| 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 | 35.5 | Very low | 40.3 | Very low | 220 Ų | 220 | 156.3 Ų | 156.3 | 100% | 1.084 | 83% | 0.831 | S | S | * | * | 0 | 137.1 | 0 | -71.2 | 171.8 | 166.1 | 0 | 0 | 108.4 | |||||
| 2 | Q | 39.8 | Very low | 40.1 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -132.4 | 143.5 | 173.3 | -79 | -177.2 | -31.8 | 0 | 0 | 108.9 | ||||
| 3 | P | 55.2 | Low | 39.8 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | trans | -80.3 | 114.7 | 167.2 | 31.6 | -30.2 | 0 | 0 | 0 | 110.1 | ||||
| 4 | H | 46.3 | Very low | 39.8 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 127.1 | 173 | 179.4 | -87.3 | 0 | 0 | 0 | 110.1 | P6 | H4-P6 WeakPolarHBondContact O-CD 3.42Š|
| 5 | W | 34.7 | Very low | 39.6 | Very low | 220 Ų | 220 | 146.9 Ų | 146.9 | 83% | 0.833 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126.2 | 175 | -101.8 | -84.5 | 0 | 0 | 0 | 111.1 | I7 | W5-I7 PolarHBondContact O-N 2.84Š|
| 6 | P | 49.6 | Very low | 39.7 | Very low | 105 Ų | 105 | 145 Ų | 145 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 119.4 | 164.6 | -13.9 | 29.8 | 0 | 0 | 0 | 109.7 | H4 I8 | H4-P6 WeakPolarHBondContact O-CD 3.42Å; P6-I8 PolarHBondContact O-N 3.17Å |
| 7 | I | 36.1 | Very low | 39.6 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -77.2 | 113.7 | 162.5 | -63 | 169.8 | 0 | 0 | 0 | 106.6 | W5 | W5-I7 PolarHBondContact O-N 2.84Š| ||
| 8 | I | 38.1 | Very low | 39.6 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -105.1 | 110.2 | 161.5 | -65.1 | -177.4 | 0 | 0 | 0 | 107.1 | P6 | P6-I8 PolarHBondContact O-N 3.17Š| ||
| 9 | A | 36.8 | Very low | 39.5 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | trans | -77.5 | 169.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 10 | A | 35.7 | Very low | 39.5 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -61.3 | 137.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 11 | M | 35.1 | Very low | 39.4 | Very low | 192 Ų | 192 | 139.1 Ų | 139.1 | 95% | 0.946 | 81% | 0.808 | S | S | * | * | trans | -119.5 | 107.6 | 147.6 | -70.3 | -167.8 | 73.6 | 0 | 0 | 107.9 | ||||
| 12 | S | 38.4 | Very low | 39.4 | Very low | 125 Ų | 125 | 133 Ų | 133 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -89 | 113 | 171.4 | 44 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 13 | G | 36.7 | Very low | 39.3 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -115.9 | 109 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 14 | H | 38.7 | Very low | 38.3 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -84.7 | 134.9 | 176 | -151.7 | -82.1 | 0 | 0 | 0 | 109.7 | ||||
| 15 | P | 38.1 | Very low | 37.9 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -79.3 | 132.1 | 179.7 | 30.9 | -33.6 | 0 | 0 | 0 | 111.3 | ||||
| 16 | T | 40 | Very low | 37.8 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | -146.6 | 93.1 | 170.1 | -28 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 17 | I | 39 | Very low | 37.3 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | 51.6 | 121.6 | 132.3 | -59.5 | 172.9 | 0 | 0 | 0 | 120.5 | ||||
| 18 | A | 38.9 | Very low | 37.4 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | trans | 76.7 | 134.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 19 | N | 38.1 | Very low | 37.5 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | 58.9 | 143.3 | 147.4 | -53.1 | -12.5 | 0 | 0 | 0 | 119 | ||||
| 20 | G | 38.7 | Very low | 37.7 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | 152.8 | 155.1 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 21 | S | 38.1 | Very low | 37.9 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | 71.5 | 155 | 178.9 | -51.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 22 | A | 36.4 | Very low | 38.7 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -132.5 | 165.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 23 | I | 36.1 | Very low | 38.8 | Very low | 166 Ų | 166 | 131 Ų | 131 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -168.6 | 149.7 | 152.5 | -101.4 | 147.9 | 0 | 0 | 0 | 109.1 | ||||
| 24 | S | 34.2 | Very low | 39 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -110.3 | 155.8 | -179.7 | -52.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 25 | I | 38.1 | Very low | 39.1 | Very low | 158 Ų | 158 | 130 Ų | 130 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -176.4 | 120.1 | 152.7 | -92.2 | 142.4 | 0 | 0 | 0 | 103.9 | ||||
| 26 | D | 33.4 | Very low | 39.2 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | cis | 91 | 142.7 | 46.8 | -168 | 55.8 | 0 | 0 | 0 | 113.6 | ||||
| 27 | R | 38.6 | Very low | 39.1 | Very low | 218 Ų | 218 | 129.9 Ų | 129.9 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | 74.8 | 157.8 | 179.2 | -51.1 | -168.2 | -175.8 | 175.4 | -0.1 | 117.9 | ||||
| 28 | H | 37.5 | Very low | 39.1 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | cis | -178.1 | -178 | -43.6 | -127.5 | -101.7 | 0 | 0 | 0 | 106.6 | ||||
| 29 | I | 40.6 | Very low | 39 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | 76.8 | 116 | 172.6 | -50.4 | 164.8 | 0 | 0 | 0 | 113.4 | ||||
| 30 | S | 40.9 | Very low | 38.8 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | 100.2 | 116.8 | 15 | 85.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 31 | G | 40.7 | Very low | 38.6 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 168 | 117.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 32 | P | 51.5 | Low | 38.5 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -124.8 | 170.3 | -174.4 | 42.4 | -31.9 | 0 | 0 | 0 | 115.9 | ||||
| 33 | M | 41.5 | Very low | 38.4 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -171.4 | 125.1 | 148.6 | -101 | 170.9 | 174.2 | 0 | 0 | 108 | ||||
| 34 | D | 40.8 | Very low | 38.6 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | 79.1 | 138.1 | 78.7 | -105.6 | -37 | 0 | 0 | 0 | 114.1 | |||||
| 35 | S | 40.9 | Very low | 39 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | cis | -151.8 | 170 | -2.2 | -50.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 36 | S | 39.2 | Very low | 39 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | 68.2 | 145.7 | 155.2 | -62.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 37 | S | 39 | Very low | 39.2 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -160.3 | 132.9 | -10.9 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 38 | M | 38.2 | Very low | 39.2 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | 62.3 | 135.8 | 144.3 | -70.2 | -167.1 | 173.5 | 0 | 0 | 124.2 | ||||
| 39 | L | 37.2 | Very low | 39 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 76.4 | 88.9 | 141.5 | -71.1 | 167.6 | 0 | 0 | 0 | 121.8 | ||||
| 40 | I | 34.3 | Very low | 39 | Very low | 166 Ų | 166 | 131 Ų | 131 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | 43.2 | 107.7 | 120.1 | -55.1 | 176.4 | 0 | 0 | 0 | 117.7 | |||||
| 41 | G | 34 | Very low | 38.7 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | -160.4 | 126.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 42 | A | 35.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -97.9 | 169.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 43 | L | 34.7 | Very low | 37.7 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | 97 | 109.3 | 166.5 | -53.7 | 174.7 | 0 | 0 | 0 | 118.6 | ||||
| 44 | T | 39.7 | Very low | 37.4 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 51.8 | 110.4 | 137.8 | 57.7 | 0 | 0 | 0 | 0 | 120.9 | G46 | T44-G46 PolarHBondContact O-N 3.3Š| ||
| 45 | P | 43.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -82.9 | 101.3 | 164.3 | 32.8 | -31.6 | 0 | 0 | 0 | 111.9 | ||||
| 46 | G | 36.5 | Very low | 37.1 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -88.1 | 113.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T44 V48 | T44-G46 PolarHBondContact O-N 3.3Å; G46-V48 PolarHBondContact O-N 3.34Å | ||
| 47 | Y | 38.9 | Very low | 37.1 | Very low | 230 Ų | 230 | 134 Ų | 134 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 117 | -173.4 | -122.6 | -85.1 | 0 | 0 | 0 | 112.6 | ||
| 48 | V | 37.6 | Very low | 37.2 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 140 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | G46 | G46-V48 PolarHBondContact O-N 3.34Š|
| 49 | R | 33.3 | Very low | 37.2 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 132.8 | 172.4 | 176 | -168.9 | -167.2 | -163.5 | 6.2 | 114.4 | T51 | R49-T51 HydrophobicContact CG-CG2 4.1Š|
| 50 | P | 41.1 | Very low | 37.3 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 136.8 | 151.5 | -8.2 | 26.1 | 0 | 0 | 0 | 110.6 | ||
| 51 | T | 33.8 | Very low | 37.5 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 51% | 0.509 | 77% | 0.766 | S | S | . | * | trans | -115.9 | 141.9 | 165.3 | 48 | 0 | 0 | 0 | 0 | 108.9 | R49 | R49-T51 HydrophobicContact CG-CG2 4.1Š| ||
| 52 | L | 37.3 | Very low | 37.9 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | 168.4 | 142.7 | 122.9 | -90 | 156.6 | 0 | 0 | 0 | 113.4 | |||||
| 53 | S | 35.3 | Very low | 38.1 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | 65.1 | 106.6 | 142 | -58.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 54 | S | 35.5 | Very low | 38.3 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | 64.5 | 106.9 | 115 | -51.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 55 | N | 36.5 | Very low | 38.1 | Very low | 173 Ų | 173 | 126 Ų | 126 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -135.2 | 119.7 | 137.8 | -103 | -42.7 | 0 | 0 | 0 | 109.7 | ||||
| 56 | V | 38.2 | Very low | 37.9 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -139.8 | 127.7 | 173.8 | 176.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 57 | L | 38.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 127 Ų | 127 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | trans | 168.5 | 157 | 139.3 | -89.7 | 165.6 | 0 | 0 | 0 | 110.5 | ||||
| 58 | P | 41.9 | Very low | 37.5 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -119.7 | 175.3 | -170 | 43.2 | -33.6 | 0 | 0 | 0 | 115.6 | ||||
| 59 | G | 38.5 | Very low | 37.3 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | trans | -139.6 | 126.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 60 | S | 39 | Very low | 37.1 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 57.7 | 115.6 | 93.8 | 65 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 61 | S | 37.6 | Very low | 37.1 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | cis | -153.5 | 143.6 | 40.1 | -71.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 62 | I | 42.2 | Very low | 37.1 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | 60.1 | 127.8 | 75.4 | -62.9 | 173.8 | 0 | 0 | 0 | 112.6 | |||||
| 63 | P | 41.1 | Very low | 36.9 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -142.5 | 179.6 | -14.1 | 41.5 | -22.5 | 0 | 0 | 0 | 117.4 | ||||
| 64 | S | 37.2 | Very low | 36.6 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 50.2 | 145.6 | 142 | -62.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 65 | A | 36.2 | Very low | 36.3 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -83.4 | 172.9 | 161 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 66 | P | 40.8 | Very low | 36.1 | Very low | 131 Ų | 131 | 121 Ų | 121 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | -137.9 | -179.6 | 74.1 | 38 | -21.3 | 0 | 0 | 0 | 114.4 | |||||
| 67 | G | 33.1 | Very low | 35.9 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -91.8 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 68 | G | 32.4 | Very low | 36.1 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | 162.4 | 119.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 69 | F | 33.5 | Very low | 35.8 | Very low | 216 Ų | 216 | 124.8 Ų | 124.8 | 95% | 0.947 | 77% | 0.766 | S | S | * | * | trans | 59.1 | 146.9 | 149.1 | -67.6 | -87.3 | 0 | 0 | 0 | 123 | ||||
| 70 | S | 29.7 | Very low | 35.9 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -96.9 | -164.5 | 172 | -46.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 71 | P | 41.1 | Very low | 35.9 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | -122.5 | -158.1 | -64.9 | 31.5 | -13 | 0 | 0 | 0 | 111.6 | |||||
| 72 | H | 32.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 102 | 134.9 | 166.5 | -69.3 | -95.6 | 0 | 0 | 0 | 120.2 | ||||
| 73 | H | 33.2 | Very low | 35.4 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 73% | 0.731 | 77% | 0.769 | S | S | * | * | trans | 71.9 | 100.6 | 142.4 | -78.3 | -134.9 | 0 | 0 | 0 | 122.4 | ||||
| 74 | S | 30.2 | Very low | 35.1 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | 67.8 | 132.3 | 103.4 | -57.9 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 75 | L | 29.7 | Very low | 35.1 | Very low | 161 Ų | 161 | 132 Ų | 132 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 74.8 | 115.7 | 151.5 | -64.3 | 164.3 | 0 | 0 | 0 | 120.3 | ||||
| 76 | A | 32 | Very low | 35.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | -161.3 | 153.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 77 | Y | 34.2 | Very low | 34.8 | Very low | 197 Ų | 197 | 130 Ų | 130 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -99.1 | -171.3 | 177.4 | -89.5 | -83.5 | 0 | 0 | 0 | 110.2 | ||||
| 78 | P | 42.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | cis | -141 | -175.8 | 13 | 38.3 | -15 | 0 | 0 | 0 | 119.1 | ||||
| 79 | F | 34.2 | Very low | 34.9 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 77% | 0.772 | 76% | 0.756 | S | S | * | * | trans | -70.2 | 175.7 | 170.4 | -84.1 | -97.6 | 0 | 0 | 0 | 114.4 | ||||
| 80 | P | 41.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | -146.9 | 140.4 | 99.3 | 30.4 | -10.7 | 0 | 0 | 0 | 118.1 | |||||
| 81 | H | 37.9 | Very low | 34.9 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 50.1 | 151.2 | 133.2 | -54.9 | -47 | 0 | 0 | 0 | 122.6 | ||||
| 82 | S | 37.6 | Very low | 34.5 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -168.3 | -170.7 | -10.5 | -93.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 83 | F | 33.2 | Very low | 34.7 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | cis | -142 | -145.1 | 11.7 | -124.4 | -58.2 | 0 | 0 | 0 | 111.5 | ||||
| 84 | S | 34.5 | Very low | 34.5 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -162.7 | -169.6 | -157.3 | -162.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 85 | V | 36.5 | Very low | 34.8 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 80.5 | 137.9 | 168.8 | -165.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 86 | G | 36.4 | Very low | 34.9 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | cis | 147.1 | 171.7 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 87 | T | 35.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | -175.8 | 166.7 | -12 | 9.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | N | 34.4 | Very low | 34.9 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 72.5 | 154.8 | 162.5 | -64.4 | -29.8 | 0 | 0 | 0 | 119.5 | ||||
| 89 | Q | 32.4 | Very low | 34.5 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -169.5 | 142.6 | -34.8 | -125.7 | -176.7 | 80.7 | 0 | 0 | 111.8 | ||||
| 90 | S | 29.6 | Very low | 34.2 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | 65 | 171.3 | 149.2 | -147.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 91 | L | 34.2 | Very low | 34 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | 78 | 102.3 | 167.8 | -67 | 145.6 | 0 | 0 | 0 | 119.9 | ||||
| 92 | E | 31.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -65.1 | 166.6 | 141.4 | -123.3 | -138.2 | 112.6 | 0 | 0 | 109.8 | A94 | E92-A94 PolarHBondContact OE1-N 3.07Š| ||
| 93 | P | 36.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -151.3 | 153.1 | 48.4 | 41.3 | -19.9 | 0 | 0 | 0 | 120.8 | ||||
| 94 | A | 30.1 | Very low | 33.2 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | trans | 57.3 | -171.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | E92 | E92-A94 PolarHBondContact OE1-N 3.07Š| ||
| 95 | I | 35.3 | Very low | 33.2 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 82.4 | 89.8 | 162 | -60 | 170.3 | 0 | 0 | 0 | 118.3 | ||||
| 96 | T | 33.5 | Very low | 33.1 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 55.6 | 121.8 | 139.2 | 66.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 97 | G | 31.5 | Very low | 33.3 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | 117.9 | 154.2 | 96.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 98 | R | 33.8 | Very low | 33.3 | Very low | 224 Ų | 224 | 131.7 Ų | 131.7 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 74.7 | 108.6 | 164.1 | -67.7 | -172.2 | 173.5 | -151 | 2.2 | 121.1 | ||||
| 99 | Q | 33.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | 75.6 | 124.8 | 123.2 | -65.9 | 172.1 | -58.1 | 0 | 0 | 120.7 | |||||
| 100 | F | 28.9 | Very low | 33.4 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | -59.5 | 162.7 | 160 | -64.2 | -92.2 | 0 | 0 | 0 | 112 | ||||
| 101 | P | 36.6 | Very low | 33.6 | Very low | 131 Ų | 131 | 135 Ų | 135 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | -123 | 165 | 99.2 | 36.4 | -34.5 | 0 | 0 | 0 | 114 | |||||
| 102 | N | 27.9 | Very low | 33.6 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | trans | -119.8 | 121.7 | -176.5 | 178.5 | 11.9 | 0 | 0 | 0 | 110.4 | ||||
| 103 | A | 33.2 | Very low | 33.9 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | -154 | 116.3 | 164 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 104 | S | 31.3 | Very low | 33.8 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | 66.9 | 108.6 | 60.1 | -168.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 105 | I | 35 | Very low | 34 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | -158.7 | 136 | 121.1 | -96.5 | 150.8 | 0 | 0 | 0 | 107.9 | |||||
| 106 | N | 33 | Very low | 34.1 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | -103.7 | 169.9 | -178.8 | -158.1 | 23.4 | 0 | 0 | 0 | 109.4 | S108 | N106-S108 PolarHBondContact ND2-N 3.4Å; N106-S108 PolarHBondContact ND2-OG 3.14Å; N106-S108 VanDerWaalsContact ND2-OG 3.14Å | ||
| 107 | P | 41.8 | Very low | 34.1 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -108 | 93.4 | 136.4 | 31.5 | -30 | 0 | 0 | 0 | 110.3 | ||||
| 108 | S | 35.2 | Very low | 34.3 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 44% | 0.441 | 74% | 0.738 | S | S | . | * | trans | -57.2 | 160.4 | 151 | -57.4 | 0 | 0 | 0 | 0 | 108.6 | N106 | N106-S108 PolarHBondContact ND2-N 3.4Å; N106-S108 PolarHBondContact ND2-OG 3.14Å; N106-S108 VanDerWaalsContact ND2-OG 3.14Å | ||
| 109 | Y | 33.6 | Very low | 34.5 | Very low | 215 Ų | 215 | 136.7 Ų | 136.7 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | -171.3 | 163.3 | 60.7 | -84.9 | -92.5 | 0 | 0 | 0 | 108.2 | |||||
| 110 | H | 35.3 | Very low | 34.8 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | cis | -178.4 | 139.7 | -17.9 | 170.4 | -99.4 | 0 | 0 | 0 | 110.1 | ||||
| 111 | L | 34.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 58% | 0.576 | 73% | 0.732 | S | S | * | * | trans | 32.3 | 129.7 | 149.2 | -134.7 | 77.1 | 0 | 0 | 0 | 120.5 | ||||
| 112 | Q | 34.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 58% | 0.575 | 73% | 0.726 | S | S | * | * | -151.5 | 124.5 | 99.6 | -163.2 | 57.5 | 31.8 | 0 | 0 | 110.8 | |||||
| 113 | Q | 37.5 | Very low | 35.7 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | trans | -87.1 | 154.2 | 169.7 | -73.5 | -170.1 | -6.7 | 0 | 0 | 111 | ||||
| 114 | F | 34 | Very low | 36.1 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 87% | 0.873 | 72% | 0.723 | S | S | * | * | trans | -135.9 | 151.1 | 134.3 | -122.9 | -85.3 | 0 | 0 | 0 | 110.4 | ||||
| 115 | Q | 34.3 | Very low | 36.6 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -96.7 | 142.4 | -166.5 | -60.8 | 163.3 | -5.8 | 0 | 0 | 112 | ||||
| 116 | Q | 38.3 | Very low | 37.1 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | -162.2 | 119.9 | 133.4 | -112.7 | 144.3 | 101.3 | 0 | 0 | 112.9 | ||||
| 117 | S | 32.9 | Very low | 37.9 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | -64.3 | 163 | 152.5 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 118 | A | 35.5 | Very low | 37.8 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | cis | -137.2 | -166.4 | 15.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 119 | S | 38.2 | Very low | 38.5 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | cis | -150.5 | -174.7 | 19.5 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 120 | Q | 39 | Very low | 39.2 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | trans | -136 | 170.9 | 168.6 | -140.6 | -167.2 | 82 | 0 | 0 | 108.6 | ||||
| 121 | P | 36.5 | Very low | 39.2 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | -143.9 | 164.9 | 73.6 | 37.2 | -18.6 | 0 | 0 | 0 | 116.6 | |||||
| 122 | L | 35.8 | Very low | 39.3 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | trans | -90.5 | 175.4 | 168.9 | -87.9 | 168 | 0 | 0 | 0 | 111.7 | ||||
| 123 | P | 40.9 | Very low | 39.4 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -97 | 167.9 | -141.6 | 38.3 | -39.4 | 0 | 0 | 0 | 116.9 | ||
| 124 | L | 40.6 | Very low | 39.2 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 134.7 | 170.7 | -71.7 | 168.2 | 0 | 0 | 0 | 112.4 | ||
| 125 | P | 41.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 148.4 | 162.8 | 35.2 | -31.4 | 0 | 0 | 0 | 111.5 | ||
| 126 | H | 47 | Very low | 39.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -128.2 | 153.9 | 176.1 | -67.5 | -47.9 | 0 | 0 | 0 | 111.5 | ||||
| 127 | P | 48.8 | Very low | 38.9 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -91 | 163.9 | -147.9 | 34.9 | -37.8 | 0 | 0 | 0 | 115.6 | ||
| 128 | P | 39.7 | Very low | 39.1 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 143.6 | 172.1 | 31.7 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 129 | V | 50.3 | Low | 39.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 135.2 | 171.8 | -87.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 130 | P | 47.7 | Very low | 39.2 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 169.2 | -173.5 | 35.2 | -37 | 0 | 0 | 0 | 114.3 | ||
| 131 | Y | 35.6 | Very low | 39 | Very low | 241 Ų | 241 | 133.2 Ų | 133.2 | 95% | 0.945 | 77% | 0.767 | S | S | * | * | trans | -113.3 | 130.4 | -173.5 | -136 | -91.6 | 0 | 0 | 0 | 111.8 | ||||
| 132 | G | 35.7 | Very low | 38.8 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | 89.5 | 120 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 133 | Q | 37.9 | Very low | 38.7 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | 171.8 | 109.9 | 143.4 | -96.3 | 168.8 | 55.8 | 0 | 0 | 105.9 | ||||
| 134 | S | 32.2 | Very low | 38.4 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | 94.3 | 139.3 | 57.1 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 135 | L | 34.3 | Very low | 38.2 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 76.9 | 141.8 | 179.8 | -50.2 | 174.8 | 0 | 0 | 0 | 114.2 | ||||
| 136 | S | 34.8 | Very low | 38.1 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | cis | -160.6 | 140.3 | -2.8 | -108.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 137 | Y | 31.5 | Very low | 37.5 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 57.7 | 129.4 | 137.9 | -78.8 | -108.3 | 0 | 0 | 0 | 124.6 | ||||
| 138 | L | 37 | Very low | 36.8 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | 70.6 | 152.8 | 148.3 | -58.2 | 164.5 | 0 | 0 | 0 | 119.1 | ||||
| 139 | A | 37 | Very low | 36.6 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | cis | -165.3 | 159.9 | -25.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 140 | P | 39.3 | Very low | 35.7 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -112.4 | 163.3 | -172.7 | 40.3 | -33.6 | 0 | 0 | 0 | 117.4 | ||||
| 141 | S | 35.6 | Very low | 35 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 74.4 | 138.7 | 157 | -58.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 142 | L | 32.4 | Very low | 35 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 162 | 137 | 115.8 | -84.9 | 168.3 | 0 | 0 | 0 | 114.6 | |||||
| 143 | V | 33.9 | Very low | 34.8 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 66.6 | 154.5 | 140.1 | 174.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 144 | T | 34.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | cis | -141.3 | 141.7 | 10.3 | 1.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 145 | A | 35.7 | Very low | 34.7 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | 93.2 | 150.1 | 60.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 146 | M | 38.9 | Very low | 34.7 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | 70.1 | 148 | 178.3 | -47.2 | -162.2 | -60.6 | 0 | 0 | 116.9 | ||||
| 147 | G | 35.5 | Very low | 34.7 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | 171.7 | 149.2 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 148 | N | 32.9 | Very low | 34.8 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | trans | 25.4 | 128.3 | 161.6 | -58.3 | -8.4 | 0 | 0 | 0 | 121.9 | ||||
| 149 | G | 36.3 | Very low | 34.8 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -169.4 | 140.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 150 | N | 32.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -148.5 | 166.6 | -174.7 | -167 | 10.5 | 0 | 0 | 0 | 111.2 | ||||
| 151 | L | 32.7 | Very low | 34.5 | Very low | 160 Ų | 160 | 133 Ų | 133 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | 66.4 | 150.3 | -178.7 | -81.6 | 63.6 | 0 | 0 | 0 | 115.7 | ||||
| 152 | G | 34.6 | Very low | 34.9 | Very low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 164.9 | 42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 153 | H | 32.7 | Very low | 35 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -54.2 | 144.3 | 175.7 | -155.6 | 75 | 0 | 0 | 0 | 113.4 | ||||
| 154 | I | 34.9 | Very low | 35.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 170.5 | 100.8 | 133.7 | -85 | 152.4 | 0 | 0 | 0 | 112.5 | ||||
| 155 | H | 32.1 | Very low | 35.2 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.676 | 77% | 0.771 | S | S | * | * | 47.5 | 153.1 | 118.5 | -136.2 | -123.9 | 0 | 0 | 0 | 124.8 | |||||
| 156 | Q | 35.6 | Very low | 35.5 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 87.9 | 141.2 | 160.1 | -60.9 | -158.3 | 38.8 | 0 | 0 | 120.6 | ||||
| 157 | T | 33.5 | Very low | 35.5 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | cis | -168.4 | 178.4 | -45 | 9.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 158 | Y | 33.5 | Very low | 35.3 | Very low | 216 Ų | 216 | 134.4 Ų | 134.4 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 78.4 | 135.3 | 165.9 | -64.4 | -79 | 0 | 0 | 0 | 117.1 | ||||
| 159 | A | 38.2 | Very low | 35.6 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | cis | -159.9 | 150 | -12.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 160 | N | 31.9 | Very low | 35.4 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 40.3 | 145.1 | 132.1 | -112.9 | -2.5 | 0 | 0 | 0 | 121.3 | ||||
| 161 | V | 37.8 | Very low | 35.4 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | cis | -149 | 140.2 | 25.1 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 162 | P | 42.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -111.3 | 140.6 | 169.2 | 36.8 | -28 | 0 | 0 | 0 | 114.7 | ||||
| 163 | S | 35 | Very low | 35.6 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -172.4 | 141.2 | -178.6 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 164 | Q | 37.7 | Very low | 35.7 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | cis | -150.5 | -143.1 | -2.1 | -130.4 | 171.4 | 107.6 | 0 | 0 | 111.8 | ||||
| 165 | T | 34.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 131 Ų | 131 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | trans | -143.9 | -168.5 | -172.3 | 63.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 166 | P | 43.4 | Very low | 35.9 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | cis | -129.1 | -176.3 | -30.7 | 27.9 | -6.8 | 0 | 0 | 0 | 112.7 | ||||
| 167 | M | 36.9 | Very low | 35.9 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 93% | 0.926 | 75% | 0.751 | S | S | * | * | 157.5 | 150.1 | 125.4 | -83.3 | -60.1 | -166.6 | 0 | 0 | 112.8 | |||||
| 168 | A | 33 | Very low | 36.1 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -124.8 | 153 | -160 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 169 | V | 37.6 | Very low | 36.2 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -173.7 | 151.2 | 146.2 | -91.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 170 | N | 32.1 | Very low | 36.1 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | cis | -167.3 | 162.4 | -27.2 | -164.2 | 5.2 | 0 | 0 | 0 | 110.7 | ||||
| 171 | M | 34.1 | Very low | 36.3 | Very low | 157 Ų | 157 | 134 Ų | 134 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 81.2 | 67.4 | 156.5 | -59.6 | -126 | 174.4 | 0 | 0 | 123.9 | ||||
| 172 | T | 35.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | 61.5 | 125.4 | 97.1 | -51.9 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 173 | A | 34.5 | Very low | 35.9 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | 78.4 | 159.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 174 | H | 35.1 | Very low | 35.7 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | cis | -177.6 | 125.9 | -39.5 | -94.6 | -52 | 0 | 0 | 0 | 113.8 | ||||
| 175 | C | 34.3 | Very low | 35.2 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | 43 | -167.7 | 143.2 | -49.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 176 | R | 36.8 | Very low | 35.2 | Very low | 220 Ų | 220 | 139.6 Ų | 139.6 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | cis | -149.5 | 146 | 1.2 | -76.3 | -169.4 | 177.4 | -158.2 | -2.1 | 113.4 | ||||
| 177 | T | 36 | Very low | 34.9 | Very low | 132 Ų | 132 | 141.5 Ų | 141.5 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 66.2 | 157.2 | 136.6 | -48.1 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 178 | F | 37.4 | Very low | 34.9 | Very low | 187 Ų | 187 | 138 Ų | 138 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | -63.1 | -178.2 | 179.1 | -90.1 | -123 | 0 | 0 | 0 | 116.3 | ||||
| 179 | D | 35.4 | Very low | 35 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | cis | -164.7 | 178 | 35.9 | -151.6 | -82.9 | 0 | 0 | 0 | 115.9 | ||||
| 180 | S | 36.6 | Very low | 34.9 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 60% | 0.601 | 77% | 0.769 | S | S | * | * | trans | 88.2 | 100.3 | 142.2 | -86.7 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 181 | L | 36.4 | Very low | 35.3 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 77.8 | 141.4 | 115.9 | -96.9 | 158.3 | 0 | 0 | 0 | 123.7 | |||||
| 182 | K | 33.7 | Very low | 35.5 | Very low | 173 Ų | 173 | 146 Ų | 146 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 72.6 | 93.6 | 163 | -56.9 | 170.5 | -172.5 | 175 | 0 | 119 | ||||
| 183 | H | 38.3 | Very low | 35.5 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 83% | 0.833 | 78% | 0.782 | S | S | * | * | -167.8 | 166.4 | 102 | -103.2 | 81.1 | 0 | 0 | 0 | 113.3 | |||||
| 184 | F | 29.9 | Very low | 36 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 144.8 | -167.3 | -75.9 | -108.2 | 0 | 0 | 0 | 115.2 | ||||
| 185 | G | 29.1 | Very low | 36.5 | Very low | 69 Ų | 69 | 153.5 Ų | 153.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 101.5 | 97.1 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 186 | S | 34.2 | Very low | 37 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -179.9 | 144.5 | 131 | -82.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 187 | V | 36.5 | Very low | 38 | Very low | 140 Ų | 140 | 152 Ų | 152 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 123.5 | -178 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 188 | P | 36.6 | Very low | 39 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 130.8 | 169.5 | -14.2 | 30.1 | 0 | 0 | 0 | 111.1 | ||
| 189 | Q | 36.2 | Very low | 40.1 | Very low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 135 | 174.2 | -74.6 | -179.5 | -29.4 | 0 | 0 | 111.6 | Q191 | Q189-Q191 PolarHBondContact O-N 3.39Š|
| 190 | T | 35.4 | Very low | 42.2 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -71.1 | 110 | 171.6 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | H192 | T190-H192 PolarHBondContact O-N 2.9Š| ||
| 191 | Q | 40.6 | Very low | 44.4 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | trans | -67.3 | 119.9 | 171.7 | -66.3 | -168.8 | 7.1 | 0 | 0 | 110 | Q189 G193 | Q189-Q191 PolarHBondContact O-N 3.39Å; Q191-G193 PolarHBondContact O-N 3.03Å | ||
| 192 | H | 38.3 | Very low | 46.6 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | trans | -66.6 | 105.7 | 177.6 | -83.1 | -64.2 | 0 | 0 | 0 | 111.4 | T190 R194 | T190-H192 PolarHBondContact O-N 2.9Å; H192-R194 PolarHBondContact O-N 2.98Å | ||
| 193 | G | 34.2 | Very low | 49.2 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | trans | -56.6 | 125 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q191 R195 | Q191-G193 PolarHBondContact O-N 3.03Å; G193-R195 VanDerWaalsContact C-N 3.33Å; G193-R195 PolarHBondContact O-N 3.21Å | ||
| 194 | R | 44.9 | Very low | 51.7 | Low | 244 Ų | 244 | 126.3 Ų | 126.3 | 92% | 0.921 | 68% | 0.676 | S | S | * | * | trans | -68.1 | 87.9 | 172.4 | -70 | -174.6 | 178.9 | -171.1 | 2.1 | 109.7 | H192 N196 | H192-R194 PolarHBondContact O-N 2.98Å; R194-N196 PolarHBondContact O-N 2.97Å | ||
