HydrophobicContact CB-CD1 3.65Å; A1010-F1111 HydrophobicContact CB-CE1 3.81Å; A1010-F1111 HydrophobicContact CB-CG 4.48Å |
| 1011 | S | 97 | Very high | 96 | Very high | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.119 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.4 | 176.9 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | Y1077 C1110 | S1011-Y1077 CarbonylContact C-O 3.4Å; S1011-Y1077 WeakPolarHBondContact CA-O 3.43Å; S1011-C1110 PolarHBondContact N-O 3.38Å; S1011-C1110 PolarHBondContact O-N 3.42Å |
| 1012 | Q | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 139.7 | 169.1 | -173.2 | 170.6 | 16.2 | 0 | 0 | 111.2 | Y987 Y1077 L1085 I1087 G1107 V1109 | Y987-Q1012 PolarHBondContact OH-NE2 3.38Å; Q1012-Y1077 PolarHBondContact N-O 3.1Å; Q1012-Y1077 PolarHBondContact O-N 2.87Å; Q1012-L1085 HydrophobicContact CB-CD1 4.27Å; Q1012-L1085 HydrophobicContact CB-CD2 3.78Å; Q1012-I1087 HydrophobicContact CB-CD1 4.4Å; Q1012-I1087 HydrophobicContact CG-CD1 4.19Å; Q1012-G1107 PolarHBondContact NE2-O 3.41Å; Q1012-V1109 HydrophobicContact CB-CB 4.41Å; Q1012-V1109 HydrophobicContact CB-CG2 4.49Å; Q1012-V1109 HydrophobicContact CG-CB 4.4Å |
| 1013 | N | 96.8 | Very high | 96 | Very high | 64 Ų | 64 | 33.3 Ų | 33.3 | 34% | 0.342 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 144.6 | 174.7 | -63.9 | -4.8 | 0 | 0 | 0 | 110.7 | F1075 E1076 G1107 | N1013-F1075 CarbonylContact C-O 3.58Å; N1013-F1075 VanDerWaalsContact CA-O 3.25Å; N1013-F1075 WeakPolarHBondContact CA-O 3.35Å; N1013-E1076 WeakPolarHBondContact OD1-CB 3.29Å; N1013-E1076 WeakPolarHBondContact OD1-CG 3.41Å; N1013-G1107 WeakPolarHBondContact O-CA 3.34Å; N1013-G1107 PolarHBondContact O-N 3.3Å |
| 1014 | I | 97.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 126.4 | 177 | -168.8 | 161.8 | 0 | 0 | 0 | 110.1 | F985 L1038 F1075 I1087 L1090 V1104 I1106 | F985-I1014 HydrophobicContact CD2-CD1 4.39Å; F985-I1014 HydrophobicContact CE2-CD1 3.72Å; F985-I1014 HydrophobicContact CZ-CD1 4.41Å; I1014-L1038 HydrophobicContact CG2-CD1 3.85Å; I1014-L1038 HydrophobicContact CG2-CD2 3.9Å; I1014-F1075 HydrophobicContact CG2-CB 3.87Å; I1014-F1075 HydrophobicContact CG2-CD2 4.19Å; I1014-F1075 HydrophobicContact CG2-CG 4.48Å; I1014-F1075 PolarHBondContact N-O 2.85Å; I1014-F1075 PolarHBondContact O-N 3.46Å; I1014-I1087 HydrophobicContact CB-CD1 4.2Å; I1014-I1087 HydrophobicContact CD1-CD1 4.49Å; I1014-I1087 HydrophobicContact CD1-CG2 4.14Å; I1014-I1087 HydrophobicContact CG2-CD1 3.8Å; I1014-L1090 HydrophobicContact CD1-CD1 3.9Å; I1014-L1090 HydrophobicContact CG1-CD1 4.25Å; I1014-V1104 HydrophobicContact CD1-CG1 3.76Å; I1014-V1104 HydrophobicContact CG1-CG1 3.55Å; I1014-I1106 HydrophobicContact CD1-CG1 4.43Å |
| 1015 | T | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.4 | 176.9 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | I1017 K1072 T1073 V1074 V1104 E1105 | T1015-I1017 HydrophobicContact CG2-CG1 4.11Å; T1015-K1072 HydrophobicContact CG2-CB 3.71Å; T1015-K1072 HydrophobicContact CG2-CD 3.82Å; T1015-K1072 HydrophobicContact CG2-CG 4.26Å; T1015-T1073 CarbonylContact C-O 3.59Å; T1015-T1073 WeakPolarHBondContact CA-O 3.48Å; T1015-V1074 HydrophobicContact CG2-CG2 4.19Å; T1015-V1104 CarbonylContact O-C 3.54Å; T1015-V1104 VanDerWaalsContact O-CA 3.24Å; T1015-V1104 WeakPolarHBondContact O-CA 3.3Å; T1015-V1104 WeakPolarHBondContact O-CG1 3.34Å; T1015-E1105 WeakPolarHBondContact CB-OE2 3.35Å; T1015-E1105 HydrophobicContact CG2-CG 4.33Å; T1015-E1105 WeakPolarHBondContact CG2-OE2 3.3Å; T1015-E1105 PolarHBondContact N-O 3.13Å; T1015-E1105 PolarHBondContact O-N 3.22Å; T1015-E1105 PolarHBondContact OG1-OE2 3.33Å |
| 1016 | Y | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.9 | 162.6 | -178.3 | -106.7 | 0 | 0 | 0 | 109.2 | C1018 S1021 V1036 K1072 T1073 L1090 P1092 F1102 | Y1016-C1018 HydrophobicContact CD1-CB 4.08Å; Y1016-C1018 HydrophobicContact CE1-CB 3.77Å; Y1016-S1021 PolarHBondContact OH-OG 2.88Å; Y1016-V1036 HydrophobicContact CD1-CG2 4.04Å; Y1016-V1036 HydrophobicContact CD2-CG2 4.04Å; Y1016-V1036 HydrophobicContact CE1-CG2 4.16Å; Y1016-V1036 HydrophobicContact CE2-CG2 4.15Å; Y1016-V1036 HydrophobicContact CG-CG2 3.98Å; Y1016-K1072 CarbonylContact O-C 3.5Å; Y1016-K1072 VanDerWaalsContact O-CA 3.24Å; Y1016-K1072 WeakPolarHBondContact O-CA 3.48Å; Y1016-T1073 PolarHBondContact N-O 2.87Å; Y1016-T1073 PolarHBondContact O-N 3.04Å; Y1016-L1090 HydrophobicContact CD2-CD2 4Å; Y1016-L1090 HydrophobicContact CE2-CD2 4.21Å; Y1016-P1092 HydrophobicContact CE2-CB 3.87Å; Y1016-P1092 HydrophobicContact CE2-CG 4.3Å; Y1016-P1092 WeakPolarHBondContact OH-CB 3.49Å; Y1016-F1102 HydrophobicContact CD2-CB 4.44Å; Y1016-F1102 HydrophobicContact CD2-CD2 4.19Å; Y1016-F1102 HydrophobicContact CE1-CB 4.42Å; Y1016-F1102 HydrophobicContact CE2-CB 3.54Å; Y1016-F1102 HydrophobicContact CE2-CD1 4.4Å; Y1016-F1102 AromaticContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CE2 4.3Å; Y1016-F1102 AromaticContact CE2-CG 3.58Å; Y1016-F1102 HydrophobicContact CE2-CG 3.58Å; Y1016-F1102 AromaticContact CZ-CG 3.94Å; Y1016-F1102 VanDerWaalsContact OH-CB 3.32Å; Y1016-F1102 WeakPolarHBondContact OH-CB 3.42Å |
| 1017 | I | 97.5 | Very high | 95.9 | Very high | 36 Ų | 36 | 30 Ų | 30 | 19% | 0.185 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.6 | 173.6 | -48.5 | 176.2 | 0 | 0 | 0 | 107.7 | R959 T1015 V1070 G1071 F1102 G1103 E1105 | R959-I1017 HydrophobicContact CG-CG2 4.35Å; T1015-I1017 HydrophobicContact CG2-CG1 4.11Å; I1017-V1070 HydrophobicContact CG2-CG1 3.67Å; I1017-G1071 WeakPolarHBondContact CG2-O 3.46Å; I1017-F1102 CarbonylContact O-C 3.49Å; I1017-F1102 WeakPolarHBondContact O-CA 3.48Å; I1017-F1102 WeakPolarHBondContact O-CB 3.4Å; I1017-G1103 PolarHBondContact N-O 3.47Å; I1017-G1103 PolarHBondContact O-N 3.41Å; I1017-E1105 HydrophobicContact CD1-CG 3.78Å; I1017-E1105 HydrophobicContact CG1-CG 4.17Å |
| 1018 | C | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 157.2 | -173.2 | 65.8 | 0 | 0 | 0 | 0 | 112.5 | Y1016 S1021 C1063 V1070 G1071 E1101 | Y1016-C1018 HydrophobicContact CD1-CB 4.08Å; Y1016-C1018 HydrophobicContact CE1-CB 3.77Å; C1018-S1021 WeakPolarHBondContact CB-O 3.37Å; C1018-C1063 HydrophobicContact CB-CB 3.83Å; C1018-C1063 WeakPolarHBondContact CB-SG 3.32Å; C1018-C1063 VanDerWaalsContact SG-CA 3.5Å; C1018-C1063 WeakPolarHBondContact SG-CB 3.02Å; C1018-C1063 CovalentContact SG-SG 2.02Å; C1018-C1063 PolarHBondContact SG-SG 3.03Å; C1018-V1070 CarbonylContact O-C 3.49Å; C1018-V1070 VanDerWaalsContact O-CA 3.31Å; C1018-V1070 WeakPolarHBondContact O-CA 3.15Å; C1018-G1071 PolarHBondContact N-O 2.8Å; C1018-G1071 PolarHBondContact O-N 2.78Å; C1018-G1071 PolarHBondContact SG-O 2.93Å; C1018-E1101 CarbonylContact C-O 3.6Å |
| 1019 | K | 96.4 | Very high | 95.3 | Very high | 55 Ų | 55 | 31.5 Ų | 31.5 | 24% | 0.239 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 124.9 | 157.5 | 174.3 | -173.9 | 163.6 | -161.2 | 0 | 107.4 | S1021 G1068 V1070 E1101 | K1019-S1021 PolarHBondContact O-N 2.82Å; K1019-G1068 WeakPolarHBondContact CE-O 3.27Å; K1019-V1070 HydrophobicContact CB-CG2 4.44Å; K1019-E1101 HydrophobicContact CB-CB 4.26Å; K1019-E1101 WeakPolarHBondContact CD-OE1 3.25Å; K1019-E1101 WeakPolarHBondContact CE-OE1 3.5Å; K1019-E1101 PolarHBondContact N-O 2.94Å; K1019-E1101 IonicContact NZ-OE1 3.51Å; K1019-E1101 PolarHBondContact NZ-OE1 2.96Å; K1019-E1101 PolarHBondContact O-N 3.25Å |
| 1020 | N | 94.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 53.4 | 19 | -172.5 | -70.1 | -6.7 | 0 | 0 | 0 | 116.1 | R1066 N1067 G1068 D1099 Q1100 | N1020-R1066 HydrophobicContact CB-CB 4.32Å; N1020-R1066 WeakPolarHBondContact O-CD 3.41Å; N1020-R1066 WeakPolarHBondContact O-CG 3.39Å; N1020-N1067 PolarHBondContact OD1-N 2.8Å; N1020-G1068 VanDerWaalsContact OD1-CA 3.31Å; N1020-G1068 WeakPolarHBondContact OD1-CA 3.36Å; N1020-G1068 PolarHBondContact OD1-N 3.34Å; N1020-D1099 WeakPolarHBondContact CB-OD2 3.43Å; N1020-D1099 PolarHBondContact ND2-OD2 3.15Å; N1020-Q1100 HydrophobicContact CB-CG 4.4Å; N1020-Q1100 WeakPolarHBondContact O-CG 3.05Å; N1020-Q1100 PolarHBondContact O-NE2 2.95Å |
| 1021 | S | 94.8 | Very high | 95 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -119.3 | 138.9 | 173 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | Y1016 C1018 K1019 D1094 | Y1016-S1021 PolarHBondContact OH-OG 2.88Å; C1018-S1021 WeakPolarHBondContact CB-O 3.37Å; K1019-S1021 PolarHBondContact O-N 2.82Å; S1021-D1094 WeakPolarHBondContact CB-O 3.38Å; S1021-D1094 PolarHBondContact OG-O 2.76Å |
| 1022 | V | 94.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | trans | -79.5 | 127 | 171.8 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | D1026 K1034 C1063 D1094 | V1022-D1026 HydrophobicContact CG1-CB 4.32Å; V1022-K1034 HydrophobicContact CB-CB 4.07Å; V1022-K1034 HydrophobicContact CB-CD 4.13Å; V1022-K1034 HydrophobicContact CG1-CB 3.9Å; V1022-K1034 HydrophobicContact CG2-CD 4.16Å; V1022-C1063 VanDerWaalsContact CA-O 3.27Å; V1022-C1063 WeakPolarHBondContact CA-O 3.1Å; V1022-D1094 HydrophobicContact CB-CB 4.06Å; V1022-D1094 WeakPolarHBondContact CG2-OD2 3.26Å; V1022-D1094 PolarHBondContact N-OD2 3.23Å | ||
