| 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 | 31.6 | Very low | 32.6 | Very low | 235 Ų | 235 | 141.5 Ų | 141.5 | 100% | 1.158 | 81% | 0.808 | S | S | * | * | 0 | 151.8 | 0 | -68.1 | 179.7 | 173.4 | 0 | 0 | 109.4 | |||||
| 2 | P | 32.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 148.9 Ų | 148.9 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 133.2 | -179.8 | 31.5 | -33.4 | 0 | 0 | 0 | 111.9 | Q4 | P2-Q4 PolarHBondContact O-N 2.95Š|
| 3 | V | 33.9 | Very low | 32.8 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 116.2 | 175.6 | 180 | 0 | 0 | 0 | 0 | 109.5 | ||
| 4 | Q | 29.6 | Very low | 33 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 121.4 | 176.7 | -67.4 | -173.9 | -4.9 | 0 | 0 | 111 | P2 I6 | P2-Q4 PolarHBondContact O-N 2.95Å; Q4-I6 PolarHBondContact O-N 2.94Å |
| 5 | Q | 32.3 | Very low | 33 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 77% | 0.771 | 83% | 0.829 | S | S | * | * | trans | -84.2 | 96.2 | 171.5 | -71.2 | -171 | -30.9 | 0 | 0 | 110.3 | T7 | Q5-T7 PolarHBondContact O-N 2.59Š| ||
| 6 | I | 38.1 | Very low | 33.1 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 77% | 0.774 | 83% | 0.826 | S | S | * | * | trans | -67 | 117.9 | 174.7 | -60.5 | 176.3 | 0 | 0 | 0 | 109.1 | Q4 | Q4-I6 PolarHBondContact O-N 2.94Š| ||
| 7 | T | 29.6 | Very low | 33 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 72% | 0.718 | 83% | 0.833 | S | S | * | * | trans | -89.8 | 109.3 | 179.2 | -64.3 | 0 | 0 | 0 | 0 | 109.7 | Q5 V9 | Q5-T7 PolarHBondContact O-N 2.59Å; T7-V9 PolarHBondContact O-N 3.28Å; T7-V9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | V | 33 | Very low | 33.1 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | -70.7 | 107.7 | 175 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 9 | V | 31.4 | Very low | 33.2 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 70% | 0.703 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 131 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | T7 A11 | T7-V9 PolarHBondContact O-N 3.28Å; T7-V9 VanDerWaalsContact O-N 3.14Å; V9-A11 PolarHBondContact O-N 3.07Å |
| 10 | P | 34 | Very low | 33.1 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 130.1 | 173.1 | -19.7 | 32.2 | 0 | 0 | 0 | 110.8 | ||
| 11 | A | 32 | Very low | 33.3 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -59 | 148.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V9 | V9-A11 PolarHBondContact O-N 3.07Š|
| 12 | R | 36.8 | Very low | 33.8 | Very low | 231 Ų | 231 | 136.8 Ų | 136.8 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 135.5 | 167.8 | -69.8 | -177.8 | 174.6 | -170.6 | -2.4 | 108.6 | T14 | R12-T14 PolarHBondContact O-N 2.95Š|
| 13 | E | 31.4 | Very low | 33.7 | Very low | 201 Ų | 201 | 143 Ų | 143 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -70.8 | 108.3 | 173.9 | -66.9 | 170.8 | 152 | 0 | 0 | 109.3 | ||||
| 14 | T | 35.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -100.5 | 104.1 | 165.7 | 49.9 | 0 | 0 | 0 | 0 | 108.3 | R12 G16 | R12-T14 PolarHBondContact O-N 2.95Å; T14-G16 PolarHBondContact O-N 2.93Å | ||
| 15 | A | 34 | Very low | 34.1 | Very low | 114 Ų | 114 | 143 Ų | 143 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | -60.9 | 123.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | G | 34.4 | Very low | 34.1 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -108 | 125.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | T14 | T14-G16 PolarHBondContact O-N 2.93Š| ||
| 17 | N | 31.2 | Very low | 34.2 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -157.9 | 133.5 | 165.9 | -162.9 | 34.7 | 0 | 0 | 0 | 108.6 | ||||
| 18 | G | 33.8 | Very low | 34.3 | Very low | 59 Ų | 59 | 146.6 Ų | 146.6 | 61% | 0.608 | 83% | 0.827 | S | S | * | * | cis | 177 | 121.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 19 | K | 35.5 | Very low | 34.5 | Very low | 215 Ų | 215 | 149 Ų | 149 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | 53.3 | 119.2 | 166.5 | -64.2 | 177.1 | 178.1 | 175 | 0 | 119.9 | ||||