| 195 | R | 46.1 | Very low | 54.7 | Low | 215 Ų | 215 | 118.7 Ų | 118.7 | 81% | 0.811 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.4 | 174.8 | -172.1 | 178.8 | -68 | -177.6 | -3 | 110 | G193 K197 | G193-R195 VanDerWaalsContact C-N 3.33Å; G193-R195 PolarHBondContact O-N 3.21Å; R195-K197 PolarHBondContact O-N 3.21Å |
| 196 | N | 45.1 | Very low | 57.8 | Low | 156 Ų | 156 | 115.4 Ų | 115.4 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 131.6 | -175.2 | -73.8 | -9.9 | 0 | 0 | 0 | 112.5 | R194 | R194-N196 PolarHBondContact O-N 2.97Š|
| 197 | K | 57 | Low | 60.6 | Low | 131 Ų | 131 | 113 Ų | 113 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -69 | 151.1 | 162.5 | -172.9 | 83.5 | 175.8 | -179.3 | 0 | 107.9 | R195 T199 Y280 | R195-K197 PolarHBondContact O-N 3.21Å; K197-T199 PolarHBondContact O-N 2.96Å; K197-T199 VanDerWaalsContact O-N 3.12Å; K197-Y280 HydrophobicContact CG-CD1 4.19Å; K197-Y280 HydrophobicContact CG-CE1 4.37Å; K197-Y280 HydrophobicContact CG-CG 4.37Å |
| 198 | S | 56.2 | Low | 63.3 | Low | 46 Ų | 46 | 106.4 Ų | 106.4 | 32% | 0.322 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 119.4 | 160.3 | 45.9 | 0 | 0 | 0 | 0 | 108.2 | V200 Y280 E281 | S198-V200 VanDerWaalsContact C-N 3.28Å; S198-Y280 WeakPolarHBondContact O-CD1 3.26Å; S198-E281 PolarHBondContact OG-O 3.05Å |
| 199 | T | 61.9 | Low | 65.9 | Low | 125 Ų | 125 | 102.2 Ų | 102.2 | 77% | 0.767 | 52% | 0.517 | S | S | * | . | trans | -78.1 | -18.2 | -178.2 | 44 | 0 | 0 | 0 | 0 | 112.3 | K197 T201 | K197-T199 PolarHBondContact O-N 2.96Å; K197-T199 VanDerWaalsContact O-N 3.12Å; T199-T201 PolarHBondContact O-N 3.23Å | ||
| 200 | V | 78.4 | Confident | 68.5 | Low | 95 Ų | 95 | 95.1 Ų | 95.1 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 117.7 | 176.9 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | S198 E281 | S198-V200 VanDerWaalsContact C-N 3.28Å; V200-E281 PolarHBondContact O-N 3.32Å; V200-E281 VanDerWaalsContact O-N 3.09Å |
| 201 | T | 83.4 | Confident | 71 | Confident | 63 Ų | 63 | 89.7 Ų | 89.7 | 39% | 0.387 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.9 | 166.6 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | T199 A279 Y280 | T199-T201 PolarHBondContact O-N 3.23Å; T201-A279 CarbonylContact C-O 3.52Å; T201-A279 VanDerWaalsContact CA-O 3.24Å; T201-A279 WeakPolarHBondContact CA-O 3.47Å; T201-A279 WeakPolarHBondContact CB-O 3.45Å; T201-Y280 HydrophobicContact CG2-CD1 3.77Å; T201-Y280 HydrophobicContact CG2-CE1 3.77Å; T201-Y280 HydrophobicContact CG2-CG 4.41Å |
| 202 | S | 83.6 | Confident | 73.3 | Confident | 4 Ų | 4 | 83 Ų | 83 | 3% | 0.028 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.9 | 179.5 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | T204 N205 A279 | S202-T204 PolarHBondContact O-N 3.46Å; S202-N205 WeakPolarHBondContact CB-ND2 3.28Å; S202-N205 VanDerWaalsContact OG-CB 3.26Å; S202-N205 WeakPolarHBondContact OG-CB 3.42Å; S202-N205 PolarHBondContact OG-N 3.45Å; S202-N205 PolarHBondContact OG-ND2 3.43Å; S202-N205 VanDerWaalsContact OG-ND2 3.09Å; S202-N205 PolarHBondContact OG-O 3.44Å; S202-A279 PolarHBondContact N-O 3.02Å; S202-A279 PolarHBondContact OG-O 2.96Å |
| 203 | K | 87.1 | Confident | 75.6 | Confident | 123 Ų | 123 | 79.7 Ų | 79.7 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | -38.3 | 178.1 | -70.2 | 169.4 | 152.5 | -76.4 | 0 | 113.7 | E253 A256 Y278 | K203-E253 HydrophobicContact CB-CB 4.36Å; K203-E253 HydrophobicContact CB-CG 4.02Å; K203-E253 VanDerWaalsContact CD-OE2 3.29Å; K203-E253 WeakPolarHBondContact CD-OE2 3.15Å; K203-E253 WeakPolarHBondContact CE-OE2 3.31Å; K203-E253 WeakPolarHBondContact CG-OE1 3.32Å; K203-E253 IonicContact NZ-OE1 3.17Å; K203-E253 PolarHBondContact NZ-OE1 2.95Å; K203-E253 IonicContact NZ-OE2 2.81Å; K203-E253 PolarHBondContact NZ-OE2 3.06Å; K203-A256 WeakPolarHBondContact O-CB 3.22Å; K203-Y278 WeakPolarHBondContact O-CE1 3.2Å |
| 204 | T | 91.4 | Very high | 78.1 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 24% | 0.239 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -19.8 | -170.9 | 68 | 0 | 0 | 0 | 0 | 115.4 | S202 C250 | S202-T204 PolarHBondContact O-N 3.46Å; T204-C250 VanDerWaalsContact O-CB 3.27Å; T204-C250 WeakPolarHBondContact O-CB 3.3Å; T204-C250 PolarHBondContact O-N 2.92Å |
| 205 | N | 92.6 | Very high | 80.1 | Confident | 43 Ų | 43 | 69.4 Ų | 69.4 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.4 | 177.8 | -44.1 | -87.7 | 0 | 0 | 0 | 110.8 | S202 I248 D249 A279 | S202-N205 WeakPolarHBondContact CB-ND2 3.28Å; S202-N205 VanDerWaalsContact OG-CB 3.26Å; S202-N205 WeakPolarHBondContact OG-CB 3.42Å; S202-N205 PolarHBondContact OG-N 3.45Å; S202-N205 PolarHBondContact OG-ND2 3.43Å; S202-N205 VanDerWaalsContact OG-ND2 3.09Å; S202-N205 PolarHBondContact OG-O 3.44Å; N205-I248 CarbonylContact C-O 3.55Å; N205-I248 WeakPolarHBondContact CA-O 3Å; N205-D249 WeakPolarHBondContact OD1-CB 3.48Å; N205-D249 PolarHBondContact OD1-OD1 3.3Å; N205-A279 HydrophobicContact CB-CB 4.07Å; N205-A279 PolarHBondContact O-N 2.82Å |
| 206 | L | 94 | Very high | 82.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.5 | 173.6 | -57.2 | 174.7 | 0 | 0 | 0 | 110.1 | F247 I248 A256 A259 K260 V276 K277 Y278 | L206-F247 CarbonylContact O-C 3.54Å; L206-F247 VanDerWaalsContact O-CA 3.28Å; L206-F247 WeakPolarHBondContact O-CA 3.15Å; L206-I248 HydrophobicContact CB-CB 4.36Å; L206-I248 PolarHBondContact N-O 2.89Å; L206-I248 PolarHBondContact O-N 3.32Å; L206-A256 WeakPolarHBondContact CD1-O 3.46Å; L206-A256 HydrophobicContact CD2-CB 4.16Å; L206-A256 HydrophobicContact CG-CB 4.29Å; L206-A259 HydrophobicContact CD1-CB 3.81Å; L206-K260 HydrophobicContact CD1-CB 4.11Å; L206-K260 HydrophobicContact CD2-CB 4.12Å; L206-V276 HydrophobicContact CB-CG1 3.93Å; L206-V276 HydrophobicContact CD1-CG1 4.1Å; L206-V276 HydrophobicContact CD2-CG1 4.15Å; L206-V276 HydrophobicContact CG-CG1 4.29Å; L206-K277 CarbonylContact C-O 3.49Å; L206-K277 WeakPolarHBondContact CA-O 3.06Å; L206-Y278 HydrophobicContact CD2-CD1 3.95Å; L206-Y278 HydrophobicContact CD2-CE1 4.11Å |
| 207 | Y | 93.9 | Very high | 84.3 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.8 | 164.8 | 172.1 | -102.9 | 0 | 0 | 0 | 108.9 | S245 G246 F247 V276 K277 | Y207-S245 WeakPolarHBondContact OH-CB 3.4Å; Y207-G246 WeakPolarHBondContact CD2-O 3.08Å; Y207-F247 HydrophobicContact CD2-CD1 4.09Å; Y207-F247 AromaticContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE2 4.17Å; Y207-F247 AromaticContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CE2-CE1 4.45Å; Y207-F247 HydrophobicContact CE2-CE2 4.42Å; Y207-F247 HydrophobicContact CE2-CZ 4.06Å; Y207-F247 HydrophobicContact CG-CE1 4.35Å; Y207-V276 WeakPolarHBondContact O-CA 3.35Å; Y207-K277 PolarHBondContact N-O 3.21Å; Y207-K277 PolarHBondContact O-N 3Å |
| 208 | I | 92.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.6 | 175.3 | -178.1 | 171.2 | 0 | 0 | 0 | 109.7 | L211 V220 L223 S245 G246 I248 I263 L274 V276 | I208-L211 HydrophobicContact CD1-CD2 3.93Å; I208-L211 HydrophobicContact CD1-CG 4.43Å; I208-L211 HydrophobicContact CG1-CD2 4.4Å; I208-L211 HydrophobicContact CG1-CG 4.38Å; I208-L211 HydrophobicContact CG2-CD1 4.2Å; I208-V220 HydrophobicContact CG2-CG1 4.36Å; I208-L223 HydrophobicContact CD1-CD1 4.15Å; I208-S245 CarbonylContact O-C 3.59Å; I208-S245 WeakPolarHBondContact O-CA 3.28Å; I208-S245 WeakPolarHBondContact O-CB 3.4Å; I208-G246 WeakPolarHBondContact CG2-O 3.33Å; I208-G246 PolarHBondContact N-O 2.62Å; I208-G246 PolarHBondContact O-N 2.89Å; I208-I248 HydrophobicContact CG2-CD1 4.46Å; I208-I263 HydrophobicContact CD1-CD1 4.44Å; I208-I263 HydrophobicContact CD1-CG2 3.73Å; I208-I263 HydrophobicContact CG1-CG2 4.46Å; I208-L274 HydrophobicContact CD1-CD2 4.46Å; I208-V276 HydrophobicContact CB-CG2 4.14Å; I208-V276 HydrophobicContact CD1-CG2 4.39Å; I208-V276 HydrophobicContact CG1-CG2 4.01Å |
| 209 | S | 91.7 | Very high | 87.5 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.4 | 179 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | G244 L274 S275 | S209-G244 CarbonylContact C-O 3.55Å; S209-G244 WeakPolarHBondContact CA-O 3.49Å; S209-L274 CarbonylContact O-C 3.52Å; S209-L274 VanDerWaalsContact O-CA 3.3Å; S209-L274 WeakPolarHBondContact O-CA 3.16Å; S209-S275 PolarHBondContact N-O 2.96Å; S209-S275 PolarHBondContact O-N 3.1Å; S209-S275 PolarHBondContact OG-O 3.32Å |
| 210 | G | 89.1 | Confident | 88.9 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | trans | 89.2 | 12.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G244 L274 | G210-G244 PolarHBondContact N-O 2.85Å; G210-L274 WeakPolarHBondContact O-CD2 3.16Å | ||
| 211 | L | 89.7 | Confident | 89.5 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | trans | -64.1 | 158.6 | 170.4 | -64.7 | 172.5 | 0 | 0 | 0 | 110.7 | I208 D215 V220 L223 G244 L274 | I208-L211 HydrophobicContact CD1-CD2 3.93Å; I208-L211 HydrophobicContact CD1-CG 4.43Å; I208-L211 HydrophobicContact CG1-CD2 4.4Å; I208-L211 HydrophobicContact CG1-CG 4.38Å; I208-L211 HydrophobicContact CG2-CD1 4.2Å; L211-D215 HydrophobicContact CB-CB 3.95Å; L211-D215 HydrophobicContact CD2-CB 4.16Å; L211-D215 HydrophobicContact CG-CB 4.45Å; L211-V220 HydrophobicContact CD1-CG2 3.48Å; L211-V220 VanDerWaalsContact CD1-CG2 3.48Å; L211-V220 HydrophobicContact CD2-CG2 4.17Å; L211-L223 HydrophobicContact CD2-CD1 4.04Å; L211-G244 PolarHBondContact N-O 3.12Å; L211-G244 VanDerWaalsContact N-O 3.12Å; L211-G244 WeakPolarHBondContact O-CA 3.31Å; L211-L274 HydrophobicContact CD2-CD2 3.92Å; L211-L274 HydrophobicContact CG-CD2 4.48Å | ||
| 212 | S | 87.8 | Confident | 89.9 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | trans | -70.9 | 160 | 169.9 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | S214 D215 C242 | S212-S214 WeakPolarHBondContact CB-OG 3.38Å; S212-S214 PolarHBondContact O-N 2.9Å; S212-S214 PolarHBondContact OG-N 3.43Å; S212-S214 PolarHBondContact OG-OG 3.44Å; S212-D215 WeakPolarHBondContact CB-OD2 3.24Å; S212-D215 PolarHBondContact N-OD2 2.89Å; S212-D215 PolarHBondContact O-N 2.87Å; S212-C242 WeakPolarHBondContact O-CB 3.45Å | ||
| 213 | E | 86.4 | Confident | 90.1 | Very high | 115 Ų | 115 | 48.9 Ų | 48.9 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.4 | 165.4 | -64.8 | -163.9 | 169.1 | 0 | 0 | 112.6 | R241 C242 | E213-R241 VanDerWaalsContact CD-NH1 3.29Å; E213-R241 IonicContact OE1-NH1 2.66Å; E213-R241 PolarHBondContact OE1-NH1 3.35Å; E213-R241 WeakPolarHBondContact OE2-CD 3.17Å; E213-R241 IonicContact OE2-CZ 3.6Å; E213-R241 IonicContact OE2-NE 3.74Å; E213-R241 IonicContact OE2-NH1 2.67Å; E213-R241 PolarHBondContact OE2-NH1 3.08Å; E213-C242 WeakPolarHBondContact O-CB 3.43Å; E213-C242 PolarHBondContact O-N 3.28Å |
| 214 | S | 86.2 | Confident | 90.3 | Very high | 90 Ų | 90 | 43 Ų | 43 | 63% | 0.629 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.4 | 178.5 | 66.4 | 0 | 0 | 0 | 0 | 115 | S212 | S212-S214 WeakPolarHBondContact CB-OG 3.38Å; S212-S214 PolarHBondContact O-N 2.9Å; S212-S214 PolarHBondContact OG-N 3.43Å; S212-S214 PolarHBondContact OG-OG 3.44Å |
| 215 | D | 88.3 | Confident | 90.2 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | trans | -76.3 | 134.5 | 178.6 | -85.1 | -56.4 | 0 | 0 | 0 | 110.6 | L211 S212 T219 C242 R272 | L211-D215 HydrophobicContact CB-CB 3.95Å; L211-D215 HydrophobicContact CD2-CB 4.16Å; L211-D215 HydrophobicContact CG-CB 4.45Å; S212-D215 WeakPolarHBondContact CB-OD2 3.24Å; S212-D215 PolarHBondContact N-OD2 2.89Å; S212-D215 PolarHBondContact O-N 2.87Å; D215-T219 WeakPolarHBondContact CA-OG1 3.43Å; D215-T219 WeakPolarHBondContact CB-OG1 3.33Å; D215-T219 WeakPolarHBondContact OD1-CB 3.42Å; D215-T219 PolarHBondContact OD1-OG1 2.62Å; D215-C242 WeakPolarHBondContact O-CB 3.31Å; D215-R272 IonicContact OD1-NH1 2.67Å; D215-R272 PolarHBondContact OD1-NH1 3.12Å; D215-R272 IonicContact OD2-NH1 2.64Å; D215-R272 PolarHBondContact OD2-NH1 3.41Å | ||
| 216 | T | 89.6 | Confident | 89.9 | Confident | 64 Ų | 64 | 50.3 Ų | 50.3 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | trans | -109.7 | 177.4 | -173.8 | 66.9 | 0 | 0 | 0 | 0 | 112 | D218 T219 V220 | T216-D218 PolarHBondContact O-N 3.26Å; T216-D218 PolarHBondContact OG1-N 3.44Å; T216-T219 PolarHBondContact N-OG1 3.25Å; T216-T219 PolarHBondContact O-N 2.86Å; T216-T219 PolarHBondContact O-OG1 3.32Å; T216-T219 PolarHBondContact OG1-N 3.48Å; T216-V220 WeakPolarHBondContact O-CG2 3.34Å; T216-V220 PolarHBondContact O-N 3.14Å; T216-V220 VanDerWaalsContact O-N 3.12Å | ||
| 217 | D | 90.1 | Very high | 89.7 | Confident | 44 Ų | 44 | 54 Ų | 54 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.3 | -32.9 | 170.5 | -65.3 | -32.6 | 0 | 0 | 0 | 112.1 | R221 K234 A235 | D217-R221 PolarHBondContact O-N 3.44Å; D217-R221 VanDerWaalsContact O-N 3.15Å; D217-K234 WeakPolarHBondContact OD1-CA 3.35Å; D217-K234 WeakPolarHBondContact OD1-CD 3.3Å; D217-K234 VanDerWaalsContact OD1-CE 3.31Å; D217-K234 WeakPolarHBondContact OD1-CE 3.11Å; D217-K234 IonicContact OD1-NZ 2.91Å; D217-K234 PolarHBondContact OD1-NZ 2.9Å; D217-K234 IonicContact OD2-NZ 3.04Å; D217-K234 PolarHBondContact OD2-NZ 3.48Å; D217-A235 PolarHBondContact OD1-N 3.28Å |
| 218 | D | 89.9 | Confident | 89.5 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -84.5 | -36.3 | -175.6 | -53 | -69.2 | 0 | 0 | 0 | 112.1 | T216 V220 R221 S222 | T216-D218 PolarHBondContact O-N 3.26Å; T216-D218 PolarHBondContact OG1-N 3.44Å; D218-V220 VanDerWaalsContact C-N 3.25Å; D218-V220 PolarHBondContact O-N 3.34Å; D218-R221 WeakPolarHBondContact O-CA 3.46Å; D218-R221 WeakPolarHBondContact O-CB 3.25Å; D218-R221 PolarHBondContact O-N 3.04Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 VanDerWaalsContact OD1-CZ 3.27Å; D218-R221 IonicContact OD1-NH1 2.62Å; D218-R221 PolarHBondContact OD1-NH1 2.92Å; D218-R221 IonicContact OD1-NH2 3.94Å; D218-R221 PolarHBondContact OD1-NH2 3.43Å; D218-S222 PolarHBondContact O-N 3.28Å; D218-S222 PolarHBondContact O-OG 3.03Å |
| 219 | T | 89.8 | Confident | 89.3 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -32.9 | 170 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | D215 T216 R221 S222 L223 | D215-T219 WeakPolarHBondContact CA-OG1 3.43Å; D215-T219 WeakPolarHBondContact CB-OG1 3.33Å; D215-T219 WeakPolarHBondContact OD1-CB 3.42Å; D215-T219 PolarHBondContact OD1-OG1 2.62Å; T216-T219 PolarHBondContact N-OG1 3.25Å; T216-T219 PolarHBondContact O-N 2.86Å; T216-T219 PolarHBondContact O-OG1 3.32Å; T216-T219 PolarHBondContact OG1-N 3.48Å; T219-R221 VanDerWaalsContact C-N 3.3Å; T219-R221 PolarHBondContact O-N 2.86Å; T219-S222 PolarHBondContact O-N 3.38Å; T219-L223 WeakPolarHBondContact O-CG 3.32Å; T219-L223 PolarHBondContact O-N 2.91Å; T219-L223 VanDerWaalsContact O-N 3.13Å |
| 220 | V | 90.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68 | -26.8 | 171.1 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | I208 L211 T216 D218 C233 A235 I248 | I208-V220 HydrophobicContact CG2-CG1 4.36Å; L211-V220 HydrophobicContact CD1-CG2 3.48Å; L211-V220 VanDerWaalsContact CD1-CG2 3.48Å; L211-V220 HydrophobicContact CD2-CG2 4.17Å; T216-V220 WeakPolarHBondContact O-CG2 3.34Å; T216-V220 PolarHBondContact O-N 3.14Å; T216-V220 VanDerWaalsContact O-N 3.12Å; D218-V220 VanDerWaalsContact C-N 3.25Å; D218-V220 PolarHBondContact O-N 3.34Å; V220-C233 HydrophobicContact CG1-CB 4.07Å; V220-A235 HydrophobicContact CG2-CB 4.32Å; V220-I248 HydrophobicContact CG1-CD1 3.98Å; V220-I248 HydrophobicContact CG1-CG1 3.75Å |
| 221 | R | 92.1 | Very high | 89 | Confident | 81 Ų | 81 | 62.8 Ų | 62.8 | 31% | 0.306 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -73.9 | -51.7 | 170.4 | -165.3 | -175.1 | -54.1 | 103.1 | 15.8 | 111.2 | D217 D218 T219 L223 V224 E225 P230 C233 | D217-R221 PolarHBondContact O-N 3.44Å; D217-R221 VanDerWaalsContact O-N 3.15Å; D218-R221 WeakPolarHBondContact O-CA 3.46Å; D218-R221 WeakPolarHBondContact O-CB 3.25Å; D218-R221 PolarHBondContact O-N 3.04Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 VanDerWaalsContact OD1-CZ 3.27Å; D218-R221 IonicContact OD1-NH1 2.62Å; D218-R221 PolarHBondContact OD1-NH1 2.92Å; D218-R221 IonicContact OD1-NH2 3.94Å; D218-R221 PolarHBondContact OD1-NH2 3.43Å; T219-R221 VanDerWaalsContact C-N 3.3Å; T219-R221 PolarHBondContact O-N 2.86Å; R221-L223 PolarHBondContact O-N 3.46Å; R221-L223 VanDerWaalsContact O-N 3.08Å; R221-V224 VanDerWaalsContact O-CG2 3.27Å; R221-V224 WeakPolarHBondContact O-CG2 3.31Å; R221-V224 PolarHBondContact O-N 2.73Å; R221-E225 WeakPolarHBondContact CD-OE1 3.25Å; R221-E225 HydrophobicContact CG-CB 4.39Å; R221-E225 WeakPolarHBondContact O-CB 3.47Å; R221-E225 PolarHBondContact O-N 2.84Å; R221-P230 HydrophobicContact CG-CG 4.13Å; R221-C233 HydrophobicContact CB-CB 4.14Å |
| 222 | S | 90.5 | Very high | 88.9 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -20.6 | -178.3 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | D218 T219 V224 | D218-S222 PolarHBondContact O-N 3.28Å; D218-S222 PolarHBondContact O-OG 3.03Å; T219-S222 PolarHBondContact O-N 3.38Å; S222-V224 VanDerWaalsContact C-N 3.25Å; S222-V224 PolarHBondContact O-N 3.36Å |
| 223 | L | 88.7 | Confident | 89 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -11.9 | 170.8 | -80.5 | 172.2 | 0 | 0 | 0 | 114.9 | I208 L211 T219 R221 H262 L274 | I208-L223 HydrophobicContact CD1-CD1 4.15Å; L211-L223 HydrophobicContact CD2-CD1 4.04Å; T219-L223 WeakPolarHBondContact O-CG 3.32Å; T219-L223 PolarHBondContact O-N 2.91Å; T219-L223 VanDerWaalsContact O-N 3.13Å; R221-L223 PolarHBondContact O-N 3.46Å; R221-L223 VanDerWaalsContact O-N 3.08Å; L223-H262 PolarHBondContact O-CD2 3.13Å; L223-L274 HydrophobicContact CD1-CD1 4.4Å; L223-L274 HydrophobicContact CD2-CD1 4.46Å |
| 224 | V | 90.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -24.4 | 179.4 | -68.2 | 0 | 0 | 0 | 0 | 114.4 | R221 S222 N226 I227 V228 P230 I248 A259 I263 | R221-V224 VanDerWaalsContact O-CG2 3.27Å; R221-V224 WeakPolarHBondContact O-CG2 3.31Å; R221-V224 PolarHBondContact O-N 2.73Å; S222-V224 VanDerWaalsContact C-N 3.25Å; S222-V224 PolarHBondContact O-N 3.36Å; V224-N226 PolarHBondContact O-N 3.45Å; V224-I227 PolarHBondContact O-N 2.83Å; V224-V228 CarbonylContact C-O 3.52Å; V224-V228 PolarHBondContact O-N 3.31Å; V224-P230 HydrophobicContact CG2-CB 4.29Å; V224-P230 HydrophobicContact CG2-CG 3.79Å; V224-I248 HydrophobicContact CG1-CD1 3.78Å; V224-I248 HydrophobicContact CG2-CD1 4.35Å; V224-I248 HydrophobicContact CG2-CG2 4.11Å; V224-A259 HydrophobicContact CB-CB 4.46Å; V224-A259 HydrophobicContact CG1-CB 3.89Å; V224-I263 HydrophobicContact CG1-CD1 3.61Å; V224-I263 HydrophobicContact CG1-CG1 3.86Å |
| 225 | E | 89.5 | Confident | 89.3 | Confident | 100 Ų | 100 | 56.9 Ų | 56.9 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -24.7 | -175.1 | -169 | 156.1 | -141 | 0 | 0 | 114.2 | R221 I227 V228 | R221-E225 WeakPolarHBondContact CD-OE1 3.25Å; R221-E225 HydrophobicContact CG-CB 4.39Å; R221-E225 WeakPolarHBondContact O-CB 3.47Å; R221-E225 PolarHBondContact O-N 2.84Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 2.96Å; E225-V228 WeakPolarHBondContact CA-O 3.25Å |
| 226 | N | 86.6 | Confident | 89.3 | Confident | 135 Ų | 135 | 59.1 Ų | 59.1 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.3 | 175.8 | -61.1 | -39.2 | 0 | 0 | 0 | 114.6 | V224 | V224-N226 PolarHBondContact O-N 3.45Š|
| 227 | I | 89.2 | Confident | 89.1 | Confident | 77 Ų | 77 | 59.5 Ų | 59.5 | 40% | 0.395 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -30.9 | -174.2 | -58.5 | -156.2 | 0 | 0 | 0 | 112.4 | V224 E225 R258 H262 | V224-I227 PolarHBondContact O-N 2.83Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 2.96Å; I227-R258 HydrophobicContact CG2-CB 4.12Å; I227-H262 HydrophobicContact CD1-CB 3.95Å; I227-H262 VanDerWaalsContact CD1-CG 3.5Å; I227-H262 WeakPolarHBondContact CD1-ND1 3.36Å |
| 228 | V | 90.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | trans | -139.8 | 142.4 | -178.8 | 169.4 | 0 | 0 | 0 | 0 | 108.7 | V224 E225 P230 D255 R258 A259 | V224-V228 CarbonylContact C-O 3.52Å; V224-V228 PolarHBondContact O-N 3.31Å; E225-V228 WeakPolarHBondContact CA-O 3.25Å; V228-P230 WeakPolarHBondContact O-CD 3.45Å; V228-D255 HydrophobicContact CG1-CB 3.76Å; V228-D255 HydrophobicContact CG2-CB 4.07Å; V228-D255 WeakPolarHBondContact CG2-O 3.38Å; V228-R258 HydrophobicContact CG2-CB 4.04Å; V228-A259 HydrophobicContact CG2-CB 4.27Å | ||
| 229 | Q | 88.5 | Confident | 88.1 | Confident | 174 Ų | 174 | 63 Ų | 63 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | trans | -91.8 | 99.6 | 168.7 | -173.4 | 169.9 | 87.5 | 0 | 0 | 109.7 | ||||
| 230 | P | 88.5 | Confident | 87.4 | Confident | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.123 | 35% | 0.345 | C | S | . | . | trans | -71.6 | 138.1 | -176.5 | 30.5 | -37.5 | 0 | 0 | 0 | 111.8 | R221 V224 V228 S232 C233 I248 D249 | R221-P230 HydrophobicContact CG-CG 4.13Å; V224-P230 HydrophobicContact CG2-CB 4.29Å; V224-P230 HydrophobicContact CG2-CG 3.79Å; V228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-S232 PolarHBondContact O-N 3.25Å; P230-C233 WeakPolarHBondContact CG-SG 3.46Å; P230-I248 HydrophobicContact CB-CG2 3.85Å; P230-D249 CarbonylContact C-O 3.49Å; P230-D249 WeakPolarHBondContact CA-O 3.3Å | ||
| 231 | K | 86.5 | Confident | 86.9 | Confident | 125 Ų | 125 | 71 Ų | 71 | 54% | 0.543 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -61.2 | -31.8 | 171.1 | -73.9 | 172.7 | 171.1 | 154.1 | 0 | 112.3 | D249 A251 | K231-D249 HydrophobicContact CB-CB 4.3Å; K231-D249 WeakPolarHBondContact CB-O 3.47Å; K231-D249 PolarHBondContact N-O 2.97Å; K231-A251 HydrophobicContact CG-CB 4.42Å; K231-A251 PolarHBondContact NZ-O 3.46Å |
| 232 | S | 86.5 | Confident | 86.4 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 126.8 | 177.8 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | P230 I248 D249 R292 | P230-S232 PolarHBondContact O-N 3.25Å; S232-I248 WeakPolarHBondContact O-CA 3.46Å; S232-D249 PolarHBondContact N-O 2.94Å; S232-D249 PolarHBondContact O-N 3.26Å; S232-R292 PolarHBondContact OG-NH1 3.15Å |
| 233 | C | 90.1 | Very high | 86.3 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 9% | 0.088 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.3 | 165.1 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | V220 R221 P230 F247 | V220-C233 HydrophobicContact CG1-CB 4.07Å; R221-C233 HydrophobicContact CB-CB 4.14Å; P230-C233 WeakPolarHBondContact CG-SG 3.46Å; C233-F247 WeakPolarHBondContact CA-O 3.43Å |
| 234 | K | 89 | Confident | 86.3 | Confident | 101 Ų | 101 | 72.7 Ų | 72.7 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 114.1 | 177.3 | -171.5 | 69.4 | -150.2 | 152.1 | 0 | 112.5 | D217 G246 F247 | D217-K234 WeakPolarHBondContact OD1-CA 3.35Å; D217-K234 WeakPolarHBondContact OD1-CD 3.3Å; D217-K234 VanDerWaalsContact OD1-CE 3.31Å; D217-K234 WeakPolarHBondContact OD1-CE 3.11Å; D217-K234 IonicContact OD1-NZ 2.91Å; D217-K234 PolarHBondContact OD1-NZ 2.9Å; D217-K234 IonicContact OD2-NZ 3.04Å; D217-K234 PolarHBondContact OD2-NZ 3.48Å; K234-G246 CarbonylContact O-C 3.54Å; K234-G246 WeakPolarHBondContact O-CA 3.35Å; K234-F247 PolarHBondContact N-O 2.88Å; K234-F247 PolarHBondContact O-N 3.33Å |
| 235 | A | 90.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 138.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | D217 V220 V237 | D217-A235 PolarHBondContact OD1-N 3.28Å; V220-A235 HydrophobicContact CG2-CB 4.32Å; A235-V237 HydrophobicContact CB-CG2 4.39Å; A235-V237 PolarHBondContact O-N 3.17Å |
| 236 | M | 87.6 | Confident | 86.4 | Confident | 57 Ų | 57 | 68.1 Ų | 68.1 | 28% | 0.281 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 83.7 | 175.8 | -176.8 | 163.1 | 51.9 | 0 | 0 | 109.9 | R243 S245 | M236-R243 HydrophobicContact CE-CB 4.46Å; M236-R243 HydrophobicContact CE-CG 4.38Å; M236-R243 HydrophobicContact CG-CB 4.39Å; M236-R243 WeakPolarHBondContact O-CB 3.35Å; M236-R243 PolarHBondContact O-N 2.91Å; M236-S245 WeakPolarHBondContact CB-O 3.35Å; M236-S245 WeakPolarHBondContact CE-OG 3.18Å; M236-S245 PolarHBondContact N-O 3.37Å |
| 237 | V | 85.3 | Confident | 86.8 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.7 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | A235 R241 | A235-V237 HydrophobicContact CB-CG2 4.39Å; A235-V237 PolarHBondContact O-N 3.17Å; V237-R241 CarbonylContact C-O 3.55Å; V237-R241 WeakPolarHBondContact CA-O 3.36Å |
| 238 | V | 80.2 | Confident | 86.9 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.7 | 173.7 | 180 | 0 | 0 | 0 | 0 | 108.4 | G240 R241 R243 | V238-G240 PolarHBondContact O-N 3.06Å; V238-G240 VanDerWaalsContact O-N 3.16Å; V238-R241 PolarHBondContact N-O 3.22Å; V238-R241 PolarHBondContact O-N 3.36Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-R241 VanDerWaalsContact O-O 3.08Å; V238-R243 HydrophobicContact CG2-CB 4.3Å |
| 239 | N | 79.3 | Confident | 87 | Confident | 137 Ų | 137 | 62.2 Ų | 62.2 | 73% | 0.733 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 35.9 | -176.7 | -57.1 | -11.5 | 0 | 0 | 0 | 113.6 | R241 | N239-R241 VanDerWaalsContact C-N 3.33Å; N239-R241 PolarHBondContact O-N 3.41Å |
| 240 | G | 75.4 | Confident | 87.2 | Confident | 69 Ų | 69 | 54 Ų | 54 | 71% | 0.711 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -6.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | V238 | V238-G240 PolarHBondContact O-N 3.06Å; V238-G240 VanDerWaalsContact O-N 3.16Å |
| 241 | R | 79.2 | Confident | 87.3 | Confident | 149 Ų | 149 | 55.2 Ų | 55.2 | 56% | 0.562 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 149.3 | 175.4 | -69.4 | -171.1 | -75.2 | 151.3 | -6.3 | 111.7 | E213 V237 V238 N239 | E213-R241 VanDerWaalsContact CD-NH1 3.29Å; E213-R241 IonicContact OE1-NH1 2.66Å; E213-R241 PolarHBondContact OE1-NH1 3.35Å; E213-R241 WeakPolarHBondContact OE2-CD 3.17Å; E213-R241 IonicContact OE2-CZ 3.6Å; E213-R241 IonicContact OE2-NE 3.74Å; E213-R241 IonicContact OE2-NH1 2.67Å; E213-R241 PolarHBondContact OE2-NH1 3.08Å; V237-R241 CarbonylContact C-O 3.55Å; V237-R241 WeakPolarHBondContact CA-O 3.36Å; V238-R241 PolarHBondContact N-O 3.22Å; V238-R241 PolarHBondContact O-N 3.36Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-R241 VanDerWaalsContact O-O 3.08Å; N239-R241 VanDerWaalsContact C-N 3.33Å; N239-R241 PolarHBondContact O-N 3.41Å |
| 242 | C | 83.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.4 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | S212 E213 D215 G244 | S212-C242 WeakPolarHBondContact O-CB 3.45Å; E213-C242 WeakPolarHBondContact O-CB 3.43Å; E213-C242 PolarHBondContact O-N 3.28Å; D215-C242 WeakPolarHBondContact O-CB 3.31Å; C242-G244 PolarHBondContact O-N 3.1Å; C242-G244 VanDerWaalsContact O-N 3.11Å |
| 243 | R | 86.6 | Confident | 87.8 | Confident | 175 Ų | 175 | 52.9 Ų | 52.9 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 25.9 | 176.5 | -169 | 166.2 | 168.4 | 137.2 | 5.9 | 112.4 | M236 V238 S245 | M236-R243 HydrophobicContact CE-CB 4.46Å; M236-R243 HydrophobicContact CE-CG 4.38Å; M236-R243 HydrophobicContact CG-CB 4.39Å; M236-R243 WeakPolarHBondContact O-CB 3.35Å; M236-R243 PolarHBondContact O-N 2.91Å; V238-R243 HydrophobicContact CG2-CB 4.3Å; R243-S245 PolarHBondContact O-N 3.49Å; R243-S245 PolarHBondContact O-OG 3.43Å; R243-S245 VanDerWaalsContact O-OG 3.12Å |
| 244 | G | 88.6 | Confident | 88 | Confident | 18 Ų | 18 | 58 Ų | 58 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.4 | 27.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | S209 G210 L211 C242 | S209-G244 CarbonylContact C-O 3.55Å; S209-G244 WeakPolarHBondContact CA-O 3.49Å; G210-G244 PolarHBondContact N-O 2.85Å; L211-G244 PolarHBondContact N-O 3.12Å; L211-G244 VanDerWaalsContact N-O 3.12Å; L211-G244 WeakPolarHBondContact O-CA 3.31Å; C242-G244 PolarHBondContact O-N 3.1Å; C242-G244 VanDerWaalsContact O-N 3.11Å |
| 245 | S | 91.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 156.9 | -175.9 | 47 | 0 | 0 | 0 | 0 | 112.5 | Y207 I208 M236 R243 | Y207-S245 WeakPolarHBondContact OH-CB 3.4Å; I208-S245 CarbonylContact O-C 3.59Å; I208-S245 WeakPolarHBondContact O-CA 3.28Å; I208-S245 WeakPolarHBondContact O-CB 3.4Å; M236-S245 WeakPolarHBondContact CB-O 3.35Å; M236-S245 WeakPolarHBondContact CE-OG 3.18Å; M236-S245 PolarHBondContact N-O 3.37Å; R243-S245 PolarHBondContact O-N 3.49Å; R243-S245 PolarHBondContact O-OG 3.43Å; R243-S245 VanDerWaalsContact O-OG 3.12Å |
| 246 | G | 92.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | -177.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y207 I208 K234 | Y207-G246 WeakPolarHBondContact CD2-O 3.08Å; I208-G246 WeakPolarHBondContact CG2-O 3.33Å; I208-G246 PolarHBondContact N-O 2.62Å; I208-G246 PolarHBondContact O-N 2.89Å; K234-G246 CarbonylContact O-C 3.54Å; K234-G246 WeakPolarHBondContact O-CA 3.35Å |
| 247 | F | 93.3 | Very high | 88.7 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 145 | -178.5 | -62.3 | -92.7 | 0 | 0 | 0 | 110.8 | L206 Y207 C233 K234 A279 | L206-F247 CarbonylContact O-C 3.54Å; L206-F247 VanDerWaalsContact O-CA 3.28Å; L206-F247 WeakPolarHBondContact O-CA 3.15Å; Y207-F247 HydrophobicContact CD2-CD1 4.09Å; Y207-F247 AromaticContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE2 4.17Å; Y207-F247 AromaticContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CE2-CE1 4.45Å; Y207-F247 HydrophobicContact CE2-CE2 4.42Å; Y207-F247 HydrophobicContact CE2-CZ 4.06Å; Y207-F247 HydrophobicContact CG-CE1 4.35Å; C233-F247 WeakPolarHBondContact CA-O 3.43Å; K234-F247 PolarHBondContact N-O 2.88Å; K234-F247 PolarHBondContact O-N 3.33Å; F247-A279 HydrophobicContact CD1-CB 4.12Å; F247-A279 HydrophobicContact CE1-CB 4.23Å |
| 248 | I | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 111.6 | 179.5 | -53.1 | 178.2 | 0 | 0 | 0 | 108.3 | N205 L206 I208 V220 V224 P230 S232 I263 | N205-I248 CarbonylContact C-O 3.55Å; N205-I248 WeakPolarHBondContact CA-O 3Å; L206-I248 HydrophobicContact CB-CB 4.36Å; L206-I248 PolarHBondContact N-O 2.89Å; L206-I248 PolarHBondContact O-N 3.32Å; I208-I248 HydrophobicContact CG2-CD1 4.46Å; V220-I248 HydrophobicContact CG1-CD1 3.98Å; V220-I248 HydrophobicContact CG1-CG1 3.75Å; V224-I248 HydrophobicContact CG1-CD1 3.78Å; V224-I248 HydrophobicContact CG2-CD1 4.35Å; V224-I248 HydrophobicContact CG2-CG2 4.11Å; P230-I248 HydrophobicContact CB-CG2 3.85Å; S232-I248 WeakPolarHBondContact O-CA 3.46Å; I248-I263 HydrophobicContact CD1-CD1 3.77Å |
| 249 | D | 91.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109.1 | 176.4 | 175.8 | 8.4 | 0 | 0 | 0 | 108.1 | N205 P230 K231 S232 K364 | N205-D249 WeakPolarHBondContact OD1-CB 3.48Å; N205-D249 PolarHBondContact OD1-OD1 3.3Å; P230-D249 CarbonylContact C-O 3.49Å; P230-D249 WeakPolarHBondContact CA-O 3.3Å; K231-D249 HydrophobicContact CB-CB 4.3Å; K231-D249 WeakPolarHBondContact CB-O 3.47Å; K231-D249 PolarHBondContact N-O 2.97Å; S232-D249 PolarHBondContact N-O 2.94Å; S232-D249 PolarHBondContact O-N 3.26Å; D249-K364 IonicContact OD2-NZ 3.27Å; D249-K364 PolarHBondContact OD2-NZ 2.78Å |
| 250 | C | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -91.8 | 159.1 | -176 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | T204 D255 A256 | T204-C250 VanDerWaalsContact O-CB 3.27Å; T204-C250 WeakPolarHBondContact O-CB 3.3Å; T204-C250 PolarHBondContact O-N 2.92Å; C250-D255 HydrophobicContact CB-CB 3.83Å; C250-A256 HydrophobicContact CB-CB 3.98Å | ||
| 251 | A | 90.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 52.4 Ų | 52.4 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -70.7 | -43.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K231 D255 | K231-A251 HydrophobicContact CG-CB 4.42Å; K231-A251 PolarHBondContact NZ-O 3.46Å; A251-D255 VanDerWaalsContact CB-OD2 3.24Å; A251-D255 WeakPolarHBondContact CB-OD2 3.3Å; A251-D255 PolarHBondContact N-OD2 2.91Å |
| 252 | S | 91.7 | Very high | 91.8 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -125 | -172.8 | 173.6 | 80.5 | 0 | 0 | 0 | 0 | 113.1 | E254 D255 A256 | S252-E254 WeakPolarHBondContact CB-OE2 3.41Å; S252-E254 PolarHBondContact OG-N 2.96Å; S252-E254 PolarHBondContact OG-OE2 3.44Å; S252-D255 PolarHBondContact N-OD2 3.33Å; S252-D255 PolarHBondContact OG-N 3.22Å; S252-A256 PolarHBondContact O-N 3.21Å |
| 253 | E | 93 | Very high | 92.2 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -79 | -39.6 | 175.1 | -176.6 | 164.6 | -164.8 | 0 | 0 | 111.1 | K203 D255 A256 E257 | K203-E253 HydrophobicContact CB-CB 4.36Å; K203-E253 HydrophobicContact CB-CG 4.02Å; K203-E253 VanDerWaalsContact CD-OE2 3.29Å; K203-E253 WeakPolarHBondContact CD-OE2 3.15Å; K203-E253 WeakPolarHBondContact CE-OE2 3.31Å; K203-E253 WeakPolarHBondContact CG-OE1 3.32Å; K203-E253 IonicContact NZ-OE1 3.17Å; K203-E253 PolarHBondContact NZ-OE1 2.95Å; K203-E253 IonicContact NZ-OE2 2.81Å; K203-E253 PolarHBondContact NZ-OE2 3.06Å; E253-D255 VanDerWaalsContact C-N 3.29Å; E253-D255 PolarHBondContact O-N 3.46Å; E253-A256 CarbonylContact O-C 3.59Å; E253-A256 WeakPolarHBondContact O-CA 3.42Å; E253-A256 WeakPolarHBondContact O-CB 3.29Å; E253-A256 PolarHBondContact O-N 2.96Å; E253-E257 WeakPolarHBondContact O-CG 3.13Å; E253-E257 PolarHBondContact O-N 3.43Å |
| 254 | E | 93.7 | Very high | 92.4 | Very high | 122 Ų | 122 | 42.3 Ų | 42.3 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.4 | -39 | 173.8 | -51.7 | 75.5 | -167 | 0 | 0 | 111.1 | S252 E257 R258 | S252-E254 WeakPolarHBondContact CB-OE2 3.41Å; S252-E254 PolarHBondContact OG-N 2.96Å; S252-E254 PolarHBondContact OG-OE2 3.44Å; E254-E257 PolarHBondContact O-N 2.96Å; E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 3.38Å |