| 1023 | G | 93.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -87.4 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1035 V1036 C1063 F1075 | G1023-A1035 WeakPolarHBondContact O-CA 3.29Å; G1023-V1036 WeakPolarHBondContact O-CG2 3.24Å; G1023-V1036 PolarHBondContact O-N 2.92Å; G1023-C1063 PolarHBondContact N-O 3.49Å; G1023-F1075 WeakPolarHBondContact O-CZ 3.43Å |
| 1024 | Y | 96.1 | Very high | 94.5 | Very high | 51 Ų | 51 | 44.5 Ų | 44.5 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -141.7 | -72.6 | -177.2 | 175.3 | -109.1 | 0 | 0 | 0 | 112.9 | L1032 A1035 A1048 Y1056 V1058 F1075 | Y1024-L1032 HydrophobicContact CD1-CD2 3.81Å; Y1024-L1032 HydrophobicContact CD2-CD2 3.94Å; Y1024-L1032 HydrophobicContact CE1-CD2 3.58Å; Y1024-L1032 HydrophobicContact CE2-CD1 4.05Å; Y1024-L1032 HydrophobicContact CE2-CD2 3.74Å; Y1024-L1032 HydrophobicContact CE2-CG 4.43Å; Y1024-L1032 HydrophobicContact CG-CD2 3.99Å; Y1024-A1035 HydrophobicContact CD2-CB 3.92Å; Y1024-A1048 HydrophobicContact CD2-CB 3.89Å; Y1024-A1048 HydrophobicContact CE2-CB 3.54Å; Y1024-Y1056 AromaticContact CD2-CE2 3.8Å; Y1024-Y1056 HydrophobicContact CD2-CE2 3.8Å; Y1024-Y1056 AromaticContact CE2-CE2 3.81Å; Y1024-Y1056 HydrophobicContact CE2-CE2 3.81Å; Y1024-V1058 HydrophobicContact CD1-CB 4.4Å; Y1024-V1058 HydrophobicContact CD1-CG1 4.38Å; Y1024-V1058 HydrophobicContact CD1-CG2 3.93Å; Y1024-V1058 HydrophobicContact CD2-CG2 3.68Å; Y1024-V1058 HydrophobicContact CE1-CB 4.36Å; Y1024-V1058 HydrophobicContact CE1-CG2 3.98Å; Y1024-V1058 HydrophobicContact CE2-CG2 3.71Å; Y1024-V1058 HydrophobicContact CG-CG2 3.78Å; Y1024-F1075 HydrophobicContact CD2-CE1 4.33Å |
| 1025 | M | 95.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | trans | -94.5 | 116.5 | -177.2 | 179.8 | 63.2 | 77.4 | 0 | 0 | 111.7 | D1027 L1032 D1061 S1064 | M1025-D1027 PolarHBondContact O-N 2.93Å; M1025-L1032 HydrophobicContact CB-CD2 4.13Å; M1025-L1032 HydrophobicContact CE-CD2 3.61Å; M1025-L1032 HydrophobicContact CE-CG 4.22Å; M1025-L1032 HydrophobicContact SD-CD2 3.95Å; M1025-D1061 PolarHBondContact N-OD2 2.95Å; M1025-D1061 VanDerWaalsContact N-OD2 3.1Å; M1025-S1064 WeakPolarHBondContact O-CA 3.45Å; M1025-S1064 WeakPolarHBondContact O-CB 3.26Å | ||
| 1026 | D | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 111.5 | 169.4 | -173.1 | -36 | 0 | 0 | 0 | 109.7 | V1022 Q1028 A1029 K1030 N1031 K1034 | V1022-D1026 HydrophobicContact CG1-CB 4.32Å; D1026-Q1028 VanDerWaalsContact C-N 3.31Å; D1026-Q1028 PolarHBondContact O-N 3.27Å; D1026-Q1028 WeakPolarHBondContact OD1-CA 3.32Å; D1026-Q1028 WeakPolarHBondContact OD1-CB 3.17Å; D1026-Q1028 PolarHBondContact OD1-N 3.12Å; D1026-A1029 HydrophobicContact CB-CB 4.07Å; D1026-A1029 PolarHBondContact OD1-N 2.91Å; D1026-K1030 VanDerWaalsContact O-CA 3.23Å; D1026-K1030 WeakPolarHBondContact O-CA 3.33Å; D1026-K1030 PolarHBondContact O-N 2.85Å; D1026-N1031 PolarHBondContact N-O 3.02Å; D1026-N1031 VanDerWaalsContact N-O 3.12Å; D1026-K1034 HydrophobicContact CB-CD 4.41Å; D1026-K1034 VanDerWaalsContact OD2-CD 3.32Å; D1026-K1034 WeakPolarHBondContact OD2-CD 3.02Å; D1026-K1034 VanDerWaalsContact OD2-CE 3.23Å; D1026-K1034 WeakPolarHBondContact OD2-CE 3Å; D1026-K1034 IonicContact OD2-NZ 3.4Å; D1026-K1034 PolarHBondContact OD2-NZ 3.35Å |
| 1027 | D | 92.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 25% | 0.251 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.4 | -179.1 | -173 | 60.1 | 0 | 0 | 0 | 113.9 | M1025 K1030 S1064 K1065 | M1025-D1027 PolarHBondContact O-N 2.93Å; D1027-K1030 VanDerWaalsContact O-CD 3.3Å; D1027-K1030 WeakPolarHBondContact O-CD 3.27Å; D1027-K1030 WeakPolarHBondContact O-CE 3.45Å; D1027-K1030 PolarHBondContact O-NZ 2.91Å; D1027-K1030 VanDerWaalsContact O-NZ 3.14Å; D1027-K1030 IonicContact OD1-NZ 3.92Å; D1027-K1030 PolarHBondContact OD1-NZ 3.18Å; D1027-S1064 VanDerWaalsContact CB-O 3.27Å; D1027-S1064 WeakPolarHBondContact CB-O 3.24Å; D1027-S1064 PolarHBondContact N-O 3.17Å; D1027-K1065 HydrophobicContact CB-CD 4.26Å; D1027-K1065 HydrophobicContact CB-CG 3.9Å; D1027-K1065 WeakPolarHBondContact OD2-CE 3.45Å; D1027-K1065 IonicContact OD2-NZ 3.49Å; D1027-K1065 PolarHBondContact OD2-NZ 2.93Å |
| 1028 | Q | 89.8 | Confident | 94.4 | Very high | 169 Ų | 169 | 42.9 Ų | 42.9 | 79% | 0.79 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -43.9 | 176.3 | -63.2 | -176.6 | -26.6 | 0 | 0 | 110.8 | D1026 | D1026-Q1028 VanDerWaalsContact C-N 3.31Å; D1026-Q1028 PolarHBondContact O-N 3.27Å; D1026-Q1028 WeakPolarHBondContact OD1-CA 3.32Å; D1026-Q1028 WeakPolarHBondContact OD1-CB 3.17Å; D1026-Q1028 PolarHBondContact OD1-N 3.12Å |
| 1029 | A | 89.6 | Confident | 94.4 | Very high | 52 Ų | 52 | 44 Ų | 44 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | D1026 N1031 | D1026-A1029 HydrophobicContact CB-CB 4.07Å; D1026-A1029 PolarHBondContact OD1-N 2.91Å; A1029-N1031 VanDerWaalsContact C-N 3.3Å; A1029-N1031 VanDerWaalsContact CB-ND2 3.26Å; A1029-N1031 WeakPolarHBondContact CB-ND2 3.47Å; A1029-N1031 PolarHBondContact O-N 3.35Å; A1029-N1031 PolarHBondContact O-ND2 2.92Å |
| 1030 | K | 92.6 | Very high | 94.4 | Very high | 141 Ų | 141 | 41.4 Ų | 41.4 | 61% | 0.613 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 41.6 | 178.7 | -57.9 | -60.8 | -173.9 | -174.9 | 0 | 114.1 | D1026 D1027 | D1026-K1030 VanDerWaalsContact O-CA 3.23Å; D1026-K1030 WeakPolarHBondContact O-CA 3.33Å; D1026-K1030 PolarHBondContact O-N 2.85Å; D1027-K1030 VanDerWaalsContact O-CD 3.3Å; D1027-K1030 WeakPolarHBondContact O-CD 3.27Å; D1027-K1030 WeakPolarHBondContact O-CE 3.45Å; D1027-K1030 PolarHBondContact O-NZ 2.91Å; D1027-K1030 VanDerWaalsContact O-NZ 3.14Å; D1027-K1030 IonicContact OD1-NZ 3.92Å; D1027-K1030 PolarHBondContact OD1-NZ 3.18Å |
| 1031 | N | 93.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -152.1 | 169.3 | 179.6 | 69.9 | 79.3 | 0 | 0 | 0 | 112.5 | D1026 A1029 K1033 | D1026-N1031 PolarHBondContact N-O 3.02Å; D1026-N1031 VanDerWaalsContact N-O 3.12Å; A1029-N1031 VanDerWaalsContact C-N 3.3Å; A1029-N1031 VanDerWaalsContact CB-ND2 3.26Å; A1029-N1031 WeakPolarHBondContact CB-ND2 3.47Å; A1029-N1031 PolarHBondContact O-N 3.35Å; A1029-N1031 PolarHBondContact O-ND2 2.92Å; N1031-K1033 WeakPolarHBondContact OD1-CB 3.33Å; N1031-K1033 WeakPolarHBondContact OD1-CG 3.32Å; N1031-K1033 PolarHBondContact OD1-N 3.21Å |
| 1032 | L | 94.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -99.2 | 11.9 | -174.6 | -55.8 | 174.3 | 0 | 0 | 0 | 113.6 | Y1024 M1025 K1034 A1035 A1048 E1049 | Y1024-L1032 HydrophobicContact CD1-CD2 3.81Å; Y1024-L1032 HydrophobicContact CD2-CD2 3.94Å; Y1024-L1032 HydrophobicContact CE1-CD2 3.58Å; Y1024-L1032 HydrophobicContact CE2-CD1 4.05Å; Y1024-L1032 HydrophobicContact CE2-CD2 3.74Å; Y1024-L1032 HydrophobicContact CE2-CG 4.43Å; Y1024-L1032 HydrophobicContact CG-CD2 3.99Å; M1025-L1032 HydrophobicContact CB-CD2 4.13Å; M1025-L1032 HydrophobicContact CE-CD2 3.61Å; M1025-L1032 HydrophobicContact CE-CG 4.22Å; M1025-L1032 HydrophobicContact SD-CD2 3.95Å; L1032-K1034 PolarHBondContact O-N 3.06Å; L1032-K1034 VanDerWaalsContact O-N 3.12Å; L1032-A1035 HydrophobicContact CB-CB 4.41Å; L1032-A1035 WeakPolarHBondContact O-CB 3.43Å; L1032-A1035 PolarHBondContact O-N 2.9Å; L1032-A1048 HydrophobicContact CB-CB 3.96Å; L1032-A1048 HydrophobicContact CD1-CB 4.17Å; L1032-E1049 HydrophobicContact CB-CG 3.97Å; L1032-E1049 HydrophobicContact CD1-CG 3.86Å; L1032-E1049 HydrophobicContact CG-CG 4.47Å |
| 1033 | K | 92.7 | Very high | 94 | Very high | 161 Ų | 161 | 49 Ų | 49 | 70% | 0.7 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.4 | -175.1 | -63.2 | 176.1 | -179.6 | -178.7 | 0 | 114.3 | N1031 | N1031-K1033 WeakPolarHBondContact OD1-CB 3.33Å; N1031-K1033 WeakPolarHBondContact OD1-CG 3.32Å; N1031-K1033 PolarHBondContact OD1-N 3.21Å |
| 1034 | K | 93.9 | Very high | 94 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 14% | 0.139 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 0.4 | 173.4 | -70.9 | -178.1 | -177.9 | 168.9 | 0 | 113.6 | V1022 D1026 L1032 D1094 | V1022-K1034 HydrophobicContact CB-CB 4.07Å; V1022-K1034 HydrophobicContact CB-CD 4.13Å; V1022-K1034 HydrophobicContact CG1-CB 3.9Å; V1022-K1034 HydrophobicContact CG2-CD 4.16Å; D1026-K1034 HydrophobicContact CB-CD 4.41Å; D1026-K1034 VanDerWaalsContact OD2-CD 3.32Å; D1026-K1034 WeakPolarHBondContact OD2-CD 3.02Å; D1026-K1034 VanDerWaalsContact OD2-CE 3.23Å; D1026-K1034 WeakPolarHBondContact OD2-CE 3Å; D1026-K1034 IonicContact OD2-NZ 3.4Å; D1026-K1034 PolarHBondContact OD2-NZ 3.35Å; L1032-K1034 PolarHBondContact O-N 3.06Å; L1032-K1034 VanDerWaalsContact O-N 3.12Å; K1034-D1094 HydrophobicContact CB-CB 4.37Å; K1034-D1094 HydrophobicContact CD-CB 4.13Å; K1034-D1094 HydrophobicContact CG-CB 4.48Å; K1034-D1094 IonicContact NZ-OD2 3.69Å |
| 1035 | A | 96.1 | Very high | 94 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 141.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1023 Y1024 L1032 A1048 Y1056 V1093 | G1023-A1035 WeakPolarHBondContact O-CA 3.29Å; Y1024-A1035 HydrophobicContact CD2-CB 3.92Å; L1032-A1035 HydrophobicContact CB-CB 4.41Å; L1032-A1035 WeakPolarHBondContact O-CB 3.43Å; L1032-A1035 PolarHBondContact O-N 2.9Å; A1035-A1048 HydrophobicContact CB-CB 3.49Å; A1035-A1048 VanDerWaalsContact CB-CB 3.49Å; A1035-Y1056 WeakPolarHBondContact CB-OH 3.29Å; A1035-V1093 WeakPolarHBondContact O-CG2 3.22Å |