| 20 | S | 30.8 | Very low | 34.5 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 88% | 0.881 | 83% | 0.831 | S | S | * | * | -156.9 | 148.1 | 122.2 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 21 | A | 38.1 | Very low | 34.6 | Very low | 93 Ų | 93 | 153.1 Ų | 153.1 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | trans | -97 | 161.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 22 | P | 42.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 158.4 Ų | 158.4 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | trans | -82.7 | 154.9 | -165.1 | 33.4 | -36.5 | 0 | 0 | 0 | 114.1 | ||||
| 23 | R | 30 | Very low | 34.6 | Very low | 251 Ų | 251 | 151.7 Ų | 151.7 | 95% | 0.947 | 84% | 0.839 | S | S | * | * | trans | -144.4 | 139.8 | 163 | -150.8 | 175 | -170.2 | -172.8 | 3 | 110.3 | ||||
| 24 | S | 39.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -91.7 | 146.6 | -175.9 | 44.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 25 | K | 32.5 | Very low | 35.4 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -157.4 | 168.6 | 146.3 | -160.1 | 145.9 | -173 | 175.7 | 0 | 112.1 | ||||
| 26 | E | 33.3 | Very low | 35.4 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 76% | 0.757 | 83% | 0.831 | S | S | * | * | trans | -86.1 | 161 | -163.8 | -58.2 | 132.3 | 100.3 | 0 | 0 | 116.7 | ||||
| 27 | K | 39.8 | Very low | 35.4 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -38.4 | 131.9 | 156.1 | 169.9 | -168.9 | 177.3 | -172.5 | 0 | 115.1 | ||||
| 28 | N | 31.7 | Very low | 35.3 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | trans | -150.7 | 172.1 | 137.3 | -150.3 | 3.2 | 0 | 0 | 0 | 112.6 | ||||
| 29 | E | 36.3 | Very low | 35.2 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -84 | 168.3 | -166.9 | -53.6 | 175.2 | 128.1 | 0 | 0 | 115.2 | ||||
| 30 | G | 32 | Very low | 35.2 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -172 | -0.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 31 | R | 35.3 | Very low | 35.3 | Very low | 247 Ų | 247 | 151.5 Ų | 151.5 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | 55 | 150.1 | 165.8 | -66.9 | -178.1 | 176.6 | -110.5 | 0.4 | 122.2 | ||||
| 32 | K | 32.3 | Very low | 35.4 | Very low | 208 Ų | 208 | 151.9 Ų | 151.9 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | 77.3 | 131.5 | 156.7 | -85.2 | -173.9 | 173.3 | -177.7 | 0 | 121.3 | ||||
| 33 | A | 38.1 | Very low | 34.9 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | -103.5 | -166.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 34 | P | 52.8 | Low | 35.1 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | cis | -144.2 | -175.5 | 19.5 | 44.9 | -25.1 | 0 | 0 | 0 | 117.6 | ||||
| 35 | G | 30.7 | Very low | 34.8 | Very low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 114 | 165.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 36 | R | 33.7 | Very low | 34.9 | Very low | 235 Ų | 235 | 148.4 Ų | 148.4 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | -170.2 | 139.4 | -88.9 | 177.9 | -175.5 | -171.8 | -128 | 5.3 | 109.6 | |||||
| 37 | S | 33 | Very low | 34.6 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | 67.1 | 158.9 | 177 | -56.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 38 | G | 29.1 | Very low | 34.4 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | cis | 155.1 | 157 | -14.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 39 | S | 32.9 | Very low | 34.3 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | 75 | 121.9 | 158.2 | -63.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 40 | R | 34.3 | Very low | 34.1 | Very low | 234 Ų | 234 | 139.4 Ų | 139.4 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | 51.4 | 130.2 | 127 | -52.1 | 169.5 | 89.7 | -172.1 | 8.2 | 120.2 | |||||
| 41 | S | 34.3 | Very low | 34.1 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | 179.7 | 174.7 | 103 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 42 | S | 40.2 | Very low | 34 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -153.4 | 134.3 | -174.1 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 43 | N | 32.4 | Very low | 34 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -140.1 | 131.3 | 165.7 | -70.1 | -55.2 | 0 | 0 | 0 | 106.4 | ||||
| 44 | I | 33.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 136 Ų | 136 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | 66.7 | 104.7 | 54.6 | -56.5 | 177.3 | 0 | 0 | 0 | 112.9 | |||||