| 255 | D | 94 | Very high | 92.3 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 169.5 | -81.8 | -13.8 | 0 | 0 | 0 | 112.4 | V228 C250 A251 S252 E253 E257 R258 A259 | V228-D255 HydrophobicContact CG1-CB 3.76Å; V228-D255 HydrophobicContact CG2-CB 4.07Å; V228-D255 WeakPolarHBondContact CG2-O 3.38Å; C250-D255 HydrophobicContact CB-CB 3.83Å; A251-D255 VanDerWaalsContact CB-OD2 3.24Å; A251-D255 WeakPolarHBondContact CB-OD2 3.3Å; A251-D255 PolarHBondContact N-OD2 2.91Å; S252-D255 PolarHBondContact N-OD2 3.33Å; S252-D255 PolarHBondContact OG-N 3.22Å; E253-D255 VanDerWaalsContact C-N 3.29Å; E253-D255 PolarHBondContact O-N 3.46Å; D255-E257 VanDerWaalsContact C-N 3.27Å; D255-E257 PolarHBondContact O-N 3.47Å; D255-R258 PolarHBondContact O-N 3.14Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NE 3.74Å; D255-R258 IonicContact OD1-NH2 2.88Å; D255-R258 PolarHBondContact OD1-NH2 3.01Å; D255-A259 VanDerWaalsContact O-CB 3.31Å; D255-A259 WeakPolarHBondContact O-CB 3.34Å; D255-A259 PolarHBondContact O-N 3.32Å |
| 256 | A | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -34.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K203 L206 C250 S252 E253 K260 Y278 | K203-A256 WeakPolarHBondContact O-CB 3.22Å; L206-A256 WeakPolarHBondContact CD1-O 3.46Å; L206-A256 HydrophobicContact CD2-CB 4.16Å; L206-A256 HydrophobicContact CG-CB 4.29Å; C250-A256 HydrophobicContact CB-CB 3.98Å; S252-A256 PolarHBondContact O-N 3.21Å; E253-A256 CarbonylContact O-C 3.59Å; E253-A256 WeakPolarHBondContact O-CA 3.42Å; E253-A256 WeakPolarHBondContact O-CB 3.29Å; E253-A256 PolarHBondContact O-N 2.96Å; A256-K260 WeakPolarHBondContact O-CB 3.43Å; A256-K260 PolarHBondContact O-N 3.1Å; A256-Y278 HydrophobicContact CB-CE1 4.43Å |
| 257 | E | 93.9 | Very high | 91.7 | Very high | 105 Ų | 105 | 46.9 Ų | 46.9 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.1 | -46.2 | 172.7 | -59.4 | -148.4 | 126.9 | 0 | 0 | 112.5 | E253 E254 D255 K260 A261 Y278 | E253-E257 WeakPolarHBondContact O-CG 3.13Å; E253-E257 PolarHBondContact O-N 3.43Å; E254-E257 PolarHBondContact O-N 2.96Å; D255-E257 VanDerWaalsContact C-N 3.27Å; D255-E257 PolarHBondContact O-N 3.47Å; E257-K260 PolarHBondContact O-N 2.84Å; E257-A261 WeakPolarHBondContact O-CB 3.45Å; E257-A261 PolarHBondContact O-N 2.99Å; E257-Y278 PolarHBondContact OE1-OH 3.33Å |
| 258 | R | 94.2 | Very high | 91.3 | Very high | 136 Ų | 136 | 51.7 Ų | 51.7 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.5 | -70.3 | -169.8 | -64.4 | 175.7 | 1 | 112 | I227 V228 E254 D255 A261 H262 | I227-R258 HydrophobicContact CG2-CB 4.12Å; V228-R258 HydrophobicContact CG2-CB 4.04Å; E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 3.38Å; D255-R258 PolarHBondContact O-N 3.14Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NE 3.74Å; D255-R258 IonicContact OD1-NH2 2.88Å; D255-R258 PolarHBondContact OD1-NH2 3.01Å; R258-A261 PolarHBondContact O-N 3.44Å; R258-H262 WeakPolarHBondContact O-CB 3.5Å; R258-H262 PolarHBondContact O-N 2.96Å |
| 259 | A | 94.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L206 V224 V228 D255 H262 I263 | L206-A259 HydrophobicContact CD1-CB 3.81Å; V224-A259 HydrophobicContact CB-CB 4.46Å; V224-A259 HydrophobicContact CG1-CB 3.89Å; V228-A259 HydrophobicContact CG2-CB 4.27Å; D255-A259 VanDerWaalsContact O-CB 3.31Å; D255-A259 WeakPolarHBondContact O-CB 3.34Å; D255-A259 PolarHBondContact O-N 3.32Å; A259-H262 PolarHBondContact O-N 3.5Å; A259-I263 WeakPolarHBondContact O-CD1 3.35Å; A259-I263 VanDerWaalsContact O-CG1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.48Å; A259-I263 PolarHBondContact O-N 2.99Å |
| 260 | K | 93.4 | Very high | 90.1 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175 | 169.3 | -171.4 | 164.7 | -154 | 0 | 111.9 | L206 A256 E257 L264 V276 Y278 | L206-K260 HydrophobicContact CD1-CB 4.11Å; L206-K260 HydrophobicContact CD2-CB 4.12Å; A256-K260 WeakPolarHBondContact O-CB 3.43Å; A256-K260 PolarHBondContact O-N 3.1Å; E257-K260 PolarHBondContact O-N 2.84Å; K260-L264 HydrophobicContact CG-CD1 4.35Å; K260-L264 WeakPolarHBondContact O-CD1 3.24Å; K260-L264 VanDerWaalsContact O-CG 3.28Å; K260-L264 WeakPolarHBondContact O-CG 3.43Å; K260-L264 PolarHBondContact O-N 2.93Å; K260-V276 HydrophobicContact CB-CG1 4.3Å; K260-V276 HydrophobicContact CG-CG1 4.36Å; K260-Y278 HydrophobicContact CD-CE2 4.19Å; K260-Y278 PolarHBondContact NZ-OH 3.06Å |
| 261 | A | 92.4 | Very high | 89.3 | Confident | 61 Ų | 61 | 63 Ų | 63 | 50% | 0.504 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E257 R258 I263 L264 E265 | E257-A261 WeakPolarHBondContact O-CB 3.45Å; E257-A261 PolarHBondContact O-N 2.99Å; R258-A261 PolarHBondContact O-N 3.44Å; A261-I263 PolarHBondContact O-N 3.31Å; A261-L264 PolarHBondContact O-N 3.28Å; A261-E265 PolarHBondContact O-N 3.31Å; A261-E265 VanDerWaalsContact O-N 3.11Å |
| 262 | H | 91.4 | Very high | 88.9 | Confident | 41 Ų | 41 | 65.5 Ų | 65.5 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 179 | -173.2 | 46.7 | 0 | 0 | 0 | 112.5 | L223 I227 R258 A259 L264 E265 C266 | L223-H262 PolarHBondContact O-CD2 3.13Å; I227-H262 HydrophobicContact CD1-CB 3.95Å; I227-H262 VanDerWaalsContact CD1-CG 3.5Å; I227-H262 WeakPolarHBondContact CD1-ND1 3.36Å; R258-H262 WeakPolarHBondContact O-CB 3.5Å; R258-H262 PolarHBondContact O-N 2.96Å; A259-H262 PolarHBondContact O-N 3.5Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.99Å; H262-E265 PolarHBondContact O-N 3.46Å; H262-C266 PolarHBondContact CE1-SG 3.39Å; H262-C266 WeakPolarHBondContact O-CB 3.42Å; H262-C266 PolarHBondContact O-N 2.91Å; H262-C266 PolarHBondContact O-SG 3.47Å |
| 263 | I | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | -178.3 | -60.2 | 157.1 | 0 | 0 | 0 | 111.4 | I208 V224 I248 A259 A261 C266 A267 L274 V276 | I208-I263 HydrophobicContact CD1-CD1 4.44Å; I208-I263 HydrophobicContact CD1-CG2 3.73Å; I208-I263 HydrophobicContact CG1-CG2 4.46Å; V224-I263 HydrophobicContact CG1-CD1 3.61Å; V224-I263 HydrophobicContact CG1-CG1 3.86Å; I248-I263 HydrophobicContact CD1-CD1 3.77Å; A259-I263 WeakPolarHBondContact O-CD1 3.35Å; A259-I263 VanDerWaalsContact O-CG1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.48Å; A259-I263 PolarHBondContact O-N 2.99Å; A261-I263 PolarHBondContact O-N 3.31Å; I263-C266 CarbonylContact O-C 3.55Å; I263-C266 PolarHBondContact O-N 2.85Å; I263-A267 WeakPolarHBondContact O-CB 3.34Å; I263-A267 PolarHBondContact O-N 2.99Å; I263-L274 HydrophobicContact CG2-CB 4.26Å; I263-L274 HydrophobicContact CG2-CD1 4.1Å; I263-V276 HydrophobicContact CB-CG2 3.72Å; I263-V276 HydrophobicContact CD1-CG2 3.83Å; I263-V276 HydrophobicContact CG1-CG2 4.4Å; I263-V276 HydrophobicContact CG2-CG2 3.35Å |
| 264 | L | 89.9 | Confident | 88.5 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 41% | 0.408 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 176.2 | -72 | 169.3 | 0 | 0 | 0 | 111.8 | K260 A261 H262 A267 R268 | K260-L264 HydrophobicContact CG-CD1 4.35Å; K260-L264 WeakPolarHBondContact O-CD1 3.24Å; K260-L264 VanDerWaalsContact O-CG 3.28Å; K260-L264 WeakPolarHBondContact O-CG 3.43Å; K260-L264 PolarHBondContact O-N 2.93Å; A261-L264 PolarHBondContact O-N 3.28Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.99Å; L264-A267 VanDerWaalsContact O-CB 3.26Å; L264-A267 WeakPolarHBondContact O-CB 3.29Å; L264-A267 PolarHBondContact O-N 2.98Å; L264-R268 PolarHBondContact O-N 2.89Å |
| 265 | E | 88 | Confident | 88.3 | Confident | 84 Ų | 84 | 66.7 Ų | 66.7 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 173.6 | -177.7 | 55.6 | -164.7 | 0 | 0 | 111.6 | A261 H262 A267 R268 T269 | A261-E265 PolarHBondContact O-N 3.31Å; A261-E265 VanDerWaalsContact O-N 3.11Å; H262-E265 PolarHBondContact O-N 3.46Å; E265-A267 PolarHBondContact O-N 3.48Å; E265-R268 WeakPolarHBondContact O-CA 3.38Å; E265-R268 WeakPolarHBondContact O-CB 3.23Å; E265-R268 PolarHBondContact O-N 3.2Å; E265-R268 IonicContact OE1-CZ 3.9Å; E265-R268 VanDerWaalsContact OE1-CZ 3.31Å; E265-R268 IonicContact OE1-NE 3.16Å; E265-R268 PolarHBondContact OE1-NE 2.93Å; E265-R268 VanDerWaalsContact OE1-NE 3.17Å; E265-R268 IonicContact OE1-NH2 2.7Å; E265-R268 PolarHBondContact OE1-NH2 3.11Å; E265-R268 IonicContact OE2-CZ 3.64Å; E265-R268 IonicContact OE2-NE 3.34Å; E265-R268 PolarHBondContact OE2-NE 3.41Å; E265-R268 IonicContact OE2-NH2 2.69Å; E265-T269 PolarHBondContact O-N 3.2Å; E265-T269 PolarHBondContact O-OG1 3.46Å |
| 266 | C | 85.3 | Confident | 88.2 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 14% | 0.142 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -28.8 | 170.4 | -70.7 | 0 | 0 | 0 | 0 | 113.1 | H262 I263 N270 | H262-C266 PolarHBondContact CE1-SG 3.39Å; H262-C266 WeakPolarHBondContact O-CB 3.42Å; H262-C266 PolarHBondContact O-N 2.91Å; H262-C266 PolarHBondContact O-SG 3.47Å; I263-C266 CarbonylContact O-C 3.55Å; I263-C266 PolarHBondContact O-N 2.85Å; C266-N270 WeakPolarHBondContact O-CB 3.4Å; C266-N270 PolarHBondContact O-N 2.99Å; C266-N270 PolarHBondContact O-ND2 3.45Å |
| 267 | A | 86.4 | Confident | 88.2 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 12% | 0.116 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.9 | -46.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I263 L264 E265 G271 R272 L274 | I263-A267 WeakPolarHBondContact O-CB 3.34Å; I263-A267 PolarHBondContact O-N 2.99Å; L264-A267 VanDerWaalsContact O-CB 3.26Å; L264-A267 WeakPolarHBondContact O-CB 3.29Å; L264-A267 PolarHBondContact O-N 2.98Å; E265-A267 PolarHBondContact O-N 3.48Å; A267-G271 PolarHBondContact O-N 2.95Å; A267-R272 CarbonylContact C-O 3.51Å; A267-R272 VanDerWaalsContact CA-O 3.24Å; A267-R272 WeakPolarHBondContact CA-O 3.29Å; A267-R272 WeakPolarHBondContact CB-O 3.42Å; A267-R272 VanDerWaalsContact O-O 3.08Å; A267-L274 HydrophobicContact CB-CB 3.8Å; A267-L274 HydrophobicContact CB-CG 4.48Å |
| 268 | R | 84.4 | Confident | 88.2 | Confident | 182 Ų | 182 | 70.2 Ų | 70.2 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.8 | -44.6 | 178.5 | -161.6 | -175.8 | 72.9 | 83.7 | 1.4 | 111.8 | L264 E265 | L264-R268 PolarHBondContact O-N 2.89Å; E265-R268 WeakPolarHBondContact O-CA 3.38Å; E265-R268 WeakPolarHBondContact O-CB 3.23Å; E265-R268 PolarHBondContact O-N 3.2Å; E265-R268 IonicContact OE1-CZ 3.9Å; E265-R268 VanDerWaalsContact OE1-CZ 3.31Å; E265-R268 IonicContact OE1-NE 3.16Å; E265-R268 PolarHBondContact OE1-NE 2.93Å; E265-R268 VanDerWaalsContact OE1-NE 3.17Å; E265-R268 IonicContact OE1-NH2 2.7Å; E265-R268 PolarHBondContact OE1-NH2 3.11Å; E265-R268 IonicContact OE2-CZ 3.64Å; E265-R268 IonicContact OE2-NE 3.34Å; E265-R268 PolarHBondContact OE2-NE 3.41Å; E265-R268 IonicContact OE2-NH2 2.69Å |
| 269 | T | 81.6 | Confident | 88 | Confident | 96 Ų | 96 | 64 Ų | 64 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.4 | -43.5 | -177.4 | -48.1 | 0 | 0 | 0 | 0 | 113.2 | E265 G271 | E265-T269 PolarHBondContact O-N 3.2Å; E265-T269 PolarHBondContact O-OG1 3.46Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact O-N 3.2Å |
| 270 | N | 76.4 | Confident | 87.6 | Confident | 86 Ų | 86 | 69.8 Ų | 69.8 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -84.6 | 3.3 | -174 | -64.5 | -59.3 | 0 | 0 | 0 | 114.1 | C266 R272 | C266-N270 WeakPolarHBondContact O-CB 3.4Å; C266-N270 PolarHBondContact O-N 2.99Å; C266-N270 PolarHBondContact O-ND2 3.45Å; N270-R272 PolarHBondContact O-N 2.87Å |
| 271 | G | 77.6 | Confident | 87 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | trans | 64.1 | 0.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A267 T269 | A267-G271 PolarHBondContact O-N 2.95Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact O-N 3.2Å | ||
| 272 | R | 81.7 | Confident | 86.2 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | trans | -84 | 126.4 | 179.3 | -72.3 | -163.6 | -94.2 | 177 | -7.2 | 109.6 | D215 A267 N270 L274 | D215-R272 IonicContact OD1-NH1 2.67Å; D215-R272 PolarHBondContact OD1-NH1 3.12Å; D215-R272 IonicContact OD2-NH1 2.64Å; D215-R272 PolarHBondContact OD2-NH1 3.41Å; A267-R272 CarbonylContact C-O 3.51Å; A267-R272 VanDerWaalsContact CA-O 3.24Å; A267-R272 WeakPolarHBondContact CA-O 3.29Å; A267-R272 WeakPolarHBondContact CB-O 3.42Å; A267-R272 VanDerWaalsContact O-O 3.08Å; N270-R272 PolarHBondContact O-N 2.87Å; R272-L274 HydrophobicContact CB-CG 4.06Å; R272-L274 PolarHBondContact O-N 3.2Å | ||
| 273 | K | 85 | Confident | 85.7 | Confident | 196 Ų | 196 | 74.3 Ų | 74.3 | 85% | 0.852 | 37% | 0.367 | S | S | * | . | trans | -74.4 | 55.7 | 179.6 | -63.6 | -177.2 | 179.6 | 179.1 | 0 | 112.6 | ||||
| 274 | L | 89.5 | Confident | 85.3 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | trans | -71.1 | 138.5 | 175.2 | -55.8 | 174.5 | 0 | 0 | 0 | 110 | I208 S209 G210 L211 L223 I263 A267 R272 | I208-L274 HydrophobicContact CD1-CD2 4.46Å; S209-L274 CarbonylContact O-C 3.52Å; S209-L274 VanDerWaalsContact O-CA 3.3Å; S209-L274 WeakPolarHBondContact O-CA 3.16Å; G210-L274 WeakPolarHBondContact O-CD2 3.16Å; L211-L274 HydrophobicContact CD2-CD2 3.92Å; L211-L274 HydrophobicContact CG-CD2 4.48Å; L223-L274 HydrophobicContact CD1-CD1 4.4Å; L223-L274 HydrophobicContact CD2-CD1 4.46Å; I263-L274 HydrophobicContact CG2-CB 4.26Å; I263-L274 HydrophobicContact CG2-CD1 4.1Å; A267-L274 HydrophobicContact CB-CB 3.8Å; A267-L274 HydrophobicContact CB-CG 4.48Å; R272-L274 HydrophobicContact CB-CG 4.06Å; R272-L274 PolarHBondContact O-N 3.2Å | ||
| 275 | S | 90.4 | Very high | 85.2 | Confident | 47 Ų | 47 | 77.3 Ų | 77.3 | 33% | 0.329 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 125.7 | 174.7 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | S209 | S209-S275 PolarHBondContact N-O 2.96Å; S209-S275 PolarHBondContact O-N 3.1Å; S209-S275 PolarHBondContact OG-O 3.32Å |
| 276 | V | 92.8 | Very high | 85.2 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 137.9 | -177.7 | -178.9 | 0 | 0 | 0 | 0 | 110.4 | L206 Y207 I208 K260 I263 | L206-V276 HydrophobicContact CB-CG1 3.93Å; L206-V276 HydrophobicContact CD1-CG1 4.1Å; L206-V276 HydrophobicContact CD2-CG1 4.15Å; L206-V276 HydrophobicContact CG-CG1 4.29Å; Y207-V276 WeakPolarHBondContact O-CA 3.35Å; I208-V276 HydrophobicContact CB-CG2 4.14Å; I208-V276 HydrophobicContact CD1-CG2 4.39Å; I208-V276 HydrophobicContact CG1-CG2 4.01Å; K260-V276 HydrophobicContact CB-CG1 4.3Å; K260-V276 HydrophobicContact CG-CG1 4.36Å; I263-V276 HydrophobicContact CB-CG2 3.72Å; I263-V276 HydrophobicContact CD1-CG2 3.83Å; I263-V276 HydrophobicContact CG1-CG2 4.4Å; I263-V276 HydrophobicContact CG2-CG2 3.35Å |
| 277 | K | 93.2 | Very high | 85.6 | Confident | 134 Ų | 134 | 76.5 Ų | 76.5 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.7 | 176.3 | -58.6 | -175.7 | -179 | -175.9 | 0 | 108.6 | L206 Y207 A279 | L206-K277 CarbonylContact C-O 3.49Å; L206-K277 WeakPolarHBondContact CA-O 3.06Å; Y207-K277 PolarHBondContact N-O 3.21Å; Y207-K277 PolarHBondContact O-N 3Å; K277-A279 PolarHBondContact O-N 3.4Å |
| 278 | Y | 93.3 | Very high | 85.9 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 21% | 0.208 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 137.1 | 165 | -60.5 | -78.8 | 0 | 0 | 0 | 109.3 | K203 L206 A256 E257 K260 | K203-Y278 WeakPolarHBondContact O-CE1 3.2Å; L206-Y278 HydrophobicContact CD2-CD1 3.95Å; L206-Y278 HydrophobicContact CD2-CE1 4.11Å; A256-Y278 HydrophobicContact CB-CE1 4.43Å; E257-Y278 PolarHBondContact OE1-OH 3.33Å; K260-Y278 HydrophobicContact CD-CE2 4.19Å; K260-Y278 PolarHBondContact NZ-OH 3.06Å |
| 279 | A | 89.9 | Confident | 86.3 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 147.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | T201 S202 N205 F247 K277 | T201-A279 CarbonylContact C-O 3.52Å; T201-A279 VanDerWaalsContact CA-O 3.24Å; T201-A279 WeakPolarHBondContact CA-O 3.47Å; T201-A279 WeakPolarHBondContact CB-O 3.45Å; S202-A279 PolarHBondContact N-O 3.02Å; S202-A279 PolarHBondContact OG-O 2.96Å; N205-A279 HydrophobicContact CB-CB 4.07Å; N205-A279 PolarHBondContact O-N 2.82Å; F247-A279 HydrophobicContact CD1-CB 4.12Å; F247-A279 HydrophobicContact CE1-CB 4.23Å; K277-A279 PolarHBondContact O-N 3.4Å |
| 280 | Y | 85.5 | Confident | 86.9 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 48% | 0.478 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 130.5 | 165.7 | -67.8 | -76.8 | 0 | 0 | 0 | 108.9 | K197 S198 T201 | K197-Y280 HydrophobicContact CG-CD1 4.19Å; K197-Y280 HydrophobicContact CG-CE1 4.37Å; K197-Y280 HydrophobicContact CG-CG 4.37Å; S198-Y280 WeakPolarHBondContact O-CD1 3.26Å; T201-Y280 HydrophobicContact CG2-CD1 3.77Å; T201-Y280 HydrophobicContact CG2-CE1 3.77Å; T201-Y280 HydrophobicContact CG2-CG 4.41Å |
| 281 | E | 80.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 131.1 | 174.7 | -165.7 | 144.2 | -163.5 | 0 | 0 | 109.4 | S198 V200 K284 | S198-E281 PolarHBondContact OG-O 3.05Å; V200-E281 PolarHBondContact O-N 3.32Å; V200-E281 VanDerWaalsContact O-N 3.09Å; E281-K284 WeakPolarHBondContact OE1-CE 3.39Å; E281-K284 IonicContact OE1-NZ 2.61Å; E281-K284 PolarHBondContact OE1-NZ 3.44Å |
| 282 | N | 76.8 | Confident | 88.2 | Confident | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.353 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 142.1 | 170 | -63.5 | -37.9 | 0 | 0 | 0 | 107.9 | K284 D367 | N282-K284 PolarHBondContact O-N 3.18Å; N282-D367 HydrophobicContact CB-CB 4.1Å; N282-D367 PolarHBondContact ND2-OD2 3.48Å |
| 283 | E | 80.2 | Confident | 88.4 | Confident | 124 Ų | 124 | 59.9 Ų | 59.9 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 130.5 | 168.1 | -68.2 | 175.5 | -132.5 | 0 | 0 | 109.5 | K368 | E283-K368 HydrophobicContact CB-CB 4.46Å; E283-K368 HydrophobicContact CB-CD 3.68Å; E283-K368 HydrophobicContact CB-CG 4.15Å; E283-K368 WeakPolarHBondContact O-CB 3.34Å; E283-K368 WeakPolarHBondContact O-CG 3.19Å; E283-K368 PolarHBondContact O-N 3.42Å; E283-K368 WeakPolarHBondContact OE2-CD 3.32Å; E283-K368 WeakPolarHBondContact OE2-CE 3.12Å; E283-K368 IonicContact OE2-NZ 2.62Å; E283-K368 PolarHBondContact OE2-NZ 3.16Å |
| 284 | K | 83.4 | Confident | 88.6 | Confident | 103 Ų | 103 | 50.9 Ų | 50.9 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 142.9 | 177.3 | -66 | 160.5 | -164.7 | 156.3 | 0 | 110.3 | E281 N282 A286 L365 A366 K368 | E281-K284 WeakPolarHBondContact OE1-CE 3.39Å; E281-K284 IonicContact OE1-NZ 2.61Å; E281-K284 PolarHBondContact OE1-NZ 3.44Å; N282-K284 PolarHBondContact O-N 3.18Å; K284-A286 PolarHBondContact O-N 3.04Å; K284-L365 HydrophobicContact CB-CB 4.09Å; K284-L365 HydrophobicContact CD-CB 4.43Å; K284-L365 HydrophobicContact CG-CB 4.43Å; K284-A366 CarbonylContact C-O 3.6Å; K284-A366 WeakPolarHBondContact CA-O 3.32Å; K284-K368 WeakPolarHBondContact O-CE 3.18Å |
| 285 | D | 87 | Confident | 88.3 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 99.4 | 172.7 | -176.9 | -2 | 0 | 0 | 0 | 108.1 | L287 N288 A366 K368 | D285-L287 PolarHBondContact O-N 3.03Å; D285-L287 PolarHBondContact OD1-N 3.02Å; D285-N288 HydrophobicContact CB-CB 3.91Å; D285-N288 VanDerWaalsContact CG-CB 3.48Å; D285-N288 PolarHBondContact O-N 2.97Å; D285-N288 VanDerWaalsContact OD2-CB 3.29Å; D285-N288 WeakPolarHBondContact OD2-CB 3.33Å; D285-A366 PolarHBondContact N-O 2.78Å; D285-K368 HydrophobicContact CB-CG 3.9Å |
| 286 | A | 89.5 | Confident | 87.9 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | -15.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K284 A337 A340 | K284-A286 PolarHBondContact O-N 3.04Å; A286-A337 HydrophobicContact CB-CB 3.87Å; A286-A337 WeakPolarHBondContact O-CA 3.38Å; A286-A340 VanDerWaalsContact O-CB 3.24Å; A286-A340 WeakPolarHBondContact O-CB 3.37Å |
| 287 | L | 92 | Very high | 87.3 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -6.7 | 176.4 | -61.6 | 177.3 | 0 | 0 | 0 | 113.5 | D285 R333 F334 T336 A337 | D285-L287 PolarHBondContact O-N 3.03Å; D285-L287 PolarHBondContact OD1-N 3.02Å; L287-R333 HydrophobicContact CB-CG 4.3Å; L287-R333 CarbonylContact O-C 3.5Å; L287-R333 VanDerWaalsContact O-CA 3.3Å; L287-R333 WeakPolarHBondContact O-CA 3.42Å; L287-R333 WeakPolarHBondContact O-CG 3.36Å; L287-F334 PolarHBondContact O-N 3.5Å; L287-T336 VanDerWaalsContact CD2-C 3.46Å; L287-A337 HydrophobicContact CD2-CB 4.38Å |
| 288 | N | 93.4 | Very high | 86.4 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 114.1 | -163.3 | -174.4 | 11.6 | 0 | 0 | 0 | 111.2 | D285 A366 | D285-N288 HydrophobicContact CB-CB 3.91Å; D285-N288 VanDerWaalsContact CG-CB 3.48Å; D285-N288 PolarHBondContact O-N 2.97Å; D285-N288 VanDerWaalsContact OD2-CB 3.29Å; D285-N288 WeakPolarHBondContact OD2-CB 3.33Å; N288-A366 HydrophobicContact CB-CB 4.17Å; N288-A366 VanDerWaalsContact O-CB 3.25Å; N288-A366 WeakPolarHBondContact O-CB 3.48Å; N288-A366 PolarHBondContact O-N 3.03Å |
| 289 | V | 93.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.1 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 110 | V291 F308 F331 V332 F334 A340 V344 C363 | V289-V291 HydrophobicContact CG1-CG2 4.05Å; V289-F308 HydrophobicContact CG1-CE1 4.13Å; V289-F331 CarbonylContact O-C 3.56Å; V289-F331 WeakPolarHBondContact O-CA 3.33Å; V289-V332 HydrophobicContact CB-CB 4.48Å; V289-V332 PolarHBondContact N-O 3.17Å; V289-V332 PolarHBondContact O-N 3.13Å; V289-F334 HydrophobicContact CB-CE2 4.47Å; V289-F334 HydrophobicContact CG2-CD2 3.95Å; V289-F334 HydrophobicContact CG2-CE2 3.79Å; V289-A340 HydrophobicContact CG2-CB 3.7Å; V289-A340 WeakPolarHBondContact CG2-O 3.37Å; V289-V344 HydrophobicContact CB-CG2 4.34Å; V289-V344 HydrophobicContact CG1-CG2 3.65Å; V289-V344 HydrophobicContact CG2-CG2 3.84Å; V289-C363 HydrophobicContact CG1-CB 3.99Å |
| 290 | Y | 92.7 | Very high | 85.7 | Confident | 62 Ų | 62 | 62.7 Ų | 62.7 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.2 | 169.8 | 175.5 | -121 | 0 | 0 | 0 | 109.8 | R292 I329 F331 C363 K364 | Y290-R292 HydrophobicContact CD1-CG 4.11Å; Y290-R292 VanDerWaalsContact CE1-CD 3.48Å; Y290-R292 HydrophobicContact CE1-CG 3.46Å; Y290-R292 VanDerWaalsContact CE1-CG 3.46Å; Y290-R292 HydrophobicContact CE2-CG 4.38Å; Y290-I329 HydrophobicContact CD2-CG2 4.11Å; Y290-I329 HydrophobicContact CE2-CG2 3.26Å; Y290-F331 HydrophobicContact CD2-CD1 4.04Å; Y290-F331 AromaticContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE1 3.48Å; Y290-F331 VanDerWaalsContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE2 4.18Å; Y290-F331 AromaticContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CE2-CE1 4.2Å; Y290-F331 HydrophobicContact CE2-CE2 4.32Å; Y290-F331 AromaticContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CG-CE1 4.27Å; Y290-C363 WeakPolarHBondContact O-CA 3.39Å; Y290-K364 PolarHBondContact N-O 2.62Å; Y290-K364 PolarHBondContact O-N 3.34Å |
| 291 | V | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.4 | -174.2 | -168.8 | 0 | 0 | 0 | 0 | 109 | V289 L294 L304 F308 I329 G330 V332 I361 | V289-V291 HydrophobicContact CG1-CG2 4.05Å; V291-L294 HydrophobicContact CB-CD1 4.24Å; V291-L294 HydrophobicContact CG1-CD1 3.92Å; V291-L294 HydrophobicContact CG1-CD2 3.82Å; V291-L294 HydrophobicContact CG1-CG 3.98Å; V291-L304 HydrophobicContact CG1-CD1 4.27Å; V291-F308 HydrophobicContact CB-CZ 4.3Å; V291-F308 HydrophobicContact CG1-CE2 4.1Å; V291-F308 HydrophobicContact CG1-CZ 3.82Å; V291-F308 HydrophobicContact CG2-CE1 3.88Å; V291-F308 HydrophobicContact CG2-CE2 3.99Å; V291-F308 HydrophobicContact CG2-CZ 3.41Å; V291-F308 VanDerWaalsContact CG2-CZ 3.41Å; V291-I329 CarbonylContact O-C 3.53Å; V291-I329 WeakPolarHBondContact O-CA 3.44Å; V291-G330 PolarHBondContact N-O 3.42Å; V291-G330 PolarHBondContact O-N 3.02Å; V291-V332 HydrophobicContact CG2-CG2 3.97Å; V291-I361 HydrophobicContact CG1-CG2 3.63Å |
| 292 | R | 89.4 | Confident | 86.4 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 163.6 | 176.3 | -61.5 | -177.3 | -66.8 | -169.8 | 10 | 111.3 | S232 Y290 T362 | S232-R292 PolarHBondContact OG-NH1 3.15Å; Y290-R292 HydrophobicContact CD1-CG 4.11Å; Y290-R292 VanDerWaalsContact CE1-CD 3.48Å; Y290-R292 HydrophobicContact CE1-CG 3.46Å; Y290-R292 VanDerWaalsContact CE1-CG 3.46Å; Y290-R292 HydrophobicContact CE2-CG 4.38Å; R292-T362 PolarHBondContact N-O 2.72Å; R292-T362 PolarHBondContact NE-OG1 2.91Å; R292-T362 PolarHBondContact NH2-OG1 3.19Å; R292-T362 PolarHBondContact O-N 3.01Å |
| 293 | N | 87.5 | Confident | 87 | Confident | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | 64.4 | 47.5 | 176.1 | -155.1 | 103.2 | 0 | 0 | 0 | 111.7 | G328 K359 P360 | N293-G328 PolarHBondContact N-O 3.35Å; N293-K359 VanDerWaalsContact CG-CB 3.49Å; N293-K359 WeakPolarHBondContact ND2-CB 3.48Å; N293-K359 PolarHBondContact ND2-O 3.34Å; N293-K359 VanDerWaalsContact OD1-CB 3.24Å; N293-K359 WeakPolarHBondContact OD1-CB 3.41Å; N293-K359 WeakPolarHBondContact OD1-CD 3.42Å; N293-P360 WeakPolarHBondContact CB-O 3.33Å | ||
| 294 | L | 88.3 | Confident | 87.5 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | -88.7 | 145.6 | 167 | -59.8 | 167.9 | 0 | 0 | 0 | 108.4 | V291 F299 L304 F326 G328 I361 | V291-L294 HydrophobicContact CB-CD1 4.24Å; V291-L294 HydrophobicContact CG1-CD1 3.92Å; V291-L294 HydrophobicContact CG1-CD2 3.82Å; V291-L294 HydrophobicContact CG1-CG 3.98Å; L294-F299 HydrophobicContact CB-CD1 4.04Å; L294-F299 HydrophobicContact CB-CE1 4.02Å; L294-F299 HydrophobicContact CD1-CD1 4.4Å; L294-F299 HydrophobicContact CD1-CE1 3.79Å; L294-F299 HydrophobicContact CD1-CZ 4.5Å; L294-F299 HydrophobicContact CD2-CE1 3.8Å; L294-F299 HydrophobicContact CD2-CE2 4.39Å; L294-F299 HydrophobicContact CD2-CZ 3.69Å; L294-F299 HydrophobicContact CG-CE1 4.07Å; L294-F299 HydrophobicContact CG-CZ 4.46Å; L294-L304 HydrophobicContact CD1-CD1 3.99Å; L294-L304 HydrophobicContact CD1-CD2 4.05Å; L294-L304 HydrophobicContact CD2-CD1 4.06Å; L294-F326 HydrophobicContact CB-CE1 3.79Å; L294-F326 HydrophobicContact CB-CZ 3.94Å; L294-F326 HydrophobicContact CD1-CZ 3.96Å; L294-G328 PolarHBondContact N-O 3.43Å; L294-G328 WeakPolarHBondContact O-CA 3.3Å; L294-I361 HydrophobicContact CD2-CD1 4.22Å; L294-I361 HydrophobicContact CD2-CG1 4.11Å | ||
| 295 | P | 84 | Confident | 87.9 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 5% | 0.045 | 29% | 0.287 | C | S | . | . | trans | -60.4 | 140.5 | 178.8 | 16.5 | -22.5 | 0 | 0 | 0 | 111.1 | E297 F299 F326 V354 G356 | P295-E297 VanDerWaalsContact C-N 3.34Å; P295-F299 HydrophobicContact CG-CB 4.02Å; P295-F299 HydrophobicContact CG-CD2 3.74Å; P295-F299 HydrophobicContact CG-CG 4.08Å; P295-F299 VanDerWaalsContact O-CB 3.25Å; P295-F299 WeakPolarHBondContact O-CB 3.41Å; P295-F326 VanDerWaalsContact O-CD1 3.29Å; P295-F326 WeakPolarHBondContact O-CD1 3.34Å; P295-F326 VanDerWaalsContact O-CE1 3.3Å; P295-F326 WeakPolarHBondContact O-CE1 3.24Å; P295-V354 HydrophobicContact CG-CB 3.92Å; P295-V354 HydrophobicContact CG-CG1 3.77Å; P295-G356 WeakPolarHBondContact CB-O 3.35Å | ||
| 296 | R | 81.8 | Confident | 88.1 | Confident | 191 Ų | 191 | 58 Ų | 58 | 72% | 0.721 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -77.5 | -22.1 | -176.6 | -69.5 | -175.2 | 177.8 | 172.8 | 2 | 113.4 | ||
| 297 | E | 79.2 | Confident | 88.2 | Confident | 173 Ų | 173 | 57.7 Ų | 57.7 | 81% | 0.808 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -115.7 | 146.9 | -177.5 | -60.9 | -177.2 | -173.6 | 0 | 0 | 109.5 | P295 F299 | P295-E297 VanDerWaalsContact C-N 3.34Å; E297-F299 PolarHBondContact O-N 2.96Å |
| 298 | G | 74.3 | Confident | 88.1 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 79% | 0.794 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 67.9 | -15.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 299 | F | 82.5 | Confident | 88.1 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | trans | -81.1 | 121.3 | -174.7 | -159 | -104 | 0 | 0 | 0 | 112.9 | L294 P295 E297 M303 L304 L307 L319 F326 V354 | L294-F299 HydrophobicContact CB-CD1 4.04Å; L294-F299 HydrophobicContact CB-CE1 4.02Å; L294-F299 HydrophobicContact CD1-CD1 4.4Å; L294-F299 HydrophobicContact CD1-CE1 3.79Å; L294-F299 HydrophobicContact CD1-CZ 4.5Å; L294-F299 HydrophobicContact CD2-CE1 3.8Å; L294-F299 HydrophobicContact CD2-CE2 4.39Å; L294-F299 HydrophobicContact CD2-CZ 3.69Å; L294-F299 HydrophobicContact CG-CE1 4.07Å; L294-F299 HydrophobicContact CG-CZ 4.46Å; P295-F299 HydrophobicContact CG-CB 4.02Å; P295-F299 HydrophobicContact CG-CD2 3.74Å; P295-F299 HydrophobicContact CG-CG 4.08Å; P295-F299 VanDerWaalsContact O-CB 3.25Å; P295-F299 WeakPolarHBondContact O-CB 3.41Å; E297-F299 PolarHBondContact O-N 2.96Å; F299-M303 HydrophobicContact CD2-CB 4.37Å; F299-M303 HydrophobicContact CD2-CG 4.1Å; F299-M303 HydrophobicContact CD2-SD 3.47Å; F299-M303 WeakPolarHBondContact CD2-SD 3.33Å; F299-M303 HydrophobicContact CE2-CB 4.07Å; F299-M303 HydrophobicContact CE2-CG 3.67Å; F299-M303 HydrophobicContact CE2-SD 3.57Å; F299-M303 VanDerWaalsContact CE2-SD 3.57Å; F299-M303 HydrophobicContact CZ-CB 4.42Å; F299-M303 HydrophobicContact CZ-CG 4.36Å; F299-L304 HydrophobicContact CE1-CB 3.71Å; F299-L304 HydrophobicContact CE1-CD1 4.1Å; F299-L304 HydrophobicContact CE1-CG 4.32Å; F299-L304 HydrophobicContact CZ-CB 3.88Å; F299-L304 HydrophobicContact CZ-CD1 4.01Å; F299-L307 HydrophobicContact CE2-CD1 3.86Å; F299-L307 HydrophobicContact CZ-CD1 3.99Å; F299-L319 HydrophobicContact CD1-CD2 4.49Å; F299-L319 HydrophobicContact CE1-CD2 4.35Å; F299-F326 HydrophobicContact CB-CE1 4.34Å; F299-F326 AromaticContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CZ 4.26Å; F299-F326 HydrophobicContact CG-CE1 4.5Å; F299-V354 HydrophobicContact CD2-CG1 4.2Å; F299-V354 HydrophobicContact CE2-CG1 4.13Å; F299-V354 HydrophobicContact CE2-CG2 4.43Å | ||
| 300 | S | 86.6 | Confident | 88 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -108.3 | 167 | -177.8 | 91 | 0 | 0 | 0 | 0 | 112.9 | E302 M303 L304 | S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 WeakPolarHBondContact CB-OE2 3.23Å; S300-E302 PolarHBondContact O-N 3.45Å; S300-E302 PolarHBondContact OG-N 2.82Å; S300-E302 PolarHBondContact OG-OE2 3.25Å; S300-M303 PolarHBondContact O-N 3.45Å; S300-M303 PolarHBondContact OG-N 2.85Å; S300-L304 PolarHBondContact O-N 2.67Å | ||
| 301 | K | 90.1 | Very high | 87.9 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.8 | 173.3 | -169.2 | 166 | -79.8 | 0 | 110.5 | M303 L304 E305 V317 L319 | K301-M303 VanDerWaalsContact C-N 3.34Å; K301-L304 WeakPolarHBondContact O-CB 3.47Å; K301-L304 PolarHBondContact O-N 2.99Å; K301-E305 WeakPolarHBondContact CE-OE2 3.34Å; K301-E305 IonicContact NZ-OE2 3.94Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å; K301-E305 PolarHBondContact O-N 2.98Å; K301-V317 WeakPolarHBondContact CE-O 3.43Å; K301-V317 HydrophobicContact CG-CB 3.98Å; K301-V317 HydrophobicContact CG-CG1 3.88Å; K301-L319 HydrophobicContact CB-CG 4.49Å |
| 302 | E | 90.3 | Very high | 87.9 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.542 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | -177.2 | -54.1 | 66.1 | -138.1 | 0 | 0 | 110.8 | S300 E305 S306 | S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 WeakPolarHBondContact CB-OE2 3.23Å; S300-E302 PolarHBondContact O-N 3.45Å; S300-E302 PolarHBondContact OG-N 2.82Å; S300-E302 PolarHBondContact OG-OE2 3.25Å; E302-E305 PolarHBondContact O-N 2.89Å; E302-S306 WeakPolarHBondContact O-CB 3.45Å; E302-S306 PolarHBondContact O-N 2.85Å |
| 303 | M | 88.9 | Confident | 88.1 | Confident | 84 Ų | 84 | 68.7 Ų | 68.7 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 172.7 | -167.5 | 178 | -66.9 | 0 | 0 | 111.7 | F299 S300 K301 L307 V354 | F299-M303 HydrophobicContact CD2-CB 4.37Å; F299-M303 HydrophobicContact CD2-CG 4.1Å; F299-M303 HydrophobicContact CD2-SD 3.47Å; F299-M303 WeakPolarHBondContact CD2-SD 3.33Å; F299-M303 HydrophobicContact CE2-CB 4.07Å; F299-M303 HydrophobicContact CE2-CG 3.67Å; F299-M303 HydrophobicContact CE2-SD 3.57Å; F299-M303 VanDerWaalsContact CE2-SD 3.57Å; F299-M303 HydrophobicContact CZ-CB 4.42Å; F299-M303 HydrophobicContact CZ-CG 4.36Å; S300-M303 PolarHBondContact O-N 3.45Å; S300-M303 PolarHBondContact OG-N 2.85Å; K301-M303 VanDerWaalsContact C-N 3.34Å; M303-L307 HydrophobicContact CG-CD1 4.32Å; M303-L307 WeakPolarHBondContact O-CB 3.23Å; M303-L307 VanDerWaalsContact O-CG 3.25Å; M303-L307 WeakPolarHBondContact O-CG 3.44Å; M303-L307 PolarHBondContact O-N 3.47Å; M303-V354 HydrophobicContact SD-CG1 4.41Å |
| 304 | L | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.2 | -40.1 | 173.1 | -170.8 | 57.5 | 0 | 0 | 0 | 112 | V291 L294 F299 S300 K301 L307 F308 V317 L319 V332 | V291-L304 HydrophobicContact CG1-CD1 4.27Å; L294-L304 HydrophobicContact CD1-CD1 3.99Å; L294-L304 HydrophobicContact CD1-CD2 4.05Å; L294-L304 HydrophobicContact CD2-CD1 4.06Å; F299-L304 HydrophobicContact CE1-CB 3.71Å; F299-L304 HydrophobicContact CE1-CD1 4.1Å; F299-L304 HydrophobicContact CE1-CG 4.32Å; F299-L304 HydrophobicContact CZ-CB 3.88Å; F299-L304 HydrophobicContact CZ-CD1 4.01Å; S300-L304 PolarHBondContact O-N 2.67Å; K301-L304 WeakPolarHBondContact O-CB 3.47Å; K301-L304 PolarHBondContact O-N 2.99Å; L304-L307 PolarHBondContact O-N 2.83Å; L304-F308 HydrophobicContact CD1-CD2 3.68Å; L304-F308 HydrophobicContact CD1-CE2 3.45Å; L304-F308 VanDerWaalsContact CD1-CE2 3.45Å; L304-F308 HydrophobicContact CD1-CZ 4.49Å; L304-F308 HydrophobicContact CG-CD2 4.39Å; L304-F308 WeakPolarHBondContact O-CD2 3.43Å; L304-F308 PolarHBondContact O-N 2.76Å; L304-V317 HydrophobicContact CB-CG1 3.97Å; L304-V317 HydrophobicContact CD2-CG1 3.65Å; L304-V317 HydrophobicContact CG-CG1 3.9Å; L304-L319 HydrophobicContact CB-CD2 4.32Å; L304-L319 HydrophobicContact CD2-CD2 3.46Å; L304-L319 VanDerWaalsContact CD2-CD2 3.46Å; L304-V332 HydrophobicContact CD1-CG2 4.26Å; L304-V332 HydrophobicContact CD2-CG2 3.91Å; L304-V332 HydrophobicContact CG-CG2 3.83Å |