| 1036 | V | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -56 | 139.1 | 176.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | Y1016 G1023 L1038 Y1056 F1075 L1090 P1092 | Y1016-V1036 HydrophobicContact CD1-CG2 4.04Å; Y1016-V1036 HydrophobicContact CD2-CG2 4.04Å; Y1016-V1036 HydrophobicContact CE1-CG2 4.16Å; Y1016-V1036 HydrophobicContact CE2-CG2 4.15Å; Y1016-V1036 HydrophobicContact CG-CG2 3.98Å; G1023-V1036 WeakPolarHBondContact O-CG2 3.24Å; G1023-V1036 PolarHBondContact O-N 2.92Å; V1036-L1038 HydrophobicContact CG1-CD2 3.99Å; V1036-Y1056 VanDerWaalsContact O-CE1 3.24Å; V1036-Y1056 WeakPolarHBondContact O-CE1 3.17Å; V1036-Y1056 PolarHBondContact O-OH 2.87Å; V1036-F1075 HydrophobicContact CB-CE2 4.11Å; V1036-F1075 HydrophobicContact CB-CZ 3.83Å; V1036-F1075 HydrophobicContact CG1-CE2 4.41Å; V1036-F1075 HydrophobicContact CG2-CE2 4.38Å; V1036-F1075 HydrophobicContact CG2-CZ 4.18Å; V1036-L1090 HydrophobicContact CG1-CD1 3.95Å; V1036-L1090 HydrophobicContact CG1-CD2 3.46Å; V1036-L1090 VanDerWaalsContact CG1-CD2 3.46Å; V1036-L1090 HydrophobicContact CG1-CG 3.45Å; V1036-L1090 VanDerWaalsContact CG1-CG 3.45Å; V1036-P1092 HydrophobicContact CG2-CB 4.23Å |
| 1037 | V | 97.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 138.7 | 169.9 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | P972 W974 D1045 K1047 L1090 A1091 | P972-V1037 HydrophobicContact CB-CG2 4.31Å; W974-V1037 HydrophobicContact CH2-CB 4.45Å; W974-V1037 HydrophobicContact CH2-CG1 3.75Å; W974-V1037 HydrophobicContact CZ2-CG1 4.27Å; V1037-D1045 HydrophobicContact CG1-CB 3.97Å; V1037-K1047 HydrophobicContact CG1-CG 4.07Å; V1037-K1047 HydrophobicContact CG2-CD 4.45Å; V1037-K1047 HydrophobicContact CG2-CG 4.25Å; V1037-L1090 WeakPolarHBondContact O-CA 3.46Å; V1037-A1091 HydrophobicContact CB-CB 4.4Å; V1037-A1091 PolarHBondContact N-O 2.88Å; V1037-A1091 PolarHBondContact O-N 3.01Å |
| 1038 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 146.3 | 175.6 | -50.3 | 174.3 | 0 | 0 | 0 | 109 | I1014 V1036 D1045 I1046 Y1056 F1075 I1087 L1090 | I1014-L1038 HydrophobicContact CG2-CD1 3.85Å; I1014-L1038 HydrophobicContact CG2-CD2 3.9Å; V1036-L1038 HydrophobicContact CG1-CD2 3.99Å; L1038-D1045 CarbonylContact O-C 3.53Å; L1038-I1046 HydrophobicContact CB-CB 4.28Å; L1038-I1046 PolarHBondContact N-O 3.3Å; L1038-I1046 PolarHBondContact O-N 3.22Å; L1038-Y1056 HydrophobicContact CD1-CD1 3.7Å; L1038-Y1056 HydrophobicContact CD1-CE1 4.26Å; L1038-Y1056 HydrophobicContact CD1-CG 4.33Å; L1038-Y1056 HydrophobicContact CG-CD1 4.06Å; L1038-Y1056 HydrophobicContact CG-CE1 4.2Å; L1038-F1075 HydrophobicContact CD1-CB 4.15Å; L1038-F1075 HydrophobicContact CD1-CG 4.49Å; L1038-I1087 HydrophobicContact CB-CG2 4.19Å; L1038-I1087 HydrophobicContact CD1-CD1 4.03Å; L1038-L1090 HydrophobicContact CD2-CB 4.34Å; L1038-L1090 HydrophobicContact CD2-CD1 3.71Å; L1038-L1090 HydrophobicContact CD2-CG 3.82Å |
| 1039 | K | 96.8 | Very high | 94.5 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.5 | 175.4 | -146.4 | -177.9 | -166.2 | -162.1 | 0 | 111.1 | W974 D1043 I1087 I1088 D1089 | W974-K1039 HydrophobicContact CE3-CB 4.43Å; W974-K1039 HydrophobicContact CH2-CB 3.69Å; W974-K1039 HydrophobicContact CH2-CD 4.28Å; W974-K1039 HydrophobicContact CH2-CG 3.89Å; W974-K1039 HydrophobicContact CZ2-CG 4.45Å; W974-K1039 HydrophobicContact CZ3-CB 3.58Å; W974-K1039 HydrophobicContact CZ3-CD 4.43Å; W974-K1039 HydrophobicContact CZ3-CG 4.19Å; K1039-D1043 VanDerWaalsContact CE-OD1 3.27Å; K1039-D1043 WeakPolarHBondContact CE-OD1 3.38Å; K1039-D1043 IonicContact NZ-OD1 2.63Å; K1039-D1043 PolarHBondContact NZ-OD1 3.17Å; K1039-I1087 CarbonylContact O-C 3.54Å; K1039-I1087 VanDerWaalsContact O-CA 3.26Å; K1039-I1087 WeakPolarHBondContact O-CA 3.39Å; K1039-I1088 HydrophobicContact CB-CG1 4.05Å; K1039-I1088 HydrophobicContact CD-CD1 4.22Å; K1039-I1088 HydrophobicContact CD-CG1 4.3Å; K1039-I1088 HydrophobicContact CG-CG1 4.35Å; K1039-I1088 PolarHBondContact O-N 3.46Å; K1039-D1089 HydrophobicContact CB-CB 3.85Å; K1039-D1089 HydrophobicContact CD-CB 4.32Å; K1039-D1089 PolarHBondContact N-O 2.72Å |
| 1040 | G | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 160.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1042 D1043 L1044 R1084 | G1040-N1042 PolarHBondContact O-N 3.07Å; G1040-D1043 PolarHBondContact O-N 3.12Å; G1040-L1044 PolarHBondContact N-O 2.6Å; G1040-R1084 CarbonylContact C-O 3.59Å; G1040-R1084 WeakPolarHBondContact CA-O 3.43Å |
| 1041 | A | 93 | Very high | 94.5 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 26% | 0.256 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -2.2 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1004 R1084 P1086 I1088 | R1004-A1041 VanDerWaalsContact NH2-CB 3.29Å; A1041-R1084 PolarHBondContact N-O 3.07Å; A1041-P1086 HydrophobicContact CB-CG 4.43Å; A1041-P1086 VanDerWaalsContact CB-O 3.3Å; A1041-P1086 WeakPolarHBondContact CB-O 3.37Å; A1041-P1086 PolarHBondContact N-O 3.2Å; A1041-I1088 HydrophobicContact CB-CG2 3.93Å |
| 1042 | N | 91.2 | Very high | 94.4 | Very high | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 28.3 | 170.6 | 66.7 | -14.1 | 0 | 0 | 0 | 112.3 | G1040 L1044 | G1040-N1042 PolarHBondContact O-N 3.07Å; N1042-L1044 WeakPolarHBondContact ND2-CD1 3.24Å; N1042-L1044 PolarHBondContact O-N 3.33Å |
| 1043 | D | 92.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 52% | 0.519 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 59.5 | 7.8 | -178.9 | -71.5 | -68.1 | 0 | 0 | 0 | 116.3 | K1039 G1040 | K1039-D1043 VanDerWaalsContact CE-OD1 3.27Å; K1039-D1043 WeakPolarHBondContact CE-OD1 3.38Å; K1039-D1043 IonicContact NZ-OD1 2.63Å; K1039-D1043 PolarHBondContact NZ-OD1 3.17Å; G1040-D1043 PolarHBondContact O-N 3.12Å |
| 1044 | L | 94.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 53.6 Ų | 53.6 | 39% | 0.387 | 28% | 0.281 | S | S | . | . | trans | -83.1 | 130.2 | 178.3 | -60.6 | -177.3 | 0 | 0 | 0 | 112 | G1040 N1042 F1054 | G1040-L1044 PolarHBondContact N-O 2.6Å; N1042-L1044 WeakPolarHBondContact ND2-CD1 3.24Å; N1042-L1044 PolarHBondContact O-N 3.33Å; L1044-F1054 HydrophobicContact CB-CE1 4.13Å; L1044-F1054 HydrophobicContact CD1-CE1 3.5Å; L1044-F1054 VanDerWaalsContact CD1-CE1 3.5Å; L1044-F1054 HydrophobicContact CD1-CZ 3.77Å; L1044-F1054 HydrophobicContact CG-CE1 4.44Å | ||
| 1045 | D | 95.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 31% | 0.31 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 140.6 | 171.9 | -61.6 | -15.1 | 0 | 0 | 0 | 112.2 | W974 V1037 L1038 K1047 | W974-D1045 WeakPolarHBondContact CZ2-OD1 3.3Å; V1037-D1045 HydrophobicContact CG1-CB 3.97Å; L1038-D1045 CarbonylContact O-C 3.53Å; D1045-K1047 HydrophobicContact CB-CD 4.36Å; D1045-K1047 HydrophobicContact CB-CG 4.22Å; D1045-K1047 VanDerWaalsContact CG-CE 3.49Å; D1045-K1047 WeakPolarHBondContact OD2-CE 3.36Å; D1045-K1047 IonicContact OD2-NZ 2.67Å; D1045-K1047 PolarHBondContact OD2-NZ 3.06Å |
| 1046 | I | 96.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.3 | 169.9 | -50.7 | 162.4 | 0 | 0 | 0 | 107 | L1038 F1054 Y1056 Y1077 | L1038-I1046 HydrophobicContact CB-CB 4.28Å; L1038-I1046 PolarHBondContact N-O 3.3Å; L1038-I1046 PolarHBondContact O-N 3.22Å; I1046-F1054 CarbonylContact C-O 3.06Å; I1046-F1054 WeakPolarHBondContact CA-O 3.49Å; I1046-F1054 WeakPolarHBondContact CG2-O 3.45Å; I1046-Y1056 HydrophobicContact CG2-CD1 3.93Å; I1046-Y1056 HydrophobicContact CG2-CG 4.43Å; I1046-Y1077 HydrophobicContact CD1-CD1 3.63Å; I1046-Y1077 HydrophobicContact CD1-CD2 4.45Å; I1046-Y1077 HydrophobicContact CD1-CE1 3.71Å; I1046-Y1077 HydrophobicContact CD1-CG 4Å; I1046-Y1077 HydrophobicContact CG1-CE1 4.38Å; I1046-Y1077 HydrophobicContact CG2-CD2 3.58Å; I1046-Y1077 HydrophobicContact CG2-CE2 3.77Å; I1046-Y1077 HydrophobicContact CG2-CG 4.05Å |
| 1047 | K | 95.9 | Very high | 94.5 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -131.2 | 165.8 | -164.7 | -58.1 | -169.3 | -174.4 | -173.7 | 0 | 112.8 | V1037 D1045 F1054 R1055 Y1056 | V1037-K1047 HydrophobicContact CG1-CG 4.07Å; V1037-K1047 HydrophobicContact CG2-CD 4.45Å; V1037-K1047 HydrophobicContact CG2-CG 4.25Å; D1045-K1047 HydrophobicContact CB-CD 4.36Å; D1045-K1047 HydrophobicContact CB-CG 4.22Å; D1045-K1047 VanDerWaalsContact CG-CE 3.49Å; D1045-K1047 WeakPolarHBondContact OD2-CE 3.36Å; D1045-K1047 IonicContact OD2-NZ 2.67Å; D1045-K1047 PolarHBondContact OD2-NZ 3.06Å; K1047-F1054 PolarHBondContact N-O 2.86Å; K1047-R1055 VanDerWaalsContact O-CA 3.3Å; K1047-R1055 WeakPolarHBondContact O-CA 3.34Å; K1047-R1055 WeakPolarHBondContact O-CG 3.5Å; K1047-Y1056 VanDerWaalsContact C-CE1 3.49Å; K1047-Y1056 PolarHBondContact O-N 2.95Å |
| 1048 | A | 95.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 7% | 0.066 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -67.1 | -35.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1024 L1032 A1035 R1055 Y1056 | Y1024-A1048 HydrophobicContact CD2-CB 3.89Å; Y1024-A1048 HydrophobicContact CE2-CB 3.54Å; L1032-A1048 HydrophobicContact CB-CB 3.96Å; L1032-A1048 HydrophobicContact CD1-CB 4.17Å; A1035-A1048 HydrophobicContact CB-CB 3.49Å; A1035-A1048 VanDerWaalsContact CB-CB 3.49Å; A1048-R1055 VanDerWaalsContact O-CD 3.24Å; A1048-R1055 WeakPolarHBondContact O-CD 3.37Å; A1048-R1055 VanDerWaalsContact O-CG 3.32Å; A1048-R1055 WeakPolarHBondContact O-CG 3.49Å; A1048-Y1056 HydrophobicContact CB-CE2 4.11Å; A1048-Y1056 PolarHBondContact N-OH 2.99Å |