| 45 | S | 33.3 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -170.9 | 147.1 | 138 | -83.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 46 | K | 33.2 | Very low | 32.9 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -154 | 118.4 | 175.4 | 175.7 | -176.3 | 176.4 | -179.7 | 0 | 109.7 | ||||
| 47 | V | 28.5 | Very low | 33.3 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -142.1 | 155.5 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 48 | S | 34 | Very low | 34.3 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | trans | -110.2 | 155.7 | -173.1 | -51.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 49 | N | 30.9 | Very low | 34.5 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | 151.1 | 123 | 126.9 | -80.4 | -2.8 | 0 | 0 | 0 | 116.5 | |||||
| 50 | T | 32.3 | Very low | 34.7 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 50 | 138.5 | 133.3 | 65.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 51 | A | 31.7 | Very low | 34.9 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | 96.5 | 89.3 | 137.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 52 | S | 33.5 | Very low | 34.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | 43.7 | 127.6 | 118.2 | -48.9 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 53 | R | 32.4 | Very low | 34.5 | Very low | 239 Ų | 239 | 131.1 Ų | 131.1 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -145.7 | 125.1 | 142.4 | -92.6 | 179.1 | 163.4 | 171.3 | -6.7 | 107 | ||||
| 54 | A | 32.4 | Very low | 34.5 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | 61.9 | 128.6 | 73.6 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 55 | S | 33.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | cis | -169.3 | 168.6 | 41.1 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 56 | T | 32.6 | Very low | 34.3 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | cis | -175.4 | 144.9 | -9.8 | 26.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 57 | T | 41.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 66.7 | 153.6 | 143.6 | 57 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 58 | P | 54.7 | Low | 34.4 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | cis | -108.9 | -146.1 | 10.4 | 32.2 | -11.6 | 0 | 0 | 0 | 112.6 | ||||
| 59 | S | 32.3 | Very low | 35.5 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | cis | -160.8 | -174.2 | 8.8 | -152 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 60 | A | 38 | Very low | 35.5 | Very low | 78 Ų | 78 | 123.6 Ų | 123.6 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | trans | -74.3 | 151.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 61 | Q | 37.9 | Very low | 35.2 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | 79.8 | 140.2 | 41.2 | -59.2 | 171.3 | 11.8 | 0 | 0 | 112 | ||||
| 62 | D | 31.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | cis | -166.7 | 160.9 | 41.6 | -123 | -25.4 | 0 | 0 | 0 | 115.8 | ||||
| 63 | I | 34.5 | Very low | 35.4 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | 57.5 | 144.8 | 139.5 | -73.3 | 164.2 | 0 | 0 | 0 | 121 | ||||
| 64 | C | 31.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | cis | -155.2 | 175.5 | 5.2 | -139.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 65 | S | 29.7 | Very low | 35.6 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -1.4 | 167.3 | 141.4 | -63.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 66 | S | 34 | Very low | 35.6 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | cis | 175.8 | 157.8 | -20.6 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 67 | G | 30.6 | Very low | 35.6 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 76% | 0.764 | S | S | * | * | trans | 141.3 | 158.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 68 | Q | 32.8 | Very low | 35.2 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -137.3 | -163.9 | -170.3 | -140.5 | -153.9 | -1.1 | 0 | 0 | 112.4 | ||||
| 69 | P | 58.1 | Low | 34.2 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 60% | 0.597 | 76% | 0.759 | S | S | * | * | -124.1 | -151.6 | -118.8 | 45 | -27 | 0 | 0 | 0 | 115.3 | |||||
| 70 | T | 29.8 | Very low | 34.2 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | 84.7 | 153.4 | -177.8 | 77.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 71 | R | 27.1 | Very low | 34.5 | Very low | 218 Ų | 218 | 142.6 Ų | 142.6 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | cis | -149.6 | 170.3 | 12.4 | -163.6 | 175.2 | 165 | 154.1 | -1.3 | 112.1 | ||||