| 305 | E | 92.9 | Very high | 88.6 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 29% | 0.29 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -51.8 | 177.8 | -156.3 | 156.2 | 135.6 | 0 | 0 | 110.7 | K301 E302 L307 F308 Q309 V314 V317 | K301-E305 WeakPolarHBondContact CE-OE2 3.34Å; K301-E305 IonicContact NZ-OE2 3.94Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å; K301-E305 PolarHBondContact O-N 2.98Å; E302-E305 PolarHBondContact O-N 2.89Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; E305-F308 PolarHBondContact O-N 2.8Å; E305-F308 VanDerWaalsContact O-N 3.1Å; E305-Q309 VanDerWaalsContact O-CB 3.3Å; E305-Q309 WeakPolarHBondContact O-CB 3.38Å; E305-Q309 PolarHBondContact O-N 2.8Å; E305-V314 HydrophobicContact CG-CG1 4.28Å; E305-V317 HydrophobicContact CB-CG2 3.84Å; E305-V317 HydrophobicContact CG-CG2 3.71Å; E305-V317 WeakPolarHBondContact OE2-CG2 3.41Å |
| 306 | S | 91.4 | Very high | 89 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.2 | -40.8 | 176 | -178.8 | 0 | 0 | 0 | 0 | 113.1 | E302 F308 | E302-S306 WeakPolarHBondContact O-CB 3.45Å; E302-S306 PolarHBondContact O-N 2.85Å; S306-F308 PolarHBondContact O-N 2.88Å |
| 307 | L | 89.8 | Confident | 89.5 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -21.2 | 177.9 | -79.8 | 170.8 | 0 | 0 | 0 | 114.1 | F299 M303 L304 E305 K310 M347 V354 | F299-L307 HydrophobicContact CE2-CD1 3.86Å; F299-L307 HydrophobicContact CZ-CD1 3.99Å; M303-L307 HydrophobicContact CG-CD1 4.32Å; M303-L307 WeakPolarHBondContact O-CB 3.23Å; M303-L307 VanDerWaalsContact O-CG 3.25Å; M303-L307 WeakPolarHBondContact O-CG 3.44Å; M303-L307 PolarHBondContact O-N 3.47Å; L304-L307 PolarHBondContact O-N 2.83Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; L307-K310 WeakPolarHBondContact O-CE 3.49Å; L307-M347 HydrophobicContact CB-CE 4.44Å; L307-V354 HydrophobicContact CD1-CG2 4.2Å |
| 308 | F | 91.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -109.5 | -22 | -178.7 | -79.8 | -102.8 | 0 | 0 | 0 | 113.9 | V289 V291 L304 E305 S306 K310 F311 V314 V332 F334 A343 M347 C363 | V289-F308 HydrophobicContact CG1-CE1 4.13Å; V291-F308 HydrophobicContact CB-CZ 4.3Å; V291-F308 HydrophobicContact CG1-CE2 4.1Å; V291-F308 HydrophobicContact CG1-CZ 3.82Å; V291-F308 HydrophobicContact CG2-CE1 3.88Å; V291-F308 HydrophobicContact CG2-CE2 3.99Å; V291-F308 HydrophobicContact CG2-CZ 3.41Å; V291-F308 VanDerWaalsContact CG2-CZ 3.41Å; L304-F308 HydrophobicContact CD1-CD2 3.68Å; L304-F308 HydrophobicContact CD1-CE2 3.45Å; L304-F308 VanDerWaalsContact CD1-CE2 3.45Å; L304-F308 HydrophobicContact CD1-CZ 4.49Å; L304-F308 HydrophobicContact CG-CD2 4.39Å; L304-F308 WeakPolarHBondContact O-CD2 3.43Å; L304-F308 PolarHBondContact O-N 2.76Å; E305-F308 PolarHBondContact O-N 2.8Å; E305-F308 VanDerWaalsContact O-N 3.1Å; S306-F308 PolarHBondContact O-N 2.88Å; F308-K310 PolarHBondContact O-N 3.43Å; F308-K310 VanDerWaalsContact O-N 3.12Å; F308-F311 HydrophobicContact CD1-CD2 4.38Å; F308-F311 WeakPolarHBondContact O-CD2 3.3Å; F308-F311 PolarHBondContact O-N 3.35Å; F308-V314 HydrophobicContact CB-CG2 4.15Å; F308-V332 HydrophobicContact CB-CG1 3.82Å; F308-V332 HydrophobicContact CB-CG2 4.49Å; F308-V332 HydrophobicContact CD1-CB 4.33Å; F308-V332 HydrophobicContact CD1-CG1 4.12Å; F308-V332 HydrophobicContact CD1-CG2 4.28Å; F308-V332 HydrophobicContact CD2-CG2 4.19Å; F308-V332 HydrophobicContact CG-CB 4.43Å; F308-V332 HydrophobicContact CG-CG1 4.05Å; F308-V332 HydrophobicContact CG-CG2 4.04Å; F308-F334 HydrophobicContact CB-CZ 3.99Å; F308-F334 HydrophobicContact CD1-CE2 4.12Å; F308-F334 AromaticContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CG-CZ 4.49Å; F308-A343 HydrophobicContact CD1-CB 4.18Å; F308-A343 HydrophobicContact CE1-CB 4.49Å; F308-M347 HydrophobicContact CD2-CE 3.96Å; F308-M347 HydrophobicContact CE1-CE 4.21Å; F308-M347 HydrophobicContact CE2-CE 3.46Å; F308-M347 VanDerWaalsContact CE2-CE 3.46Å; F308-M347 HydrophobicContact CZ-CE 3.6Å; F308-M347 HydrophobicContact CZ-CG 4.39Å; F308-C363 VanDerWaalsContact CZ-SG 3.52Å |
| 309 | Q | 91.8 | Very high | 90.9 | Very high | 127 Ų | 127 | 60.7 Ų | 60.7 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.2 | -24.7 | 177.1 | -171.5 | 173.1 | 14.4 | 0 | 0 | 113.4 | E305 F311 G312 | E305-Q309 VanDerWaalsContact O-CB 3.3Å; E305-Q309 WeakPolarHBondContact O-CB 3.38Å; E305-Q309 PolarHBondContact O-N 2.8Å; Q309-F311 PolarHBondContact O-N 2.82Å; Q309-G312 PolarHBondContact O-N 3.4Å |
| 310 | K | 91.6 | Very high | 91.1 | Very high | 127 Ų | 127 | 63.2 Ų | 63.2 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -15.6 | 173.2 | 58.2 | 171.8 | 170.5 | 171.1 | 0 | 115.1 | L307 F308 | L307-K310 WeakPolarHBondContact O-CE 3.49Å; F308-K310 PolarHBondContact O-N 3.43Å; F308-K310 VanDerWaalsContact O-N 3.12Å |
| 311 | F | 91.4 | Very high | 91.1 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -18.9 | 178.7 | -52.1 | -69.2 | 0 | 0 | 0 | 113.5 | F308 Q309 F334 A343 Q346 M347 | F308-F311 HydrophobicContact CD1-CD2 4.38Å; F308-F311 WeakPolarHBondContact O-CD2 3.3Å; F308-F311 PolarHBondContact O-N 3.35Å; Q309-F311 PolarHBondContact O-N 2.82Å; F311-F334 HydrophobicContact CB-CE1 4.45Å; F311-F334 HydrophobicContact CB-CZ 4.43Å; F311-A343 HydrophobicContact CB-CB 3.69Å; F311-A343 HydrophobicContact CD2-CB 3.69Å; F311-A343 HydrophobicContact CE2-CB 4.49Å; F311-A343 HydrophobicContact CG-CB 3.79Å; F311-Q346 HydrophobicContact CD1-CB 4.26Å; F311-Q346 HydrophobicContact CE1-CB 3.63Å; F311-Q346 HydrophobicContact CZ-CB 4.37Å; F311-M347 HydrophobicContact CE2-CE 3.78Å; F311-M347 HydrophobicContact CZ-CB 4.42Å; F311-M347 HydrophobicContact CZ-CE 4.28Å; F311-M347 HydrophobicContact CZ-SD 4.47Å |
| 312 | G | 91.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 169.9 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q309 V314 | Q309-G312 PolarHBondContact O-N 3.4Å; G312-V314 PolarHBondContact O-N 2.98Å |
| 313 | H | 93.7 | Very high | 89.9 | Confident | 127 Ų | 127 | 68.4 Ų | 68.4 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | trans | -80.1 | 110.6 | -179.8 | -175.4 | 76.5 | 0 | 0 | 0 | 110.7 | T315 F334 A335 | H313-T315 PolarHBondContact O-N 2.9Å; H313-F334 WeakPolarHBondContact O-CA 3.24Å; H313-A335 HydrophobicContact CB-CB 4.27Å; H313-A335 PolarHBondContact O-N 2.78Å | ||
| 314 | V | 94.2 | Very high | 89.1 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.1 | -179.9 | 178.8 | 0 | 0 | 0 | 0 | 110 | E305 F308 G312 V317 V332 R333 F334 | E305-V314 HydrophobicContact CG-CG1 4.28Å; F308-V314 HydrophobicContact CB-CG2 4.15Å; G312-V314 PolarHBondContact O-N 2.98Å; V314-V317 HydrophobicContact CG1-CG2 3.39Å; V314-V332 HydrophobicContact CB-CG1 4.47Å; V314-V332 HydrophobicContact CG1-CG1 3.73Å; V314-V332 HydrophobicContact CG2-CG1 3.89Å; V314-R333 CarbonylContact C-O 3.58Å; V314-F334 HydrophobicContact CG2-CD1 4.13Å; V314-F334 HydrophobicContact CG2-CE1 3.71Å; V314-F334 HydrophobicContact CG2-CZ 4.14Å |
| 315 | T | 93.3 | Very high | 88.4 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -27.6 | 178.7 | -45.7 | 0 | 0 | 0 | 0 | 112.8 | H313 R333 A335 | H313-T315 PolarHBondContact O-N 2.9Å; T315-R333 PolarHBondContact N-O 3.17Å; T315-A335 PolarHBondContact OG1-N 3.38Å |
| 316 | S | 91.4 | Very high | 87.8 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 49% | 0.49 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 137 | 179.2 | -160.6 | 0 | 0 | 0 | 0 | 112.5 | R333 | S316-R333 PolarHBondContact N-O 3.41Å; S316-R333 PolarHBondContact O-N 3.23Å |
| 317 | V | 93.2 | Very high | 87.3 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.4 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | K301 L304 E305 V314 F331 V332 | K301-V317 WeakPolarHBondContact CE-O 3.43Å; K301-V317 HydrophobicContact CG-CB 3.98Å; K301-V317 HydrophobicContact CG-CG1 3.88Å; L304-V317 HydrophobicContact CB-CG1 3.97Å; L304-V317 HydrophobicContact CD2-CG1 3.65Å; L304-V317 HydrophobicContact CG-CG1 3.9Å; E305-V317 HydrophobicContact CB-CG2 3.84Å; E305-V317 HydrophobicContact CG-CG2 3.71Å; E305-V317 WeakPolarHBondContact OE2-CG2 3.41Å; V314-V317 HydrophobicContact CG1-CG2 3.39Å; V317-F331 WeakPolarHBondContact CA-O 3.33Å; V317-V332 HydrophobicContact CG1-CG2 4.45Å; V317-V332 HydrophobicContact CG2-CG1 4.5Å; V317-V332 HydrophobicContact CG2-CG2 4.49Å |
| 318 | K | 91.6 | Very high | 87.1 | Confident | 140 Ų | 140 | 67.2 Ų | 67.2 | 61% | 0.609 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 117.7 | 175.5 | -179.9 | 170.1 | -178.3 | 172.2 | 0 | 111.7 | G330 F331 | K318-G330 CarbonylContact O-C 3.43Å; K318-G330 WeakPolarHBondContact O-CA 3.22Å; K318-F331 PolarHBondContact N-O 3.03Å; K318-F331 PolarHBondContact O-N 3.08Å |
| 319 | L | 90.9 | Very high | 87 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 146.3 | 166.7 | -62.8 | -169 | 0 | 0 | 0 | 110.7 | F299 K301 L304 F326 | F299-L319 HydrophobicContact CD1-CD2 4.49Å; F299-L319 HydrophobicContact CE1-CD2 4.35Å; K301-L319 HydrophobicContact CB-CG 4.49Å; L304-L319 HydrophobicContact CB-CD2 4.32Å; L304-L319 HydrophobicContact CD2-CD2 3.46Å; L304-L319 VanDerWaalsContact CD2-CD2 3.46Å; L319-F326 HydrophobicContact CB-CD2 3.95Å; L319-F326 HydrophobicContact CB-CE2 3.61Å; L319-F326 HydrophobicContact CB-CZ 4.5Å; L319-F326 HydrophobicContact CD1-CD2 4.27Å; L319-F326 HydrophobicContact CD1-CE2 4.06Å; L319-F326 HydrophobicContact CD1-CZ 4.35Å; L319-F326 HydrophobicContact CD2-CE2 3.79Å; L319-F326 HydrophobicContact CD2-CZ 3.84Å; L319-F326 HydrophobicContact CG-CE2 4.01Å; L319-F326 HydrophobicContact CG-CZ 4.45Å |
| 320 | L | 87.3 | Confident | 87 | Confident | 72 Ų | 72 | 63 Ų | 63 | 38% | 0.377 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112 | 173.1 | -177.1 | 64.2 | 0 | 0 | 0 | 109.9 | F326 T327 I329 | L320-F326 VanDerWaalsContact O-CD2 3.31Å; L320-F326 WeakPolarHBondContact O-CD2 3.41Å; L320-T327 HydrophobicContact CG-CG2 4.36Å; L320-T327 WeakPolarHBondContact O-CB 3.29Å; L320-T327 WeakPolarHBondContact O-CG2 3.38Å; L320-T327 PolarHBondContact O-N 3.08Å; L320-T327 PolarHBondContact O-OG1 3.1Å; L320-I329 HydrophobicContact CB-CB 4.33Å; L320-I329 HydrophobicContact CB-CG2 4.43Å; L320-I329 WeakPolarHBondContact CB-O 3.37Å; L320-I329 HydrophobicContact CD2-CB 4.41Å; L320-I329 HydrophobicContact CD2-CG2 4.23Å; L320-I329 PolarHBondContact N-O 3.47Å |
| 321 | E | 85.3 | Confident | 87.1 | Confident | 139 Ų | 139 | 60.1 Ų | 60.1 | 65% | 0.65 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151.1 | 179.4 | -68.8 | 166.2 | -140.8 | 0 | 0 | 111.3 | F326 | E321-F326 HydrophobicContact CG-CD2 4.48Å |
| 322 | T | 78.3 | Confident | 87.2 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 169.5 | 173.7 | -72 | 0 | 0 | 0 | 0 | 108.5 | T324 G325 T327 | T322-T324 PolarHBondContact O-N 3.27Å; T322-G325 PolarHBondContact N-O 2.9Å; T322-G325 PolarHBondContact O-N 3.14Å; T322-T327 WeakPolarHBondContact OG1-CG2 3.42Å |
| 323 | V | 76.6 | Confident | 87.4 | Confident | 134 Ų | 134 | 63.6 Ų | 63.6 | 81% | 0.812 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19.1 | 179.4 | -62.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 324 | T | 73.8 | Confident | 87.5 | Confident | 132 Ų | 132 | 57.6 Ų | 57.6 | 81% | 0.81 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.1 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | T322 | T322-T324 PolarHBondContact O-N 3.27Š|
| 325 | G | 75.6 | Confident | 87.4 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.3 | -163.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T322 | T322-G325 PolarHBondContact N-O 2.9Å; T322-G325 PolarHBondContact O-N 3.14Å |
| 326 | F | 80.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 12% | 0.118 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.6 | -177.6 | 177.8 | -127.9 | 0 | 0 | 0 | 112.1 | L294 P295 F299 L319 L320 E321 G328 I329 | L294-F326 HydrophobicContact CB-CE1 3.79Å; L294-F326 HydrophobicContact CB-CZ 3.94Å; L294-F326 HydrophobicContact CD1-CZ 3.96Å; P295-F326 VanDerWaalsContact O-CD1 3.29Å; P295-F326 WeakPolarHBondContact O-CD1 3.34Å; P295-F326 VanDerWaalsContact O-CE1 3.3Å; P295-F326 WeakPolarHBondContact O-CE1 3.24Å; F299-F326 HydrophobicContact CB-CE1 4.34Å; F299-F326 AromaticContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CZ 4.26Å; F299-F326 HydrophobicContact CG-CE1 4.5Å; L319-F326 HydrophobicContact CB-CD2 3.95Å; L319-F326 HydrophobicContact CB-CE2 3.61Å; L319-F326 HydrophobicContact CB-CZ 4.5Å; L319-F326 HydrophobicContact CD1-CD2 4.27Å; L319-F326 HydrophobicContact CD1-CE2 4.06Å; L319-F326 HydrophobicContact CD1-CZ 4.35Å; L319-F326 HydrophobicContact CD2-CE2 3.79Å; L319-F326 HydrophobicContact CD2-CZ 3.84Å; L319-F326 HydrophobicContact CG-CE2 4.01Å; L319-F326 HydrophobicContact CG-CZ 4.45Å; L320-F326 VanDerWaalsContact O-CD2 3.31Å; L320-F326 WeakPolarHBondContact O-CD2 3.41Å; E321-F326 HydrophobicContact CG-CD2 4.48Å; F326-G328 PolarHBondContact O-N 3.34Å; F326-I329 WeakPolarHBondContact CE2-O 3.25Å |
| 327 | T | 81 | Confident | 87.5 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -8.5 | -173.9 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | L320 T322 | L320-T327 HydrophobicContact CG-CG2 4.36Å; L320-T327 WeakPolarHBondContact O-CB 3.29Å; L320-T327 WeakPolarHBondContact O-CG2 3.38Å; L320-T327 PolarHBondContact O-N 3.08Å; L320-T327 PolarHBondContact O-OG1 3.1Å; T322-T327 WeakPolarHBondContact OG1-CG2 3.42Å |
| 328 | G | 85 | Confident | 87.6 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.3 | 23.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N293 L294 F326 | N293-G328 PolarHBondContact N-O 3.35Å; L294-G328 PolarHBondContact N-O 3.43Å; L294-G328 WeakPolarHBondContact O-CA 3.3Å; F326-G328 PolarHBondContact O-N 3.34Å |
| 329 | I | 89.5 | Confident | 87.7 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.8 | -172.4 | -59.6 | 175.3 | 0 | 0 | 0 | 109.8 | Y290 V291 L320 F326 | Y290-I329 HydrophobicContact CD2-CG2 4.11Å; Y290-I329 HydrophobicContact CE2-CG2 3.26Å; V291-I329 CarbonylContact O-C 3.53Å; V291-I329 WeakPolarHBondContact O-CA 3.44Å; L320-I329 HydrophobicContact CB-CB 4.33Å; L320-I329 HydrophobicContact CB-CG2 4.43Å; L320-I329 WeakPolarHBondContact CB-O 3.37Å; L320-I329 HydrophobicContact CD2-CB 4.41Å; L320-I329 HydrophobicContact CD2-CG2 4.23Å; L320-I329 PolarHBondContact N-O 3.47Å; F326-I329 WeakPolarHBondContact CE2-O 3.25Å |
| 330 | G | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V291 K318 | V291-G330 PolarHBondContact N-O 3.42Å; V291-G330 PolarHBondContact O-N 3.02Å; K318-G330 CarbonylContact O-C 3.43Å; K318-G330 WeakPolarHBondContact O-CA 3.22Å |
| 331 | F | 93.9 | Very high | 88.1 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.3 | 172.7 | -65.4 | -94.5 | 0 | 0 | 0 | 109 | V289 Y290 V317 K318 A366 | V289-F331 CarbonylContact O-C 3.56Å; V289-F331 WeakPolarHBondContact O-CA 3.33Å; Y290-F331 HydrophobicContact CD2-CD1 4.04Å; Y290-F331 AromaticContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE1 3.48Å; Y290-F331 VanDerWaalsContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE2 4.18Å; Y290-F331 AromaticContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CE2-CE1 4.2Å; Y290-F331 HydrophobicContact CE2-CE2 4.32Å; Y290-F331 AromaticContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CG-CE1 4.27Å; V317-F331 WeakPolarHBondContact CA-O 3.33Å; K318-F331 PolarHBondContact N-O 3.03Å; K318-F331 PolarHBondContact O-N 3.08Å; F331-A366 HydrophobicContact CD1-CB 4.1Å; F331-A366 HydrophobicContact CE1-CB 4.12Å |
| 332 | V | 94 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 111.9 | -179.2 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | V289 V291 L304 F308 V314 V317 F334 | V289-V332 HydrophobicContact CB-CB 4.48Å; V289-V332 PolarHBondContact N-O 3.17Å; V289-V332 PolarHBondContact O-N 3.13Å; V291-V332 HydrophobicContact CG2-CG2 3.97Å; L304-V332 HydrophobicContact CD1-CG2 4.26Å; L304-V332 HydrophobicContact CD2-CG2 3.91Å; L304-V332 HydrophobicContact CG-CG2 3.83Å; F308-V332 HydrophobicContact CB-CG1 3.82Å; F308-V332 HydrophobicContact CB-CG2 4.49Å; F308-V332 HydrophobicContact CD1-CB 4.33Å; F308-V332 HydrophobicContact CD1-CG1 4.12Å; F308-V332 HydrophobicContact CD1-CG2 4.28Å; F308-V332 HydrophobicContact CD2-CG2 4.19Å; F308-V332 HydrophobicContact CG-CB 4.43Å; F308-V332 HydrophobicContact CG-CG1 4.05Å; F308-V332 HydrophobicContact CG-CG2 4.04Å; V314-V332 HydrophobicContact CB-CG1 4.47Å; V314-V332 HydrophobicContact CG1-CG1 3.73Å; V314-V332 HydrophobicContact CG2-CG1 3.89Å; V317-V332 HydrophobicContact CG1-CG2 4.45Å; V317-V332 HydrophobicContact CG2-CG1 4.5Å; V317-V332 HydrophobicContact CG2-CG2 4.49Å; V332-F334 HydrophobicContact CG1-CD2 4.27Å; V332-F334 HydrophobicContact CG1-CE2 3.76Å; V332-F334 HydrophobicContact CG1-CZ 4.08Å |
| 333 | R | 94.1 | Very high | 89.2 | Confident | 114 Ų | 114 | 53 Ų | 53 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126 | 176.7 | -167.3 | -178.7 | -174.8 | -162.3 | -2.2 | 110.3 | L287 V314 T315 S316 | L287-R333 HydrophobicContact CB-CG 4.3Å; L287-R333 CarbonylContact O-C 3.5Å; L287-R333 VanDerWaalsContact O-CA 3.3Å; L287-R333 WeakPolarHBondContact O-CA 3.42Å; L287-R333 WeakPolarHBondContact O-CG 3.36Å; V314-R333 CarbonylContact C-O 3.58Å; T315-R333 PolarHBondContact N-O 3.17Å; S316-R333 PolarHBondContact N-O 3.41Å; S316-R333 PolarHBondContact O-N 3.23Å |
| 334 | F | 95.4 | Very high | 90 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 164.2 | 174.6 | -72.6 | -87 | 0 | 0 | 0 | 112.1 | L287 V289 F308 F311 H313 V314 V332 Q339 A340 A343 | L287-F334 PolarHBondContact O-N 3.5Å; V289-F334 HydrophobicContact CB-CE2 4.47Å; V289-F334 HydrophobicContact CG2-CD2 3.95Å; V289-F334 HydrophobicContact CG2-CE2 3.79Å; F308-F334 HydrophobicContact CB-CZ 3.99Å; F308-F334 HydrophobicContact CD1-CE2 4.12Å; F308-F334 AromaticContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CG-CZ 4.49Å; F311-F334 HydrophobicContact CB-CE1 4.45Å; F311-F334 HydrophobicContact CB-CZ 4.43Å; H313-F334 WeakPolarHBondContact O-CA 3.24Å; V314-F334 HydrophobicContact CG2-CD1 4.13Å; V314-F334 HydrophobicContact CG2-CE1 3.71Å; V314-F334 HydrophobicContact CG2-CZ 4.14Å; V332-F334 HydrophobicContact CG1-CD2 4.27Å; V332-F334 HydrophobicContact CG1-CE2 3.76Å; V332-F334 HydrophobicContact CG1-CZ 4.08Å; F334-Q339 HydrophobicContact CB-CB 4.08Å; F334-Q339 HydrophobicContact CD1-CB 3.8Å; F334-Q339 HydrophobicContact CE1-CB 4.48Å; F334-Q339 HydrophobicContact CG-CB 4.07Å; F334-A340 HydrophobicContact CB-CB 4.28Å; F334-A340 HydrophobicContact CD2-CB 3.81Å; F334-A340 HydrophobicContact CG-CB 4.34Å; F334-A343 HydrophobicContact CE2-CB 3.68Å; F334-A343 HydrophobicContact CZ-CB 3.56Å |
| 335 | A | 93.7 | Very high | 90.8 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -70.6 | -35.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H313 T315 | H313-A335 HydrophobicContact CB-CB 4.27Å; H313-A335 PolarHBondContact O-N 2.78Å; T315-A335 PolarHBondContact OG1-N 3.38Å |
| 336 | T | 93.6 | Very high | 91.5 | Very high | 57 Ų | 57 | 49.1 Ų | 49.1 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -127.2 | 158.5 | -180 | 73 | 0 | 0 | 0 | 0 | 111.9 | L287 Q339 A340 | L287-T336 VanDerWaalsContact CD2-C 3.46Å; T336-Q339 VanDerWaalsContact OG1-CG 3.26Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.31Å; T336-Q339 PolarHBondContact OG1-N 3.49Å; T336-A340 PolarHBondContact O-N 2.79Å |
| 337 | A | 93.4 | Very high | 92 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.2 | -42.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A286 L287 Q339 A340 E341 | A286-A337 HydrophobicContact CB-CB 3.87Å; A286-A337 WeakPolarHBondContact O-CA 3.38Å; L287-A337 HydrophobicContact CD2-CB 4.38Å; A337-Q339 VanDerWaalsContact C-N 3.26Å; A337-Q339 PolarHBondContact O-N 3.36Å; A337-A340 WeakPolarHBondContact O-CA 3.34Å; A337-A340 WeakPolarHBondContact O-CB 3.11Å; A337-A340 PolarHBondContact O-N 2.87Å; A337-E341 PolarHBondContact O-N 3.33Å |
| 338 | E | 94.1 | Very high | 92.3 | Very high | 141 Ų | 141 | 49 Ų | 49 | 66% | 0.659 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -52.5 | -42.5 | 175.2 | -172.3 | -164 | 161 | 0 | 0 | 112.3 | E341 K342 | E338-E341 PolarHBondContact O-N 3.33Å; E338-K342 WeakPolarHBondContact O-CB 3.4Å; E338-K342 PolarHBondContact O-N 3.22Å |
| 339 | Q | 93.7 | Very high | 92.3 | Very high | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 176.5 | -72.7 | 172 | 11.5 | 0 | 0 | 112.4 | F334 T336 A337 A343 | F334-Q339 HydrophobicContact CB-CB 4.08Å; F334-Q339 HydrophobicContact CD1-CB 3.8Å; F334-Q339 HydrophobicContact CE1-CB 4.48Å; F334-Q339 HydrophobicContact CG-CB 4.07Å; T336-Q339 VanDerWaalsContact OG1-CG 3.26Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.31Å; T336-Q339 PolarHBondContact OG1-N 3.49Å; A337-Q339 VanDerWaalsContact C-N 3.26Å; A337-Q339 PolarHBondContact O-N 3.36Å; Q339-A343 WeakPolarHBondContact O-CB 3.48Å; Q339-A343 PolarHBondContact O-N 2.86Å |
| 340 | A | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A286 V289 F334 T336 A337 A343 V344 L365 | A286-A340 VanDerWaalsContact O-CB 3.24Å; A286-A340 WeakPolarHBondContact O-CB 3.37Å; V289-A340 HydrophobicContact CG2-CB 3.7Å; V289-A340 WeakPolarHBondContact CG2-O 3.37Å; F334-A340 HydrophobicContact CB-CB 4.28Å; F334-A340 HydrophobicContact CD2-CB 3.81Å; F334-A340 HydrophobicContact CG-CB 4.34Å; T336-A340 PolarHBondContact O-N 2.79Å; A337-A340 WeakPolarHBondContact O-CA 3.34Å; A337-A340 WeakPolarHBondContact O-CB 3.11Å; A337-A340 PolarHBondContact O-N 2.87Å; A340-A343 PolarHBondContact O-N 3.37Å; A340-V344 VanDerWaalsContact O-CG2 3.3Å; A340-V344 WeakPolarHBondContact O-CG2 3.48Å; A340-V344 PolarHBondContact O-N 2.83Å; A340-L365 HydrophobicContact CB-CD2 4.21Å |
| 341 | E | 93.4 | Very high | 91.2 | Very high | 103 Ų | 103 | 63.4 Ų | 63.4 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 177.8 | -70.1 | -179.3 | 160.7 | 0 | 0 | 111.1 | A337 E338 A343 V344 E345 L365 | A337-E341 PolarHBondContact O-N 3.33Å; E338-E341 PolarHBondContact O-N 3.33Å; E341-A343 VanDerWaalsContact C-N 3.3Å; E341-A343 PolarHBondContact O-N 2.81Å; E341-V344 WeakPolarHBondContact O-CA 3.49Å; E341-V344 WeakPolarHBondContact O-CB 3.39Å; E341-V344 PolarHBondContact O-N 2.89Å; E341-E345 PolarHBondContact O-N 2.93Å; E341-L365 HydrophobicContact CG-CD1 4.26Å; E341-L365 HydrophobicContact CG-CD2 4.3Å |
| 342 | K | 93.4 | Very high | 90.4 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 41% | 0.409 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.7 | -38.1 | 173 | -172.2 | 173.3 | -173.5 | 169.7 | 0 | 112.9 | E338 Q346 | E338-K342 WeakPolarHBondContact O-CB 3.4Å; E338-K342 PolarHBondContact O-N 3.22Å; K342-Q346 HydrophobicContact CG-CG 4.45Å; K342-Q346 WeakPolarHBondContact O-CB 3.39Å; K342-Q346 WeakPolarHBondContact O-CG 3.37Å; K342-Q346 PolarHBondContact O-N 2.94Å |
| 343 | A | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.4 | -30.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F308 F311 F334 Q339 A340 E341 M347 | F308-A343 HydrophobicContact CD1-CB 4.18Å; F308-A343 HydrophobicContact CE1-CB 4.49Å; F311-A343 HydrophobicContact CB-CB 3.69Å; F311-A343 HydrophobicContact CD2-CB 3.69Å; F311-A343 HydrophobicContact CE2-CB 4.49Å; F311-A343 HydrophobicContact CG-CB 3.79Å; F334-A343 HydrophobicContact CE2-CB 3.68Å; F334-A343 HydrophobicContact CZ-CB 3.56Å; Q339-A343 WeakPolarHBondContact O-CB 3.48Å; Q339-A343 PolarHBondContact O-N 2.86Å; A340-A343 PolarHBondContact O-N 3.37Å; E341-A343 VanDerWaalsContact C-N 3.3Å; E341-A343 PolarHBondContact O-N 2.81Å; A343-M347 WeakPolarHBondContact O-CB 3.17Å; A343-M347 PolarHBondContact O-N 3.5Å |
| 344 | V | 92.7 | Very high | 88.7 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.3 | -46.4 | 174.3 | 165.5 | 0 | 0 | 0 | 0 | 110.7 | V289 A340 E341 N348 C363 L365 | V289-V344 HydrophobicContact CB-CG2 4.34Å; V289-V344 HydrophobicContact CG1-CG2 3.65Å; V289-V344 HydrophobicContact CG2-CG2 3.84Å; A340-V344 VanDerWaalsContact O-CG2 3.3Å; A340-V344 WeakPolarHBondContact O-CG2 3.48Å; A340-V344 PolarHBondContact O-N 2.83Å; E341-V344 WeakPolarHBondContact O-CA 3.49Å; E341-V344 WeakPolarHBondContact O-CB 3.39Å; E341-V344 PolarHBondContact O-N 2.89Å; V344-N348 WeakPolarHBondContact O-CB 3.37Å; V344-N348 VanDerWaalsContact O-CG 3.22Å; V344-N348 PolarHBondContact O-N 2.89Å; V344-N348 PolarHBondContact O-ND2 2.99Å; V344-C363 HydrophobicContact CB-CB 4.34Å; V344-C363 HydrophobicContact CG1-CB 4.46Å; V344-C363 HydrophobicContact CG2-CB 4.08Å; V344-L365 HydrophobicContact CG2-CD2 4.29Å |
| 345 | E | 91.8 | Very high | 87.4 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -66.3 | 178.3 | -175.2 | 171.6 | -114.8 | 0 | 0 | 110.7 | E341 M347 N348 E349 | E341-E345 PolarHBondContact O-N 2.93Å; E345-M347 VanDerWaalsContact C-N 3.31Å; E345-M347 PolarHBondContact O-N 2.76Å; E345-N348 PolarHBondContact O-N 2.79Å; E345-E349 WeakPolarHBondContact O-CG 3.33Å; E345-E349 PolarHBondContact O-N 3.05Å |
| 346 | Q | 90.4 | Very high | 86.3 | Confident | 77 Ų | 77 | 76.5 Ų | 76.5 | 36% | 0.36 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.6 | -31.6 | -171.1 | -63.9 | -173.1 | -4.9 | 0 | 0 | 113.7 | F311 K342 A350 | F311-Q346 HydrophobicContact CD1-CB 4.26Å; F311-Q346 HydrophobicContact CE1-CB 3.63Å; F311-Q346 HydrophobicContact CZ-CB 4.37Å; K342-Q346 HydrophobicContact CG-CG 4.45Å; K342-Q346 WeakPolarHBondContact O-CB 3.39Å; K342-Q346 WeakPolarHBondContact O-CG 3.37Å; K342-Q346 PolarHBondContact O-N 2.94Å; Q346-A350 WeakPolarHBondContact O-CB 3.27Å; Q346-A350 PolarHBondContact O-N 2.81Å |
| 347 | M | 90 | Very high | 85.2 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -74.3 | -34.6 | 176.8 | -166.8 | 72.3 | 93.3 | 0 | 0 | 112.4 | L307 F308 F311 A343 E345 K351 H352 I361 | L307-M347 HydrophobicContact CB-CE 4.44Å; F308-M347 HydrophobicContact CD2-CE 3.96Å; F308-M347 HydrophobicContact CE1-CE 4.21Å; F308-M347 HydrophobicContact CE2-CE 3.46Å; F308-M347 VanDerWaalsContact CE2-CE 3.46Å; F308-M347 HydrophobicContact CZ-CE 3.6Å; F308-M347 HydrophobicContact CZ-CG 4.39Å; F311-M347 HydrophobicContact CE2-CE 3.78Å; F311-M347 HydrophobicContact CZ-CB 4.42Å; F311-M347 HydrophobicContact CZ-CE 4.28Å; F311-M347 HydrophobicContact CZ-SD 4.47Å; A343-M347 WeakPolarHBondContact O-CB 3.17Å; A343-M347 PolarHBondContact O-N 3.5Å; E345-M347 VanDerWaalsContact C-N 3.31Å; E345-M347 PolarHBondContact O-N 2.76Å; M347-K351 PolarHBondContact O-N 3.38Å; M347-H352 HydrophobicContact SD-CB 3.93Å; M347-I361 HydrophobicContact CE-CD1 4.22Å; M347-I361 HydrophobicContact CG-CB 4.26Å; M347-I361 HydrophobicContact CG-CG2 3.84Å; M347-I361 HydrophobicContact SD-CD1 4.04Å |
| 348 | N | 88.5 | Confident | 84.3 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.5 | -40.9 | 174.9 | -77.4 | -37.3 | 0 | 0 | 0 | 111.5 | V344 E345 K351 T362 C363 | V344-N348 WeakPolarHBondContact O-CB 3.37Å; V344-N348 VanDerWaalsContact O-CG 3.22Å; V344-N348 PolarHBondContact O-N 2.89Å; V344-N348 PolarHBondContact O-ND2 2.99Å; E345-N348 PolarHBondContact O-N 2.79Å; N348-K351 VanDerWaalsContact O-CG 3.29Å; N348-K351 WeakPolarHBondContact O-CG 3.11Å; N348-K351 PolarHBondContact O-N 3.41Å; N348-T362 WeakPolarHBondContact OD1-CA 3.5Å; N348-C363 PolarHBondContact ND2-O 3.07Å; N348-C363 PolarHBondContact OD1-N 3.3Å; N348-C363 PolarHBondContact OD1-O 2.61Å |
| 349 | E | 84.8 | Confident | 83.7 | Confident | 133 Ų | 133 | 80 Ų | 80 | 62% | 0.621 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.7 | -47.8 | 177.1 | -70 | -178 | 142.7 | 0 | 0 | 112.1 | E345 K351 | E345-E349 WeakPolarHBondContact O-CG 3.33Å; E345-E349 PolarHBondContact O-N 3.05Å; E349-K351 PolarHBondContact O-N 3.3Å; E349-K351 VanDerWaalsContact O-N 3.1Å |
| 350 | A | 81 | Confident | 83.3 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 58% | 0.579 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q346 H352 | Q346-A350 WeakPolarHBondContact O-CB 3.27Å; Q346-A350 PolarHBondContact O-N 2.81Å; A350-H352 PolarHBondContact O-N 2.93Å |
| 351 | K | 77.5 | Confident | 83.1 | Confident | 145 Ų | 145 | 80 Ų | 80 | 63% | 0.63 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 40.3 | -178.3 | -66.6 | 177.7 | -177.2 | 171.5 | 0 | 112.3 | M347 N348 E349 I353 P360 | M347-K351 PolarHBondContact O-N 3.38Å; N348-K351 VanDerWaalsContact O-CG 3.29Å; N348-K351 WeakPolarHBondContact O-CG 3.11Å; N348-K351 PolarHBondContact O-N 3.41Å; E349-K351 PolarHBondContact O-N 3.3Å; E349-K351 VanDerWaalsContact O-N 3.1Å; K351-I353 PolarHBondContact O-N 3.2Å; K351-I353 VanDerWaalsContact O-N 3.1Å; K351-P360 HydrophobicContact CB-CB 3.95Å; K351-P360 VanDerWaalsContact O-CB 3.29Å; K351-P360 WeakPolarHBondContact O-CB 3.48Å |
| 352 | H | 76.9 | Confident | 82.8 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 32% | 0.315 | 40% | 0.398 | S | S | . | . | trans | -65 | 115.8 | -162.8 | -175.4 | -75 | 0 | 0 | 0 | 111.3 | M347 A350 I361 | M347-H352 HydrophobicContact SD-CB 3.93Å; A350-H352 PolarHBondContact O-N 2.93Å; H352-I361 WeakPolarHBondContact O-CG1 3.42Å; H352-I361 PolarHBondContact O-N 3.07Å | ||
| 353 | I | 77.2 | Confident | 82.7 | Confident | 103 Ų | 103 | 72.8 Ų | 72.8 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 117.4 | 174.6 | -56.7 | 179.1 | 0 | 0 | 0 | 108.1 | K351 G357 P360 | K351-I353 PolarHBondContact O-N 3.2Å; K351-I353 VanDerWaalsContact O-N 3.1Å; I353-G357 WeakPolarHBondContact CG2-O 3.48Å; I353-P360 HydrophobicContact CG1-CB 4.39Å |
| 354 | V | 75.1 | Confident | 82.6 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 9% | 0.085 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 142.5 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | P295 F299 M303 L307 G356 G357 I361 | P295-V354 HydrophobicContact CG-CB 3.92Å; P295-V354 HydrophobicContact CG-CG1 3.77Å; F299-V354 HydrophobicContact CD2-CG1 4.2Å; F299-V354 HydrophobicContact CE2-CG1 4.13Å; F299-V354 HydrophobicContact CE2-CG2 4.43Å; M303-V354 HydrophobicContact SD-CG1 4.41Å; L307-V354 HydrophobicContact CD1-CG2 4.2Å; V354-G356 PolarHBondContact O-N 3.02Å; V354-G356 VanDerWaalsContact O-N 3.15Å; V354-G357 PolarHBondContact O-N 3.39Å; V354-I361 HydrophobicContact CG2-CD1 3.63Å; V354-I361 HydrophobicContact CG2-CG1 4.01Å |
| 355 | R | 68.9 | Low | 82.6 | Confident | 247 Ų | 247 | 77.2 Ų | 77.2 | 93% | 0.932 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 122.8 | 171.9 | -66.6 | -174.5 | 177.6 | -137.1 | 0.6 | 109.6 | ||
| 356 | G | 69.4 | Low | 82.4 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 74% | 0.742 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | 5.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | P295 V354 | P295-G356 WeakPolarHBondContact CB-O 3.35Å; V354-G356 PolarHBondContact O-N 3.02Å; V354-G356 VanDerWaalsContact O-N 3.15Å |
| 357 | G | 70.5 | Confident | 82.2 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | trans | -114 | 135.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I353 V354 K359 | I353-G357 WeakPolarHBondContact CG2-O 3.48Å; V354-G357 PolarHBondContact O-N 3.39Å; G357-K359 PolarHBondContact O-N 2.88Å | ||
| 358 | D | 74.5 | Confident | 81.8 | Confident | 161 Ų | 161 | 77.2 Ų | 77.2 | 86% | 0.861 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.3 | -1.8 | -176.7 | -38.4 | -86.1 | 0 | 0 | 0 | 114.3 | ||
| 359 | K | 81.6 | Confident | 80.7 | Confident | 132 Ų | 132 | 77.8 Ų | 77.8 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -149.2 | 154.1 | -164.2 | -78.6 | 166.9 | -172.5 | 170.6 | 0 | 109.3 | N293 G357 | N293-K359 VanDerWaalsContact CG-CB 3.49Å; N293-K359 WeakPolarHBondContact ND2-CB 3.48Å; N293-K359 PolarHBondContact ND2-O 3.34Å; N293-K359 VanDerWaalsContact OD1-CB 3.24Å; N293-K359 WeakPolarHBondContact OD1-CB 3.41Å; N293-K359 WeakPolarHBondContact OD1-CD 3.42Å; G357-K359 PolarHBondContact O-N 2.88Å |
| 360 | P | 86.2 | Confident | 79.6 | Confident | 48 Ų | 48 | 74 Ų | 74 | 31% | 0.312 | 40% | 0.396 | S | S | . | . | trans | -67.7 | 150.2 | 178 | 30.1 | -36.8 | 0 | 0 | 0 | 111.8 | N293 K351 I353 | N293-P360 WeakPolarHBondContact CB-O 3.33Å; K351-P360 HydrophobicContact CB-CB 3.95Å; K351-P360 VanDerWaalsContact O-CB 3.29Å; K351-P360 WeakPolarHBondContact O-CB 3.48Å; I353-P360 HydrophobicContact CG1-CB 4.39Å | ||
| 361 | I | 87.6 | Confident | 78.4 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | trans | -55.7 | 140 | 164.4 | -65 | 169.8 | 0 | 0 | 0 | 108.6 | V291 L294 M347 H352 V354 | V291-I361 HydrophobicContact CG1-CG2 3.63Å; L294-I361 HydrophobicContact CD2-CD1 4.22Å; L294-I361 HydrophobicContact CD2-CG1 4.11Å; M347-I361 HydrophobicContact CE-CD1 4.22Å; M347-I361 HydrophobicContact CG-CB 4.26Å; M347-I361 HydrophobicContact CG-CG2 3.84Å; M347-I361 HydrophobicContact SD-CD1 4.04Å; H352-I361 WeakPolarHBondContact O-CG1 3.42Å; H352-I361 PolarHBondContact O-N 3.07Å; V354-I361 HydrophobicContact CG2-CD1 3.63Å; V354-I361 HydrophobicContact CG2-CG1 4.01Å | ||
| 362 | T | 88.7 | Confident | 77.2 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 27% | 0.27 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.6 | 164.7 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | R292 N348 | R292-T362 PolarHBondContact N-O 2.72Å; R292-T362 PolarHBondContact NE-OG1 2.91Å; R292-T362 PolarHBondContact NH2-OG1 3.19Å; R292-T362 PolarHBondContact O-N 3.01Å; N348-T362 WeakPolarHBondContact OD1-CA 3.5Å |
| 363 | C | 90.8 | Very high | 76.1 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 143.6 | 177.7 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | V289 Y290 F308 V344 N348 | V289-C363 HydrophobicContact CG1-CB 3.99Å; Y290-C363 WeakPolarHBondContact O-CA 3.39Å; F308-C363 VanDerWaalsContact CZ-SG 3.52Å; V344-C363 HydrophobicContact CB-CB 4.34Å; V344-C363 HydrophobicContact CG1-CB 4.46Å; V344-C363 HydrophobicContact CG2-CB 4.08Å; N348-C363 PolarHBondContact ND2-O 3.07Å; N348-C363 PolarHBondContact OD1-N 3.3Å; N348-C363 PolarHBondContact OD1-O 2.61Å |
| 364 | K | 90.7 | Very high | 74.8 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 158.9 | 164.6 | -67.4 | -163.6 | 176.9 | -164.1 | 0 | 108.8 | D249 Y290 A366 | D249-K364 IonicContact OD2-NZ 3.27Å; D249-K364 PolarHBondContact OD2-NZ 2.78Å; Y290-K364 PolarHBondContact N-O 2.62Å; Y290-K364 PolarHBondContact O-N 3.34Å; K364-A366 PolarHBondContact O-N 2.88Å |