| 1049 | E | 92.9 | Very high | 94.4 | Very high | 111 Ų | 111 | 68.1 Ų | 68.1 | 52% | 0.519 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -128 | 150.2 | -174.7 | -65 | -176.9 | 157.1 | 0 | 0 | 111 | L1032 | L1032-E1049 HydrophobicContact CB-CG 3.97Å; L1032-E1049 HydrophobicContact CD1-CG 3.86Å; L1032-E1049 HydrophobicContact CG-CG 4.47Å |
| 1050 | G | 91.3 | Very high | 94.4 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 123.6 | -146.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1052 | G1050-I1052 PolarHBondContact O-N 3.3Š|
| 1051 | N | 92.4 | Very high | 94.5 | Very high | 93 Ų | 93 | 73.2 Ų | 73.2 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -65 | 125.5 | -178.7 | -177.9 | -28 | 0 | 0 | 0 | 110.8 | R1053 F1054 R1055 | N1051-R1053 PolarHBondContact O-N 2.78Å; N1051-R1053 WeakPolarHBondContact OD1-CB 3.29Å; N1051-R1053 PolarHBondContact OD1-N 3.42Å; N1051-F1054 HydrophobicContact CB-CD2 4.24Å; N1051-F1054 CarbonylContact O-C 3.57Å; N1051-F1054 PolarHBondContact O-N 2.96Å; N1051-R1055 PolarHBondContact O-N 3.47Å | ||
| 1052 | I | 90.8 | Very high | 94.6 | Very high | 132 Ų | 132 | 75 Ų | 75 | 68% | 0.677 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -52.4 | -28 | -179 | 63.1 | 175.2 | 0 | 0 | 0 | 114.1 | G1050 F1054 R1055 | G1050-I1052 PolarHBondContact O-N 3.3Å; I1052-F1054 PolarHBondContact O-N 3.03Å; I1052-R1055 PolarHBondContact O-N 3.25Å |
| 1053 | R | 92.6 | Very high | 94.8 | Very high | 178 Ų | 178 | 72.3 Ų | 72.3 | 67% | 0.672 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -71.2 | -16.2 | 177.5 | -63.9 | -177.4 | 176.1 | 175.8 | -1.3 | 113.4 | N1051 Y1077 R1084 | N1051-R1053 PolarHBondContact O-N 2.78Å; N1051-R1053 WeakPolarHBondContact OD1-CB 3.29Å; N1051-R1053 PolarHBondContact OD1-N 3.42Å; R1053-Y1077 PolarHBondContact O-OH 3.47Å; R1053-R1084 PolarHBondContact O-NH1 3.13Å |
| 1054 | F | 95.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 69 Ų | 69 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -123.1 | 23.5 | -179.1 | -62.3 | -77.3 | 0 | 0 | 0 | 111.4 | L1044 I1046 K1047 N1051 I1052 | L1044-F1054 HydrophobicContact CB-CE1 4.13Å; L1044-F1054 HydrophobicContact CD1-CE1 3.5Å; L1044-F1054 VanDerWaalsContact CD1-CE1 3.5Å; L1044-F1054 HydrophobicContact CD1-CZ 3.77Å; L1044-F1054 HydrophobicContact CG-CE1 4.44Å; I1046-F1054 CarbonylContact C-O 3.06Å; I1046-F1054 WeakPolarHBondContact CA-O 3.49Å; I1046-F1054 WeakPolarHBondContact CG2-O 3.45Å; K1047-F1054 PolarHBondContact N-O 2.86Å; N1051-F1054 HydrophobicContact CB-CD2 4.24Å; N1051-F1054 CarbonylContact O-C 3.57Å; N1051-F1054 PolarHBondContact O-N 2.96Å; I1052-F1054 PolarHBondContact O-N 3.03Å |
| 1055 | R | 95.8 | Very high | 94.7 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -103.1 | 125.8 | 176.4 | -160.5 | -177.9 | 65 | 179.5 | 0.3 | 109.9 | K1047 A1048 N1051 I1052 | K1047-R1055 VanDerWaalsContact O-CA 3.3Å; K1047-R1055 WeakPolarHBondContact O-CA 3.34Å; K1047-R1055 WeakPolarHBondContact O-CG 3.5Å; A1048-R1055 VanDerWaalsContact O-CD 3.24Å; A1048-R1055 WeakPolarHBondContact O-CD 3.37Å; A1048-R1055 VanDerWaalsContact O-CG 3.32Å; A1048-R1055 WeakPolarHBondContact O-CG 3.49Å; N1051-R1055 PolarHBondContact O-N 3.47Å; I1052-R1055 PolarHBondContact O-N 3.25Å |
| 1056 | Y | 96.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 73.9 Ų | 73.9 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | trans | -77.2 | 164.9 | 167.1 | 54 | -117.2 | 0 | 0 | 0 | 110.6 | Y1024 A1035 V1036 L1038 I1046 K1047 A1048 V1058 F1075 E1076 | Y1024-Y1056 AromaticContact CD2-CE2 3.8Å; Y1024-Y1056 HydrophobicContact CD2-CE2 3.8Å; Y1024-Y1056 AromaticContact CE2-CE2 3.81Å; Y1024-Y1056 HydrophobicContact CE2-CE2 3.81Å; A1035-Y1056 WeakPolarHBondContact CB-OH 3.29Å; V1036-Y1056 VanDerWaalsContact O-CE1 3.24Å; V1036-Y1056 WeakPolarHBondContact O-CE1 3.17Å; V1036-Y1056 PolarHBondContact O-OH 2.87Å; L1038-Y1056 HydrophobicContact CD1-CD1 3.7Å; L1038-Y1056 HydrophobicContact CD1-CE1 4.26Å; L1038-Y1056 HydrophobicContact CD1-CG 4.33Å; L1038-Y1056 HydrophobicContact CG-CD1 4.06Å; L1038-Y1056 HydrophobicContact CG-CE1 4.2Å; I1046-Y1056 HydrophobicContact CG2-CD1 3.93Å; I1046-Y1056 HydrophobicContact CG2-CG 4.43Å; K1047-Y1056 VanDerWaalsContact C-CE1 3.49Å; K1047-Y1056 PolarHBondContact O-N 2.95Å; A1048-Y1056 HydrophobicContact CB-CE2 4.11Å; A1048-Y1056 PolarHBondContact N-OH 2.99Å; Y1056-V1058 HydrophobicContact CD2-CG2 4.1Å; Y1056-V1058 HydrophobicContact CE2-CG2 4.01Å; Y1056-F1075 HydrophobicContact CD1-CD1 4.47Å; Y1056-F1075 AromaticContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CE1 4.2Å; Y1056-F1075 HydrophobicContact CE1-CD1 4.29Å; Y1056-F1075 HydrophobicContact CE1-CE1 4.45Å; Y1056-F1075 AromaticContact CE2-CD1 3.39Å; Y1056-F1075 HydrophobicContact CE2-CD1 3.39Å; Y1056-F1075 AromaticContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CG-CD1 4.14Å; Y1056-F1075 AromaticContact CZ-CD1 3.75Å; Y1056-F1075 AromaticContact CZ-CE1 3.64Å; Y1056-E1076 WeakPolarHBondContact CB-O 3.48Å | ||
| 1057 | I | 96.3 | Very high | 94.1 | Very high | 87 Ų | 87 | 78.2 Ų | 78.2 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 161 | 166.8 | 57.7 | 173.6 | 0 | 0 | 0 | 109.5 | F1075 E1076 | I1057-F1075 WeakPolarHBondContact O-CA 3.43Å; I1057-E1076 HydrophobicContact CD1-CB 4.33Å; I1057-E1076 HydrophobicContact CD1-CG 4.15Å; I1057-E1076 HydrophobicContact CG1-CB 3.86Å; I1057-E1076 HydrophobicContact CG1-CG 4.07Å; I1057-E1076 WeakPolarHBondContact CG1-O 3.4Å; I1057-E1076 PolarHBondContact N-O 2.83Å; I1057-E1076 PolarHBondContact O-N 3.29Å |
| 1058 | V | 97 | Very high | 93.7 | Very high | 40 Ų | 40 | 76 Ų | 76 | 24% | 0.242 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 115.8 | -177 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | Y1024 Y1056 Q1060 D1061 T1073 V1074 F1075 | Y1024-V1058 HydrophobicContact CD1-CB 4.4Å; Y1024-V1058 HydrophobicContact CD1-CG1 4.38Å; Y1024-V1058 HydrophobicContact CD1-CG2 3.93Å; Y1024-V1058 HydrophobicContact CD2-CG2 3.68Å; Y1024-V1058 HydrophobicContact CE1-CB 4.36Å; Y1024-V1058 HydrophobicContact CE1-CG2 3.98Å; Y1024-V1058 HydrophobicContact CE2-CG2 3.71Å; Y1024-V1058 HydrophobicContact CG-CG2 3.78Å; Y1056-V1058 HydrophobicContact CD2-CG2 4.1Å; Y1056-V1058 HydrophobicContact CE2-CG2 4.01Å; V1058-Q1060 WeakPolarHBondContact CG1-O 3.43Å; V1058-D1061 HydrophobicContact CG1-CB 4.04Å; V1058-T1073 HydrophobicContact CG1-CG2 3.74Å; V1058-V1074 WeakPolarHBondContact CA-O 3.29Å; V1058-F1075 HydrophobicContact CG2-CD1 3.76Å; V1058-F1075 HydrophobicContact CG2-CE1 3.97Å |
| 1059 | L | 96.3 | Very high | 93.6 | Very high | 99 Ų | 99 | 80.6 Ų | 80.6 | 52% | 0.518 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -30.1 | -178 | -63.3 | 178.6 | 0 | 0 | 0 | 112 | V1074 E1076 | L1059-V1074 HydrophobicContact CB-CB 4.38Å; L1059-V1074 HydrophobicContact CB-CG1 4.25Å; L1059-V1074 HydrophobicContact CD1-CG1 4.28Å; L1059-V1074 PolarHBondContact N-O 3.13Å; L1059-E1076 HydrophobicContact CD1-CB 4.02Å; L1059-E1076 HydrophobicContact CG-CB 4.16Å |
| 1060 | Q | 96 | Very high | 93.7 | Very high | 89 Ų | 89 | 79.2 Ų | 79.2 | 42% | 0.416 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 134.5 | 176.6 | -175.6 | 175.2 | 31 | 0 | 0 | 108.8 | V1058 T1062 T1073 V1074 | V1058-Q1060 WeakPolarHBondContact CG1-O 3.43Å; Q1060-T1062 HydrophobicContact CG-CG2 4.38Å; Q1060-T1073 CarbonylContact O-C 3.54Å; Q1060-T1073 VanDerWaalsContact O-CA 3.26Å; Q1060-T1073 WeakPolarHBondContact O-CA 3.26Å; Q1060-V1074 HydrophobicContact CB-CB 4.31Å; Q1060-V1074 HydrophobicContact CB-CG2 4.23Å; Q1060-V1074 PolarHBondContact O-N 2.98Å |
| 1061 | D | 96.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 76.8 Ų | 76.8 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 119.4 | 166.3 | -169 | 13.7 | 0 | 0 | 0 | 110.5 | M1025 V1058 C1063 T1073 | M1025-D1061 PolarHBondContact N-OD2 2.95Å; M1025-D1061 VanDerWaalsContact N-OD2 3.1Å; V1058-D1061 HydrophobicContact CG1-CB 4.04Å; D1061-C1063 PolarHBondContact OD1-N 2.86Å; D1061-T1073 HydrophobicContact CB-CG2 4.09Å; D1061-T1073 PolarHBondContact OD1-OG1 3.16Å |
| 1062 | T | 95.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 76.2 Ų | 76.2 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | trans | -122.6 | 3.1 | 169.7 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | Q1060 S1064 K1072 | Q1060-T1062 HydrophobicContact CG-CG2 4.38Å; T1062-S1064 VanDerWaalsContact C-N 3.28Å; T1062-S1064 PolarHBondContact O-N 2.7Å; T1062-K1072 PolarHBondContact N-O 3.02Å; T1062-K1072 PolarHBondContact OG1-N 2.91Å; T1062-K1072 PolarHBondContact OG1-O 3.35Å | ||