| 72 | L | 37.1 | Very low | 34.1 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -71.6 | 160.5 | 165 | -79 | 159.2 | 0 | 0 | 0 | 112.9 | ||||
| 73 | D | 31.6 | Very low | 34.1 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | -177.4 | 169.7 | 114.3 | -81.2 | -29 | 0 | 0 | 0 | 112 | |||||
| 74 | D | 32.2 | Very low | 34 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -84.1 | 170.1 | -165.8 | -79.3 | -82.6 | 0 | 0 | 0 | 117.7 | ||||
| 75 | I | 37 | Very low | 34.1 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | 167 | 143.6 | 117.6 | -86.6 | 165.4 | 0 | 0 | 0 | 116.7 | |||||
| 76 | S | 32.8 | Very low | 34.7 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | 78.2 | 113.3 | 155.4 | -87 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 77 | E | 33.4 | Very low | 34.7 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | 65.5 | 150.7 | 117.9 | -85.6 | -164.4 | 100.4 | 0 | 0 | 123.8 | |||||
| 78 | S | 32.3 | Very low | 36.1 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | cis | -154.9 | 174.9 | 12.5 | 62.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 79 | R | 33.9 | Very low | 36.1 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | trans | 89.3 | 157 | 158.4 | -65.1 | 166.1 | -161.2 | -120.8 | -2.5 | 119.9 | ||||
| 80 | K | 32.5 | Very low | 34.8 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -144 | 177.9 | -156.1 | -71.3 | 175.6 | -176.5 | 168.2 | 0 | 109.3 | ||||
| 81 | P | 45.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | -112.9 | -146.7 | 6.5 | 43.4 | -28.2 | 0 | 0 | 0 | 111.8 | ||||
| 82 | S | 27.8 | Very low | 35.2 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -153 | 156.3 | 3.5 | 29.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 83 | K | 32.9 | Very low | 35 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | cis | 76.2 | 122.8 | 44.9 | -70.3 | -168.2 | 168.4 | -171.2 | 0 | 114.4 | ||||
| 84 | H | 31.9 | Very low | 35 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | cis | -152.6 | 165.7 | 7.7 | -119.3 | -32.3 | 0 | 0 | 0 | 115.8 | ||||
| 85 | K | 32.8 | Very low | 35 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -90.8 | -170.9 | 169.3 | -78.1 | -174.9 | 177.5 | -179.3 | 0 | 109.3 | ||||
| 86 | P | 43.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -151.8 | -165.3 | 18.4 | 47.5 | -25.1 | 0 | 0 | 0 | 118.7 | ||||
| 87 | S | 32.8 | Very low | 34.7 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -110.5 | -168.9 | 159.7 | 59.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 88 | P | 60 | Low | 34.7 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -140.5 | -169.3 | -0.7 | 44.9 | -25.9 | 0 | 0 | 0 | 116.1 | ||||
| 89 | S | 32.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 59.1 | 128.6 | 146.8 | -59.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 90 | A | 32.2 | Very low | 34.4 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -170.8 | 167.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 91 | M | 34.2 | Very low | 34.4 | Very low | 181 Ų | 181 | 130.9 Ų | 130.9 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -125.4 | 161 | 178.5 | -61.1 | -179.5 | -76.2 | 0 | 0 | 111.6 | ||||
| 92 | T | 30.3 | Very low | 33.9 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -166.2 | 160.1 | 146.3 | -78.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 93 | V | 32.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 81% | 0.809 | S | S | * | * | trans | -116.6 | 165.1 | -168.9 | -72.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 94 | T | 30.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 130 Ų | 130 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | 141.4 | 149 | 157.4 | 46.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | S | 32.8 | Very low | 33.9 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | cis | -159.6 | 158.7 | -18.6 | -96.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 96 | T | 32.6 | Very low | 33.9 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | trans | 33.4 | 119.8 | 152.1 | 55.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 97 | A | 30.7 | Very low | 33.3 | Very low | 103 Ų | 103 | 130 Ų | 130 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | -175.5 | 145.5 | 114.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 98 | L | 32.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -96.1 | 134.5 | 163.4 | -75.8 | 157.6 | 0 | 0 | 0 | 109 | ||||