| 365 | L | 91.9 | Very high | 73.3 | Confident | 36 Ų | 36 | 90.5 Ų | 90.5 | 19% | 0.188 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 138.4 | 163.4 | -63.7 | 177.2 | 0 | 0 | 0 | 109.4 | K284 A340 E341 V344 | K284-L365 HydrophobicContact CB-CB 4.09Å; K284-L365 HydrophobicContact CD-CB 4.43Å; K284-L365 HydrophobicContact CG-CB 4.43Å; A340-L365 HydrophobicContact CB-CD2 4.21Å; E341-L365 HydrophobicContact CG-CD1 4.26Å; E341-L365 HydrophobicContact CG-CD2 4.3Å; V344-L365 HydrophobicContact CG2-CD2 4.29Å |
| 366 | A | 88.3 | Confident | 72.2 | Confident | 2 Ų | 2 | 82.5 Ų | 82.5 | 2% | 0.017 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 150.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K284 D285 N288 F331 K364 | K284-A366 CarbonylContact C-O 3.6Å; K284-A366 WeakPolarHBondContact CA-O 3.32Å; D285-A366 PolarHBondContact N-O 2.78Å; N288-A366 HydrophobicContact CB-CB 4.17Å; N288-A366 VanDerWaalsContact O-CB 3.25Å; N288-A366 WeakPolarHBondContact O-CB 3.48Å; N288-A366 PolarHBondContact O-N 3.03Å; F331-A366 HydrophobicContact CD1-CB 4.1Å; F331-A366 HydrophobicContact CE1-CB 4.12Å; K364-A366 PolarHBondContact O-N 2.88Å |
| 367 | D | 85.7 | Confident | 70.8 | Confident | 84 Ų | 84 | 81.9 Ų | 81.9 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 136.2 | 168.7 | -67.9 | -15.3 | 0 | 0 | 0 | 110.6 | N282 A369 | N282-D367 HydrophobicContact CB-CB 4.1Å; N282-D367 PolarHBondContact ND2-OD2 3.48Å; D367-A369 PolarHBondContact O-N 2.84Å; D367-A369 VanDerWaalsContact O-N 3.11Å |
| 368 | K | 81.5 | Confident | 69.2 | Low | 109 Ų | 109 | 86.1 Ų | 86.1 | 47% | 0.474 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 119.6 | 170.4 | -72.4 | -174.9 | -165 | 173.4 | 0 | 109.4 | E283 K284 D285 D370 | E283-K368 HydrophobicContact CB-CB 4.46Å; E283-K368 HydrophobicContact CB-CD 3.68Å; E283-K368 HydrophobicContact CB-CG 4.15Å; E283-K368 WeakPolarHBondContact O-CB 3.34Å; E283-K368 WeakPolarHBondContact O-CG 3.19Å; E283-K368 PolarHBondContact O-N 3.42Å; E283-K368 WeakPolarHBondContact OE2-CD 3.32Å; E283-K368 WeakPolarHBondContact OE2-CE 3.12Å; E283-K368 IonicContact OE2-NZ 2.62Å; E283-K368 PolarHBondContact OE2-NZ 3.16Å; K284-K368 WeakPolarHBondContact O-CE 3.18Å; D285-K368 HydrophobicContact CB-CG 3.9Å; K368-D370 PolarHBondContact O-N 3.1Å |
| 369 | A | 66.4 | Low | 67.5 | Low | 66 Ų | 66 | 83.7 Ų | 83.7 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | trans | -73.7 | 85.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D367 P371 | D367-A369 PolarHBondContact O-N 2.84Å; D367-A369 VanDerWaalsContact O-N 3.11Å; A369-P371 VanDerWaalsContact O-N 3.11Å | ||
| 370 | D | 60.3 | Low | 65.6 | Low | 55 Ų | 55 | 81.4 Ų | 81.4 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | trans | -42.6 | 119.1 | 171.9 | -178.1 | -29.8 | 0 | 0 | 0 | 109.2 | K368 R372 R373 | K368-D370 PolarHBondContact O-N 3.1Å; D370-R372 PolarHBondContact O-N 3.11Å; D370-R372 VanDerWaalsContact OD1-CB 3.22Å; D370-R372 WeakPolarHBondContact OD1-CB 3.28Å; D370-R372 WeakPolarHBondContact OD1-CG 3.21Å; D370-R372 IonicContact OD1-CZ 2.66Å; D370-R372 PolarHBondContact OD1-N 2.86Å; D370-R372 IonicContact OD1-NE 3.7Å; D370-R372 PolarHBondContact OD1-NE 2.81Å; D370-R372 IonicContact OD1-NH2 2.63Å; D370-R372 IonicContact OD2-CZ 3.24Å; D370-R372 IonicContact OD2-NE 3.18Å; D370-R372 PolarHBondContact OD2-NE 3.12Å; D370-R372 VanDerWaalsContact OD2-NE 3.16Å; D370-R372 IonicContact OD2-NH2 3.18Å; D370-R372 PolarHBondContact OD2-NH2 3.44Å; D370-R373 WeakPolarHBondContact O-CB 3.38Å; D370-R373 PolarHBondContact O-N 3.46Å | ||
| 371 | P | 56.1 | Low | 63.8 | Low | 89 Ų | 89 | 86.5 Ų | 86.5 | 58% | 0.578 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.7 | -23.7 | -174.3 | 22.2 | -33 | 0 | 0 | 0 | 112.6 | A369 R374 | A369-P371 VanDerWaalsContact O-N 3.11Å; P371-R374 WeakPolarHBondContact O-CB 3.36Å; P371-R374 PolarHBondContact O-N 3.01Å |
| 372 | R | 51.9 | Low | 61.8 | Low | 160 Ų | 160 | 89.3 Ų | 89.3 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.5 | -29.8 | 175.6 | -56.7 | 172.4 | -66.5 | 179.1 | 1 | 112.8 | D370 R374 N375 A376 | D370-R372 PolarHBondContact O-N 3.11Å; D370-R372 VanDerWaalsContact OD1-CB 3.22Å; D370-R372 WeakPolarHBondContact OD1-CB 3.28Å; D370-R372 WeakPolarHBondContact OD1-CG 3.21Å; D370-R372 IonicContact OD1-CZ 2.66Å; D370-R372 PolarHBondContact OD1-N 2.86Å; D370-R372 IonicContact OD1-NE 3.7Å; D370-R372 PolarHBondContact OD1-NE 2.81Å; D370-R372 IonicContact OD1-NH2 2.63Å; D370-R372 IonicContact OD2-CZ 3.24Å; D370-R372 IonicContact OD2-NE 3.18Å; D370-R372 PolarHBondContact OD2-NE 3.12Å; D370-R372 VanDerWaalsContact OD2-NE 3.16Å; D370-R372 IonicContact OD2-NH2 3.18Å; D370-R372 PolarHBondContact OD2-NH2 3.44Å; R372-R374 VanDerWaalsContact C-N 3.29Å; R372-R374 PolarHBondContact O-N 2.8Å; R372-N375 CarbonylContact O-C 3.57Å; R372-N375 PolarHBondContact O-N 3.11Å; R372-A376 PolarHBondContact O-N 3.2Å; R372-A376 VanDerWaalsContact O-N 3.11Å |
| 373 | R | 55.1 | Low | 59.5 | Low | 179 Ų | 179 | 96.2 Ų | 96.2 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.2 | -32 | 173.5 | -88.8 | -168.8 | 171.5 | -135.1 | 1.7 | 111.9 | D370 N375 A376 | D370-R373 WeakPolarHBondContact O-CB 3.38Å; D370-R373 PolarHBondContact O-N 3.46Å; R373-N375 VanDerWaalsContact C-N 3.28Å; R373-N375 PolarHBondContact O-N 3.35Å; R373-A376 PolarHBondContact O-N 2.89Å; R373-A376 VanDerWaalsContact O-N 3.12Å |
| 374 | R | 49.3 | Very low | 57.4 | Low | 178 Ų | 178 | 101.5 Ų | 101.5 | 67% | 0.672 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.4 | -39 | 172.2 | -113.7 | 176.2 | -74.1 | 178.6 | -2.9 | 111.8 | P371 R372 A376 | P371-R374 WeakPolarHBondContact O-CB 3.36Å; P371-R374 PolarHBondContact O-N 3.01Å; R372-R374 VanDerWaalsContact C-N 3.29Å; R372-R374 PolarHBondContact O-N 2.8Å; R374-A376 VanDerWaalsContact C-N 3.31Å |
| 375 | N | 43.6 | Very low | 55.2 | Low | 139 Ų | 139 | 101.7 Ų | 101.7 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -4.2 | 176.8 | -63.3 | 5.5 | 0 | 0 | 0 | 113.7 | R372 R373 | R372-N375 CarbonylContact O-C 3.57Å; R372-N375 PolarHBondContact O-N 3.11Å; R373-N375 VanDerWaalsContact C-N 3.28Å; R373-N375 PolarHBondContact O-N 3.35Å |
| 376 | A | 45.1 | Very low | 53 | Low | 79 Ų | 79 | 104.5 Ų | 104.5 | 65% | 0.653 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 4.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R372 R373 R374 | R372-A376 PolarHBondContact O-N 3.2Å; R372-A376 VanDerWaalsContact O-N 3.11Å; R373-A376 PolarHBondContact O-N 2.89Å; R373-A376 VanDerWaalsContact O-N 3.12Å; R374-A376 VanDerWaalsContact C-N 3.31Å |
| 377 | A | 41.7 | Very low | 50.9 | Low | 59 Ų | 59 | 108.6 Ų | 108.6 | 49% | 0.488 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -56.4 | 147.8 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | N379 | A377-N379 PolarHBondContact O-N 3.34Š|
| 378 | P | 36.3 | Very low | 48.5 | Very low | 103 Ų | 103 | 107 Ų | 107 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | trans | -66.7 | 95.6 | -177.7 | 27.2 | -34.1 | 0 | 0 | 0 | 110.2 | A380 | P378-A380 PolarHBondContact O-N 2.89Š| ||
| 379 | N | 38 | Very low | 46.7 | Very low | 110 Ų | 110 | 110 Ų | 110 | 59% | 0.588 | 65% | 0.647 | S | S | * | * | trans | -74.9 | 76.7 | -179.3 | -137.3 | 16.8 | 0 | 0 | 0 | 108.9 | A377 Q381 A382 | A377-N379 PolarHBondContact O-N 3.34Å; N379-Q381 PolarHBondContact O-N 3.35Å; N379-A382 WeakPolarHBondContact O-CB 3.4Å; N379-A382 PolarHBondContact O-N 3.44Å | ||
| 380 | A | 42.4 | Very low | 45.7 | Very low | 83 Ų | 83 | 113.5 Ų | 113.5 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -12.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P378 | P378-A380 PolarHBondContact O-N 2.89Š|
| 381 | Q | 47.7 | Very low | 44.6 | Very low | 155 Ų | 155 | 116.6 Ų | 116.6 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -23.8 | 173.8 | -63.2 | 173.4 | -9.5 | 0 | 0 | 113 | N379 | N379-Q381 PolarHBondContact O-N 3.35Š|
| 382 | A | 46.4 | Very low | 43.8 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 51% | 0.512 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -33.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N379 V384 A385 | N379-A382 WeakPolarHBondContact O-CB 3.4Å; N379-A382 PolarHBondContact O-N 3.44Å; A382-V384 PolarHBondContact O-N 3.3Å; A382-A385 PolarHBondContact O-N 3.41Å |
| 383 | F | 39.5 | Very low | 43.4 | Very low | 190 Ų | 190 | 118.3 Ų | 118.3 | 83% | 0.833 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -15.4 | -177.8 | -128.1 | -88.4 | 0 | 0 | 0 | 113.6 | ||
| 384 | V | 48.1 | Very low | 42.6 | Very low | 112 Ų | 112 | 115.8 Ų | 115.8 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -29.4 | 178.7 | -164.3 | 0 | 0 | 0 | 0 | 111.4 | A382 A386 | A382-V384 PolarHBondContact O-N 3.3Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 3.06Å |
| 385 | A | 44.6 | Very low | 42.3 | Very low | 85 Ų | 85 | 113.4 Ų | 113.4 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -13.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A382 | A382-A385 PolarHBondContact O-N 3.41Š|
| 386 | A | 44.5 | Very low | 41.9 | Very low | 95 Ų | 95 | 110.8 Ų | 110.8 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 0.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V384 | V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 3.06Å |
| 387 | A | 44 | Very low | 41.7 | Very low | 88 Ų | 88 | 114 Ų | 114 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -129.2 | 7.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 388 | G | 36.8 | Very low | 41.7 | Very low | 52 Ų | 52 | 117.6 Ų | 117.6 | 54% | 0.536 | 71% | 0.712 | S | S | . | * | trans | -130.1 | 116.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 389 | L | 42.3 | Very low | 41.6 | Very low | 171 Ų | 171 | 120 Ų | 120 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | 62.6 | 87.7 | 85.5 | -75.2 | 168.3 | 0 | 0 | 0 | 113.6 | |||||
| 390 | H | 47 | Very low | 41.6 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 65% | 0.648 | 72% | 0.72 | S | S | * | * | trans | 36.1 | 102.5 | 139.5 | -154.1 | 152.3 | 0 | 0 | 0 | 117.1 | Q392 | H390-Q392 PolarHBondContact NE2-NE2 3.13Å; H390-Q392 PolarHBondContact O-N 3.41Å | ||
| 391 | P | 35.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | -69.6 | 115 | 171.5 | 29.6 | -32.9 | 0 | 0 | 0 | 110.4 | ||||
| 392 | Q | 40.1 | Very low | 40.7 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | trans | -105.3 | 138.8 | 169.1 | -80.9 | -68.3 | -8.3 | 0 | 0 | 110.3 | H390 | H390-Q392 PolarHBondContact NE2-NE2 3.13Å; H390-Q392 PolarHBondContact O-N 3.41Å | ||
| 393 | I | 44.5 | Very low | 40.1 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -98.3 | 121.8 | -165.2 | -55.6 | 168.9 | 0 | 0 | 0 | 109.8 | V395 | I393-V395 HydrophobicContact CG2-CG2 3.74Å; I393-V395 PolarHBondContact O-N 2.88Å; I393-V395 VanDerWaalsContact O-N 3.12Å | ||
| 394 | P | 37.2 | Very low | 40 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -81 | 87.4 | 170 | 32.6 | -31.9 | 0 | 0 | 0 | 110 | A396 | P394-A396 PolarHBondContact O-N 3.37Š| ||
| 395 | V | 42.4 | Very low | 39.4 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | trans | -80.6 | 109.8 | 168.1 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | I393 | I393-V395 HydrophobicContact CG2-CG2 3.74Å; I393-V395 PolarHBondContact O-N 2.88Å; I393-V395 VanDerWaalsContact O-N 3.12Å | ||
| 396 | A | 36.3 | Very low | 39.3 | Very low | 83 Ų | 83 | 128.2 Ų | 128.2 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | trans | -89.1 | 130.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P394 | P394-A396 PolarHBondContact O-N 3.37Š| ||
| 397 | N | 41.5 | Very low | 39.1 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -166.9 | 122.1 | 138.1 | -102.7 | -24.7 | 0 | 0 | 0 | 113 | ||||
| 398 | N | 40.1 | Very low | 39 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 34.2 | 110.1 | 139 | -64.4 | -26.6 | 0 | 0 | 0 | 121.1 | ||||
| 399 | L | 35.2 | Very low | 39.1 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | 65.1 | 134.8 | 111.2 | -118.6 | 72.6 | 0 | 0 | 0 | 121.2 | |||||
| 400 | T | 36.8 | Very low | 38.9 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | trans | 89.2 | 95.1 | 142 | -50.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 401 | R | 34.8 | Very low | 38.7 | Very low | 218 Ų | 218 | 131 Ų | 131 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | 71 | 136.5 | 138.2 | -66.4 | 178.2 | -178.3 | -160.6 | 0.4 | 120.9 | ||||
| 402 | T | 37.1 | Very low | 39.1 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | 61.9 | 147.9 | 142.2 | 52.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 403 | A | 34.9 | Very low | 38.9 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | cis | -170.4 | 151.4 | -23.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 404 | Q | 36.5 | Very low | 38.7 | Very low | 203 Ų | 203 | 131.9 Ų | 131.9 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | trans | 63.9 | 137.6 | 171.1 | -58.1 | 154.1 | -44.4 | 0 | 0 | 114.8 | ||||
| 405 | G | 36.3 | Very low | 38.7 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 163.6 | 163.7 | -10.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 406 | L | 42.1 | Very low | 38.5 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | trans | 67.6 | 147.2 | 162.9 | -55.1 | 178.5 | 0 | 0 | 0 | 116.2 | ||||
| 407 | S | 40.3 | Very low | 38.7 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 78% | 0.781 | S | S | * | * | cis | -163.5 | 178.7 | -7.6 | 41.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 408 | N | 41.8 | Very low | 38.5 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 73.5 | 107.5 | 168.7 | -44.2 | -25.2 | 0 | 0 | 0 | 114.3 | ||||
| 409 | L | 37.5 | Very low | 38.4 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | cis | 71.4 | 91.4 | 14.6 | -163.7 | 78.8 | 0 | 0 | 0 | 116.7 | ||||
| 410 | A | 38.7 | Very low | 38.3 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -179.6 | 146.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 411 | S | 43.6 | Very low | 38 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | -166.7 | 155.5 | -13.1 | -93.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 412 | L | 42.9 | Very low | 37.8 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | 64.3 | 132.7 | 163.6 | -60.1 | 159.6 | 0 | 0 | 0 | 117.6 | ||||
| 413 | Q | 37.4 | Very low | 37.5 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | cis | 88.8 | 97.3 | 18 | -55.4 | 176 | -88.3 | 0 | 0 | 118.3 | ||||
| 414 | A | 40.3 | Very low | 37.5 | Very low | 94 Ų | 94 | 139 Ų | 139 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -167.4 | 117.4 | 138.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 415 | L | 36.4 | Very low | 37.6 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | 77.1 | 125.9 | 65.6 | -77.5 | 168.9 | 0 | 0 | 0 | 114.7 | |||||
| 416 | G | 38.2 | Very low | 37.5 | Very low | 67 Ų | 67 | 138.7 Ų | 138.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 119.7 | 65.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 417 | Q | 39.9 | Very low | 37.2 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | 57.5 | 99.9 | 91.9 | -65.4 | -172.6 | -7.4 | 0 | 0 | 116 | |||||
| 418 | A | 37.7 | Very low | 37 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | -175.3 | 147.3 | 129.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 419 | Q | 38.7 | Very low | 36.4 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -53.1 | 134.7 | -178.9 | -70.7 | 158.8 | -58.5 | 0 | 0 | 114.2 | ||||
| 420 | Q | 32 | Very low | 36.3 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | 56.4 | 91.4 | 80.7 | -68.4 | -169.3 | 4.2 | 0 | 0 | 116.1 | |||||
| 421 | S | 31 | Very low | 36.1 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -163.5 | 128 | 142.3 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 422 | T | 30.6 | Very low | 35.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 32.4 | 106.2 | 145.7 | -48.7 | 0 | 0 | 0 | 0 | 119.8 | T424 | T422-T424 HydrophobicContact CG2-CG2 4.03Å; T422-T424 PolarHBondContact O-N 3.47Å | ||
| 423 | F | 30.1 | Very low | 35 | Very low | 210 Ų | 210 | 140.9 Ų | 140.9 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -81.8 | 102.5 | 166.3 | -123.5 | -88.2 | 0 | 0 | 0 | 111.7 | ||||
| 424 | T | 34.9 | Very low | 34.8 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -130.6 | 117.2 | 165.6 | 47.4 | 0 | 0 | 0 | 0 | 110.5 | T422 Q426 | T422-T424 HydrophobicContact CG2-CG2 4.03Å; T422-T424 PolarHBondContact O-N 3.47Å; T424-Q426 PolarHBondContact O-N 3Å | ||
| 425 | P | 39.1 | Very low | 35 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 56% | 0.558 | 76% | 0.764 | S | S | * | * | trans | -90.1 | 93.6 | 167.4 | 33.2 | -29.1 | 0 | 0 | 0 | 110.3 | F427 | P425-F427 HydrophobicContact CB-CD2 4.36Å; P425-F427 HydrophobicContact CB-CE2 4.36Å | ||
| 426 | Q | 35.3 | Very low | 34.9 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -83.4 | 144.3 | 139.1 | -76.3 | -167.6 | -6.5 | 0 | 0 | 107.4 | T424 | T424-Q426 PolarHBondContact O-N 3Š| ||
| 427 | F | 35.9 | Very low | 34.6 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -127.6 | 118.9 | 163.8 | -90.8 | -77.7 | 0 | 0 | 0 | 108.8 | P425 | P425-F427 HydrophobicContact CB-CD2 4.36Å; P425-F427 HydrophobicContact CB-CE2 4.36Å | ||
| 428 | P | 35 | Very low | 34.3 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | trans | -92.7 | -179.6 | -172.2 | 38 | -37.4 | 0 | 0 | 0 | 113.1 | ||||
| 429 | L | 30.1 | Very low | 34.1 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -75.6 | 171.2 | 165.9 | -80.2 | 77.6 | 0 | 0 | 0 | 112 | ||||
| 430 | T | 34.3 | Very low | 33.8 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | 90.6 | 126.3 | 158.2 | 71.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 431 | A | 35.6 | Very low | 34.1 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 59.2 | 146.4 | 133.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 432 | Q | 33.1 | Very low | 34.1 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | cis | -162.9 | 171.8 | 2 | -140.2 | 177.8 | -30.8 | 0 | 0 | 111.5 | ||||
| 433 | L | 30.5 | Very low | 34.3 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 65% | 0.654 | 72% | 0.72 | S | S | * | * | trans | 74 | 148.6 | 153.1 | -112.1 | 65.1 | 0 | 0 | 0 | 116.5 | ||||
| 434 | V | 32.9 | Very low | 34.7 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 43% | 0.43 | 71% | 0.712 | S | S | . | * | cis | -147.1 | 158 | 14.1 | -159.5 | 0 | 0 | 0 | 0 | 111.5 | P470 C471 | V434-P470 HydrophobicContact CB-CB 3.69Å; V434-P470 HydrophobicContact CG1-CB 3.7Å; V434-P470 HydrophobicContact CG2-CB 3.49Å; V434-P470 VanDerWaalsContact CG2-CB 3.49Å; V434-C471 WeakPolarHBondContact CG1-O 3.45Å | ||
| 435 | Q | 43.3 | Very low | 34.8 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | -99 | -178.8 | 171.1 | -61.4 | -179.5 | -11 | 0 | 0 | 112.2 | ||||
| 436 | P | 35.4 | Very low | 34.4 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | -127.5 | 150.2 | 83 | 7 | 16.4 | 0 | 0 | 0 | 114 | |||||
| 437 | L | 30.6 | Very low | 34 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 63% | 0.628 | 72% | 0.718 | S | S | * | * | 67.1 | 112.4 | 66.4 | -107.7 | -178.9 | 0 | 0 | 0 | 112.4 | |||||
| 438 | H | 35.3 | Very low | 34 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | -158.1 | 147.6 | 66.9 | -90.1 | 74.5 | 0 | 0 | 0 | 116.3 | |||||
| 439 | Q | 32.1 | Very low | 33.7 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 71% | 0.71 | 71% | 0.711 | S | S | * | * | trans | 52.8 | 120.5 | 138.7 | -66.7 | -177.3 | 4 | 0 | 0 | 120.8 | ||||
| 440 | T | 33 | Very low | 33.7 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | cis | 101.4 | 157.5 | 36.5 | 58 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 441 | P | 37.4 | Very low | 33.4 | Very low | 102 Ų | 102 | 123.4 Ų | 123.4 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | cis | -146.9 | 178.2 | -39.7 | 42.3 | -25.3 | 0 | 0 | 0 | 115.5 | ||||
| 442 | V | 31.7 | Very low | 33.2 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | trans | 68.4 | 140.9 | 164.2 | -164.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 443 | V | 35.5 | Very low | 33 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | cis | -137.1 | 169.2 | 49.7 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 444 | V | 37.5 | Very low | 33.1 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 76% | 0.758 | 71% | 0.705 | S | S | * | * | trans | -95.9 | -171.6 | -168.9 | -132.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 445 | P | 37.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -99 | 179.8 | -132.7 | 44.5 | -33.7 | 0 | 0 | 0 | 114.8 | ||||
| 446 | N | 29.9 | Very low | 32.6 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | 171.1 | 139.6 | 108.7 | -163.6 | 31.2 | 0 | 0 | 0 | 114.5 | |||||
| 447 | M | 28.5 | Very low | 32.5 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 71% | 0.709 | 73% | 0.73 | S | S | * | * | trans | 61.6 | 163.7 | 155.9 | -79.4 | -74.7 | 170.4 | 0 | 0 | 122.2 | ||||
| 448 | H | 34.4 | Very low | 32.5 | Very low | 156 Ų | 156 | 133 Ų | 133 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 85.2 | 90.4 | 162.4 | -46.7 | 113.3 | 0 | 0 | 0 | 120.3 | ||||
| 449 | S | 28.8 | Very low | 32.4 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | 71 | 126.4 | 115.5 | -55.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 450 | S | 30 | Very low | 32.4 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | 82.5 | 104 | 136.2 | -60.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 451 | S | 28.3 | Very low | 32.3 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | 82.9 | 159 | 122.1 | -60.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 452 | I | 31.4 | Very low | 32.2 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | trans | 68.7 | 91.8 | 169.8 | -58.4 | 144.8 | 0 | 0 | 0 | 113.1 | ||||
| 453 | S | 29.1 | Very low | 32.1 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | 63.7 | 92.2 | 70.1 | -162 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 454 | S | 32.2 | Very low | 31.8 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 105.6 | 165 | 90.8 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 455 | Q | 35.4 | Very low | 31.4 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | 73.9 | 135.6 | 172.9 | -63 | -151.7 | 57.4 | 0 | 0 | 115.4 | ||||
| 456 | N | 30.2 | Very low | 31.1 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | cis | -162.4 | 174.8 | -7.8 | -152.4 | -32.7 | 0 | 0 | 0 | 111.4 | ||||
| 457 | R | 34.8 | Very low | 31.2 | Very low | 214 Ų | 214 | 135.2 Ų | 135.2 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | trans | 79.2 | 101.9 | 159.4 | -59.4 | -177.6 | -167.5 | -153.9 | 3.2 | 119.3 | ||||
| 458 | N | 29.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -50.8 | 150.7 | 135.6 | -55.2 | -72.8 | 0 | 0 | 0 | 110.7 | ||||
| 459 | I | 33.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 130 Ų | 130 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | -171.9 | 116.9 | 128.9 | -101.3 | 157.1 | 0 | 0 | 0 | 112.3 | |||||
| 460 | L | 31.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | 49.8 | 136.1 | 142.9 | -66.8 | 166.8 | 0 | 0 | 0 | 124.3 | ||||
| 461 | L | 31.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | trans | 84 | 156.5 | 140.8 | -71.8 | 166.9 | 0 | 0 | 0 | 118.3 | ||||
| 462 | P | 36.2 | Very low | 32.4 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | trans | -123.2 | -162.9 | -132.8 | 45.7 | -34.8 | 0 | 0 | 0 | 113.7 | ||||
| 463 | S | 28.9 | Very low | 32.6 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | 76.4 | 144.8 | 172.4 | -55 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 464 | T | 29 | Very low | 32.9 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | cis | -164 | 157.6 | -2.8 | 7.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 465 | L | 29 | Very low | 33.1 | Very low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | trans | 71.1 | 151.7 | 143.9 | -73.8 | 167.2 | 0 | 0 | 0 | 121.8 | ||||
| 466 | L | 31.6 | Very low | 33 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | 65.6 | 145.4 | 160.5 | -88.7 | 79.9 | 0 | 0 | 0 | 119 | ||||
| 467 | Q | 30.6 | Very low | 33.3 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | cis | -160.4 | 143.7 | -22 | -151.7 | 154.1 | 38.3 | 0 | 0 | 112.9 | ||||
| 468 | N | 31.5 | Very low | 33.4 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | trans | 24.6 | 142.5 | 151.3 | -50.5 | -2.9 | 0 | 0 | 0 | 123.8 | ||||
| 469 | G | 32.9 | Very low | 33.7 | Very low | 48 Ų | 48 | 118.9 Ų | 118.9 | 50% | 0.495 | 73% | 0.734 | S | S | . | * | trans | -83 | -150.1 | 147 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 470 | P | 46.2 | Very low | 33.8 | Very low | 87 Ų | 87 | 116.9 Ų | 116.9 | 57% | 0.565 | 73% | 0.733 | S | S | * | * | cis | -136.7 | -176.3 | 1 | 42 | -24.6 | 0 | 0 | 0 | 115.7 | V434 | V434-P470 HydrophobicContact CB-CB 3.69Å; V434-P470 HydrophobicContact CG1-CB 3.7Å; V434-P470 HydrophobicContact CG2-CB 3.49Å; V434-P470 VanDerWaalsContact CG2-CB 3.49Å | ||
| 471 | C | 33.7 | Very low | 33.9 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 72% | 0.723 | 74% | 0.736 | S | S | * | * | 173.5 | -160.8 | 127.4 | 61 | 0 | 0 | 0 | 0 | 114.1 | V434 | V434-C471 WeakPolarHBondContact CG1-O 3.45Š| |||
| 472 | C | 31.2 | Very low | 34.5 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | -140.4 | 157.4 | -133.8 | 55.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 473 | G | 35.9 | Very low | 34.2 | Very low | 71 Ų | 71 | 117.2 Ų | 117.2 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | 91.2 | 159.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 474 | S | 36.6 | Very low | 34.3 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | cis | -169.2 | 167 | -14.2 | -84.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 475 | T | 34.6 | Very low | 34.7 | Very low | 134 Ų | 134 | 118.8 Ų | 118.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 91.3 | 104 | 151.7 | -49.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 476 | A | 33.7 | Very low | 35.1 | Very low | 87 Ų | 87 | 117.4 Ų | 117.4 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | 27.5 | 140.9 | 138 | 0 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 477 | V | 36.6 | Very low | 35.3 | Very low | 142 Ų | 142 | 118.7 Ų | 118.7 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | -152.4 | 141.4 | 115.3 | -164.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 478 | P | 36.5 | Very low | 35.5 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -123.5 | 154 | 174.3 | 40.1 | -28.9 | 0 | 0 | 0 | 116.1 | ||||
| 479 | V | 37.7 | Very low | 35.7 | Very low | 143 Ų | 143 | 112.5 Ų | 112.5 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | trans | -168.5 | 171.9 | 164.8 | -100.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 480 | S | 34.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | -159.9 | 168 | -75.9 | -91.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 481 | F | 34 | Very low | 35.4 | Very low | 185 Ų | 185 | 118.3 Ų | 118.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -65.5 | 170.1 | -178.6 | -69.7 | -96.3 | 0 | 0 | 0 | 114.6 | ||||
| 482 | P | 42.6 | Very low | 35.3 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | -130.8 | 168.5 | 103.9 | 39.1 | -33.5 | 0 | 0 | 0 | 114.9 | |||||
| 483 | S | 29.6 | Very low | 35.6 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -142.7 | 173.6 | 177 | -67.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 484 | I | 32.3 | Very low | 35.6 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | 82.5 | 127.7 | 171.3 | -52 | 169.4 | 0 | 0 | 0 | 114.9 | ||||
| 485 | G | 37.8 | Very low | 35.6 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 172.3 | 92.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 486 | T | 36.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -98.3 | 130.8 | -171.3 | 44.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 487 | N | 35.6 | Very low | 35.6 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | 173.7 | 150.8 | 122.4 | -95.2 | -53 | 0 | 0 | 0 | 115 | |||||
| 488 | G | 35.4 | Very low | 35.5 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 14.1 | 134.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 489 | G | 36.7 | Very low | 35.4 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 168.3 | 106.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 490 | N | 34.6 | Very low | 35.2 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 96% | 0.957 | 81% | 0.811 | S | S | * | * | trans | -75.1 | 141 | -179.3 | -62.5 | -33.7 | 0 | 0 | 0 | 112.6 | ||||
| 491 | G | 37.6 | Very low | 35.3 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 174.1 | 128.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 492 | Q | 32.3 | Very low | 35.2 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -119.5 | 127 | 179.5 | -71.2 | -177.3 | -26.4 | 0 | 0 | 112.2 | ||||
| 493 | S | 37 | Very low | 34.9 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -177.1 | 102.8 | 156.6 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 494 | T | 34.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 76% | 0.755 | 82% | 0.824 | S | S | * | * | 60.2 | 108.6 | 91.4 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 495 | I | 36.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | 165.7 | 149.4 | 86 | -95.5 | 142.6 | 0 | 0 | 0 | 105.7 | |||||
| 496 | S | 33.2 | Very low | 35.3 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | cis | -142.8 | 137.6 | 29.5 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 497 | T | 36.1 | Very low | 35.4 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | trans | -147.5 | 122.1 | 148.5 | 32.4 | 0 | 0 | 0 | 0 | 109 | S499 | T497-S499 PolarHBondContact O-N 3.15Š| ||
| 498 | S | 34.3 | Very low | 35.7 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -87.8 | 73.7 | -166.1 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 499 | S | 35.5 | Very low | 35.6 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -99.1 | 95.4 | 162.8 | -68.2 | 0 | 0 | 0 | 0 | 110.2 | T497 R501 | T497-S499 PolarHBondContact O-N 3.15Å; S499-R501 PolarHBondContact O-N 3.47Å | ||
| 500 | Y | 33.5 | Very low | 35.6 | Very low | 232 Ų | 232 | 140.2 Ų | 140.2 | 91% | 0.91 | 82% | 0.818 | S | S | * | * | trans | -77.6 | 90.8 | -178 | -85.2 | -76.6 | 0 | 0 | 0 | 112.7 | ||||
| 501 | R | 35.3 | Very low | 35.6 | Very low | 240 Ų | 240 | 140.1 Ų | 140.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -103.5 | 149.5 | 160.8 | -161.7 | 178.5 | -173.3 | -169 | 2 | 108.3 | S499 | S499-R501 PolarHBondContact O-N 3.47Š| ||
| 502 | A | 32.8 | Very low | 35.5 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -67.9 | 154.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 503 | N | 35.1 | Very low | 36 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -163.7 | 160.8 | 145.4 | -104.1 | -26 | 0 | 0 | 0 | 112.6 | ||||
| 504 | L | 36.4 | Very low | 36.1 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -107.4 | 148.6 | -178.7 | -58.8 | 76.4 | 0 | 0 | 0 | 111.7 | ||||
| 505 | V | 36.2 | Very low | 36.1 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -156.9 | 138.8 | 139.6 | -174.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 506 | G | 36.2 | Very low | 36.1 | Very low | 61 Ų | 61 | 136.7 Ų | 136.7 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | cis | 153.9 | 162.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 507 | I | 38.5 | Very low | 36 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | trans | 74 | 143.4 | 160.4 | -65.3 | 170.9 | 0 | 0 | 0 | 114.4 | ||||
| 508 | P | 42.2 | Very low | 36.4 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | cis | -117.3 | -173.7 | 28.3 | 18.6 | 6.5 | 0 | 0 | 0 | 117.9 | ||||
| 509 | Q | 32.5 | Very low | 36.4 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -102.8 | 158.3 | -163.7 | -60.1 | 157.3 | -43.2 | 0 | 0 | 113.2 | ||||
| 510 | G | 37.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -159.9 | 130.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 511 | Q | 35.1 | Very low | 36.5 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -98.4 | 129.9 | -159.6 | -64.2 | 157.9 | -78 | 0 | 0 | 114.9 | ||||
| 512 | M | 35.3 | Very low | 36.5 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 58.8 | 175.8 | 134.1 | -60.4 | -169.4 | 178.9 | 0 | 0 | 118.8 | ||||
| 513 | P | 43 | Very low | 36.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | cis | -130 | 159.7 | -4.5 | 31.7 | -10.7 | 0 | 0 | 0 | 118 | ||||
| 514 | S | 37.6 | Very low | 36.2 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | 49.3 | 119.3 | 138.2 | -54.9 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 515 | G | 34.6 | Very low | 35.9 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 91.7 | 154.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 516 | A | 36.6 | Very low | 35.8 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | -164.7 | 138.9 | -17.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 517 | Q | 32.8 | Very low | 35.7 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 60.1 | 148.1 | 172.4 | -69.9 | -100.3 | -95 | 0 | 0 | 116.9 | ||||
| 518 | P | 43.9 | Very low | 35.4 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | -141.2 | 179.6 | 90.5 | 39.2 | -24.2 | 0 | 0 | 0 | 114.1 | |||||
| 519 | N | 34.2 | Very low | 35.1 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 81% | 0.811 | S | S | * | * | trans | -147.8 | 141.1 | 179.1 | -169.1 | 7 | 0 | 0 | 0 | 110 | ||||