| 1063 | C | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | trans | -92.6 | 29.9 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | C1018 V1022 G1023 D1061 K1072 T1073 | C1018-C1063 HydrophobicContact CB-CB 3.83Å; C1018-C1063 WeakPolarHBondContact CB-SG 3.32Å; C1018-C1063 VanDerWaalsContact SG-CA 3.5Å; C1018-C1063 WeakPolarHBondContact SG-CB 3.02Å; C1018-C1063 CovalentContact SG-SG 2.02Å; C1018-C1063 PolarHBondContact SG-SG 3.03Å; V1022-C1063 VanDerWaalsContact CA-O 3.27Å; V1022-C1063 WeakPolarHBondContact CA-O 3.1Å; G1023-C1063 PolarHBondContact N-O 3.49Å; D1061-C1063 PolarHBondContact OD1-N 2.86Å; C1063-K1072 VanDerWaalsContact SG-CA 3.51Å; C1063-T1073 VanDerWaalsContact CB-OG1 3.26Å; C1063-T1073 WeakPolarHBondContact CB-OG1 3.26Å; C1063-T1073 PolarHBondContact SG-OG1 3.39Å; C1063-T1073 VanDerWaalsContact SG-OG1 3.38Å | ||
| 1064 | S | 93.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 62.4 Ų | 62.4 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -85.1 | -9.9 | -174.5 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | M1025 D1027 T1062 | M1025-S1064 WeakPolarHBondContact O-CA 3.45Å; M1025-S1064 WeakPolarHBondContact O-CB 3.26Å; D1027-S1064 VanDerWaalsContact CB-O 3.27Å; D1027-S1064 WeakPolarHBondContact CB-O 3.24Å; D1027-S1064 PolarHBondContact N-O 3.17Å; T1062-S1064 VanDerWaalsContact C-N 3.28Å; T1062-S1064 PolarHBondContact O-N 2.7Å |
| 1065 | K | 91.2 | Very high | 94.9 | Very high | 112 Ų | 112 | 59.8 Ų | 59.8 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -139.6 | 142.5 | -178.8 | -37.1 | -161.7 | -167.6 | -149.2 | 0 | 111.4 | D1027 N1067 | D1027-K1065 HydrophobicContact CB-CD 4.26Å; D1027-K1065 HydrophobicContact CB-CG 3.9Å; D1027-K1065 WeakPolarHBondContact OD2-CE 3.45Å; D1027-K1065 IonicContact OD2-NZ 3.49Å; D1027-K1065 PolarHBondContact OD2-NZ 2.93Å; K1065-N1067 PolarHBondContact O-N 3.04Å |
| 1066 | R | 89.7 | Confident | 94.9 | Very high | 121 Ų | 121 | 55.4 Ų | 55.4 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | trans | -84.2 | 97.8 | 168.9 | -52 | -173.3 | -168.2 | 156.3 | 1.8 | 109.3 | N1020 D1094 | N1020-R1066 HydrophobicContact CB-CB 4.32Å; N1020-R1066 WeakPolarHBondContact O-CD 3.41Å; N1020-R1066 WeakPolarHBondContact O-CG 3.39Å; R1066-D1094 IonicContact CZ-OD1 2.69Å; R1066-D1094 VanDerWaalsContact CZ-OD1 3.31Å; R1066-D1094 IonicContact CZ-OD2 3.9Å; R1066-D1094 VanDerWaalsContact CZ-OD2 3.3Å; R1066-D1094 IonicContact NE-OD1 2.63Å; R1066-D1094 IonicContact NE-OD2 3.69Å; R1066-D1094 PolarHBondContact NE-OD2 2.93Å; R1066-D1094 IonicContact NH2-OD1 2.64Å; R1066-D1094 PolarHBondContact NH2-OD1 3.22Å; R1066-D1094 IonicContact NH2-OD2 3.48Å; R1066-D1094 PolarHBondContact NH2-OD2 3.22Å | ||
| 1067 | N | 88.4 | Confident | 95 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -127.2 | 12.7 | -171.4 | 67.4 | -2.4 | 0 | 0 | 0 | 114.3 | N1020 K1065 N1069 | N1020-N1067 PolarHBondContact OD1-N 2.8Å; K1065-N1067 PolarHBondContact O-N 3.04Å; N1067-N1069 PolarHBondContact ND2-ND2 2.87Å; N1067-N1069 PolarHBondContact O-N 2.85Å; N1067-N1069 WeakPolarHBondContact OD1-CB 3.44Å; N1067-N1069 PolarHBondContact OD1-N 2.72Å |
| 1068 | G | 88.8 | Confident | 95 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 38% | 0.381 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 78.7 | -18.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1019 N1020 | K1019-G1068 WeakPolarHBondContact CE-O 3.27Å; N1020-G1068 VanDerWaalsContact OD1-CA 3.31Å; N1020-G1068 WeakPolarHBondContact OD1-CA 3.36Å; N1020-G1068 PolarHBondContact OD1-N 3.34Å |
| 1069 | N | 92.7 | Very high | 95 | Very high | 104 Ų | 104 | 56.4 Ų | 56.4 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -81.6 | 160 | -177.2 | -59.5 | -47.1 | 0 | 0 | 0 | 111.9 | N1067 | N1067-N1069 PolarHBondContact ND2-ND2 2.87Å; N1067-N1069 PolarHBondContact O-N 2.85Å; N1067-N1069 WeakPolarHBondContact OD1-CB 3.44Å; N1067-N1069 PolarHBondContact OD1-N 2.72Å |
| 1070 | V | 95.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 129 | 168.2 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | I1017 C1018 K1019 | I1017-V1070 HydrophobicContact CG2-CG1 3.67Å; C1018-V1070 CarbonylContact O-C 3.49Å; C1018-V1070 VanDerWaalsContact O-CA 3.31Å; C1018-V1070 WeakPolarHBondContact O-CA 3.15Å; K1019-V1070 HydrophobicContact CB-CG2 4.44Å |
| 1071 | G | 95.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | -179.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1017 C1018 | I1017-G1071 WeakPolarHBondContact CG2-O 3.46Å; C1018-G1071 PolarHBondContact N-O 2.8Å; C1018-G1071 PolarHBondContact O-N 2.78Å; C1018-G1071 PolarHBondContact SG-O 2.93Å |
| 1072 | K | 96.9 | Very high | 94.8 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.2 | 169.1 | 69 | 179.9 | -172 | 170.8 | 0 | 113.7 | T1015 Y1016 T1062 C1063 V1074 | T1015-K1072 HydrophobicContact CG2-CB 3.71Å; T1015-K1072 HydrophobicContact CG2-CD 3.82Å; T1015-K1072 HydrophobicContact CG2-CG 4.26Å; Y1016-K1072 CarbonylContact O-C 3.5Å; Y1016-K1072 VanDerWaalsContact O-CA 3.24Å; Y1016-K1072 WeakPolarHBondContact O-CA 3.48Å; T1062-K1072 PolarHBondContact N-O 3.02Å; T1062-K1072 PolarHBondContact OG1-N 2.91Å; T1062-K1072 PolarHBondContact OG1-O 3.35Å; C1063-K1072 VanDerWaalsContact SG-CA 3.51Å; K1072-V1074 HydrophobicContact CD-CG2 4.4Å |
| 1073 | T | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.9 | 166.5 | -49 | 0 | 0 | 0 | 0 | 108.1 | T1015 Y1016 V1058 Q1060 D1061 C1063 F1075 | T1015-T1073 CarbonylContact C-O 3.59Å; T1015-T1073 WeakPolarHBondContact CA-O 3.48Å; Y1016-T1073 PolarHBondContact N-O 2.87Å; Y1016-T1073 PolarHBondContact O-N 3.04Å; V1058-T1073 HydrophobicContact CG1-CG2 3.74Å; Q1060-T1073 CarbonylContact O-C 3.54Å; Q1060-T1073 VanDerWaalsContact O-CA 3.26Å; Q1060-T1073 WeakPolarHBondContact O-CA 3.26Å; D1061-T1073 HydrophobicContact CB-CG2 4.09Å; D1061-T1073 PolarHBondContact OD1-OG1 3.16Å; C1063-T1073 VanDerWaalsContact CB-OG1 3.26Å; C1063-T1073 WeakPolarHBondContact CB-OG1 3.26Å; C1063-T1073 PolarHBondContact SG-OG1 3.39Å; C1063-T1073 VanDerWaalsContact SG-OG1 3.38Å; T1073-F1075 HydrophobicContact CG2-CD1 4.37Å; T1073-F1075 HydrophobicContact CG2-CE1 3.75Å; T1073-F1075 HydrophobicContact CG2-CE2 3.96Å; T1073-F1075 HydrophobicContact CG2-CZ 3.52Å |
| 1074 | V | 97.9 | Very high | 94.7 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 113 | 179.1 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | T1015 V1058 L1059 Q1060 K1072 | T1015-V1074 HydrophobicContact CG2-CG2 4.19Å; V1058-V1074 WeakPolarHBondContact CA-O 3.29Å; L1059-V1074 HydrophobicContact CB-CB 4.38Å; L1059-V1074 HydrophobicContact CB-CG1 4.25Å; L1059-V1074 HydrophobicContact CD1-CG1 4.28Å; L1059-V1074 PolarHBondContact N-O 3.13Å; Q1060-V1074 HydrophobicContact CB-CB 4.31Å; Q1060-V1074 HydrophobicContact CB-CG2 4.23Å; Q1060-V1074 PolarHBondContact O-N 2.98Å; K1072-V1074 HydrophobicContact CD-CG2 4.4Å |
| 1075 | F | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 143.2 | 175.4 | -53.4 | -82.1 | 0 | 0 | 0 | 110.1 | N1013 I1014 G1023 Y1024 V1036 L1038 Y1056 I1057 V1058 T1073 | N1013-F1075 CarbonylContact C-O 3.58Å; N1013-F1075 VanDerWaalsContact CA-O 3.25Å; N1013-F1075 WeakPolarHBondContact CA-O 3.35Å; I1014-F1075 HydrophobicContact CG2-CB 3.87Å; I1014-F1075 HydrophobicContact CG2-CD2 4.19Å; I1014-F1075 HydrophobicContact CG2-CG 4.48Å; I1014-F1075 PolarHBondContact N-O 2.85Å; I1014-F1075 PolarHBondContact O-N 3.46Å; G1023-F1075 WeakPolarHBondContact O-CZ 3.43Å; Y1024-F1075 HydrophobicContact CD2-CE1 4.33Å; V1036-F1075 HydrophobicContact CB-CE2 4.11Å; V1036-F1075 HydrophobicContact CB-CZ 3.83Å; V1036-F1075 HydrophobicContact CG1-CE2 4.41Å; V1036-F1075 HydrophobicContact CG2-CE2 4.38Å; V1036-F1075 HydrophobicContact CG2-CZ 4.18Å; L1038-F1075 HydrophobicContact CD1-CB 4.15Å; L1038-F1075 HydrophobicContact CD1-CG 4.49Å; Y1056-F1075 HydrophobicContact CD1-CD1 4.47Å; Y1056-F1075 AromaticContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CE1 4.2Å; Y1056-F1075 HydrophobicContact CE1-CD1 4.29Å; Y1056-F1075 HydrophobicContact CE1-CE1 4.45Å; Y1056-F1075 AromaticContact CE2-CD1 3.39Å; Y1056-F1075 HydrophobicContact CE2-CD1 3.39Å; Y1056-F1075 AromaticContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CG-CD1 4.14Å; Y1056-F1075 AromaticContact CZ-CD1 3.75Å; Y1056-F1075 AromaticContact CZ-CE1 3.64Å; I1057-F1075 WeakPolarHBondContact O-CA 3.43Å; V1058-F1075 HydrophobicContact CG2-CD1 3.76Å; V1058-F1075 HydrophobicContact CG2-CE1 3.97Å; T1073-F1075 HydrophobicContact CG2-CD1 4.37Å; T1073-F1075 HydrophobicContact CG2-CE1 3.75Å; T1073-F1075 HydrophobicContact CG2-CE2 3.96Å; T1073-F1075 HydrophobicContact CG2-CZ 3.52Å |
| 1076 | E | 97.4 | Very high | 95 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.2 | 166.8 | 166.1 | 174.3 | -161.3 | 0 | 0 | 108.6 | N1013 Y1056 I1057 L1059 | N1013-E1076 WeakPolarHBondContact OD1-CB 3.29Å; N1013-E1076 WeakPolarHBondContact OD1-CG 3.41Å; Y1056-E1076 WeakPolarHBondContact CB-O 3.48Å; I1057-E1076 HydrophobicContact CD1-CB 4.33Å; I1057-E1076 HydrophobicContact CD1-CG 4.15Å; I1057-E1076 HydrophobicContact CG1-CB 3.86Å; I1057-E1076 HydrophobicContact CG1-CG 4.07Å; I1057-E1076 WeakPolarHBondContact CG1-O 3.4Å; I1057-E1076 PolarHBondContact N-O 2.83Å; I1057-E1076 PolarHBondContact O-N 3.29Å; L1059-E1076 HydrophobicContact CD1-CB 4.02Å; L1059-E1076 HydrophobicContact CG-CB 4.16Å |