| 99 | S | 27.8 | Very low | 31.8 | Very low | 128 Ų | 128 | 138 Ų | 138 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -177.5 | 148.6 | 136.4 | -86.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 100 | S | 32.9 | Very low | 31.8 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -87.9 | 144.7 | 173 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 101 | S | 32 | Very low | 31.7 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | -171.7 | 156.5 | 128.7 | -85.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 102 | A | 35 | Very low | 31.5 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -109.7 | 154.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 103 | Q | 32.1 | Very low | 31.8 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | 177.2 | 170.5 | 127.6 | -99 | 175.9 | 35.9 | 0 | 0 | 113.6 | |||||
| 104 | S | 29.5 | Very low | 31.6 | Very low | 91 Ų | 91 | 154 Ų | 154 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 86.7 | 96.4 | 150.9 | -157.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 105 | Q | 32.3 | Very low | 31.4 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | 80.5 | 115.1 | 128.1 | -66.7 | -174.9 | 73.7 | 0 | 0 | 124.1 | |||||
| 106 | K | 32.5 | Very low | 31.1 | Very low | 165 Ų | 165 | 156.3 Ų | 156.3 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | 69.3 | 145.1 | 127.9 | -63 | 169.4 | -171.5 | 163.8 | 0 | 117.6 | |||||
| 107 | K | 31.5 | Very low | 30.9 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | cis | -161.4 | 149.2 | 11.5 | -132.4 | 171.1 | -176.3 | 172.3 | 0 | 111.2 | ||||
| 108 | K | 29.8 | Very low | 30.7 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 151.7 | 159.4 | -68.4 | 177.6 | 177.2 | 177.9 | 0 | 118.2 | ||||
| 109 | R | 30.2 | Very low | 30.6 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | cis | -176.7 | 128.1 | -19.3 | 174.7 | -174.7 | -173 | -170.5 | 6 | 111 | ||||
| 110 | R | 32.9 | Very low | 30.5 | Very low | 225 Ų | 225 | 153.2 Ų | 153.2 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | 171.6 | 113.6 | 129.6 | -94.9 | -169.8 | 168.5 | -163.1 | -3.7 | 115.2 | |||||
| 111 | H | 31.1 | Very low | 30.4 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 26.5 | 126.1 | 150.8 | -56.9 | -80.1 | 0 | 0 | 0 | 124.5 | ||||
| 112 | R | 30 | Very low | 30.1 | Very low | 206 Ų | 206 | 158.2 Ų | 158.2 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | -158 | 112.7 | 148.4 | -174.7 | 172.6 | 175.4 | 162.5 | -2.4 | 114.5 | ||||
| 113 | R | 35.8 | Very low | 29.9 | Very low | 216 Ų | 216 | 158.9 Ų | 158.9 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | trans | 66.6 | 165.6 | 158.3 | -65.7 | -179.3 | 177.1 | -172.2 | -4.6 | 120.6 | ||||
| 114 | K | 28.1 | Very low | 29.9 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 72.4 | 154.6 | 171.8 | -93.5 | -172.7 | 177.6 | 179.5 | 0 | 116 | ||||
| 115 | R | 26.7 | Very low | 29.8 | Very low | 208 Ų | 208 | 157.8 Ų | 157.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | cis | -160.8 | 164.9 | -15.1 | -154.6 | -167.7 | 174.2 | -147.7 | 3.8 | 109.5 | ||||
| 116 | S | 26.3 | Very low | 29.7 | Very low | 69 Ų | 69 | 157.8 Ų | 157.8 | 48% | 0.483 | 76% | 0.763 | S | S | . | * | trans | 13.7 | 127.2 | 149.2 | 63.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 117 | S | 29.1 | Very low | 29.5 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 51.3 | 125.4 | 134.2 | 64.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 118 | C | 27.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | -166.9 | 173.3 | 107.3 | -106.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 119 | S | 29.1 | Very low | 29.2 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 164.1 | -171.5 | 50.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 120 | T | 25.6 | Very low | 29.1 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -113.1 | 159.6 | 147 | 44.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 121 | F | 30.7 | Very low | 28.8 | Very low | 183 Ų | 183 | 147.1 Ų | 147.1 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | -117.9 | 161.8 | -173.3 | -108.8 | -94.6 | 0 | 0 | 0 | 110.9 | ||||