| 520 | Q | 37.6 | Very low | 35.1 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | 64 | 153.5 | 179.6 | -45.8 | 179.5 | 14.4 | 0 | 0 | 115.5 | ||||
| 521 | G | 32.3 | Very low | 34.9 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | cis | 156.6 | 94.7 | -12.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 522 | T | 35.2 | Very low | 34.9 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -146.7 | 142.8 | 174.6 | -41.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 523 | A | 29.4 | Very low | 34.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -146.2 | 128.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 524 | I | 33.6 | Very low | 34.4 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -151.3 | 99 | 170.4 | -48.9 | 178 | 0 | 0 | 0 | 105.4 | ||||
| 525 | V | 29.7 | Very low | 34.1 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | 84.7 | 146.3 | 78.3 | 168.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 526 | A | 34.9 | Very low | 34.1 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | 85.4 | 130.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 527 | G | 34 | Very low | 34 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | -160.3 | 156.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 528 | Y | 31.9 | Very low | 33.9 | Very low | 216 Ų | 216 | 142.6 Ų | 142.6 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | -89.7 | 156.9 | -176.2 | -92.8 | -96.8 | 0 | 0 | 0 | 113.6 | D530 | Y528-D530 WeakPolarHBondContact CD1-OD2 3.39Š| ||
| 529 | A | 35 | Very low | 33.4 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -150.4 | 51.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 530 | D | 33.4 | Very low | 33.2 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 139.3 | 171.1 | -97.6 | -73.8 | 0 | 0 | 0 | 111.6 | Y528 | Y528-D530 WeakPolarHBondContact CD1-OD2 3.39Š| ||
| 531 | Y | 33.2 | Very low | 32.8 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -129 | 147.1 | 170.1 | -92.6 | -92.4 | 0 | 0 | 0 | 111.4 | ||||
| 532 | P | 35.5 | Very low | 32.9 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -97.2 | 141.6 | -136.1 | 34 | -36.9 | 0 | 0 | 0 | 116.3 | S534 | P532-S534 PolarHBondContact O-N 2.9Š| ||
| 533 | F | 32.9 | Very low | 32.9 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 93% | 0.934 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 111.2 | 162.3 | -122.9 | -86.1 | 0 | 0 | 0 | 110.4 | R535 | F533-R535 PolarHBondContact O-N 2.9Å; F533-R535 VanDerWaalsContact O-N 3.07Å | ||
| 534 | S | 34.4 | Very low | 33 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -69 | 104.6 | -179.6 | -73.3 | 0 | 0 | 0 | 0 | 112.6 | P532 | P532-S534 PolarHBondContact O-N 2.9Š| ||
| 535 | R | 31.1 | Very low | 33 | Very low | 255 Ų | 255 | 142 Ų | 142 | 96% | 0.962 | 81% | 0.811 | S | S | * | * | trans | -75.1 | 120.1 | 157.9 | -86.7 | -174.2 | 168.5 | -163.8 | -1.7 | 109.5 | F533 | F533-R535 PolarHBondContact O-N 2.9Å; F533-R535 VanDerWaalsContact O-N 3.07Å | ||
| 536 | S | 34.3 | Very low | 33.2 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 144.5 | 161.3 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 537 | K | 33.8 | Very low | 33.2 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -72.5 | 150.9 | -168 | -52.4 | 159.8 | -175.9 | 174.7 | 0 | 111.3 | ||||
| 538 | S | 32.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | -167.7 | 158.7 | 114.1 | -148.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 539 | C | 32.6 | Very low | 33.5 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | 19.1 | 113.8 | 164.2 | 50.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 540 | V | 29.6 | Very low | 33.6 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -37.5 | 143 | 142.1 | 173.6 | 0 | 0 | 0 | 0 | 113.5 | V542 | V540-V542 HydrophobicContact CG1-CB 4.49Å; V540-V542 HydrophobicContact CG1-CG2 4.05Å | ||
| 541 | N | 30.3 | Very low | 33.8 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -141.3 | 109.5 | 141.8 | -169.5 | 13.7 | 0 | 0 | 0 | 109 | ||||
| 542 | V | 32.8 | Very low | 34.3 | Very low | 121 Ų | 121 | 144.3 Ų | 144.3 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -110.2 | 114 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 107.5 | V540 | V540-V542 HydrophobicContact CG1-CB 4.49Å; V540-V542 HydrophobicContact CG1-CG2 4.05Å | ||
| 543 | Q | 36.4 | Very low | 34.6 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 124.7 | 168.2 | -70.5 | -175.4 | -92.3 | 0 | 0 | 109.2 | ||||
| 544 | S | 30.7 | Very low | 34.7 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -71.7 | 138.9 | 174.2 | 39.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 545 | G | 35 | Very low | 34.6 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -163.5 | 110.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 546 | N | 32.2 | Very low | 34.7 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 139.8 | -173.9 | -62.5 | -24.8 | 0 | 0 | 0 | 112.7 | ||||
| 547 | F | 35.1 | Very low | 34.6 | Very low | 219 Ų | 219 | 136.7 Ų | 136.7 | 96% | 0.961 | 79% | 0.787 | S | S | * | * | trans | -149.6 | 148.9 | 130 | -107.3 | -73 | 0 | 0 | 0 | 110.3 | ||||
| 548 | S | 33.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -118.3 | 135.8 | -171.2 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 549 | A | 39.5 | Very low | 34.8 | Very low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -159.1 | 135.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 550 | N | 36.6 | Very low | 34.8 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | -96.2 | 150.6 | -179 | -52 | -65.3 | 0 | 0 | 0 | 111.3 | ||||
| 551 | N | 38.7 | Very low | 35.1 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | -178.1 | 160.1 | 113.2 | -90.5 | -34.7 | 0 | 0 | 0 | 114.5 | |||||
| 552 | L | 43.9 | Very low | 35.5 | Very low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -93.4 | -166.4 | -176.1 | -67.7 | 131 | 0 | 0 | 0 | 111 | V554 | L552-V554 HydrophobicContact CD2-CG2 4.27Š| ||
| 553 | P | 41.8 | Very low | 35.7 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -119.8 | 159.9 | -13.1 | 10 | 16.6 | 0 | 0 | 0 | 113.3 | ||||
| 554 | V | 34.2 | Very low | 35.5 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 62% | 0.624 | 78% | 0.78 | S | S | * | * | 67.2 | 117.4 | 66.7 | -175.5 | 0 | 0 | 0 | 0 | 115.8 | L552 | L552-V554 HydrophobicContact CD2-CG2 4.27Š| |||
| 555 | Y | 32.7 | Very low | 35.8 | Very low | 237 Ų | 237 | 131.1 Ų | 131.1 | 93% | 0.929 | 78% | 0.777 | S | S | * | * | trans | -150.7 | 155 | 137.1 | -120.6 | -80.9 | 0 | 0 | 0 | 110.1 | ||||
| 556 | T | 32.2 | Very low | 35.9 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -152.1 | 153.5 | -157.1 | -29.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 557 | A | 32.9 | Very low | 36 | Very low | 81 Ų | 81 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | 58.9 | 119 | 151.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 558 | N | 33.1 | Very low | 35.9 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | trans | 174.9 | 155.8 | 131.9 | -90.2 | -28.4 | 0 | 0 | 0 | 108.7 | ||||
| 559 | G | 38.3 | Very low | 35.8 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | cis | -174.6 | 161 | -5.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 560 | N | 31.3 | Very low | 35.5 | Very low | 165 Ų | 165 | 133 Ų | 133 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -80.4 | 161.5 | -178.1 | -62.3 | -35.3 | 0 | 0 | 0 | 113 | ||||
| 561 | S | 37.2 | Very low | 35.2 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | 159.3 | 150.4 | 117.7 | 53.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 562 | S | 37.7 | Very low | 34.9 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | 59.9 | 155.7 | 148.4 | 41.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 563 | Q | 36.7 | Very low | 34.3 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | cis | -163 | 127.5 | -15 | -101.7 | 159.1 | 4.7 | 0 | 0 | 104.8 | ||||
| 564 | S | 33.3 | Very low | 33.8 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 60.1 | 103.6 | 75.7 | 76.7 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 565 | T | 36.5 | Very low | 33.7 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -171.9 | 128.1 | 141.3 | 28.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 566 | H | 36.5 | Very low | 33.7 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | 61.8 | 135.8 | 74 | -86.2 | -104 | 0 | 0 | 0 | 115.2 | |||||
| 567 | S | 34.7 | Very low | 34 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | cis | -176.6 | 157.1 | -14.4 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 568 | A | 32.1 | Very low | 33.8 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 76% | 0.764 | S | S | * | * | trans | 78.7 | 167.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 569 | F | 32.8 | Very low | 33.7 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 103.7 | -178.1 | -60.7 | -83.3 | 0 | 0 | 0 | 115.4 | ||||
| 570 | Q | 33.1 | Very low | 33.4 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | 76.2 | 129.2 | 68.7 | -76.4 | -171.6 | -7.7 | 0 | 0 | 113.7 | |||||
| 571 | S | 29.8 | Very low | 33.2 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 44.2 | 141.9 | 145.8 | -50.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 572 | V | 33.3 | Very low | 33 | Very low | 144 Ų | 144 | 129.3 Ų | 129.3 | 87% | 0.873 | 75% | 0.751 | S | S | * | * | cis | -149.1 | -165.9 | 33.4 | -141.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 573 | A | 30.1 | Very low | 32.6 | Very low | 74 Ų | 74 | 133.1 Ų | 133.1 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | trans | -83.9 | -170.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 574 | F | 30.9 | Very low | 32.6 | Very low | 212 Ų | 212 | 128.8 Ų | 128.8 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 141.8 | -176.8 | -49.6 | -83.9 | 0 | 0 | 0 | 114.3 | ||||
| 575 | G | 33.2 | Very low | 32.8 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | cis | -175.6 | 166 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 576 | T | 32.6 | Very low | 32.8 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -76.5 | 145.5 | 173.9 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 577 | P | 37.5 | Very low | 32.8 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | -136.4 | 145.5 | 98.1 | 21.9 | -1.7 | 0 | 0 | 0 | 112 | |||||
| 578 | T | 29.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | 64.9 | 122.2 | 57.5 | 65.8 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 579 | T | 29.8 | Very low | 32.9 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 74.1 | 148 | 146.1 | 52.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 580 | S | 31.7 | Very low | 33.1 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 79.8 | 152.4 | 153.4 | 89.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 581 | N | 28.8 | Very low | 33.3 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | cis | -166.2 | -176.2 | -19.9 | -116.5 | -21.1 | 0 | 0 | 0 | 110 | ||||
| 582 | Y | 32.7 | Very low | 33.6 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 70.7 | 149.4 | 168.2 | -62.3 | -82.9 | 0 | 0 | 0 | 116.2 | ||||
| 583 | Q | 29.6 | Very low | 33.8 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | cis | 151.6 | 155.6 | -24.8 | -101.3 | -166.4 | -56.6 | 0 | 0 | 107.5 | ||||
| 584 | G | 37 | Very low | 34.1 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | 97.5 | 126.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 585 | G | 36.1 | Very low | 34.3 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | cis | 124.8 | 143.3 | 16.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 586 | L | 37.3 | Very low | 34.3 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | cis | -154 | 140.8 | 8.4 | -78.2 | 162.9 | 0 | 0 | 0 | 110.3 | ||||
| 587 | S | 35.3 | Very low | 34.4 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | 55.9 | 169.2 | 147.5 | -44.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 588 | Y | 34.2 | Very low | 34.5 | Very low | 205 Ų | 205 | 128.5 Ų | 128.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | cis | -130.6 | 135.2 | 4.8 | -111.1 | -104 | 0 | 0 | 0 | 107.6 | ||||
| 589 | V | 36.6 | Very low | 35.1 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | 66.9 | 131 | 97.9 | 169.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 590 | H | 36.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | cis | -154.6 | 163.4 | 23.9 | -155.5 | -138.6 | 0 | 0 | 0 | 114.5 | ||||
| 591 | H | 37 | Very low | 36 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 61% | 0.611 | 70% | 0.698 | S | S | * | * | trans | 50.1 | 118.3 | 161 | -81.5 | 3.9 | 0 | 0 | 0 | 121.2 | ||||
| 592 | Q | 36 | Very low | 36.6 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 64% | 0.64 | 70% | 0.702 | S | S | * | * | 79.4 | 109.3 | 77.4 | -79.9 | -165.9 | -69.3 | 0 | 0 | 114.5 | |||||
| 593 | Q | 37.3 | Very low | 36.8 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | 81.2 | 140.1 | 85.9 | -81.5 | -171.2 | -73.2 | 0 | 0 | 114.5 | |||||
| 594 | Q | 35.2 | Very low | 37.1 | Very low | 151 Ų | 151 | 118 Ų | 118 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | cis | -165.8 | 158.7 | -17.4 | -160.6 | 163 | -4.6 | 0 | 0 | 111.5 | ||||
| 595 | S | 36.3 | Very low | 36.9 | Very low | 95 Ų | 95 | 119 Ų | 119 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | trans | 59.9 | 104.5 | 154.1 | 47.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 596 | Q | 33.8 | Very low | 36.7 | Very low | 164 Ų | 164 | 122.4 Ų | 122.4 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | 44.7 | 165 | 126.2 | -95 | -148.6 | 26 | 0 | 0 | 123.4 | S637 | Q596-S637 VanDerWaalsContact C-OG 3.31Å; Q596-S637 VanDerWaalsContact O-CB 3.23Å; Q596-S637 WeakPolarHBondContact O-CB 3.16Å; Q596-S637 PolarHBondContact O-OG 3.08Å | |||
| 597 | P | 34.8 | Very low | 36.6 | Very low | 53 Ų | 53 | 119 Ų | 119 | 34% | 0.344 | 71% | 0.707 | S | S | . | * | cis | -138.6 | -116.3 | 9.3 | 42.2 | -17.2 | 0 | 0 | 0 | 113.5 | P636 S637 | P597-P636 HydrophobicContact CG-CB 4.04Å; P597-S637 VanDerWaalsContact CD-OG 3.23Å; P597-S637 WeakPolarHBondContact CD-OG 3.34Å; P597-S637 WeakPolarHBondContact CG-OG 3.49Å | ||
| 598 | T | 38.7 | Very low | 36.7 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 58% | 0.577 | 71% | 0.705 | S | S | * | * | trans | -51.6 | 148 | -174.3 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | Y635 | T598-Y635 WeakPolarHBondContact O-CD1 3.38Š| ||
| 599 | P | 42.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | trans | -132.8 | 138.2 | 146.3 | 36.7 | -23.3 | 0 | 0 | 0 | 114.9 | Y635 | P599-Y635 HydrophobicContact CB-CD2 4.02Å; P599-Y635 HydrophobicContact CB-CE2 3.86Å | ||
| 600 | S | 37.4 | Very low | 36.8 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 55% | 0.545 | 70% | 0.703 | S | S | . | * | trans | -89.2 | 147.5 | 153 | -41.9 | 0 | 0 | 0 | 0 | 108.8 | Y635 | S600-Y635 WeakPolarHBondContact CA-OH 3.24Å; S600-Y635 WeakPolarHBondContact CB-OH 3.27Å; S600-Y635 VanDerWaalsContact N-CZ 3.32Å; S600-Y635 PolarHBondContact N-OH 2.77Å; S600-Y635 WeakPolarHBondContact O-CE2 3.22Å; S600-Y635 PolarHBondContact O-OH 2.92Å; S600-Y635 VanDerWaalsContact O-OH 3.13Å; S600-Y635 PolarHBondContact OG-OH 3.36Å | ||
| 601 | V | 42.6 | Very low | 36.9 | Very low | 138 Ų | 138 | 116 Ų | 116 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | 26.6 | 111.7 | 159.9 | -163.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 602 | P | 41.5 | Very low | 36.7 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | -105.1 | 131.8 | 155.4 | 34.2 | -26.3 | 0 | 0 | 0 | 112.5 | ||||
| 603 | G | 36.9 | Very low | 36.7 | Very low | 74 Ų | 74 | 115.8 Ų | 115.8 | 76% | 0.763 | 72% | 0.716 | S | S | * | * | trans | -85.8 | 169.1 | 164 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 604 | A | 35.2 | Very low | 36.6 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -71.2 | 152.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 605 | A | 33.9 | Very low | 36.7 | Very low | 103 Ų | 103 | 115.8 Ų | 115.8 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | trans | -147.9 | 159.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 606 | V | 32.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 114.2 Ų | 114.2 | 86% | 0.861 | 72% | 0.716 | S | S | * | * | trans | -127.3 | 136.1 | -163.7 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 607 | A | 34.9 | Very low | 37.1 | Very low | 91 Ų | 91 | 115 Ų | 115 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | trans | -169.7 | 153.1 | 151 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 608 | S | 36.6 | Very low | 37.5 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -170.6 | 169.8 | -24.3 | -96.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 609 | N | 35.7 | Very low | 38 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 74.9 | 139.7 | 170.9 | -52.1 | -20.8 | 0 | 0 | 0 | 115.5 | ||||
| 610 | S | 38.5 | Very low | 37.8 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -161.1 | 142.8 | -1.4 | -111.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 611 | Q | 38 | Very low | 37.8 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 150.4 | 156.9 | -60 | 171.9 | 4.6 | 0 | 0 | 116.9 | ||||
| 612 | M | 33 | Very low | 37.4 | Very low | 149 Ų | 149 | 122.6 Ų | 122.6 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -160.1 | 178.5 | -18.7 | -95.9 | -173.7 | -64.9 | 0 | 0 | 105.6 | ||||
| 613 | V | 35.9 | Very low | 37.2 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 70% | 0.697 | 75% | 0.751 | S | S | * | * | cis | -143.8 | 120.9 | 14.8 | -178.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 614 | I | 35.1 | Very low | 37.1 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | 36.2 | 110.5 | 117.2 | -36.4 | 170.8 | 0 | 0 | 0 | 115.1 | |||||
| 615 | L | 38.2 | Very low | 37.1 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | -179.7 | 163.7 | 80.6 | -78.4 | 166.4 | 0 | 0 | 0 | 108.5 | |||||
| 616 | A | 38 | Very low | 37.1 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 52% | 0.521 | 73% | 0.725 | S | S | . | * | cis | -172.8 | 148.4 | -28.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 617 | Q | 40.2 | Very low | 37.4 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | 67.7 | 145.6 | 151.2 | -64.6 | 151.8 | 10.7 | 0 | 0 | 119 | ||||
| 618 | T | 43.3 | Very low | 37.4 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | cis | -154.5 | 162.3 | -1.6 | 4.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 619 | P | 47.9 | Very low | 37.4 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -123.9 | -133.4 | -167.1 | 44.1 | -28.3 | 0 | 0 | 0 | 114.4 | ||||
| 620 | I | 39.3 | Very low | 37.5 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | trans | 96.2 | 135.8 | 173.3 | -55.9 | 163.6 | 0 | 0 | 0 | 113.3 | ||||
| 621 | N | 37.5 | Very low | 37.4 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | cis | -128.9 | 143.8 | 2.9 | -105 | -35.8 | 0 | 0 | 0 | 107.9 | ||||
| 622 | C | 33.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | 67.5 | 136.8 | 52.5 | -65.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 623 | L | 36.7 | Very low | 37.2 | Very low | 142 Ų | 142 | 124 Ų | 124 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -129.7 | -153.8 | 8.4 | -62.6 | 89.1 | 0 | 0 | 0 | 110.1 | ||||
| 624 | Y | 34.4 | Very low | 37.1 | Very low | 175 Ų | 175 | 122.6 Ų | 122.6 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | cis | -163.7 | 136 | 2.2 | -147.9 | -151.7 | 0 | 0 | 0 | 113.5 | ||||
| 625 | Q | 35.4 | Very low | 36.9 | Very low | 145 Ų | 145 | 122 Ų | 122 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | trans | 51.3 | 146.8 | 130.7 | -77 | -168.4 | 4.9 | 0 | 0 | 125.6 | ||||
| 626 | S | 35.3 | Very low | 36.9 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | cis | -167.8 | 155.3 | -8.3 | -173.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 627 | S | 37.7 | Very low | 36.7 | Very low | 89 Ų | 89 | 118.5 Ų | 118.5 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | trans | 58 | 149.6 | 145.9 | 46.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 628 | N | 34.7 | Very low | 36.4 | Very low | 168 Ų | 168 | 112.7 Ų | 112.7 | 90% | 0.898 | 69% | 0.693 | S | S | * | * | cis | -161.4 | 160 | -11.8 | -86.4 | -19.7 | 0 | 0 | 0 | 105.3 | ||||
| 629 | G | 36.5 | Very low | 35.9 | Very low | 60 Ų | 60 | 113.2 Ų | 113.2 | 62% | 0.619 | 70% | 0.695 | S | S | * | * | cis | 162 | 161.4 | -2.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 630 | S | 37.5 | Very low | 35.1 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | trans | 63.6 | 148.1 | 170.4 | 70.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 631 | T | 36.5 | Very low | 34.7 | Very low | 139 Ų | 139 | 109.1 Ų | 109.1 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | cis | -149.8 | -171.1 | -4.7 | -5.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 632 | S | 33.3 | Very low | 34.4 | Very low | 107 Ų | 107 | 108.4 Ų | 108.4 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | trans | -108.8 | 159.9 | -156.9 | 60 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 633 | A | 33.2 | Very low | 34.4 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | trans | 93.6 | 139.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 634 | A | 34.8 | Very low | 34.1 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | 63.9 | 111.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 635 | Y | 30.6 | Very low | 34.2 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 48% | 0.482 | 70% | 0.7 | S | S | . | * | 15 | 152.1 | 104.5 | -66.4 | -55.5 | 0 | 0 | 0 | 119.7 | T598 P599 S600 | T598-Y635 WeakPolarHBondContact O-CD1 3.38Å; P599-Y635 HydrophobicContact CB-CD2 4.02Å; P599-Y635 HydrophobicContact CB-CE2 3.86Å; S600-Y635 WeakPolarHBondContact CA-OH 3.24Å; S600-Y635 WeakPolarHBondContact CB-OH 3.27Å; S600-Y635 VanDerWaalsContact N-CZ 3.32Å; S600-Y635 PolarHBondContact N-OH 2.77Å; S600-Y635 WeakPolarHBondContact O-CE2 3.22Å; S600-Y635 PolarHBondContact O-OH 2.92Å; S600-Y635 VanDerWaalsContact O-OH 3.13Å; S600-Y635 PolarHBondContact OG-OH 3.36Å | |||
| 636 | P | 38.3 | Very low | 34.1 | Very low | 81 Ų | 81 | 106 Ų | 106 | 53% | 0.526 | 70% | 0.698 | S | S | . | * | cis | -155.1 | -161.2 | -16.1 | 40.1 | -17.3 | 0 | 0 | 0 | 116.9 | P597 | P597-P636 HydrophobicContact CG-CB 4.04Š| ||
| 637 | S | 34.6 | Very low | 34 | Very low | 69 Ų | 69 | 110.2 Ų | 110.2 | 48% | 0.483 | 71% | 0.705 | S | S | . | * | trans | 79.6 | 144.6 | 152.3 | -124.2 | 0 | 0 | 0 | 0 | 122.5 | Q596 P597 | Q596-S637 VanDerWaalsContact C-OG 3.31Å; Q596-S637 VanDerWaalsContact O-CB 3.23Å; Q596-S637 WeakPolarHBondContact O-CB 3.16Å; Q596-S637 PolarHBondContact O-OG 3.08Å; P597-S637 VanDerWaalsContact CD-OG 3.23Å; P597-S637 WeakPolarHBondContact CD-OG 3.34Å; P597-S637 WeakPolarHBondContact CG-OG 3.49Å | ||
| 638 | G | 34.2 | Very low | 33.7 | Very low | 58 Ų | 58 | 113.4 Ų | 113.4 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | 104.8 | 60 | 103.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 639 | V | 32.6 | Very low | 33.8 | Very low | 139 Ų | 139 | 111 Ų | 111 | 84% | 0.842 | 70% | 0.704 | S | S | * | * | trans | 58.9 | 149.5 | 146.4 | -60.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 640 | S | 31 | Very low | 33.6 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | trans | 71.7 | 82.9 | 148.2 | 50 | 0 | 0 | 0 | 0 | 123 | ||||
| 641 | S | 30.9 | Very low | 33.5 | Very low | 87 Ų | 87 | 116 Ų | 116 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | 83 | 155.7 | 109.6 | 73.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 642 | T | 31.4 | Very low | 33.5 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | 92.8 | 113.4 | 159.6 | 65.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 643 | S | 31.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | trans | 53 | 131.1 | 141.7 | 57 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 644 | G | 32.2 | Very low | 34 | Very low | 78 Ų | 78 | 114.8 Ų | 114.8 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | trans | 174.9 | 42.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 645 | H | 36.5 | Very low | 34.1 | Very low | 177 Ų | 177 | 117 Ų | 117 | 82% | 0.819 | 69% | 0.687 | S | S | * | * | trans | 34 | 128.2 | 157.8 | -81.5 | -57.6 | 0 | 0 | 0 | 125.6 | ||||
| 646 | Q | 32.3 | Very low | 34.7 | Very low | 137 Ų | 137 | 117.2 Ų | 117.2 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | 100.8 | 129.9 | 128.8 | -81.4 | -171.7 | 38.2 | 0 | 0 | 124.8 | |||||
| 647 | K | 33.5 | Very low | 34.8 | Very low | 174 Ų | 174 | 118.5 Ų | 118.5 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | trans | 72.1 | 123.4 | 154.3 | -67.3 | 158.9 | 174.9 | 153.8 | 0 | 118.1 | ||||
| 648 | Q | 31.7 | Very low | 34.8 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | cis | 77.2 | 139.3 | 37.3 | -71.6 | -157.5 | -9.9 | 0 | 0 | 115.3 | ||||
| 649 | P | 37.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | -109.7 | 160.7 | 53.1 | 1 | 23 | 0 | 0 | 0 | 115.9 | |||||
| 650 | L | 31.5 | Very low | 34.7 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | 76.7 | 144.4 | 58.6 | -57 | 172 | 0 | 0 | 0 | 114.1 | |||||
| 651 | L | 34.9 | Very low | 34.7 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | cis | -129.4 | 154.8 | 14.8 | -78.3 | 86.1 | 0 | 0 | 0 | 111.2 | ||||
| 652 | S | 36.5 | Very low | 34.8 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | 75.8 | 132.3 | 48.2 | -151.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 653 | S | 40.7 | Very low | 34.9 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | cis | -163.7 | 176.6 | -5.5 | 37.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 654 | N | 37.1 | Very low | 34.9 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | 177.9 | 130.9 | 97.3 | -83.4 | -19.1 | 0 | 0 | 0 | 115.3 | |||||
| 655 | N | 37.3 | Very low | 35 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | 61.9 | 145.6 | 127.4 | -56.7 | -12.4 | 0 | 0 | 0 | 121.9 | |||||
| 656 | T | 43 | Very low | 35.1 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | cis | -157.2 | 169.4 | 5 | 8.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 657 | P | 39.3 | Very low | 35 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -130.2 | -140.2 | -145.4 | 44.4 | -27.9 | 0 | 0 | 0 | 115.6 | ||||
| 658 | I | 34.3 | Very low | 34.9 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | trans | 100.3 | 130.5 | 167.9 | -59.7 | 169.1 | 0 | 0 | 0 | 115.1 | ||||
| 659 | A | 33 | Very low | 35.2 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | cis | -167.5 | 169.5 | -17.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 660 | C | 32 | Very low | 34.8 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | 70 | 127.8 | 155.3 | -69.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 661 | Q | 32.1 | Very low | 35 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | 81.4 | 141 | 53.5 | -76.3 | -167.9 | 13.5 | 0 | 0 | 112.3 | |||||
| 662 | V | 32.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 60% | 0.6 | 73% | 0.728 | S | S | * | * | cis | -164.7 | 159.8 | 8.6 | 89 | 0 | 0 | 0 | 0 | 113 | ||||
| 663 | Q | 32.8 | Very low | 34.4 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | trans | 63.2 | 163.6 | 158.1 | -70.3 | 170.1 | 23.7 | 0 | 0 | 118.8 | ||||
| 664 | N | 32.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | cis | -151 | 143 | -16.2 | -118.7 | -20.1 | 0 | 0 | 0 | 112.6 | ||||
| 665 | I | 34.2 | Very low | 33.5 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 39.7 | 133.1 | 138.9 | -65.8 | 171.6 | 0 | 0 | 0 | 120.9 | ||||
| 666 | P | 39.4 | Very low | 33.1 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | trans | -100.1 | 176.5 | -174.1 | 41.6 | -38.4 | 0 | 0 | 0 | 114.9 | ||||
| 667 | C | 30.6 | Very low | 32.7 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | -153.8 | 151.4 | 149.4 | -117.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 668 | N | 31.4 | Very low | 32.4 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -52.4 | 154 | -179.7 | -43.6 | -50.9 | 0 | 0 | 0 | 115.8 | ||||
| 669 | S | 37.2 | Very low | 32.5 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | 170.6 | 104.8 | 102.3 | -71.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 670 | C | 28.6 | Very low | 32.4 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | 58.1 | -162.8 | 147.5 | -51.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 671 | P | 36.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | -131.9 | -148.2 | -109.4 | 41.8 | -20.6 | 0 | 0 | 0 | 113.8 | |||||
| 672 | V | 31.3 | Very low | 32.6 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | trans | 94 | 104.1 | 171 | -171 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 673 | S | 27.8 | Very low | 32.7 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | 39.7 | 166.7 | 126.3 | -45.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 674 | E | 29 | Very low | 32.6 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 81.4 | 148.2 | 159.8 | -57.8 | -165.2 | -154.6 | 0 | 0 | 118.5 | ||||
| 675 | T | 30 | Very low | 32.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | cis | -155.5 | 153.8 | -25.5 | -87.7 | 0 | 0 | 0 | 0 | 108.7 | T677 | T675-T677 PolarHBondContact O-N 2.73Š| ||
| 676 | T | 29 | Very low | 32.5 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -51.2 | 119.6 | 173.2 | -48.7 | 0 | 0 | 0 | 0 | 113.8 | N678 | T676-N678 PolarHBondContact O-N 3.48Š| ||
| 677 | T | 32.8 | Very low | 32.4 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -87.8 | 91.3 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | T675 | T675-T677 PolarHBondContact O-N 2.73Š| ||
| 678 | N | 33.1 | Very low | 32.5 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -83.9 | 125.1 | 165.2 | -179 | 24.8 | 0 | 0 | 0 | 109.5 | T676 N680 | T676-N678 PolarHBondContact O-N 3.48Å; N678-N680 PolarHBondContact O-N 3.03Å | ||
| 679 | P | 36.4 | Very low | 32.6 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | -78.4 | 101.2 | 175.9 | 30.8 | -32.4 | 0 | 0 | 0 | 110.7 | ||||
| 680 | N | 32.6 | Very low | 32.5 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 165.7 | 152.2 | 131.9 | -87.1 | -48.1 | 0 | 0 | 0 | 114.1 | N678 | N678-N680 PolarHBondContact O-N 3.03Š| ||
| 681 | S | 34.6 | Very low | 32.5 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 87.1 | 138.3 | 158.9 | 80.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 682 | V | 33.6 | Very low | 32.5 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | 65.8 | 125.2 | 165.7 | -160.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 683 | G | 33.3 | Very low | 32.5 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 165.8 | 55.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 684 | L | 30.6 | Very low | 32.8 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -16 | 125.2 | 170.3 | -67.2 | 159.5 | 0 | 0 | 0 | 118.5 | ||||
| 685 | I | 34.8 | Very low | 33.1 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -144.6 | 153.7 | 138.6 | 18.2 | 172.9 | 0 | 0 | 0 | 110.5 | ||||
| 686 | T | 31.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -114 | 133.3 | -160.9 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 687 | S | 35.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -163.6 | 147.3 | 147.8 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 688 | E | 32.9 | Very low | 33.8 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 158.7 | 179.9 | -60.4 | 152 | 102.7 | 0 | 0 | 112.7 | ||||
| 689 | F | 33.7 | Very low | 33.9 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 77% | 0.772 | 79% | 0.791 | S | S | * | * | -178.7 | 139 | 107.4 | -111.6 | -98.3 | 0 | 0 | 0 | 113.8 | |||||
| 690 | Q | 34.5 | Very low | 33.7 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | trans | 25.7 | 112.4 | 159.6 | -94 | 62.7 | -8.4 | 0 | 0 | 122.9 | ||||
| 691 | M | 29.8 | Very low | 33.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 77% | 0.768 | 80% | 0.796 | S | S | * | * | 27.2 | 132.1 | 123.5 | -61.4 | -168.2 | -70.2 | 0 | 0 | 121.9 | |||||
| 692 | M | 35.5 | Very low | 33.5 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | -159.2 | 147.9 | 116.7 | -112.3 | 178.1 | -71.3 | 0 | 0 | 112 | |||||
| 693 | T | 31.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -138.6 | 127.8 | -170.3 | 50.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 694 | F | 35 | Very low | 33.4 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 96% | 0.956 | 79% | 0.79 | S | S | * | * | trans | -153.7 | 146.7 | 158 | -71.8 | -79.7 | 0 | 0 | 0 | 108.1 | ||||
| 695 | G | 34.7 | Very low | 33.4 | Very low | 63 Ų | 63 | 136.2 Ų | 136.2 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | 146.8 | 139.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 696 | S | 37.9 | Very low | 33.3 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | 77.7 | 149.6 | 173.9 | -46.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 697 | N | 35.6 | Very low | 33.3 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | cis | -166.5 | 145.3 | -15.5 | -106.7 | -16.2 | 0 | 0 | 0 | 112 | ||||
| 698 | S | 33.7 | Very low | 33.2 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 51.4 | 158.7 | 144.2 | -109.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 699 | M | 34.8 | Very low | 32.9 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | cis | -133.7 | 172.5 | 5.6 | -64.8 | -168.8 | 83.4 | 0 | 0 | 112.5 | ||||