| 1077 | Y | 97.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.6 | 167.6 | -176.6 | -110.8 | 0 | 0 | 0 | 110 | S1011 Q1012 I1046 R1053 T1079 R1084 L1085 | S1011-Y1077 CarbonylContact C-O 3.4Å; S1011-Y1077 WeakPolarHBondContact CA-O 3.43Å; Q1012-Y1077 PolarHBondContact N-O 3.1Å; Q1012-Y1077 PolarHBondContact O-N 2.87Å; I1046-Y1077 HydrophobicContact CD1-CD1 3.63Å; I1046-Y1077 HydrophobicContact CD1-CD2 4.45Å; I1046-Y1077 HydrophobicContact CD1-CE1 3.71Å; I1046-Y1077 HydrophobicContact CD1-CG 4Å; I1046-Y1077 HydrophobicContact CG1-CE1 4.38Å; I1046-Y1077 HydrophobicContact CG2-CD2 3.58Å; I1046-Y1077 HydrophobicContact CG2-CE2 3.77Å; I1046-Y1077 HydrophobicContact CG2-CG 4.05Å; R1053-Y1077 PolarHBondContact O-OH 3.47Å; Y1077-T1079 HydrophobicContact CD1-CG2 4.32Å; Y1077-T1079 HydrophobicContact CE1-CG2 3.58Å; Y1077-R1084 HydrophobicContact CE1-CB 4.35Å; Y1077-R1084 WeakPolarHBondContact OH-CD 3.28Å; Y1077-R1084 PolarHBondContact OH-NH1 2.91Å; Y1077-L1085 HydrophobicContact CD1-CD1 4.23Å; Y1077-L1085 HydrophobicContact CD1-CD2 4Å; Y1077-L1085 HydrophobicContact CD1-CG 4.06Å; Y1077-L1085 HydrophobicContact CE1-CG 4.48Å |
| 1078 | R | 96.4 | Very high | 95.7 | Very high | 131 Ų | 131 | 41.7 Ų | 41.7 | 49% | 0.494 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.9 | -178 | 178.6 | 174.6 | 178.4 | 140.2 | 7.3 | 109.4 | E1009 A1010 | E1009-R1078 HydrophobicContact CG-CG 4.15Å; E1009-R1078 VanDerWaalsContact OE1-CG 3.24Å; E1009-R1078 WeakPolarHBondContact OE1-CG 3.46Å; E1009-R1078 IonicContact OE1-CZ 3.87Å; E1009-R1078 IonicContact OE1-NE 2.93Å; E1009-R1078 PolarHBondContact OE1-NE 3.34Å; E1009-R1078 IonicContact OE1-NH2 3.92Å; E1009-R1078 IonicContact OE2-CZ 3.34Å; E1009-R1078 IonicContact OE2-NE 3.17Å; E1009-R1078 PolarHBondContact OE2-NE 3.14Å; E1009-R1078 IonicContact OE2-NH2 2.7Å; E1009-R1078 PolarHBondContact OE2-NH2 3.01Å; A1010-R1078 CarbonylContact O-C 3.5Å; A1010-R1078 WeakPolarHBondContact O-CA 3.37Å |
| 1079 | T | 96.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 39.9 Ų | 39.9 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 140.2 | -174.3 | -164.2 | 0 | 0 | 0 | 0 | 114.3 | A1010 Y1077 N1081 R1084 L1085 | A1010-T1079 PolarHBondContact N-O 2.79Å; A1010-T1079 PolarHBondContact O-N 2.59Å; Y1077-T1079 HydrophobicContact CD1-CG2 4.32Å; Y1077-T1079 HydrophobicContact CE1-CG2 3.58Å; T1079-N1081 WeakPolarHBondContact CG2-O 3.24Å; T1079-N1081 PolarHBondContact O-N 3Å; T1079-N1081 PolarHBondContact OG1-N 3.33Å; T1079-R1084 HydrophobicContact CG2-CB 4.35Å; T1079-R1084 PolarHBondContact OG1-NH1 3.38Å; T1079-R1084 VanDerWaalsContact OG1-NH1 3.13Å; T1079-L1085 HydrophobicContact CG2-CD1 4.39Å |
| 1080 | Q | 95.4 | Very high | 96.3 | Very high | 163 Ų | 163 | 35 Ų | 35 | 76% | 0.762 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -72 | -13.1 | 168.8 | -66.5 | 172 | -18.2 | 0 | 0 | 113.2 | K1008 V1082 | K1008-Q1080 WeakPolarHBondContact O-CA 3.39Å; Q1080-V1082 PolarHBondContact O-N 3.36Å |
| 1081 | N | 95.3 | Very high | 96.4 | Very high | 76 Ų | 76 | 31 Ų | 31 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | trans | -95.9 | 77 | 172.9 | -169 | -46.7 | 0 | 0 | 0 | 109.4 | T1079 A1083 R1084 | T1079-N1081 WeakPolarHBondContact CG2-O 3.24Å; T1079-N1081 PolarHBondContact O-N 3Å; T1079-N1081 PolarHBondContact OG1-N 3.33Å; N1081-A1083 PolarHBondContact O-N 2.99Å; N1081-R1084 HydrophobicContact CB-CG 4.4Å; N1081-R1084 WeakPolarHBondContact O-CB 3.19Å; N1081-R1084 WeakPolarHBondContact O-CG 3.43Å; N1081-R1084 PolarHBondContact O-N 3.13Å | ||
| 1082 | V | 95.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -57.3 | -19.8 | -174.2 | -60.5 | 0 | 0 | 0 | 0 | 114.6 | R1004 E1009 A1010 Q1080 R1084 L1085 F1111 | R1004-V1082 HydrophobicContact CB-CB 4.49Å; R1004-V1082 HydrophobicContact CB-CG2 3.76Å; R1004-V1082 HydrophobicContact CG-CB 4.19Å; R1004-V1082 HydrophobicContact CG-CG2 3.96Å; R1004-V1082 VanDerWaalsContact O-CG2 3.24Å; R1004-V1082 WeakPolarHBondContact O-CG2 3.33Å; E1009-V1082 VanDerWaalsContact C-CG1 3.45Å; A1010-V1082 HydrophobicContact CB-CB 4.1Å; A1010-V1082 HydrophobicContact CB-CG1 3.79Å; Q1080-V1082 PolarHBondContact O-N 3.36Å; V1082-R1084 PolarHBondContact O-N 3.48Å; V1082-L1085 PolarHBondContact O-N 3.38Å; V1082-F1111 HydrophobicContact CB-CD1 4.49Å; V1082-F1111 HydrophobicContact CB-CE1 4.43Å |
| 1083 | A | 93.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 36% | 0.364 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -66.8 | -13.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1081 | N1081-A1083 PolarHBondContact O-N 2.99Š|
| 1084 | R | 94.9 | Very high | 96 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 9% | 0.087 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -80.7 | -24 | 176.1 | -63.3 | 168.1 | 177.7 | -177.6 | -13.7 | 113.8 | G1040 A1041 R1053 Y1077 T1079 N1081 V1082 | G1040-R1084 CarbonylContact C-O 3.59Å; G1040-R1084 WeakPolarHBondContact CA-O 3.43Å; A1041-R1084 PolarHBondContact N-O 3.07Å; R1053-R1084 PolarHBondContact O-NH1 3.13Å; Y1077-R1084 HydrophobicContact CE1-CB 4.35Å; Y1077-R1084 WeakPolarHBondContact OH-CD 3.28Å; Y1077-R1084 PolarHBondContact OH-NH1 2.91Å; T1079-R1084 HydrophobicContact CG2-CB 4.35Å; T1079-R1084 PolarHBondContact OG1-NH1 3.38Å; T1079-R1084 VanDerWaalsContact OG1-NH1 3.13Å; N1081-R1084 HydrophobicContact CB-CG 4.4Å; N1081-R1084 WeakPolarHBondContact O-CB 3.19Å; N1081-R1084 WeakPolarHBondContact O-CG 3.43Å; N1081-R1084 PolarHBondContact O-N 3.13Å; V1082-R1084 PolarHBondContact O-N 3.48Å |
| 1085 | L | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -101.3 | 151.9 | 179.3 | -79.8 | 174.8 | 0 | 0 | 0 | 110.2 | R1004 A1010 Q1012 Y1077 T1079 V1082 I1087 V1109 | R1004-L1085 PolarHBondContact NE-O 3.35Å; R1004-L1085 PolarHBondContact NH2-O 2.85Å; A1010-L1085 HydrophobicContact CB-CB 4.2Å; A1010-L1085 HydrophobicContact CB-CD1 3.73Å; A1010-L1085 WeakPolarHBondContact O-CD1 3.43Å; Q1012-L1085 HydrophobicContact CB-CD1 4.27Å; Q1012-L1085 HydrophobicContact CB-CD2 3.78Å; Y1077-L1085 HydrophobicContact CD1-CD1 4.23Å; Y1077-L1085 HydrophobicContact CD1-CD2 4Å; Y1077-L1085 HydrophobicContact CD1-CG 4.06Å; Y1077-L1085 HydrophobicContact CE1-CG 4.48Å; T1079-L1085 HydrophobicContact CG2-CD1 4.39Å; V1082-L1085 PolarHBondContact O-N 3.38Å; L1085-I1087 HydrophobicContact CD2-CG1 3.94Å; L1085-V1109 HydrophobicContact CB-CG2 3.94Å | ||
| 1086 | P | 96.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | S | Bend | cis | -75.8 | 176.6 | 4.3 | 31 | -36.8 | 0 | 0 | 0 | 114.2 | Y987 M1000 A1041 V1109 | Y987-P1086 HydrophobicContact CD1-CB 4.36Å; Y987-P1086 HydrophobicContact CD2-CB 4Å; Y987-P1086 HydrophobicContact CD2-CG 3.62Å; Y987-P1086 HydrophobicContact CE1-CB 3.91Å; Y987-P1086 HydrophobicContact CE2-CB 3.51Å; Y987-P1086 HydrophobicContact CE2-CG 3.53Å; Y987-P1086 HydrophobicContact CG-CB 4.43Å; Y987-P1086 HydrophobicContact CG-CG 4.23Å; Y987-P1086 VanDerWaalsContact CZ-CB 3.48Å; M1000-P1086 VanDerWaalsContact CE-CD 3.47Å; M1000-P1086 HydrophobicContact CE-CG 3.72Å; M1000-P1086 WeakPolarHBondContact SD-CD 3.48Å; M1000-P1086 HydrophobicContact SD-CG 3.85Å; A1041-P1086 HydrophobicContact CB-CG 4.43Å; A1041-P1086 VanDerWaalsContact CB-O 3.3Å; A1041-P1086 WeakPolarHBondContact CB-O 3.37Å; A1041-P1086 PolarHBondContact N-O 3.2Å; P1086-V1109 HydrophobicContact CB-CB 3.92Å; P1086-V1109 HydrophobicContact CB-CG1 3.93Å; P1086-V1109 HydrophobicContact CB-CG2 4.11Å |
| 1087 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.8 | 165.3 | -60.1 | 161.4 | 0 | 0 | 0 | 108.3 | F985 Y987 Q1012 I1014 L1038 K1039 L1085 D1089 | F985-I1087 HydrophobicContact CD2-CG2 4.23Å; F985-I1087 HydrophobicContact CE2-CG2 4.2Å; Y987-I1087 WeakPolarHBondContact CE2-O 3.4Å; Y987-I1087 PolarHBondContact OH-O 2.77Å; Q1012-I1087 HydrophobicContact CB-CD1 4.4Å; Q1012-I1087 HydrophobicContact CG-CD1 4.19Å; I1014-I1087 HydrophobicContact CB-CD1 4.2Å; I1014-I1087 HydrophobicContact CD1-CD1 4.49Å; I1014-I1087 HydrophobicContact CD1-CG2 4.14Å; I1014-I1087 HydrophobicContact CG2-CD1 3.8Å; L1038-I1087 HydrophobicContact CB-CG2 4.19Å; L1038-I1087 HydrophobicContact CD1-CD1 4.03Å; K1039-I1087 CarbonylContact O-C 3.54Å; K1039-I1087 VanDerWaalsContact O-CA 3.26Å; K1039-I1087 WeakPolarHBondContact O-CA 3.39Å; L1085-I1087 HydrophobicContact CD2-CG1 3.94Å; I1087-D1089 WeakPolarHBondContact CG2-O 3.36Å |
| 1088 | I | 95.6 | Very high | 94.4 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.138 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -19.1 | -178.1 | 61.9 | 171 | 0 | 0 | 0 | 113.5 | Q984 F985 K1039 A1041 | Q984-I1088 CarbonylContact C-O 3.42Å; Q984-I1088 VanDerWaalsContact CA-O 3.25Å; Q984-I1088 WeakPolarHBondContact CA-O 3.35Å; Q984-I1088 VanDerWaalsContact CB-O 3.31Å; Q984-I1088 WeakPolarHBondContact CB-O 3.41Å; F985-I1088 PolarHBondContact N-O 2.99Å; K1039-I1088 HydrophobicContact CB-CG1 4.05Å; K1039-I1088 HydrophobicContact CD-CD1 4.22Å; K1039-I1088 HydrophobicContact CD-CG1 4.3Å; K1039-I1088 HydrophobicContact CG-CG1 4.35Å; K1039-I1088 PolarHBondContact O-N 3.46Å; A1041-I1088 HydrophobicContact CB-CG2 3.93Å |