| 122 | D | 26.4 | Very low | 28.7 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -153.7 | 165.3 | 141.3 | -109.6 | -43.5 | 0 | 0 | 0 | 110.8 | ||||
| 123 | C | 30.1 | Very low | 28.7 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 72% | 0.716 | 76% | 0.764 | S | S | * | * | trans | -100.2 | -174.9 | -171.3 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 124 | V | 32.2 | Very low | 28.3 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | cis | -155.8 | 157.3 | 24.3 | -153.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 125 | D | 28.3 | Very low | 28.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 100.1 | 134.4 | 136.8 | -105 | -12 | 0 | 0 | 0 | 126.7 | ||||
| 126 | L | 30.7 | Very low | 28.4 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | 56.8 | 123.9 | 146.8 | -77 | 161.5 | 0 | 0 | 0 | 126 | ||||
| 127 | S | 28.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | 71.1 | 146.2 | 147.2 | -53.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 128 | G | 27.2 | Very low | 28.6 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 157.1 | 125.3 | -11.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 129 | K | 27.7 | Very low | 28.9 | Very low | 198 Ų | 198 | 139.4 Ų | 139.4 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | 71.1 | 158.7 | 178.6 | -49.8 | -178.1 | 178.5 | -179.3 | 0 | 115 | ||||
| 130 | Q | 26.9 | Very low | 28.9 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | -142.6 | 166.6 | 4.4 | -156 | 154.1 | -71.8 | 0 | 0 | 112.8 | ||||
| 131 | E | 27.6 | Very low | 29.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -99.4 | 177.2 | -178.7 | -54.9 | 174.5 | 55.5 | 0 | 0 | 114.7 | ||||
| 132 | Q | 29.8 | Very low | 29.4 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | 73.9 | 158.8 | 144.9 | -85.4 | 172.6 | 52.5 | 0 | 0 | 118 | ||||
| 133 | S | 28.3 | Very low | 29.8 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -154.8 | -179 | 3.2 | 42.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 134 | D | 28 | Very low | 29.9 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -69.9 | -176.4 | -176.9 | -49.9 | -100.6 | 0 | 0 | 0 | 118.4 | ||||
| 135 | R | 29.6 | Very low | 29.7 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | 86.8 | 154.9 | 163.8 | -61.7 | 178.4 | 166.9 | 161.3 | -4.4 | 117.5 | ||||
| 136 | S | 27.4 | Very low | 29.9 | Very low | 95 Ų | 95 | 141.2 Ų | 141.2 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | -170 | 155.5 | -26.1 | -94.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | L | 30 | Very low | 29.8 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | 34.3 | 130.1 | 146.8 | -69.2 | 162.9 | 0 | 0 | 0 | 122.2 | ||||
| 138 | S | 29.1 | Very low | 29.9 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | -169.9 | 146.7 | 113.6 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 139 | S | 34.3 | Very low | 30 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 31.6 | 151.8 | 145.1 | -69.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 140 | D | 30.2 | Very low | 30 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -164.5 | 173.2 | -9.8 | -114.2 | -64.4 | 0 | 0 | 0 | 106.3 | ||||
| 141 | R | 31.5 | Very low | 30 | Very low | 228 Ų | 228 | 144.3 Ų | 144.3 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | cis | -153.9 | 176.2 | 18.7 | -152 | 172.2 | 163.1 | 176.1 | -4.8 | 111.6 | ||||
| 142 | S | 33.8 | Very low | 30.2 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 56% | 0.559 | 75% | 0.746 | S | S | * | * | trans | -68.6 | 178.6 | 176.5 | 67.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 143 | E | 35.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | -168.3 | 178.7 | 16.1 | -143.9 | 157.4 | 132.2 | 0 | 0 | 114 | ||||
| 144 | L | 31.3 | Very low | 30.1 | Very low | 163 Ų | 163 | 149 Ų | 149 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 66.1 | 145.1 | 160.6 | -62.1 | 163.6 | 0 | 0 | 0 | 118.2 | ||||
| 145 | G | 29 | Very low | 30.1 | Very low | 67 Ų | 67 | 152.6 Ų | 152.6 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | cis | -169.5 | 179.4 | -0.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 146 | E | 31.4 | Very low | 30.3 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -72.1 | 175.8 | -175.7 | -38.9 | -171 | 93.5 | 0 | 0 | 113.7 | ||||