| 700 | T | 31.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -113.6 | 153.8 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 701 | N | 31.1 | Very low | 32.6 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -169.8 | 126.6 | 136 | -93.2 | -19.4 | 0 | 0 | 0 | 108.1 | ||||
| 702 | A | 31.6 | Very low | 32.6 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 69.2 | 136.3 | 74.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 703 | S | 32 | Very low | 32.4 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | cis | -166.3 | 151.3 | -3.2 | 42.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 704 | S | 33.5 | Very low | 32.2 | Very low | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | -177.2 | 141.7 | 62.1 | 35 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 705 | S | 30 | Very low | 32 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | 78.3 | 98 | 53.6 | 80.1 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 706 | H | 34.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | 168.3 | 142.8 | 139 | -88.8 | -58.9 | 0 | 0 | 0 | 109.3 | ||||
| 707 | S | 30 | Very low | 31.6 | Very low | 76 Ų | 76 | 124.4 Ų | 124.4 | 53% | 0.531 | 74% | 0.736 | S | S | . | * | cis | 156.7 | 140.9 | -35.5 | 54.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 708 | N | 33.3 | Very low | 31.5 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | 102.9 | 108.8 | 165.5 | -49.8 | -22.1 | 0 | 0 | 0 | 114.6 | ||||
| 709 | L | 28 | Very low | 31.4 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | cis | 88.4 | 141 | 31.3 | -156.1 | 166.9 | 0 | 0 | 0 | 112.1 | ||||
| 710 | V | 30.6 | Very low | 31.2 | Very low | 113 Ų | 113 | 123 Ų | 123 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | trans | 128.5 | 103.1 | 160.2 | 172.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 711 | T | 31.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | trans | 60.9 | 150.1 | 147.3 | 60.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 712 | D | 29.9 | Very low | 30.9 | Very low | 128 Ų | 128 | 125 Ų | 125 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | cis | -159.5 | 148.9 | -5.1 | -110.8 | -13.4 | 0 | 0 | 0 | 116.1 | ||||
| 713 | I | 29.5 | Very low | 30.7 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 68% | 0.677 | 73% | 0.727 | S | S | * | * | trans | 50.5 | 110.7 | 136.3 | -60.6 | 165.5 | 0 | 0 | 0 | 122.6 | ||||
| 714 | S | 28.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | 66.9 | 146.3 | 145.4 | 80.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 715 | S | 30.9 | Very low | 30.5 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | cis | -152.7 | 155.2 | 22.2 | -65.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 716 | C | 29.7 | Very low | 30.4 | Very low | 101 Ų | 101 | 132 Ų | 132 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | 27.9 | 123.2 | 154.5 | -58.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 717 | E | 33.3 | Very low | 30.2 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | 76.6 | 144.1 | 61.4 | -69.9 | 169.7 | 102.7 | 0 | 0 | 114.8 | |||||
| 718 | T | 33.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -116.1 | 145.5 | 1.6 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 719 | Q | 31.3 | Very low | 30 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | 69.4 | 144 | 51.1 | -58.1 | -160.6 | 32 | 0 | 0 | 113.1 | |||||
| 720 | E | 32.4 | Very low | 30 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | cis | -139.9 | 161.7 | 25 | -69.3 | 178.8 | 141.6 | 0 | 0 | 111.7 | ||||
| 721 | W | 29.3 | Very low | 30 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | cis | -140.9 | 146.4 | -15.2 | -86.8 | -43.1 | 0 | 0 | 0 | 108.3 | ||||
| 722 | S | 26.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -164 | 87.8 | 165.5 | -79.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 723 | N | 27.6 | Very low | 30 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | trans | 163.3 | 139.7 | 151.7 | -90.3 | -28 | 0 | 0 | 0 | 110.8 | ||||
| 724 | V | 30.3 | Very low | 30 | Very low | 149 Ų | 149 | 137 Ų | 137 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | trans | 174.8 | 144.6 | 130.5 | 152.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 725 | G | 29.7 | Very low | 30.1 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 92.3 | 70 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 726 | N | 28.9 | Very low | 29.9 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 124.4 | 149.9 | -88.7 | -44.1 | 0 | 0 | 0 | 109.5 | ||||
| 727 | Q | 30.8 | Very low | 29.9 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | -178.5 | 145.7 | 126.5 | -105.1 | -178.1 | 66.5 | 0 | 0 | 114.3 | |||||
| 728 | K | 30.8 | Very low | 29.7 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 62.8 | 148.6 | 169.2 | -67.3 | -171.8 | 177.4 | -179.7 | 0 | 118.2 | ||||
| 729 | L | 27.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | cis | -169.7 | 130.4 | -42.1 | -129.4 | 166.7 | 0 | 0 | 0 | 107.8 | ||||
| 730 | C | 28.3 | Very low | 29.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | trans | 161.4 | 123.5 | 134.9 | -90.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 731 | S | 31 | Very low | 29.4 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 47.2 | 126.4 | 136.4 | -56.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 732 | L | 32.3 | Very low | 29.5 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | cis | -148.9 | 159.2 | 14 | -110.9 | 156.9 | 0 | 0 | 0 | 111.7 | ||||
| 733 | N | 28.4 | Very low | 29.5 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -95.3 | 152.9 | -165.1 | -83.6 | -33.1 | 0 | 0 | 0 | 115.5 | ||||
| 734 | S | 28.8 | Very low | 29.5 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -8.9 | 140.1 | 142.6 | -46.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 735 | V | 32.3 | Very low | 29.3 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -128.5 | 119.1 | 150.5 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 736 | N | 25.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 141 Ų | 141 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -93.3 | 175.6 | 161.6 | -84.8 | -42.9 | 0 | 0 | 0 | 108.6 | ||||
| 737 | T | 30.6 | Very low | 29.4 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 62 | 155 | 165.2 | 42.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 738 | S | 29.5 | Very low | 29.3 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | cis | -168.3 | 171.5 | -36 | 46.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 739 | E | 30.9 | Very low | 29.3 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | 51.3 | 102.2 | 153.5 | -76.4 | 167.1 | 123.6 | 0 | 0 | 119.5 | ||||
| 740 | S | 30.4 | Very low | 29.5 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | 58.7 | 132.2 | 124.1 | 61.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 741 | D | 28.6 | Very low | 29.4 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 98.9 | 146 | 130.5 | -89.6 | -38 | 0 | 0 | 0 | 122.5 | ||||
| 742 | L | 32.3 | Very low | 29.5 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 53.6 | 101.6 | 161.1 | -89.3 | 71.7 | 0 | 0 | 0 | 120.6 | ||||
| 743 | A | 26.4 | Very low | 29.5 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | 74.6 | 126.3 | 105.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 744 | Y | 27 | Very low | 29.7 | Very low | 205 Ų | 205 | 133.5 Ų | 133.5 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 79.7 | 137.2 | 141.5 | -86.1 | -124.9 | 0 | 0 | 0 | 120.7 | ||||
| 745 | Q | 26 | Very low | 29.6 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 55.5 | 101.5 | 148.8 | -66.8 | 175.4 | -7.4 | 0 | 0 | 119.8 | ||||
| 746 | T | 31.8 | Very low | 29.7 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | -128.2 | 96.6 | 137.2 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 747 | S | 29.2 | Very low | 29.9 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -79.3 | 141.6 | 162.4 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 748 | S | 28.7 | Very low | 30 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 10.7 | 129.9 | 150.4 | 58.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 749 | V | 29.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | trans | -164.3 | 122.4 | 134.5 | 123.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 750 | L | 31 | Very low | 30.4 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | 58.7 | 146.1 | 152.9 | -55.8 | 178.4 | 0 | 0 | 0 | 120.3 | ||||
| 751 | Q | 28.1 | Very low | 30.4 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -163.6 | -179.1 | -26.4 | -139.2 | 172.3 | 4.7 | 0 | 0 | 109.1 | ||||
| 752 | N | 32.3 | Very low | 30.5 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | 90.6 | 115.4 | -177.2 | -57.2 | -19.2 | 0 | 0 | 0 | 115.6 | ||||
| 753 | S | 31.2 | Very low | 30.3 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 57% | 0.566 | 76% | 0.762 | S | S | * | * | cis | 176.6 | 157.7 | -41.5 | -88.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 754 | H | 33.1 | Very low | 30.4 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 69.2 | 99.5 | -171.3 | -54.4 | -76.9 | 0 | 0 | 0 | 112.8 | ||||
| 755 | E | 28.1 | Very low | 30.3 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | cis | 67.9 | 118.6 | 30.9 | -135.7 | 178.2 | 143.1 | 0 | 0 | 110.8 | ||||
| 756 | L | 33 | Very low | 30.4 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | -127.9 | 169.1 | 65.4 | -76.3 | 161.3 | 0 | 0 | 0 | 116 | |||||
| 757 | T | 29.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -127.4 | 154.2 | -168 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 758 | S | 33.6 | Very low | 30.1 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | -168.9 | 107.8 | 151 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 759 | S | 33 | Very low | 30 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -7.8 | 139.2 | 143.4 | 45.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 760 | D | 35.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | -146.3 | 167.2 | 51.5 | -99.1 | -43.7 | 0 | 0 | 0 | 114.6 | |||||
| 761 | G | 29.9 | Very low | 29.9 | Very low | 62 Ų | 62 | 134.2 Ų | 134.2 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | -107.9 | 151.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 762 | N | 30.9 | Very low | 30.1 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -156 | 161.4 | 130.4 | -116 | -55.7 | 0 | 0 | 0 | 115.2 | ||||
| 763 | V | 28.2 | Very low | 29.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | -72.2 | 148.7 | -166.8 | -169.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 764 | V | 29.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 135 Ų | 135 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | 152.7 | 121.1 | 125.1 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | T766 | V764-T766 HydrophobicContact CB-CG2 4.29Å; V764-T766 HydrophobicContact CG1-CG2 3.56Å; V764-T766 PolarHBondContact O-N 3.15Å; V764-T766 VanDerWaalsContact O-N 3.07Å | |||
| 765 | Y | 24.5 | Very low | 29.5 | Very low | 241 Ų | 241 | 132.9 Ų | 132.9 | 95% | 0.945 | 76% | 0.764 | S | S | * | * | trans | -69 | 96.2 | 158.8 | -80.7 | -88.6 | 0 | 0 | 0 | 109.1 | T767 | Y765-T767 PolarHBondContact O-N 3.4Š| ||
| 766 | T | 28.2 | Very low | 29.5 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | trans | -82 | 112.3 | -176.2 | 42 | 0 | 0 | 0 | 0 | 111.6 | V764 T768 | V764-T766 HydrophobicContact CB-CG2 4.29Å; V764-T766 HydrophobicContact CG1-CG2 3.56Å; V764-T766 PolarHBondContact O-N 3.15Å; V764-T766 VanDerWaalsContact O-N 3.07Å; T766-T768 VanDerWaalsContact C-N 3.29Å; T766-T768 PolarHBondContact O-N 3.12Å | ||
| 767 | T | 25.6 | Very low | 29.1 | Very low | 151 Ų | 151 | 129 Ų | 129 | 93% | 0.926 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 88.8 | 155.4 | -60.6 | 0 | 0 | 0 | 0 | 107.7 | Y765 A769 | Y765-T767 PolarHBondContact O-N 3.4Å; T767-A769 PolarHBondContact O-N 3.27Å | ||
| 768 | T | 29.4 | Very low | 29 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 64% | 0.638 | 77% | 0.768 | S | S | * | * | trans | -77.8 | 106.5 | -179.5 | 32.2 | 0 | 0 | 0 | 0 | 111.8 | T766 T770 | T766-T768 VanDerWaalsContact C-N 3.29Å; T766-T768 PolarHBondContact O-N 3.12Å; T768-T770 PolarHBondContact O-N 3.39Å | ||
| 769 | A | 26.2 | Very low | 28.9 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -72 | 114.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | T767 Q771 | T767-A769 PolarHBondContact O-N 3.27Å; A769-Q771 PolarHBondContact O-N 3.35Å | ||
| 770 | T | 31.1 | Very low | 28.6 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 83 | -175.8 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | T768 | T768-T770 PolarHBondContact O-N 3.39Š| ||
| 771 | Q | 27.5 | Very low | 28.4 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -89.8 | 90 | 144.8 | -78.6 | -172.4 | -20 | 0 | 0 | 108.1 | A769 T773 | A769-Q771 PolarHBondContact O-N 3.35Å; Q771-T773 PolarHBondContact O-N 3.43Å | ||
| 772 | N | 32 | Very low | 28.4 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -90.8 | 88.3 | 173.6 | -82.6 | 21.2 | 0 | 0 | 0 | 110.2 | I774 | N772-I774 PolarHBondContact O-N 2.84Š| ||
| 773 | T | 27.1 | Very low | 28.5 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69 | 119.7 | 154.8 | -57.8 | 0 | 0 | 0 | 0 | 107.7 | Q771 | Q771-T773 PolarHBondContact O-N 3.43Š|
| 774 | I | 31.1 | Very low | 28.5 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 123 | 165.7 | -65.5 | -179.4 | 0 | 0 | 0 | 107.8 | N772 V776 | N772-I774 PolarHBondContact O-N 2.84Å; I774-V776 PolarHBondContact O-N 3Å |
| 775 | T | 26.2 | Very low | 28.6 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 122.8 | -180 | -18.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 776 | V | 27.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -119.9 | 133.8 | 152.3 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | I774 N778 | I774-V776 PolarHBondContact O-N 3Å; V776-N778 PolarHBondContact O-N 2.72Å; V776-N778 VanDerWaalsContact O-N 3.15Å | ||
| 777 | S | 24.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -64.2 | 111.5 | -171.4 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 778 | N | 26.7 | Very low | 28.9 | Very low | 162 Ų | 162 | 129.6 Ų | 129.6 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | -122.2 | 106.4 | 156.8 | -94.8 | -16 | 0 | 0 | 0 | 108.6 | V776 | V776-N778 PolarHBondContact O-N 2.72Å; V776-N778 VanDerWaalsContact O-N 3.15Å | ||
| 779 | T | 30.6 | Very low | 29 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | trans | -61.5 | 165.4 | 156.7 | 41.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 780 | A | 27.8 | Very low | 29.1 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -56.9 | 161 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 781 | E | 30.4 | Very low | 29.3 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | cis | -154.2 | 150.9 | 43.3 | -74.9 | -169.7 | 82.8 | 0 | 0 | 116.1 | ||||
| 782 | Q | 30.4 | Very low | 29.4 | Very low | 145 Ų | 145 | 130 Ų | 130 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | 60.7 | 155 | 139.1 | -67.3 | -175.3 | 46.4 | 0 | 0 | 123.4 | ||||
| 783 | N | 32.8 | Very low | 29.2 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | 78.4 | 74.2 | 153.5 | -59.6 | -24.1 | 0 | 0 | 0 | 121.4 | ||||
| 784 | D | 28.6 | Very low | 29.5 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | 59.5 | 151.5 | 107.3 | -97.4 | -56.5 | 0 | 0 | 0 | 125.6 | |||||
| 785 | T | 32.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 63% | 0.632 | 77% | 0.772 | S | S | * | * | trans | 69.6 | 108.7 | 151.9 | 47.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 786 | Q | 30.4 | Very low | 29.4 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | 68.6 | 151.2 | 123.6 | -63.6 | -171.8 | 15.3 | 0 | 0 | 120.1 | |||||
| 787 | C | 27.5 | Very low | 29.4 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | -156.4 | 156.8 | -11.3 | -120.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 788 | C | 26.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 137 Ų | 137 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 8.8 | 124.3 | 155 | -55.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 789 | S | 30.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | -161.2 | 162 | 131.2 | -88.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 790 | N | 27.2 | Very low | 30.2 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65 | 156 | -169.1 | -50.4 | -55.4 | 0 | 0 | 0 | 115.2 | ||
| 791 | P | 35.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 116.9 | 144.1 | 32.9 | -26.2 | 0 | 0 | 0 | 110.8 | ||
| 792 | V | 30.7 | Very low | 30.9 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 173.3 | 157.4 | 170 | 0 | 0 | 0 | 0 | 108.2 | ||
| 793 | Q | 26.9 | Very low | 30.9 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -30.9 | 136 | 174.3 | -56.5 | 156.3 | -88.3 | 0 | 0 | 114.6 | ||||
| 794 | E | 32.9 | Very low | 31.1 | Very low | 199 Ų | 199 | 140 Ų | 140 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -149.1 | 173 | 131.9 | -133.1 | 164.3 | -155.6 | 0 | 0 | 112.8 | ||||
| 795 | K | 28 | Very low | 31.3 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -144.3 | 158.2 | -166.3 | -175 | -160.6 | 176 | -169 | 0 | 106.5 | ||||
| 796 | I | 27.3 | Very low | 31.3 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | 89.2 | 111 | 169.9 | -50.8 | 177.3 | 0 | 0 | 0 | 115.1 | ||||
| 797 | S | 28.6 | Very low | 31.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 43.1 | 128.8 | 142 | -48.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 798 | S | 33.7 | Very low | 31.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -148.7 | 114.3 | 148.6 | -59.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 799 | S | 34.6 | Very low | 32 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | cis | 99.1 | 93.9 | 48.3 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 800 | D | 30.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 130.9 | 162 | -75.7 | -56.4 | 0 | 0 | 0 | 109.4 | ||||
| 801 | L | 35.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -120.7 | 122 | 176 | -87.3 | 169 | 0 | 0 | 0 | 109.6 | ||||
| 802 | T | 37.1 | Very low | 32.2 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | trans | -125.3 | 122.1 | 157 | 48.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 803 | N | 30 | Very low | 32.3 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -63.6 | 151.7 | -178.9 | -56.9 | -80.4 | 0 | 0 | 0 | 112 | ||||
| 804 | L | 37.4 | Very low | 32.5 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | -159.5 | 144.5 | 112.6 | -104.8 | 164.7 | 0 | 0 | 0 | 111.5 | |||||
| 805 | S | 32.6 | Very low | 32.3 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -83.6 | 142.9 | -178.4 | 50.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 806 | G | 33.4 | Very low | 32.3 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 74% | 0.741 | S | S | * | * | trans | -162.7 | 57.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 807 | L | 34.9 | Very low | 32.5 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 11.7 | 126.4 | 162.2 | -69.6 | 169.8 | 0 | 0 | 0 | 120.7 | ||||
| 808 | S | 33.6 | Very low | 33.1 | Very low | 90 Ų | 90 | 126.7 Ų | 126.7 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | 69.3 | 128.5 | 129.5 | 72.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 809 | N | 31.4 | Very low | 33.1 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | 58.4 | 141.3 | 122.8 | -60.5 | 37.3 | 0 | 0 | 0 | 117.9 | |||||
| 810 | E | 34.7 | Very low | 33.3 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | cis | 177.9 | -176.2 | 9.2 | -111.7 | 166.8 | 157.9 | 0 | 0 | 103.5 | ||||
| 811 | E | 32.4 | Very low | 33.6 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | cis | -146.2 | 152.3 | 1.9 | -137.5 | -165.9 | 111.7 | 0 | 0 | 108.8 | ||||
| 812 | F | 31.1 | Very low | 33.5 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | trans | 58.4 | 127.1 | 146.5 | -83.6 | -146.5 | 0 | 0 | 0 | 120.5 | I815 | F812-I815 HydrophobicContact CE1-CD1 4.49Š| ||
| 813 | N | 30.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | 67.1 | 124.9 | 59.8 | -61.1 | -33.7 | 0 | 0 | 0 | 114.3 | I815 | N813-I815 HydrophobicContact CB-CD1 4.42Å; N813-I815 HydrophobicContact CB-CG1 4.45Å | |||
| 814 | V | 31.4 | Very low | 33.3 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | -141 | 115.2 | 126.1 | 151.8 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 815 | I | 28.6 | Very low | 32.8 | Very low | 111 Ų | 111 | 121 Ų | 121 | 57% | 0.569 | 71% | 0.71 | S | S | * | * | 71.6 | 124.2 | 64.9 | -66.5 | 167.8 | 0 | 0 | 0 | 108.6 | F812 N813 | F812-I815 HydrophobicContact CE1-CD1 4.49Å; N813-I815 HydrophobicContact CB-CD1 4.42Å; N813-I815 HydrophobicContact CB-CG1 4.45Å | |||
| 816 | T | 28.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | cis | -155.6 | 158.8 | 16.2 | 16.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 817 | S | 31.9 | Very low | 32.3 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | 63 | 165.7 | 69.2 | -30.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 818 | P | 41.4 | Very low | 31.8 | Very low | 102 Ų | 102 | 122 Ų | 122 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | cis | -148.9 | 175.7 | 18.1 | 45.6 | -26.2 | 0 | 0 | 0 | 119.9 | ||||
| 819 | N | 33.6 | Very low | 31.5 | Very low | 152 Ų | 152 | 122.4 Ų | 122.4 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | 64.5 | 164.1 | 147.3 | -70 | -19 | 0 | 0 | 0 | 119.8 | ||||
| 820 | P | 38.6 | Very low | 31.2 | Very low | 118 Ų | 118 | 121.2 Ų | 121.2 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | cis | -113.9 | -175.7 | -9.2 | 42.7 | -30.8 | 0 | 0 | 0 | 111.4 | ||||
| 821 | S | 36.6 | Very low | 30.7 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | cis | -167.2 | 149.7 | -12.8 | 35.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 822 | N | 33.7 | Very low | 30.4 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | 64.7 | 152.5 | 154 | -58.7 | -7.9 | 0 | 0 | 0 | 121 | ||||
| 823 | H | 30.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | cis | 173.6 | 147.5 | -45.2 | -111.9 | -68.4 | 0 | 0 | 0 | 107.3 | ||||
| 824 | S | 31 | Very low | 30.1 | Very low | 110 Ų | 110 | 121.7 Ų | 121.7 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | 66.2 | 158.4 | 158.7 | 77.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 825 | S | 28.4 | Very low | 29.9 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | cis | -175.1 | 166.8 | -27.5 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 826 | V | 28.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 64.9 | 108.2 | 147.4 | 168.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 827 | S | 26.4 | Very low | 30.3 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | 46.5 | 136.4 | 124.2 | -40.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 828 | N | 24.6 | Very low | 30.2 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | 75.7 | 146.1 | 137.6 | -67.9 | -6 | 0 | 0 | 0 | 122 | ||||
| 829 | S | 26.7 | Very low | 29.9 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 81.9 | 102.5 | 153.6 | -162.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 830 | T | 25.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | 29.2 | 138 | 115.6 | 7.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 831 | Y | 24.4 | Very low | 29.7 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | trans | 92.7 | 122.5 | 143.7 | -72.2 | -51.2 | 0 | 0 | 0 | 121.9 | ||||
| 832 | L | 25.8 | Very low | 29.3 | Very low | 138 Ų | 138 | 130 Ų | 130 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | trans | 80.6 | 104.7 | 134.4 | -66.4 | 169.6 | 0 | 0 | 0 | 122.4 | ||||
| 833 | T | 25.6 | Very low | 29.3 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | 67.5 | 144.2 | 127.1 | 58 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 834 | G | 29.6 | Very low | 29.2 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | 131.9 | 70.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 835 | N | 27.8 | Very low | 29.4 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | 52.2 | 106.4 | 92.1 | -76.5 | -1.1 | 0 | 0 | 0 | 116.4 | |||||
| 836 | H | 35.9 | Very low | 29.3 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 173.2 | 146.6 | 143.8 | -90.5 | -64.8 | 0 | 0 | 0 | 108.4 | ||||
| 837 | H | 29.7 | Very low | 29.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 61% | 0.611 | 75% | 0.748 | S | S | * | * | cis | -166.2 | 163.5 | -28.7 | -145.8 | -101.3 | 0 | 0 | 0 | 108.5 | ||||
| 838 | F | 30.7 | Very low | 29.5 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | 69.7 | 132.9 | 176.3 | -57.4 | -75.3 | 0 | 0 | 0 | 116.6 | ||||
| 839 | S | 34 | Very low | 29.6 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | cis | -144.4 | 142.8 | -1.9 | -82.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 840 | S | 34.1 | Very low | 29.7 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 25.7 | 139.9 | 139.2 | -48.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 841 | S | 34.3 | Very low | 29.8 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | 169.2 | 162.9 | 5.3 | 49.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 842 | N | 28.3 | Very low | 30.3 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | cis | -166.7 | 174.1 | -0.9 | -120.1 | 7.6 | 0 | 0 | 0 | 109.4 | ||||
| 843 | L | 34.3 | Very low | 30.6 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | trans | 62.9 | 117.1 | 171.8 | -83.3 | 68.8 | 0 | 0 | 0 | 114.8 | ||||
| 844 | E | 27.7 | Very low | 30.8 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | cis | 67.6 | 123.8 | 49.9 | -55 | 171.3 | 98.7 | 0 | 0 | 114.1 | ||||
| 845 | V | 34.7 | Very low | 30.8 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | -170.3 | 145.5 | 101.3 | 147.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 846 | N | 27.4 | Very low | 30.9 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -33.4 | 144.6 | 172.9 | -46.7 | -61.4 | 0 | 0 | 0 | 116.8 | ||||
| 847 | G | 30.1 | Very low | 30.6 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -163.5 | 68.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 848 | S | 28.5 | Very low | 30.6 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | -58 | 146.1 | -177 | -53.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 849 | S | 27.7 | Very low | 30.5 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | trans | 74.1 | 162.4 | 140.8 | 72.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 850 | N | 27.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 119.7 Ų | 119.7 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 74.1 | 92.8 | 157.8 | -56.8 | -22.2 | 0 | 0 | 0 | 119.2 | ||||
| 851 | S | 27.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | 41.5 | 118.8 | 121.6 | 66.2 | 0 | 0 | 0 | 0 | 120 | |||||
| 852 | A | 34.8 | Very low | 29.7 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -144 | 71.9 | 134.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y854 | A852-Y854 PolarHBondContact O-N 3.24Å; A852-Y854 VanDerWaalsContact O-N 3.15Å | ||
| 853 | D | 30.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | -68.6 | 100.5 | 161.3 | -132.6 | -65.6 | 0 | 0 | 0 | 108 | Q855 | D853-Q855 PolarHBondContact OD1-NE2 3.38Š| ||
| 854 | Y | 30.6 | Very low | 29.6 | Very low | 210 Ų | 210 | 131 Ų | 131 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -141.8 | 95.8 | 166.6 | -104.4 | -87.8 | 0 | 0 | 0 | 106.8 | A852 | A852-Y854 PolarHBondContact O-N 3.24Å; A852-Y854 VanDerWaalsContact O-N 3.15Å | ||
| 855 | Q | 30.8 | Very low | 29.8 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | 65.9 | 163.1 | 27.9 | -136.6 | -167.4 | 99.1 | 0 | 0 | 112.9 | D853 | D853-Q855 PolarHBondContact OD1-NE2 3.38Š| ||
| 856 | S | 29 | Very low | 29.6 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | 69.8 | 145.2 | -162.4 | 87.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 857 | S | 29.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | cis | -151.3 | 144.2 | -19.2 | 42.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 858 | A | 29 | Very low | 29.8 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | cis | 77.6 | 85.6 | 32.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 859 | S | 30.6 | Very low | 29.7 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -165.1 | 86 | 165.8 | -80.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 860 | S | 27.3 | Very low | 29.8 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | cis | 63.1 | 102.1 | 35.4 | -157.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 861 | S | 30.9 | Very low | 30 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -167.1 | 78.5 | 169.5 | -77.9 | 0 | 0 | 0 | 0 | 105 | ||||
| 862 | Q | 27.2 | Very low | 30 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | 47 | 85.8 | 68.9 | -72.1 | -159.7 | -2.5 | 0 | 0 | 113.5 | |||||
| 863 | R | 28 | Very low | 29.7 | Very low | 237 Ų | 237 | 143.7 Ų | 143.7 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -174 | 133.5 | 143.4 | -102.4 | 169.7 | -167.6 | -142.2 | 5.7 | 108.6 | ||||
| 864 | K | 31.7 | Very low | 29.6 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | cis | -166.2 | 123.3 | -27.7 | -132.2 | 177.2 | -176.3 | -179.9 | 0 | 106 | K866 | K864-K866 PolarHBondContact O-N 2.88Š| ||
| 865 | N | 31.5 | Very low | 29.4 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -65.7 | 135.2 | 165.6 | -84.1 | 7.5 | 0 | 0 | 0 | 108.4 | ||||
| 866 | K | 32 | Very low | 29.4 | Very low | 198 Ų | 198 | 134.9 Ų | 134.9 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -139.3 | 118.5 | 159.1 | -167 | 176.6 | 179.5 | -173.6 | 0 | 111 | K864 | K864-K866 PolarHBondContact O-N 2.88Š| ||
| 867 | I | 30.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -69.7 | 137.3 | 174.5 | -63.2 | 150.1 | 0 | 0 | 0 | 110.4 | ||||
| 868 | T | 30.7 | Very low | 29.3 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | -165.8 | 118.1 | 132.4 | 33.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 869 | D | 27 | Very low | 29.4 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | 57.5 | 106.8 | 78.1 | -85.4 | -59.2 | 0 | 0 | 0 | 112.1 | |||||
| 870 | K | 29.5 | Very low | 29.3 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 74% | 0.735 | 74% | 0.735 | S | S | * | * | -174.2 | 152.9 | 77.2 | -106.2 | 162.2 | -178.8 | 176.6 | 0 | 113.8 | |||||
| 871 | H | 31.4 | Very low | 29.3 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 60% | 0.602 | 74% | 0.739 | S | S | * | * | trans | 63.5 | 123.7 | 144.5 | -69.5 | -39.7 | 0 | 0 | 0 | 118.9 | ||||
| 872 | R | 27.6 | Very low | 29.3 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 73% | 0.725 | 74% | 0.74 | S | S | * | * | 82.8 | 146.3 | 96.9 | -71.1 | -177.7 | 137.2 | 137.9 | -1.5 | 113.4 | |||||
| 873 | D | 28.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | cis | -152 | 177.6 | -8.1 | -111.3 | -23 | 0 | 0 | 0 | 108.6 | ||||
| 874 | S | 28.7 | Very low | 29.6 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | 16.4 | 145.9 | 136.3 | -47.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 875 | S | 26.8 | Very low | 29.6 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | cis | 165.9 | 151.8 | -6.4 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 876 | S | 29.4 | Very low | 29.6 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 59.7 | -172 | 150.5 | 76.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 877 | S | 30.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | trans | 61.7 | 110.2 | -174.2 | 23.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 878 | N | 27.7 | Very low | 29.5 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | 67.2 | 132.5 | 73 | -57 | -16.3 | 0 | 0 | 0 | 110.9 | |||||
| 879 | S | 29.6 | Very low | 29.5 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | cis | -163 | 146.7 | 37.4 | 62.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 880 | T | 28.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | 60 | 104.4 | 123.8 | -52.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 881 | V | 28.5 | Very low | 29.9 | Very low | 116 Ų | 116 | 123 Ų | 123 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | 52.5 | 114.9 | 127.3 | -175.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 882 | C | 30.8 | Very low | 30.3 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | 177.8 | 147.2 | 120.2 | -103.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 883 | S | 30.1 | Very low | 30.7 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | cis | 172 | 116.7 | -35.1 | -98.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 884 | S | 30.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 76.2 | 151.7 | 159.3 | 86.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 885 | H | 31.6 | Very low | 31.9 | Very low | 172 Ų | 172 | 121.4 Ų | 121.4 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | 62.1 | 127.6 | 166.6 | -63.4 | 93.9 | 0 | 0 | 0 | 117.6 | ||||
| 886 | C | 32.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | cis | -146.1 | 171.7 | 13.7 | -101.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 887 | N | 28.6 | Very low | 33.4 | Very low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -80.2 | 144.6 | 174.1 | -62.7 | -60.5 | 0 | 0 | 0 | 112.6 | ||||
| 888 | E | 31.2 | Very low | 34.3 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -146.7 | 125.2 | 135.1 | -163 | 171.3 | -166 | 0 | 0 | 110.5 | V890 | E888-V890 HydrophobicContact CG-CG2 4.17Š| ||