| 1089 | D | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 165 | -179.5 | -151.4 | -24.2 | 0 | 0 | 0 | 111 | W974 Y975 G976 Q984 K1039 I1087 | W974-D1089 HydrophobicContact CE3-CB 3.86Å; W974-D1089 HydrophobicContact CZ3-CB 4.17Å; Y975-D1089 PolarHBondContact N-OD1 2.87Å; G976-D1089 VanDerWaalsContact CA-OD2 3.26Å; G976-D1089 WeakPolarHBondContact CA-OD2 3.45Å; G976-D1089 VanDerWaalsContact N-CG 3.35Å; G976-D1089 PolarHBondContact N-OD1 3.45Å; G976-D1089 PolarHBondContact N-OD2 2.82Å; Q984-D1089 HydrophobicContact CG-CB 4.49Å; K1039-D1089 HydrophobicContact CB-CB 3.85Å; K1039-D1089 HydrophobicContact CD-CB 4.32Å; K1039-D1089 PolarHBondContact N-O 2.72Å; I1087-D1089 WeakPolarHBondContact CG2-O 3.36Å |
| 1090 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 128.6 | -178 | -176.4 | 157.1 | 0 | 0 | 0 | 109.5 | Y975 F985 I1014 Y1016 V1036 V1037 L1038 V1104 | Y975-L1090 VanDerWaalsContact CB-O 3.23Å; Y975-L1090 WeakPolarHBondContact CB-O 3.35Å; Y975-L1090 PolarHBondContact N-O 2.96Å; F985-L1090 HydrophobicContact CE2-CB 4.05Å; F985-L1090 HydrophobicContact CZ-CB 3.93Å; I1014-L1090 HydrophobicContact CD1-CD1 3.9Å; I1014-L1090 HydrophobicContact CG1-CD1 4.25Å; Y1016-L1090 HydrophobicContact CD2-CD2 4Å; Y1016-L1090 HydrophobicContact CE2-CD2 4.21Å; V1036-L1090 HydrophobicContact CG1-CD1 3.95Å; V1036-L1090 HydrophobicContact CG1-CD2 3.46Å; V1036-L1090 VanDerWaalsContact CG1-CD2 3.46Å; V1036-L1090 HydrophobicContact CG1-CG 3.45Å; V1036-L1090 VanDerWaalsContact CG1-CG 3.45Å; V1037-L1090 WeakPolarHBondContact O-CA 3.46Å; L1038-L1090 HydrophobicContact CD2-CB 4.34Å; L1038-L1090 HydrophobicContact CD2-CD1 3.71Å; L1038-L1090 HydrophobicContact CD2-CG 3.82Å; L1090-V1104 HydrophobicContact CD1-CG1 3.96Å; L1090-V1104 HydrophobicContact CD1-CG2 4.15Å |
| 1091 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 106.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P972 V973 W974 V1037 | P972-A1091 HydrophobicContact CB-CB 3.74Å; V973-A1091 VanDerWaalsContact O-CA 3.24Å; V973-A1091 WeakPolarHBondContact O-CA 3.43Å; V973-A1091 WeakPolarHBondContact O-CB 3.39Å; W974-A1091 HydrophobicContact CD2-CB 3.65Å; W974-A1091 HydrophobicContact CE3-CB 3.49Å; W974-A1091 VanDerWaalsContact CE3-CB 3.49Å; W974-A1091 HydrophobicContact CG-CB 4.13Å; W974-A1091 HydrophobicContact CH2-CB 4.34Å; W974-A1091 HydrophobicContact CZ2-CB 4.47Å; W974-A1091 HydrophobicContact CZ3-CB 3.83Å; V1037-A1091 HydrophobicContact CB-CB 4.4Å; V1037-A1091 PolarHBondContact N-O 2.88Å; V1037-A1091 PolarHBondContact O-N 3.01Å |
| 1092 | P | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -71.9 | 149.8 | 165.7 | 32.5 | -33.5 | 0 | 0 | 0 | 111 | V973 M979 Y1016 V1036 V1095 F1102 | V973-P1092 PolarHBondContact N-O 2.8Å; V973-P1092 WeakPolarHBondContact O-CD 3.5Å; M979-P1092 HydrophobicContact CE-CG 3.91Å; Y1016-P1092 HydrophobicContact CE2-CB 3.87Å; Y1016-P1092 HydrophobicContact CE2-CG 4.3Å; Y1016-P1092 WeakPolarHBondContact OH-CB 3.49Å; V1036-P1092 HydrophobicContact CG2-CB 4.23Å; P1092-V1095 HydrophobicContact CB-CG1 3.85Å; P1092-V1095 HydrophobicContact CB-CG2 4.36Å; P1092-V1095 HydrophobicContact CG-CB 4.41Å; P1092-V1095 HydrophobicContact CG-CG1 3.63Å; P1092-V1095 HydrophobicContact CG-CG2 3.86Å; P1092-F1102 HydrophobicContact CG-CD1 4.22Å; P1092-F1102 HydrophobicContact CG-CE1 3.81Å; P1092-F1102 HydrophobicContact CG-CZ 3.99Å | ||
| 1093 | V | 94.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -100.8 | -29.9 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | N970 P972 A1035 V1095 | N970-V1093 HydrophobicContact CB-CG1 4.21Å; P972-V1093 HydrophobicContact CB-CG2 4.06Å; A1035-V1093 WeakPolarHBondContact O-CG2 3.22Å; V1093-V1095 PolarHBondContact O-N 3Å |
| 1094 | D | 93.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.027 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -94.6 | 61.8 | 179.5 | -165.7 | 3.9 | 0 | 0 | 0 | 112.7 | S1021 V1022 K1034 R1066 Q1100 | S1021-D1094 WeakPolarHBondContact CB-O 3.38Å; S1021-D1094 PolarHBondContact OG-O 2.76Å; V1022-D1094 HydrophobicContact CB-CB 4.06Å; V1022-D1094 WeakPolarHBondContact CG2-OD2 3.26Å; V1022-D1094 PolarHBondContact N-OD2 3.23Å; K1034-D1094 HydrophobicContact CB-CB 4.37Å; K1034-D1094 HydrophobicContact CD-CB 4.13Å; K1034-D1094 HydrophobicContact CG-CB 4.48Å; K1034-D1094 IonicContact NZ-OD2 3.69Å; R1066-D1094 IonicContact CZ-OD1 2.69Å; R1066-D1094 VanDerWaalsContact CZ-OD1 3.31Å; R1066-D1094 IonicContact CZ-OD2 3.9Å; R1066-D1094 VanDerWaalsContact CZ-OD2 3.3Å; R1066-D1094 IonicContact NE-OD1 2.63Å; R1066-D1094 IonicContact NE-OD2 3.69Å; R1066-D1094 PolarHBondContact NE-OD2 2.93Å; R1066-D1094 IonicContact NH2-OD1 2.64Å; R1066-D1094 PolarHBondContact NH2-OD1 3.22Å; R1066-D1094 IonicContact NH2-OD2 3.48Å; R1066-D1094 PolarHBondContact NH2-OD2 3.22Å; D1094-Q1100 PolarHBondContact O-NE2 2.88Å; D1094-Q1100 VanDerWaalsContact O-NE2 3.11Å; D1094-Q1100 PolarHBondContact OD1-NE2 2.86Å |
| 1095 | V | 92.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 21 Ų | 21 | 11% | 0.109 | 12% | 0.122 | C | C | . | . | trans | -135.5 | 151.9 | 178.9 | -71.4 | 0 | 0 | 0 | 0 | 112.5 | W963 V973 M979 P1092 V1093 Q1100 F1102 | W963-V1095 HydrophobicContact CB-CG2 4.44Å; V973-V1095 HydrophobicContact CB-CG2 4.42Å; V973-V1095 HydrophobicContact CG2-CG2 4.49Å; M979-V1095 HydrophobicContact CE-CG2 4.29Å; P1092-V1095 HydrophobicContact CB-CG1 3.85Å; P1092-V1095 HydrophobicContact CB-CG2 4.36Å; P1092-V1095 HydrophobicContact CG-CB 4.41Å; P1092-V1095 HydrophobicContact CG-CG1 3.63Å; P1092-V1095 HydrophobicContact CG-CG2 3.86Å; V1093-V1095 PolarHBondContact O-N 3Å; V1095-Q1100 VanDerWaalsContact C-OE1 3.3Å; V1095-F1102 HydrophobicContact CG1-CD1 3.83Å; V1095-F1102 HydrophobicContact CG1-CE1 4.06Å | ||
| 1096 | G | 89.6 | Confident | 94.4 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 10% | 0.103 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | 132.9 | -18.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A964 S965 Q1100 | A964-G1096 CarbonylContact C-O 3.56Å; A964-G1096 WeakPolarHBondContact CA-O 3.27Å; S965-G1096 PolarHBondContact N-O 3.02Å; G1096-Q1100 VanDerWaalsContact N-OE1 3.09Å |
| 1097 | G | 88.6 | Confident | 94.4 | Very high | 26 Ų | 26 | 22.2 Ų | 22.2 | 27% | 0.268 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -71.2 | 146.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1099 Q1100 | G1097-D1099 PolarHBondContact O-N 3.45Å; G1097-Q1100 WeakPolarHBondContact O-CB 3.33Å; G1097-Q1100 PolarHBondContact O-N 3.44Å; G1097-Q1100 VanDerWaalsContact O-N 3.14Å |
| 1098 | T | 86.9 | Confident | 94.4 | Very high | 126 Ų | 126 | 24.8 Ų | 24.8 | 77% | 0.773 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.7 | -176.3 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1099 | D | 90.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 23.5 Ų | 23.5 | 42% | 0.422 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.5 | 177.5 | 67.1 | -53 | 0 | 0 | 0 | 113 | N1020 G1097 | N1020-D1099 WeakPolarHBondContact CB-OD2 3.43Å; N1020-D1099 PolarHBondContact ND2-OD2 3.15Å; G1097-D1099 PolarHBondContact O-N 3.45Å |
| 1100 | Q | 93.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 24.3 Ų | 24.3 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | trans | -83.5 | 121.2 | 178.8 | -55.8 | -169.9 | -66.7 | 0 | 0 | 109.2 | T961 N1020 D1094 V1095 G1096 G1097 | T961-Q1100 WeakPolarHBondContact CA-O 3.14Å; T961-Q1100 WeakPolarHBondContact CB-O 3.44Å; T961-Q1100 WeakPolarHBondContact CG2-O 3.35Å; T961-Q1100 PolarHBondContact OG1-O 2.95Å; N1020-Q1100 HydrophobicContact CB-CG 4.4Å; N1020-Q1100 WeakPolarHBondContact O-CG 3.05Å; N1020-Q1100 PolarHBondContact O-NE2 2.95Å; D1094-Q1100 PolarHBondContact O-NE2 2.88Å; D1094-Q1100 VanDerWaalsContact O-NE2 3.11Å; D1094-Q1100 PolarHBondContact OD1-NE2 2.86Å; V1095-Q1100 VanDerWaalsContact C-OE1 3.3Å; G1096-Q1100 VanDerWaalsContact N-OE1 3.09Å; G1097-Q1100 WeakPolarHBondContact O-CB 3.33Å; G1097-Q1100 PolarHBondContact O-N 3.44Å; G1097-Q1100 VanDerWaalsContact O-N 3.14Å | ||
| 1101 | E | 95.1 | Very high | 94.5 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.7 | 177.6 | -60.8 | 167.9 | -126.6 | 0 | 0 | 109.2 | R959 K960 T961 C1018 K1019 | R959-E1101 IonicContact CZ-OE2 2.7Å; R959-E1101 IonicContact NH1-OE2 2.64Å; R959-E1101 PolarHBondContact NH1-OE2 3.36Å; R959-E1101 IonicContact NH2-OE2 3.31Å; R959-E1101 PolarHBondContact NH2-OE2 2.9Å; K960-E1101 WeakPolarHBondContact O-CA 3.22Å; T961-E1101 WeakPolarHBondContact OG1-CG 3.4Å; C1018-E1101 CarbonylContact C-O 3.6Å; K1019-E1101 HydrophobicContact CB-CB 4.26Å; K1019-E1101 WeakPolarHBondContact CD-OE1 3.25Å; K1019-E1101 WeakPolarHBondContact CE-OE1 3.5Å; K1019-E1101 PolarHBondContact N-O 2.94Å; K1019-E1101 IonicContact NZ-OE1 3.51Å; K1019-E1101 PolarHBondContact NZ-OE1 2.96Å; K1019-E1101 PolarHBondContact O-N 3.25Å |
| 1102 | F | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.4 | 169.5 | 79.4 | -93.9 | 0 | 0 | 0 | 112.7 | R959 K960 W962 Y975 M979 Y1016 I1017 P1092 V1095 V1104 | R959-F1102 VanDerWaalsContact CA-O 3.3Å; R959-F1102 WeakPolarHBondContact CA-O 3.37Å; K960-F1102 PolarHBondContact N-O 2.89Å; K960-F1102 PolarHBondContact O-N 3.06Å; K960-F1102 VanDerWaalsContact O-O 3.08Å; W962-F1102 HydrophobicContact CB-CE1 3.72Å; W962-F1102 HydrophobicContact CB-CZ 3.91Å; W962-F1102 AromaticContact CD1-CE1 3.85Å; W962-F1102 AromaticContact CD1-CE2 3.93Å; W962-F1102 AromaticContact CD1-CZ 3.76Å; W962-F1102 HydrophobicContact CG-CE1 4.08Å; W962-F1102 HydrophobicContact CG-CE2 4.48Å; W962-F1102 AromaticContact CG-CZ 3.96Å; W962-F1102 HydrophobicContact CG-CZ 3.96Å; W962-F1102 PolarHBondContact NE1-O 3.45Å; Y975-F1102 HydrophobicContact CD2-CE2 4.39Å; Y975-F1102 HydrophobicContact CD2-CZ 4.3Å; M979-F1102 HydrophobicContact CE-CE1 3.82Å; M979-F1102 HydrophobicContact CE-CZ 3.81Å; M979-F1102 HydrophobicContact SD-CE1 3.77Å; M979-F1102 HydrophobicContact SD-CZ 3.6Å; Y1016-F1102 HydrophobicContact CD2-CB 4.44Å; Y1016-F1102 HydrophobicContact CD2-CD2 4.19Å; Y1016-F1102 HydrophobicContact CE1-CB 4.42Å; Y1016-F1102 HydrophobicContact CE2-CB 3.54Å; Y1016-F1102 HydrophobicContact CE2-CD1 4.4Å; Y1016-F1102 AromaticContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CE2 4.3Å; Y1016-F1102 AromaticContact CE2-CG 3.58Å; Y1016-F1102 HydrophobicContact CE2-CG 3.58Å; Y1016-F1102 AromaticContact CZ-CG 3.94Å; Y1016-F1102 VanDerWaalsContact OH-CB 3.32Å; Y1016-F1102 WeakPolarHBondContact OH-CB 3.42Å; I1017-F1102 CarbonylContact O-C 3.49Å; I1017-F1102 WeakPolarHBondContact O-CA 3.48Å; I1017-F1102 WeakPolarHBondContact O-CB 3.4Å; P1092-F1102 HydrophobicContact CG-CD1 4.22Å; P1092-F1102 HydrophobicContact CG-CE1 3.81Å; P1092-F1102 HydrophobicContact CG-CZ 3.99Å; V1095-F1102 HydrophobicContact CG1-CD1 3.83Å; V1095-F1102 HydrophobicContact CG1-CE1 4.06Å; F1102-V1104 HydrophobicContact CD2-CG2 4.28Å; F1102-V1104 HydrophobicContact CE2-CG2 4.27Å |
| 1103 | G | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V957 I1017 | V957-G1103 CarbonylContact O-C 3.58Å; V957-G1103 VanDerWaalsContact O-CA 3.24Å; V957-G1103 WeakPolarHBondContact O-CA 3.49Å; I1017-G1103 PolarHBondContact N-O 3.47Å; I1017-G1103 PolarHBondContact O-N 3.41Å |
| 1104 | V | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.5 | -178.2 | -168.8 | 0 | 0 | 0 | 0 | 109.5 | S956 V957 I1014 T1015 L1090 F1102 I1106 | S956-V1104 CarbonylContact C-O 3.56Å; S956-V1104 WeakPolarHBondContact CA-O 3.31Å; S956-V1104 WeakPolarHBondContact CB-O 3.38Å; V957-V1104 HydrophobicContact CB-CB 3.84Å; V957-V1104 HydrophobicContact CB-CG2 4.07Å; V957-V1104 HydrophobicContact CG1-CG2 4.45Å; V957-V1104 HydrophobicContact CG2-CB 4.01Å; V957-V1104 HydrophobicContact CG2-CG2 4.29Å; V957-V1104 PolarHBondContact N-O 2.87Å; V957-V1104 PolarHBondContact O-N 2.84Å; I1014-V1104 HydrophobicContact CD1-CG1 3.76Å; I1014-V1104 HydrophobicContact CG1-CG1 3.55Å; T1015-V1104 CarbonylContact O-C 3.54Å; T1015-V1104 VanDerWaalsContact O-CA 3.24Å; T1015-V1104 WeakPolarHBondContact O-CA 3.3Å; T1015-V1104 WeakPolarHBondContact O-CG1 3.34Å; L1090-V1104 HydrophobicContact CD1-CG1 3.96Å; L1090-V1104 HydrophobicContact CD1-CG2 4.15Å; F1102-V1104 HydrophobicContact CD2-CG2 4.28Å; F1102-V1104 HydrophobicContact CE2-CG2 4.27Å; V1104-I1106 HydrophobicContact CG1-CG1 3.99Å |
| 1105 | E | 97.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 30.4 Ų | 30.4 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.4 | 164.8 | -43.3 | 170.3 | 145.4 | 0 | 0 | 106.7 | T1015 I1017 | T1015-E1105 WeakPolarHBondContact CB-OE2 3.35Å; T1015-E1105 HydrophobicContact CG2-CG 4.33Å; T1015-E1105 WeakPolarHBondContact CG2-OE2 3.3Å; T1015-E1105 PolarHBondContact N-O 3.13Å; T1015-E1105 PolarHBondContact O-N 3.22Å; T1015-E1105 PolarHBondContact OG1-OE2 3.33Å; I1017-E1105 HydrophobicContact CD1-CG 3.78Å; I1017-E1105 HydrophobicContact CG1-CG 4.17Å |
| 1106 | I | 97.1 | Very high | 94.5 | Very high | 9 Ų | 9 | 31.2 Ų | 31.2 | 5% | 0.046 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 102.5 | -172.7 | -51.2 | 156.8 | 0 | 0 | 0 | 107.1 | A952 S955 V957 F985 Y987 I1014 V1104 | A952-I1106 HydrophobicContact CB-CB 3.72Å; A952-I1106 HydrophobicContact CB-CD1 4.47Å; A952-I1106 HydrophobicContact CB-CG2 3.38Å; S955-I1106 PolarHBondContact O-N 3.4Å; V957-I1106 HydrophobicContact CG2-CD1 4.34Å; F985-I1106 HydrophobicContact CB-CD1 4.23Å; F985-I1106 HydrophobicContact CD1-CD1 3.4Å; F985-I1106 HydrophobicContact CD1-CG1 4.3Å; F985-I1106 HydrophobicContact CD2-CD1 4.26Å; F985-I1106 HydrophobicContact CD2-CG1 4.44Å; F985-I1106 HydrophobicContact CD2-CG2 4.44Å; F985-I1106 HydrophobicContact CE1-CD1 3.74Å; F985-I1106 HydrophobicContact CE1-CG1 4.35Å; F985-I1106 HydrophobicContact CE2-CG1 4.49Å; F985-I1106 HydrophobicContact CG-CD1 3.7Å; F985-I1106 HydrophobicContact CG-CG1 4.35Å; F985-I1106 HydrophobicContact CZ-CD1 4.31Å; F985-I1106 HydrophobicContact CZ-CG1 4.45Å; Y987-I1106 HydrophobicContact CE1-CG2 4.4Å; Y987-I1106 WeakPolarHBondContact OH-CG2 3.24Å; I1014-I1106 HydrophobicContact CD1-CG1 4.43Å; V1104-I1106 HydrophobicContact CG1-CG1 3.99Å |
| 1107 | G | 95.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 159.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q1012 N1013 | Q1012-G1107 PolarHBondContact NE2-O 3.41Å; N1013-G1107 WeakPolarHBondContact O-CA 3.34Å; N1013-G1107 PolarHBondContact O-N 3.3Å |
| 1108 | P | 96.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 148.9 | 176.6 | 29.3 | -35.5 | 0 | 0 | 0 | 111 | C949 I950 | C949-P1108 HydrophobicContact CB-CB 4.11Å; C949-P1108 HydrophobicContact CB-CG 4.41Å; I950-P1108 CarbonylContact O-C 3.14Å; I950-P1108 WeakPolarHBondContact O-CA 3.39Å; I950-P1108 WeakPolarHBondContact O-CB 3.38Å |
| 1109 | V | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.6 | 166.1 | 57.8 | 0 | 0 | 0 | 0 | 108.5 | C949 I950 Y987 M1000 Q1012 L1085 P1086 F1111 | C949-V1109 CarbonylContact C-O 3.57Å; C949-V1109 WeakPolarHBondContact CA-O 3.49Å; I950-V1109 HydrophobicContact CB-CG1 4Å; I950-V1109 PolarHBondContact N-O 3.46Å; I950-V1109 PolarHBondContact O-N 3.49Å; Y987-V1109 HydrophobicContact CD1-CG1 3.97Å; Y987-V1109 HydrophobicContact CE1-CG1 4.23Å; M1000-V1109 HydrophobicContact SD-CG1 4.17Å; Q1012-V1109 HydrophobicContact CB-CB 4.41Å; Q1012-V1109 HydrophobicContact CB-CG2 4.49Å; Q1012-V1109 HydrophobicContact CG-CB 4.4Å; L1085-V1109 HydrophobicContact CB-CG2 3.94Å; P1086-V1109 HydrophobicContact CB-CB 3.92Å; P1086-V1109 HydrophobicContact CB-CG1 3.93Å; P1086-V1109 HydrophobicContact CB-CG2 4.11Å; V1109-F1111 HydrophobicContact CB-CE2 4.32Å; V1109-F1111 HydrophobicContact CG1-CE2 3.83Å; V1109-F1111 HydrophobicContact CG1-CZ 4.38Å; V1109-F1111 HydrophobicContact CG2-CD2 4.36Å; V1109-F1111 HydrophobicContact CG2-CE1 4.37Å; V1109-F1111 HydrophobicContact CG2-CE2 3.64Å; V1109-F1111 HydrophobicContact CG2-CZ 3.64Å |
| 1110 | C | 97.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 11% | 0.108 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | E947 T948 C949 A1010 S1011 | E947-C1110 HydrophobicContact CB-CB 4.43Å; T948-C1110 CarbonylContact O-C 3.54Å; T948-C1110 VanDerWaalsContact O-CA 3.32Å; T948-C1110 WeakPolarHBondContact O-CA 3.49Å; C949-C1110 HydrophobicContact CB-CB 4.18Å; C949-C1110 WeakPolarHBondContact CB-SG 3.45Å; C949-C1110 WeakPolarHBondContact SG-CB 3.19Å; C949-C1110 CovalentContact SG-SG 2.05Å; C949-C1110 PolarHBondContact SG-SG 3.23Å; A1010-C1110 CarbonylContact C-O 3.59Å; A1010-C1110 WeakPolarHBondContact CA-O 3.29Å; S1011-C1110 PolarHBondContact N-O 3.38Å; S1011-C1110 PolarHBondContact O-N 3.42Å |
| 1111 | F | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.9 | -177.8 | -64.1 | -85.7 | 0 | 0 | 0 | 110.7 | E947 T948 I950 M1000 L1003 R1004 S1007 A1010 V1082 V1109 | E947-F1111 WeakPolarHBondContact CA-O 3.34Å; T948-F1111 PolarHBondContact N-O 2.9Å; T948-F1111 PolarHBondContact O-N 3.46Å; I950-F1111 HydrophobicContact CD1-CE2 4.12Å; M1000-F1111 HydrophobicContact CG-CE2 3.8Å; M1000-F1111 HydrophobicContact CG-CZ 3.6Å; M1000-F1111 HydrophobicContact SD-CE2 4.11Å; M1000-F1111 HydrophobicContact SD-CZ 4.01Å; L1003-F1111 HydrophobicContact CB-CD2 4.4Å; L1003-F1111 HydrophobicContact CB-CG 4.36Å; L1003-F1111 HydrophobicContact CD1-CD2 4.45Å; R1004-F1111 HydrophobicContact CG-CE1 3.92Å; S1007-F1111 WeakPolarHBondContact OG-CB 3.46Å; A1010-F1111 HydrophobicContact CB-CD1 3.65Å; A1010-F1111 HydrophobicContact CB-CE1 3.81Å; A1010-F1111 HydrophobicContact CB-CG 4.48Å; V1082-F1111 HydrophobicContact CB-CD1 4.49Å; V1082-F1111 HydrophobicContact CB-CE1 4.43Å; V1109-F1111 HydrophobicContact CB-CE2 4.32Å; V1109-F1111 HydrophobicContact CG1-CE2 3.83Å; V1109-F1111 HydrophobicContact CG1-CZ 4.38Å; V1109-F1111 HydrophobicContact CG2-CD2 4.36Å; V1109-F1111 HydrophobicContact CG2-CE1 4.37Å; V1109-F1111 HydrophobicContact CG2-CE2 3.64Å; V1109-F1111 HydrophobicContact CG2-CZ 3.64Å |
| 1112 | V | 93.9 | Very high | 96.6 | Very high | 53 Ų | 53 | 21.6 Ų | 21.6 | 32% | 0.321 | 13% | 0.13 | S | C | . | . | trans | -149 | 0 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | E947 S1007 K1008 E1009 | E947-V1112 HydrophobicContact CG-CB 3.96Å; E947-V1112 HydrophobicContact CG-CG1 4.26Å; E947-V1112 HydrophobicContact CG-CG2 4.45Å; S1007-V1112 CarbonylContact C-O 3.56Å; S1007-V1112 WeakPolarHBondContact CA-OXT 3.23Å; S1007-V1112 VanDerWaalsContact CB-C 3.43Å; S1007-V1112 WeakPolarHBondContact CB-O 3.45Å; S1007-V1112 PolarHBondContact OG-N 2.89Å; K1008-V1112 CarbonylContact C-O 3.58Å; K1008-V1112 PolarHBondContact N-O 3.18Å; E1009-V1112 HydrophobicContact CB-CG1 4.28Å; E1009-V1112 PolarHBondContact N-O 3.46Å; E1009-V1112 PolarHBondContact O-N 3.31Å |
Retrieved 1,112 of 1,112 residues in 673.3 ms
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