| 889 | V | 29.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 118 Ų | 118 | 76% | 0.764 | 70% | 0.695 | S | S | * | * | trans | -109.3 | 83.3 | -174.2 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 890 | V | 33.9 | Very low | 36.7 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | trans | -83.6 | 118.1 | 176 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | E888 L892 | E888-V890 HydrophobicContact CG-CG2 4.17Å; V890-L892 PolarHBondContact O-N 2.8Å | ||
| 891 | S | 31.7 | Very low | 38.4 | Very low | 79 Ų | 79 | 113.8 Ų | 113.8 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | trans | -66.6 | 118.9 | -167.2 | -80.8 | 0 | 0 | 0 | 0 | 115.1 | N893 | S891-N893 PolarHBondContact O-N 2.64Š| ||
| 892 | L | 38.9 | Very low | 40.3 | Very low | 159 Ų | 159 | 113.1 Ų | 113.1 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 41 | 168.1 | -83.7 | 164 | 0 | 0 | 0 | 113.8 | V890 | V890-L892 PolarHBondContact O-N 2.8Š|
| 893 | N | 36.6 | Very low | 42 | Very low | 116 Ų | 116 | 113.8 Ų | 113.8 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -18.7 | -177.7 | -74.2 | -36 | 0 | 0 | 0 | 114.1 | S891 T895 | S891-N893 PolarHBondContact O-N 2.64Å; N893-T895 PolarHBondContact O-N 2.79Å |
| 894 | N | 36.8 | Very low | 44 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 72% | 0.717 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73 | -19.2 | -172.8 | -79.7 | -8.1 | 0 | 0 | 0 | 115.5 | K896 S897 A898 | N894-K896 PolarHBondContact O-N 3.05Å; N894-S897 PolarHBondContact O-N 3.2Å; N894-A898 PolarHBondContact O-N 2.82Å |
| 895 | T | 46.4 | Very low | 46 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.4 | -29 | -175.7 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | N893 S899 | N893-T895 PolarHBondContact O-N 2.79Å; T895-S899 PolarHBondContact O-N 2.77Å; T895-S899 PolarHBondContact O-OG 2.69Å |
| 896 | K | 43.2 | Very low | 48.3 | Very low | 170 Ų | 170 | 110.7 Ų | 110.7 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.2 | -40.9 | 173.3 | -71.5 | -177.5 | 179.1 | 175.7 | 0 | 111.5 | N894 A898 S899 S900 | N894-K896 PolarHBondContact O-N 3.05Å; K896-A898 PolarHBondContact O-N 3.23Å; K896-S899 WeakPolarHBondContact O-CB 3.32Å; K896-S899 PolarHBondContact O-N 3.32Å; K896-S900 PolarHBondContact O-N 2.7Å; K896-S900 PolarHBondContact O-OG 2.86Å |
| 897 | S | 43.8 | Very low | 50.6 | Low | 75 Ų | 75 | 108.8 Ų | 108.8 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.8 | -47.3 | 178.9 | -165.6 | 0 | 0 | 0 | 0 | 111.8 | N894 S899 S900 S901 | N894-S897 PolarHBondContact O-N 3.2Å; S897-S899 VanDerWaalsContact C-N 3.25Å; S897-S899 PolarHBondContact O-N 2.67Å; S897-S900 WeakPolarHBondContact O-CB 3.41Å; S897-S900 PolarHBondContact O-N 3.16Å; S897-S900 VanDerWaalsContact O-N 3.13Å; S897-S901 PolarHBondContact O-N 2.98Å; S897-S901 PolarHBondContact O-OG 3.34Å |
| 898 | A | 49.7 | Very low | 53.1 | Low | 52 Ų | 52 | 105.5 Ų | 105.5 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -57.5 | -35.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N894 K896 I902 | N894-A898 PolarHBondContact O-N 2.82Å; K896-A898 PolarHBondContact O-N 3.23Å; A898-I902 WeakPolarHBondContact O-CG1 3.4Å; A898-I902 PolarHBondContact O-N 3.01Å; A898-I902 VanDerWaalsContact O-N 3.08Å |
| 899 | S | 50.6 | Low | 55.5 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.2 | -40.5 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | T895 K896 S897 I902 Q903 | T895-S899 PolarHBondContact O-N 2.77Å; T895-S899 PolarHBondContact O-OG 2.69Å; K896-S899 WeakPolarHBondContact O-CB 3.32Å; K896-S899 PolarHBondContact O-N 3.32Å; S897-S899 VanDerWaalsContact C-N 3.25Å; S897-S899 PolarHBondContact O-N 2.67Å; S899-I902 PolarHBondContact O-N 2.88Å; S899-Q903 PolarHBondContact O-N 2.93Å; S899-Q903 VanDerWaalsContact O-N 3.1Å |
| 900 | S | 56.3 | Low | 58.1 | Low | 78 Ų | 78 | 105.7 Ų | 105.7 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63 | -47 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | K896 S897 I902 Q903 Q904 | K896-S900 PolarHBondContact O-N 2.7Å; K896-S900 PolarHBondContact O-OG 2.86Å; S897-S900 WeakPolarHBondContact O-CB 3.41Å; S897-S900 PolarHBondContact O-N 3.16Å; S897-S900 VanDerWaalsContact O-N 3.13Å; S900-I902 VanDerWaalsContact C-N 3.3Å; S900-I902 PolarHBondContact O-N 3.04Å; S900-Q903 PolarHBondContact O-N 2.9Å; S900-Q903 VanDerWaalsContact O-N 3.08Å; S900-Q904 PolarHBondContact O-N 2.67Å |
| 901 | S | 63.9 | Low | 60.5 | Low | 60 Ų | 60 | 104.4 Ų | 104.4 | 42% | 0.42 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.7 | -39.5 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | S897 Q904 L905 | S897-S901 PolarHBondContact O-N 2.98Å; S897-S901 PolarHBondContact O-OG 3.34Å; S901-Q904 PolarHBondContact O-N 3.4Å; S901-L905 WeakPolarHBondContact O-CB 3.44Å; S901-L905 WeakPolarHBondContact O-CG 3.48Å; S901-L905 PolarHBondContact O-N 3.19Å |
| 902 | I | 69.7 | Low | 62.9 | Low | 101 Ų | 101 | 104.9 Ų | 104.9 | 52% | 0.518 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.1 | -37.5 | 175.3 | -69.7 | 168.1 | 0 | 0 | 0 | 111.5 | A898 S899 S900 N906 | A898-I902 WeakPolarHBondContact O-CG1 3.4Å; A898-I902 PolarHBondContact O-N 3.01Å; A898-I902 VanDerWaalsContact O-N 3.08Å; S899-I902 PolarHBondContact O-N 2.88Å; S900-I902 VanDerWaalsContact C-N 3.3Å; S900-I902 PolarHBondContact O-N 3.04Å; I902-N906 WeakPolarHBondContact O-CB 3.24Å; I902-N906 PolarHBondContact O-N 3.39Å; I902-N906 VanDerWaalsContact O-N 3.14Å; I902-N906 PolarHBondContact O-ND2 3.41Å |
| 903 | Q | 66.5 | Low | 65.1 | Low | 139 Ų | 139 | 102.5 Ų | 102.5 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.5 | -40.2 | 173 | -74.2 | -159.1 | 2.6 | 0 | 0 | 112.4 | S899 S900 N906 N907 | S899-Q903 PolarHBondContact O-N 2.93Å; S899-Q903 VanDerWaalsContact O-N 3.1Å; S900-Q903 PolarHBondContact O-N 2.9Å; S900-Q903 VanDerWaalsContact O-N 3.08Å; Q903-N906 PolarHBondContact O-N 2.56Å; Q903-N907 PolarHBondContact O-N 3.33Å; Q903-N907 PolarHBondContact O-ND2 3.39Å |
| 904 | Q | 71.2 | Confident | 67.4 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -50.4 | 178.5 | 179.5 | 163.6 | -21.8 | 0 | 0 | 111.7 | S900 S901 N906 N907 E908 | S900-Q904 PolarHBondContact O-N 2.67Å; S901-Q904 PolarHBondContact O-N 3.4Å; Q904-N906 PolarHBondContact O-N 3.42Å; Q904-N907 CarbonylContact O-C 3.48Å; Q904-N907 WeakPolarHBondContact O-CA 3.39Å; Q904-N907 WeakPolarHBondContact O-CB 3.26Å; Q904-N907 PolarHBondContact O-N 3.13Å; Q904-E908 HydrophobicContact CG-CG 4.48Å; Q904-E908 WeakPolarHBondContact CG-OE1 3.11Å; Q904-E908 PolarHBondContact NE2-OE1 2.81Å; Q904-E908 PolarHBondContact O-N 2.98Å |
| 905 | L | 74.4 | Confident | 69.7 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57 | -33.9 | 173.7 | -72.3 | 167.5 | 0 | 0 | 0 | 112.8 | S901 R909 | S901-L905 WeakPolarHBondContact O-CB 3.44Å; S901-L905 WeakPolarHBondContact O-CG 3.48Å; S901-L905 PolarHBondContact O-N 3.19Å; L905-R909 WeakPolarHBondContact O-CB 3.18Å; L905-R909 WeakPolarHBondContact O-CG 3.12Å; L905-R909 PolarHBondContact O-N 3.4Å |
| 906 | N | 79.9 | Confident | 71.6 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.3 | -28.4 | 174.2 | -84.9 | -66.9 | 0 | 0 | 0 | 113.2 | I902 Q903 Q904 K910 | I902-N906 WeakPolarHBondContact O-CB 3.24Å; I902-N906 PolarHBondContact O-N 3.39Å; I902-N906 VanDerWaalsContact O-N 3.14Å; I902-N906 PolarHBondContact O-ND2 3.41Å; Q903-N906 PolarHBondContact O-N 2.56Å; Q904-N906 PolarHBondContact O-N 3.42Å; N906-K910 VanDerWaalsContact O-CG 3.24Å; N906-K910 WeakPolarHBondContact O-CG 3.34Å; N906-K910 PolarHBondContact O-N 3.18Å |
| 907 | N | 80.2 | Confident | 73.8 | Confident | 76 Ų | 76 | 93.6 Ų | 93.6 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -78.3 | -41.9 | 174.6 | -69.8 | -21.7 | 0 | 0 | 0 | 111.3 | Q903 Q904 R909 K910 I911 | Q903-N907 PolarHBondContact O-N 3.33Å; Q903-N907 PolarHBondContact O-ND2 3.39Å; Q904-N907 CarbonylContact O-C 3.48Å; Q904-N907 WeakPolarHBondContact O-CA 3.39Å; Q904-N907 WeakPolarHBondContact O-CB 3.26Å; Q904-N907 PolarHBondContact O-N 3.13Å; N907-R909 VanDerWaalsContact C-N 3.35Å; N907-R909 PolarHBondContact O-N 3.41Å; N907-K910 WeakPolarHBondContact O-CB 3.39Å; N907-K910 PolarHBondContact O-N 3.24Å; N907-K910 VanDerWaalsContact O-N 3.11Å; N907-K910 PolarHBondContact OD1-NZ 2.9Å; N907-I911 WeakPolarHBondContact O-CG1 3.37Å; N907-I911 PolarHBondContact O-N 2.77Å |
| 908 | E | 81.7 | Confident | 75.9 | Confident | 86 Ų | 86 | 93.3 Ų | 93.3 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 171.1 | -70.6 | 161.7 | -175.5 | 0 | 0 | 111.1 | Q904 K910 I911 L912 | Q904-E908 HydrophobicContact CG-CG 4.48Å; Q904-E908 WeakPolarHBondContact CG-OE1 3.11Å; Q904-E908 PolarHBondContact NE2-OE1 2.81Å; Q904-E908 PolarHBondContact O-N 2.98Å; E908-K910 PolarHBondContact O-N 2.8Å; E908-I911 PolarHBondContact O-N 3.39Å; E908-L912 PolarHBondContact O-N 3.31Å |
| 909 | R | 81.6 | Confident | 77.7 | Confident | 180 Ų | 180 | 92.2 Ų | 92.2 | 68% | 0.679 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.2 | -41.8 | 171.5 | -86.5 | -178 | 154.6 | -162.4 | -5.6 | 113.5 | L905 N907 L912 I913 | L905-R909 WeakPolarHBondContact O-CB 3.18Å; L905-R909 WeakPolarHBondContact O-CG 3.12Å; L905-R909 PolarHBondContact O-N 3.4Å; N907-R909 VanDerWaalsContact C-N 3.35Å; N907-R909 PolarHBondContact O-N 3.41Å; R909-L912 PolarHBondContact O-N 2.84Å; R909-I913 WeakPolarHBondContact O-CB 3.36Å; R909-I913 WeakPolarHBondContact O-CD1 3.48Å; R909-I913 WeakPolarHBondContact O-CG1 3.03Å; R909-I913 PolarHBondContact O-N 3.21Å |
| 910 | K | 82.6 | Confident | 79.4 | Confident | 126 Ų | 126 | 91.9 Ų | 91.9 | 55% | 0.548 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.5 | -71.4 | 163.7 | -159.3 | 161.9 | 0 | 111.2 | N906 N907 E908 I913 H914 | N906-K910 VanDerWaalsContact O-CG 3.24Å; N906-K910 WeakPolarHBondContact O-CG 3.34Å; N906-K910 PolarHBondContact O-N 3.18Å; N907-K910 WeakPolarHBondContact O-CB 3.39Å; N907-K910 PolarHBondContact O-N 3.24Å; N907-K910 VanDerWaalsContact O-N 3.11Å; N907-K910 PolarHBondContact OD1-NZ 2.9Å; E908-K910 PolarHBondContact O-N 2.8Å; K910-I913 PolarHBondContact O-N 2.91Å; K910-H914 WeakPolarHBondContact O-CB 3.44Å; K910-H914 PolarHBondContact O-N 3.12Å |
| 911 | I | 85.2 | Confident | 80.8 | Confident | 91 Ų | 91 | 92.8 Ų | 92.8 | 47% | 0.467 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 178 | -67.8 | 163.1 | 0 | 0 | 0 | 109.8 | N907 E908 I913 H914 L915 F949 | N907-I911 WeakPolarHBondContact O-CG1 3.37Å; N907-I911 PolarHBondContact O-N 2.77Å; E908-I911 PolarHBondContact O-N 3.39Å; I911-I913 PolarHBondContact O-N 2.85Å; I911-H914 PolarHBondContact O-N 3.09Å; I911-H914 VanDerWaalsContact O-N 3.14Å; I911-L915 WeakPolarHBondContact O-CB 3.41Å; I911-L915 PolarHBondContact O-N 2.86Å; I911-F949 HydrophobicContact CG2-CE1 3.78Å; I911-F949 HydrophobicContact CG2-CZ 3.58Å |
| 912 | L | 82.5 | Confident | 81.8 | Confident | 89 Ų | 89 | 93.8 Ų | 93.8 | 47% | 0.466 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.2 | -173.9 | 65.7 | 0 | 0 | 0 | 112.5 | E908 R909 H914 L915 V916 | E908-L912 PolarHBondContact O-N 3.31Å; R909-L912 PolarHBondContact O-N 2.84Å; L912-H914 VanDerWaalsContact C-N 3.33Å; L912-H914 PolarHBondContact O-N 2.85Å; L912-L915 HydrophobicContact CD1-CD2 4.43Å; L912-L915 WeakPolarHBondContact O-CB 3.31Å; L912-L915 PolarHBondContact O-N 3.12Å; L912-V916 WeakPolarHBondContact O-CG2 3.42Å; L912-V916 PolarHBondContact O-N 3.09Å |
| 913 | I | 85.4 | Confident | 82.5 | Confident | 108 Ų | 108 | 92 Ų | 92 | 55% | 0.554 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 174.3 | -70.4 | 163.9 | 0 | 0 | 0 | 110.7 | R909 K910 I911 V916 L917 | R909-I913 WeakPolarHBondContact O-CB 3.36Å; R909-I913 WeakPolarHBondContact O-CD1 3.48Å; R909-I913 WeakPolarHBondContact O-CG1 3.03Å; R909-I913 PolarHBondContact O-N 3.21Å; K910-I913 PolarHBondContact O-N 2.91Å; I911-I913 PolarHBondContact O-N 2.85Å; I913-V916 PolarHBondContact O-N 3.18Å; I913-L917 HydrophobicContact CG2-CD1 4.04Å; I913-L917 VanDerWaalsContact O-CG 3.3Å; I913-L917 WeakPolarHBondContact O-CG 3.37Å; I913-L917 PolarHBondContact O-N 3.46Å |
| 914 | H | 83.8 | Confident | 83.3 | Confident | 132 Ų | 132 | 89.9 Ų | 89.9 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | 178.8 | -147 | -84.9 | 0 | 0 | 0 | 111.8 | K910 I911 L912 L917 V918 | K910-H914 WeakPolarHBondContact O-CB 3.44Å; K910-H914 PolarHBondContact O-N 3.12Å; I911-H914 PolarHBondContact O-N 3.09Å; I911-H914 VanDerWaalsContact O-N 3.14Å; L912-H914 VanDerWaalsContact C-N 3.33Å; L912-H914 PolarHBondContact O-N 2.85Å; H914-L917 PolarHBondContact O-N 3.11Å; H914-V918 WeakPolarHBondContact O-CG2 3.29Å; H914-V918 PolarHBondContact O-N 3.07Å |
| 915 | L | 85.1 | Confident | 83.8 | Confident | 38 Ų | 38 | 87.1 Ų | 87.1 | 20% | 0.199 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 174.8 | -160 | 80.7 | 0 | 0 | 0 | 111.4 | I911 L912 L917 V918 V919 L945 F949 | I911-L915 WeakPolarHBondContact O-CB 3.41Å; I911-L915 PolarHBondContact O-N 2.86Å; L912-L915 HydrophobicContact CD1-CD2 4.43Å; L912-L915 WeakPolarHBondContact O-CB 3.31Å; L912-L915 PolarHBondContact O-N 3.12Å; L915-L917 PolarHBondContact O-N 3Å; L915-V918 PolarHBondContact O-N 3.47Å; L915-V919 WeakPolarHBondContact O-CG2 3.5Å; L915-V919 PolarHBondContact O-N 2.82Å; L915-L945 HydrophobicContact CD1-CD1 4.42Å; L915-L945 HydrophobicContact CD1-CD2 3.95Å; L915-L945 HydrophobicContact CD1-CG 4.36Å; L915-L945 HydrophobicContact CD2-CD2 4.03Å; L915-L945 HydrophobicContact CD2-CG 4.11Å; L915-L945 HydrophobicContact CG-CD2 3.93Å; L915-L945 HydrophobicContact CG-CG 4.47Å; L915-F949 HydrophobicContact CD1-CE2 3.83Å; L915-F949 HydrophobicContact CD1-CZ 4.38Å; L915-F949 HydrophobicContact CD2-CD2 3.72Å; L915-F949 HydrophobicContact CD2-CE2 3.55Å; L915-F949 HydrophobicContact CD2-CG 4.5Å; L915-F949 HydrophobicContact CD2-CZ 4.22Å; L915-F949 HydrophobicContact CG-CE2 4.32Å |
| 916 | V | 86.6 | Confident | 84.3 | Confident | 75 Ų | 75 | 83.3 Ų | 83.3 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 177 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L912 I913 V919 I920 | L912-V916 WeakPolarHBondContact O-CG2 3.42Å; L912-V916 PolarHBondContact O-N 3.09Å; I913-V916 PolarHBondContact O-N 3.18Å; V916-V919 PolarHBondContact O-N 3.22Å; V916-I920 HydrophobicContact CG1-CD1 3.8Å; V916-I920 HydrophobicContact CG1-CG1 4.47Å; V916-I920 WeakPolarHBondContact O-CB 3.21Å; V916-I920 VanDerWaalsContact O-CG1 3.28Å; V916-I920 WeakPolarHBondContact O-CG1 3.44Å; V916-I920 PolarHBondContact O-N 3.37Å |
| 917 | L | 88.8 | Confident | 84.4 | Confident | 82 Ų | 82 | 89 Ų | 89 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 175.1 | -72.1 | 170.9 | 0 | 0 | 0 | 112.5 | I913 H914 L915 I920 N921 | I913-L917 HydrophobicContact CG2-CD1 4.04Å; I913-L917 VanDerWaalsContact O-CG 3.3Å; I913-L917 WeakPolarHBondContact O-CG 3.37Å; I913-L917 PolarHBondContact O-N 3.46Å; H914-L917 PolarHBondContact O-N 3.11Å; L915-L917 PolarHBondContact O-N 3Å; L917-I920 PolarHBondContact O-N 3.35Å; L917-N921 WeakPolarHBondContact O-CB 3.49Å; L917-N921 VanDerWaalsContact O-CG 3.31Å; L917-N921 PolarHBondContact O-N 2.96Å; L917-N921 PolarHBondContact O-ND2 3.43Å |
| 918 | V | 89 | Confident | 84.5 | Confident | 69 Ų | 69 | 94.1 Ų | 94.1 | 42% | 0.418 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 173.1 | 167.6 | 0 | 0 | 0 | 0 | 111 | H914 L915 I920 N921 I922 | H914-V918 WeakPolarHBondContact O-CG2 3.29Å; H914-V918 PolarHBondContact O-N 3.07Å; L915-V918 PolarHBondContact O-N 3.47Å; V918-I920 PolarHBondContact O-N 3.32Å; V918-N921 PolarHBondContact O-N 3.45Å; V918-I922 HydrophobicContact CG1-CD1 3.8Å; V918-I922 HydrophobicContact CG1-CG1 4.49Å; V918-I922 WeakPolarHBondContact O-CG1 3.37Å; V918-I922 PolarHBondContact O-N 2.96Å |
| 919 | V | 86.4 | Confident | 84.5 | Confident | 30 Ų | 30 | 97.4 Ų | 97.4 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.8 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | L915 V916 N921 I922 I923 V942 L945 | L915-V919 WeakPolarHBondContact O-CG2 3.5Å; L915-V919 PolarHBondContact O-N 2.82Å; V916-V919 PolarHBondContact O-N 3.22Å; V919-N921 PolarHBondContact O-N 2.86Å; V919-I922 PolarHBondContact O-N 3.39Å; V919-I923 HydrophobicContact CG1-CD1 3.87Å; V919-I923 WeakPolarHBondContact O-CG1 3.23Å; V919-I923 PolarHBondContact O-N 2.94Å; V919-V942 HydrophobicContact CG1-CG2 3.63Å; V919-V942 HydrophobicContact CG2-CG2 4.23Å; V919-L945 HydrophobicContact CG2-CD2 4.36Å |
| 920 | I | 87.4 | Confident | 84.2 | Confident | 71 Ų | 71 | 97.5 Ų | 97.5 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.3 | -71.2 | 166.6 | 0 | 0 | 0 | 111.1 | V916 L917 V918 I923 Q924 | V916-I920 HydrophobicContact CG1-CD1 3.8Å; V916-I920 HydrophobicContact CG1-CG1 4.47Å; V916-I920 WeakPolarHBondContact O-CB 3.21Å; V916-I920 VanDerWaalsContact O-CG1 3.28Å; V916-I920 WeakPolarHBondContact O-CG1 3.44Å; V916-I920 PolarHBondContact O-N 3.37Å; L917-I920 PolarHBondContact O-N 3.35Å; V918-I920 PolarHBondContact O-N 3.32Å; I920-I923 PolarHBondContact O-N 2.99Å; I920-Q924 WeakPolarHBondContact O-CG 3.03Å; I920-Q924 PolarHBondContact O-N 3.4Å |
| 921 | N | 85.5 | Confident | 84 | Confident | 97 Ų | 97 | 98.4 Ų | 98.4 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.1 | -75.6 | -38.4 | 0 | 0 | 0 | 112.3 | L917 V918 V919 Q924 D925 | L917-N921 WeakPolarHBondContact O-CB 3.49Å; L917-N921 VanDerWaalsContact O-CG 3.31Å; L917-N921 PolarHBondContact O-N 2.96Å; L917-N921 PolarHBondContact O-ND2 3.43Å; V918-N921 PolarHBondContact O-N 3.45Å; V919-N921 PolarHBondContact O-N 2.86Å; N921-Q924 PolarHBondContact O-N 3.29Å; N921-D925 PolarHBondContact O-N 2.63Å |
| 922 | I | 85.2 | Confident | 83.4 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 42% | 0.415 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 174.4 | -68.6 | 164.8 | 0 | 0 | 0 | 110.8 | V918 V919 Q924 D925 L926 | V918-I922 HydrophobicContact CG1-CD1 3.8Å; V918-I922 HydrophobicContact CG1-CG1 4.49Å; V918-I922 WeakPolarHBondContact O-CG1 3.37Å; V918-I922 PolarHBondContact O-N 2.96Å; V919-I922 PolarHBondContact O-N 3.39Å; I922-Q924 VanDerWaalsContact C-N 3.33Å; I922-Q924 PolarHBondContact O-N 3.33Å; I922-D925 PolarHBondContact O-N 2.96Å; I922-L926 HydrophobicContact CG2-CD1 3.97Å; I922-L926 HydrophobicContact CG2-CG 4.38Å; I922-L926 WeakPolarHBondContact O-CB 3.47Å; I922-L926 WeakPolarHBondContact O-CG 3.47Å; I922-L926 PolarHBondContact O-N 2.84Å |
| 923 | I | 83.7 | Confident | 83 | Confident | 63 Ų | 63 | 102.6 Ų | 102.6 | 32% | 0.323 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.4 | -69 | 164.7 | 0 | 0 | 0 | 110.9 | V919 I920 R927 L935 V938 | V919-I923 HydrophobicContact CG1-CD1 3.87Å; V919-I923 WeakPolarHBondContact O-CG1 3.23Å; V919-I923 PolarHBondContact O-N 2.94Å; I920-I923 PolarHBondContact O-N 2.99Å; I923-R927 VanDerWaalsContact O-CB 3.3Å; I923-R927 WeakPolarHBondContact O-CB 3.39Å; I923-R927 PolarHBondContact O-N 3.41Å; I923-L935 HydrophobicContact CG2-CD2 4.48Å; I923-V938 HydrophobicContact CD1-CG1 4.02Å; I923-V938 HydrophobicContact CG1-CG1 3.84Å |
| 924 | Q | 82.6 | Confident | 82.5 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 177.3 | -73.2 | -175.7 | 39.4 | 0 | 0 | 112.6 | I920 N921 I922 R927 R928 | I920-Q924 WeakPolarHBondContact O-CG 3.03Å; I920-Q924 PolarHBondContact O-N 3.4Å; N921-Q924 PolarHBondContact O-N 3.29Å; I922-Q924 VanDerWaalsContact C-N 3.33Å; I922-Q924 PolarHBondContact O-N 3.33Å; Q924-R927 PolarHBondContact O-N 2.98Å; Q924-R928 WeakPolarHBondContact O-CG 3.35Å; Q924-R928 PolarHBondContact O-N 2.66Å |
| 925 | D | 83.1 | Confident | 82 | Confident | 61 Ų | 61 | 97.6 Ų | 97.6 | 33% | 0.326 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 177.8 | -173.4 | 36 | 0 | 0 | 0 | 112.1 | N921 I922 R927 R928 R929 | N921-D925 PolarHBondContact O-N 2.63Å; I922-D925 PolarHBondContact O-N 2.96Å; D925-R927 PolarHBondContact O-N 2.98Å; D925-R928 PolarHBondContact O-N 2.84Å; D925-R928 VanDerWaalsContact O-N 3.13Å; D925-R929 WeakPolarHBondContact O-CG 3.42Å; D925-R929 PolarHBondContact O-N 2.83Å; D925-R929 IonicContact OD1-CZ 3.57Å; D925-R929 IonicContact OD1-NE 2.84Å; D925-R929 PolarHBondContact OD1-NE 2.87Å; D925-R929 IonicContact OD1-NH2 3.46Å; D925-R929 PolarHBondContact OD1-NH2 3.46Å; D925-R929 IonicContact OD2-CZ 3.22Å; D925-R929 VanDerWaalsContact OD2-CZ 3.22Å; D925-R929 IonicContact OD2-NE 2.92Å; D925-R929 PolarHBondContact OD2-NE 2.98Å; D925-R929 IonicContact OD2-NH2 2.73Å; D925-R929 PolarHBondContact OD2-NH2 3.33Å |
| 926 | L | 83.4 | Confident | 81.6 | Confident | 23 Ų | 23 | 99.3 Ų | 99.3 | 12% | 0.12 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -57.2 | -38.6 | 172.5 | -72.4 | 174.6 | 0 | 0 | 0 | 111.9 | I922 K930 R931 L934 L935 V938 | I922-L926 HydrophobicContact CG2-CD1 3.97Å; I922-L926 HydrophobicContact CG2-CG 4.38Å; I922-L926 WeakPolarHBondContact O-CB 3.47Å; I922-L926 WeakPolarHBondContact O-CG 3.47Å; I922-L926 PolarHBondContact O-N 2.84Å; L926-K930 PolarHBondContact O-N 3.12Å; L926-R931 HydrophobicContact CD2-CB 4.16Å; L926-R931 PolarHBondContact O-N 2.89Å; L926-L934 HydrophobicContact CD1-CB 4.36Å; L926-L934 HydrophobicContact CD2-CB 3.89Å; L926-L934 HydrophobicContact CD2-CD2 3.9Å; L926-L935 HydrophobicContact CB-CD2 3.77Å; L926-L935 HydrophobicContact CD1-CD2 4.01Å; L926-V938 HydrophobicContact CD1-CG2 3.61Å |
| 927 | R | 83 | Confident | 81.2 | Confident | 196 Ų | 196 | 99.8 Ų | 99.8 | 74% | 0.74 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.2 | -42.8 | 175 | -159.1 | 177.9 | -152.6 | 169.4 | 7.7 | 112.1 | I923 Q924 D925 K930 | I923-R927 VanDerWaalsContact O-CB 3.3Å; I923-R927 WeakPolarHBondContact O-CB 3.39Å; I923-R927 PolarHBondContact O-N 3.41Å; Q924-R927 PolarHBondContact O-N 2.98Å; D925-R927 PolarHBondContact O-N 2.98Å; R927-K930 PolarHBondContact O-N 3.39Å |
| 928 | R | 81.7 | Confident | 80.7 | Confident | 185 Ų | 185 | 96.9 Ų | 96.9 | 70% | 0.698 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.7 | -46.3 | 175.2 | -77.4 | 177.6 | -179.6 | -138.7 | 3.4 | 112.1 | Q924 D925 K930 | Q924-R928 WeakPolarHBondContact O-CG 3.35Å; Q924-R928 PolarHBondContact O-N 2.66Å; D925-R928 PolarHBondContact O-N 2.84Å; D925-R928 VanDerWaalsContact O-N 3.13Å; R928-K930 PolarHBondContact O-N 3.39Å; R928-K930 VanDerWaalsContact O-N 3.14Å |
| 929 | R | 81.6 | Confident | 80.1 | Confident | 155 Ų | 155 | 97.3 Ų | 97.3 | 59% | 0.585 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 8.5 | -179.8 | -59.8 | -172.3 | -157.5 | -142.4 | 15.7 | 114.1 | D925 R931 | D925-R929 WeakPolarHBondContact O-CG 3.42Å; D925-R929 PolarHBondContact O-N 2.83Å; D925-R929 IonicContact OD1-CZ 3.57Å; D925-R929 IonicContact OD1-NE 2.84Å; D925-R929 PolarHBondContact OD1-NE 2.87Å; D925-R929 IonicContact OD1-NH2 3.46Å; D925-R929 PolarHBondContact OD1-NH2 3.46Å; D925-R929 IonicContact OD2-CZ 3.22Å; D925-R929 VanDerWaalsContact OD2-CZ 3.22Å; D925-R929 IonicContact OD2-NE 2.92Å; D925-R929 PolarHBondContact OD2-NE 2.98Å; D925-R929 IonicContact OD2-NH2 2.73Å; D925-R929 PolarHBondContact OD2-NH2 3.33Å; R929-R931 HydrophobicContact CB-CG 4.21Å; R929-R931 PolarHBondContact O-N 2.92Å |
| 930 | K | 75.3 | Confident | 79.9 | Confident | 181 Ų | 181 | 103.5 Ų | 103.5 | 79% | 0.787 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 20.3 | -176.1 | -56.7 | -177.5 | -178.4 | 178.5 | 0 | 114.5 | L926 R927 R928 V932 | L926-K930 PolarHBondContact O-N 3.12Å; R927-K930 PolarHBondContact O-N 3.39Å; R928-K930 PolarHBondContact O-N 3.39Å; R928-K930 VanDerWaalsContact O-N 3.14Å; K930-V932 PolarHBondContact O-N 3.49Å |
| 931 | R | 77.9 | Confident | 79.5 | Confident | 146 Ų | 146 | 106 Ų | 106 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | trans | -81.9 | 53.3 | -178.7 | -70.5 | -172.2 | 174.6 | -174 | -3.1 | 111.5 | L926 R929 H933 L934 | L926-R931 HydrophobicContact CD2-CB 4.16Å; L926-R931 PolarHBondContact O-N 2.89Å; R929-R931 HydrophobicContact CB-CG 4.21Å; R929-R931 PolarHBondContact O-N 2.92Å; R931-H933 PolarHBondContact O-N 3.3Å; R931-L934 PolarHBondContact O-N 3.04Å | ||
| 932 | V | 72.9 | Confident | 79.2 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -57.5 | -36.6 | -173 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | K930 L934 L935 | K930-V932 PolarHBondContact O-N 3.49Å; V932-L934 PolarHBondContact O-N 3.25Å; V932-L935 HydrophobicContact CG1-CD1 4.37Å; V932-L935 VanDerWaalsContact O-CB 3.28Å; V932-L935 WeakPolarHBondContact O-CB 3.3Å; V932-L935 PolarHBondContact O-N 3.04Å |
| 933 | H | 75.1 | Confident | 78.8 | Confident | 172 Ų | 172 | 104 Ų | 104 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -59.1 | -29.1 | 176.2 | -61.7 | -77.6 | 0 | 0 | 0 | 114 | R931 L935 | R931-H933 PolarHBondContact O-N 3.3Å; H933-L935 VanDerWaalsContact C-N 3.31Å |
| 934 | L | 75 | Confident | 78.5 | Confident | 82 Ų | 82 | 106.7 Ų | 106.7 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -76.3 | -17.4 | 175.6 | -92.1 | 68.3 | 0 | 0 | 0 | 112.9 | L926 R931 V932 A936 V937 V938 | L926-L934 HydrophobicContact CD1-CB 4.36Å; L926-L934 HydrophobicContact CD2-CB 3.89Å; L926-L934 HydrophobicContact CD2-CD2 3.9Å; R931-L934 PolarHBondContact O-N 3.04Å; V932-L934 PolarHBondContact O-N 3.25Å; L934-A936 PolarHBondContact O-N 3.35Å; L934-V937 WeakPolarHBondContact O-CB 3.39Å; L934-V937 PolarHBondContact O-N 3.32Å; L934-V938 PolarHBondContact O-N 3.48Å |
| 935 | L | 73.2 | Confident | 78.2 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 28% | 0.277 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -64.9 | -21.3 | 175.4 | -62.4 | 175 | 0 | 0 | 0 | 112.1 | I923 L926 V932 H933 V937 V938 P939 | I923-L935 HydrophobicContact CG2-CD2 4.48Å; L926-L935 HydrophobicContact CB-CD2 3.77Å; L926-L935 HydrophobicContact CD1-CD2 4.01Å; V932-L935 HydrophobicContact CG1-CD1 4.37Å; V932-L935 VanDerWaalsContact O-CB 3.28Å; V932-L935 WeakPolarHBondContact O-CB 3.3Å; V932-L935 PolarHBondContact O-N 3.04Å; H933-L935 VanDerWaalsContact C-N 3.31Å; L935-V937 VanDerWaalsContact C-N 3.26Å; L935-V937 PolarHBondContact O-N 2.91Å; L935-V938 HydrophobicContact CD2-CG2 4.39Å; L935-V938 PolarHBondContact O-N 3.11Å; L935-P939 WeakPolarHBondContact O-CD 3.49Å |
| 936 | A | 75.5 | Confident | 78 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -70.5 | -19.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L934 | L934-A936 PolarHBondContact O-N 3.35Š|
| 937 | V | 79.9 | Confident | 77.7 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -29.1 | 176.2 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | L934 L935 K940 F941 | L934-V937 WeakPolarHBondContact O-CB 3.39Å; L934-V937 PolarHBondContact O-N 3.32Å; L935-V937 VanDerWaalsContact C-N 3.26Å; L935-V937 PolarHBondContact O-N 2.91Å; V937-K940 PolarHBondContact O-N 3.38Å; V937-K940 VanDerWaalsContact O-N 3.08Å; V937-F941 PolarHBondContact O-N 3Å |
| 938 | V | 77.1 | Confident | 77.4 | Confident | 21 Ų | 21 | 109 Ų | 109 | 13% | 0.127 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -56.9 | -45.4 | -176.7 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | I923 L926 L934 L935 K940 F941 V942 | I923-V938 HydrophobicContact CD1-CG1 4.02Å; I923-V938 HydrophobicContact CG1-CG1 3.84Å; L926-V938 HydrophobicContact CD1-CG2 3.61Å; L934-V938 PolarHBondContact O-N 3.48Å; L935-V938 HydrophobicContact CD2-CG2 4.39Å; L935-V938 PolarHBondContact O-N 3.11Å; V938-K940 VanDerWaalsContact C-N 3.32Å; V938-K940 PolarHBondContact O-N 3.34Å; V938-F941 PolarHBondContact O-N 2.89Å; V938-V942 HydrophobicContact CG1-CG2 3.95Å; V938-V942 WeakPolarHBondContact O-CB 3.2Å; V938-V942 VanDerWaalsContact O-CG2 3.31Å; V938-V942 WeakPolarHBondContact O-CG2 3.41Å; V938-V942 PolarHBondContact O-N 3.25Å |
| 939 | P | 77.6 | Confident | 76.9 | Confident | 78 Ų | 78 | 107.5 Ų | 107.5 | 51% | 0.506 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.4 | -42.5 | 174.5 | -27.8 | 35.2 | 0 | 0 | 0 | 113.3 | L935 V942 C943 | L935-P939 WeakPolarHBondContact O-CD 3.49Å; P939-V942 PolarHBondContact O-N 3.3Å; P939-C943 WeakPolarHBondContact O-CB 3.49Å; P939-C943 PolarHBondContact O-N 3.24Å; P939-C943 PolarHBondContact O-SG 3.37Å |
| 940 | K | 81 | Confident | 76.6 | Confident | 161 Ų | 161 | 105.2 Ų | 105.2 | 70% | 0.7 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.4 | -44.4 | 177.3 | -66 | -171.8 | 176.6 | -173.9 | 0 | 111.5 | V937 V938 C943 Q944 | V937-K940 PolarHBondContact O-N 3.38Å; V937-K940 VanDerWaalsContact O-N 3.08Å; V938-K940 VanDerWaalsContact C-N 3.32Å; V938-K940 PolarHBondContact O-N 3.34Å; K940-C943 PolarHBondContact O-N 2.9Å; K940-Q944 VanDerWaalsContact O-CB 3.31Å; K940-Q944 WeakPolarHBondContact O-CB 3.24Å; K940-Q944 PolarHBondContact O-N 3.46Å |
| 941 | F | 79.3 | Confident | 76.7 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 54% | 0.544 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 178.6 | -161 | -89.8 | 0 | 0 | 0 | 111.9 | V937 V938 Q944 L945 | V937-F941 PolarHBondContact O-N 3Å; V938-F941 PolarHBondContact O-N 2.89Å; F941-Q944 PolarHBondContact O-N 3.05Å; F941-L945 WeakPolarHBondContact O-CB 3.35Å; F941-L945 PolarHBondContact O-N 3.25Å |
| 942 | V | 79.2 | Confident | 76.6 | Confident | 47 Ų | 47 | 98.7 Ų | 98.7 | 29% | 0.285 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | V919 V938 P939 Q944 L945 V946 | V919-V942 HydrophobicContact CG1-CG2 3.63Å; V919-V942 HydrophobicContact CG2-CG2 4.23Å; V938-V942 HydrophobicContact CG1-CG2 3.95Å; V938-V942 WeakPolarHBondContact O-CB 3.2Å; V938-V942 VanDerWaalsContact O-CG2 3.31Å; V938-V942 WeakPolarHBondContact O-CG2 3.41Å; V938-V942 PolarHBondContact O-N 3.25Å; P939-V942 PolarHBondContact O-N 3.3Å; V942-Q944 VanDerWaalsContact C-N 3.34Å; V942-Q944 PolarHBondContact O-N 3.23Å; V942-L945 PolarHBondContact O-N 2.81Å; V942-V946 HydrophobicContact CG1-CG2 4.23Å; V942-V946 VanDerWaalsContact O-CB 3.31Å; V942-V946 WeakPolarHBondContact O-CB 3.26Å; V942-V946 VanDerWaalsContact O-CG2 3.25Å; V942-V946 WeakPolarHBondContact O-CG2 3.41Å; V942-V946 PolarHBondContact O-N 3.15Å |
| 943 | C | 75.8 | Confident | 76.9 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 174.5 | -71.5 | 0 | 0 | 0 | 0 | 112.2 | P939 K940 L945 V946 A947 | P939-C943 WeakPolarHBondContact O-CB 3.49Å; P939-C943 PolarHBondContact O-N 3.24Å; P939-C943 PolarHBondContact O-SG 3.37Å; K940-C943 PolarHBondContact O-N 2.9Å; C943-L945 VanDerWaalsContact C-N 3.32Å; C943-L945 PolarHBondContact O-N 3.17Å; C943-V946 PolarHBondContact O-N 2.77Å; C943-A947 VanDerWaalsContact O-CB 3.24Å; C943-A947 WeakPolarHBondContact O-CB 3.28Å; C943-A947 PolarHBondContact O-N 3.15Å |
| 944 | Q | 77.9 | Confident | 77 | Confident | 121 Ų | 121 | 94.3 Ų | 94.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.4 | -25 | 179.1 | -167.1 | 170.9 | 23.9 | 0 | 0 | 113.2 | K940 F941 V942 R948 | K940-Q944 VanDerWaalsContact O-CB 3.31Å; K940-Q944 WeakPolarHBondContact O-CB 3.24Å; K940-Q944 PolarHBondContact O-N 3.46Å; F941-Q944 PolarHBondContact O-N 3.05Å; V942-Q944 VanDerWaalsContact C-N 3.34Å; V942-Q944 PolarHBondContact O-N 3.23Å; Q944-R948 WeakPolarHBondContact O-CG 3.43Å; Q944-R948 PolarHBondContact O-N 2.66Å |
| 945 | L | 76.9 | Confident | 77.1 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 23% | 0.225 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -80.4 | -37.6 | 173.4 | -171.7 | 65.6 | 0 | 0 | 0 | 111.6 | L915 V919 F941 V942 C943 A947 R948 F949 | L915-L945 HydrophobicContact CD1-CD1 4.42Å; L915-L945 HydrophobicContact CD1-CD2 3.95Å; L915-L945 HydrophobicContact CD1-CG 4.36Å; L915-L945 HydrophobicContact CD2-CD2 4.03Å; L915-L945 HydrophobicContact CD2-CG 4.11Å; L915-L945 HydrophobicContact CG-CD2 3.93Å; L915-L945 HydrophobicContact CG-CG 4.47Å; V919-L945 HydrophobicContact CG2-CD2 4.36Å; F941-L945 WeakPolarHBondContact O-CB 3.35Å; F941-L945 PolarHBondContact O-N 3.25Å; V942-L945 PolarHBondContact O-N 2.81Å; C943-L945 VanDerWaalsContact C-N 3.32Å; C943-L945 PolarHBondContact O-N 3.17Å; L945-A947 VanDerWaalsContact C-N 3.32Å; L945-R948 PolarHBondContact O-N 3.47Å; L945-F949 PolarHBondContact O-N 2.99Å |
| 946 | V | 78.2 | Confident | 77.4 | Confident | 91 Ų | 91 | 98.1 Ų | 98.1 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74 | -21.3 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | V942 C943 R948 | V942-V946 HydrophobicContact CG1-CG2 4.23Å; V942-V946 VanDerWaalsContact O-CB 3.31Å; V942-V946 WeakPolarHBondContact O-CB 3.26Å; V942-V946 VanDerWaalsContact O-CG2 3.25Å; V942-V946 WeakPolarHBondContact O-CG2 3.41Å; V942-V946 PolarHBondContact O-N 3.15Å; C943-V946 PolarHBondContact O-N 2.77Å; V946-R948 VanDerWaalsContact C-N 3.35Å |
| 947 | A | 77.7 | Confident | 77.5 | Confident | 82 Ų | 82 | 99.9 Ų | 99.9 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C943 L945 | C943-A947 VanDerWaalsContact O-CB 3.24Å; C943-A947 WeakPolarHBondContact O-CB 3.28Å; C943-A947 PolarHBondContact O-N 3.15Å; L945-A947 VanDerWaalsContact C-N 3.32Å |
| 948 | R | 76.7 | Confident | 77.3 | Confident | 205 Ų | 205 | 101.3 Ų | 101.3 | 77% | 0.774 | 52% | 0.519 | S | S | * | . | trans | -116.4 | -0.5 | 169.4 | -81.4 | -178.9 | 169.1 | -160.1 | -2.5 | 112.5 | Q944 L945 V946 | Q944-R948 WeakPolarHBondContact O-CG 3.43Å; Q944-R948 PolarHBondContact O-N 2.66Å; L945-R948 PolarHBondContact O-N 3.47Å; V946-R948 VanDerWaalsContact C-N 3.35Å | ||
| 949 | F | 70.6 | Confident | 77.3 | Confident | 155 Ų | 155 | 108.5 Ų | 108.5 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | trans | -110.2 | 0 | 169.5 | -99.5 | -84.7 | 0 | 0 | 0 | 108.8 | I911 L915 L945 | I911-F949 HydrophobicContact CG2-CE1 3.78Å; I911-F949 HydrophobicContact CG2-CZ 3.58Å; L915-F949 HydrophobicContact CD1-CE2 3.83Å; L915-F949 HydrophobicContact CD1-CZ 4.38Å; L915-F949 HydrophobicContact CD2-CD2 3.72Å; L915-F949 HydrophobicContact CD2-CE2 3.55Å; L915-F949 HydrophobicContact CD2-CG 4.5Å; L915-F949 HydrophobicContact CD2-CZ 4.22Å; L915-F949 HydrophobicContact CG-CE2 4.32Å; L945-F949 PolarHBondContact O-N 2.99Å |
Retrieved 949 of 949 residues in 191 ms
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