| 147 | K | 29.4 | Very low | 30.3 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -169 | 176 | 4.3 | -137.5 | 160.6 | -167.5 | 151.8 | 0 | 110 | ||||
| 148 | R | 29.9 | Very low | 30.4 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 83.5 | 105 | 142 | -158.1 | 155.6 | -141.1 | 175.4 | 5.4 | 123.7 | ||||
| 149 | E | 30 | Very low | 31.4 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | 43.7 | 124.3 | 126.6 | -54.2 | -179.7 | 103.4 | 0 | 0 | 124.5 | |||||
| 150 | H | 27.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | 56.4 | 135.6 | 129.7 | -126.3 | -104.2 | 0 | 0 | 0 | 120.3 | |||||
| 151 | S | 27.3 | Very low | 31.7 | Very low | 84 Ų | 84 | 158.7 Ų | 158.7 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | 174 | 175.3 | 65.9 | -161.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 152 | I | 30.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 68.8 | 148.5 | 163 | -63.1 | 174.3 | 0 | 0 | 0 | 116.4 | ||||
| 153 | R | 29.5 | Very low | 31.4 | Very low | 214 Ų | 214 | 162.2 Ų | 162.2 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | cis | -169.4 | 165.9 | -31.5 | -169.2 | 177.1 | -170.7 | -174.4 | 5.1 | 108.1 | ||||
| 154 | N | 25.9 | Very low | 31 | Very low | 145 Ų | 145 | 165.6 Ų | 165.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -8 | 145.4 | 165.6 | -59.4 | -4.9 | 0 | 0 | 0 | 118.8 | ||||
| 155 | R | 28.2 | Very low | 30.8 | Very low | 223 Ų | 223 | 162.9 Ų | 162.9 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | -169.1 | 163.4 | 80.8 | -162.9 | 179.3 | 162.9 | 146.9 | -5.1 | 113.2 | E157 | R155-E157 IonicContact NE-OE1 3.91Š| |||
| 156 | K | 34.2 | Very low | 30.7 | Very low | 188 Ų | 188 | 163.3 Ų | 163.3 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -73.8 | 158.7 | 163.9 | -58.7 | 175.3 | 178.3 | 178.4 | 0 | 111.2 | ||||
| 157 | E | 27.7 | Very low | 30.8 | Very low | 157 Ų | 157 | 162.1 Ų | 162.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -150.3 | 167.6 | 149.7 | -90.8 | -52.6 | 123.7 | 0 | 0 | 110.2 | R155 | R155-E157 IonicContact NE-OE1 3.91Š| ||
| 158 | L | 31.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 159.8 Ų | 159.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -114.6 | 170.3 | 173.4 | -115.7 | 80.8 | 0 | 0 | 0 | 110.6 | ||||
| 159 | P | 49.4 | Very low | 31.4 | Very low | 114 Ų | 114 | 159.2 Ų | 159.2 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | trans | -96.4 | 156.1 | -171.5 | 37.2 | -35.2 | 0 | 0 | 0 | 114.6 | ||||
| 160 | P | 39.6 | Very low | 31.5 | Very low | 129 Ų | 129 | 157.7 Ų | 157.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -112.5 | 172.7 | 153.5 | 35.5 | -25.7 | 0 | 0 | 0 | 113.1 | ||||
| 161 | R | 32.1 | Very low | 32 | Very low | 237 Ų | 237 | 157.6 Ų | 157.6 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -99.3 | 165.4 | -178.9 | -57.4 | 174.4 | 172 | -171.6 | -3 | 111.7 | ||||
| 162 | L | 31.2 | Very low | 32.2 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | -173.1 | -177.2 | 121.6 | -102.1 | 165.3 | 0 | 0 | 0 | 115 | |||||
| 163 | R | 27.2 | Very low | 32.5 | Very low | 221 Ų | 221 | 155 Ų | 155 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -55.3 | 174.4 | -177.6 | -63.9 | 168.2 | 165.6 | 179.9 | -5.7 | 114.1 | ||||
| 164 | R | 28 | Very low | 33.4 | Very low | 226 Ų | 226 | 150.4 Ų | 150.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | cis | -157.1 | 168.6 | 23.9 | -159.7 | 172.5 | 175.9 | -178.4 | -2 | 113.5 | ||||
| 165 | S | 26.7 | Very low | 34.1 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -21.9 | 143.8 | 171.6 | -46.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 166 | G | 27.4 | Very low | 34.9 | Very low | 76 Ų | 76 | 145.2 Ų | 145.2 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | -150.8 | 139.2 | 148 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 167 | V | 32.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -137.6 | 172.6 | -177 | -140.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 168 | P | 44.7 | Very low | 36.2 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | -102 | 176.4 | -100.6 | 40 | -27.8 | 0 | 0 | 0 | 113.8 | |||||
| 169 | Q | 27.5 | Very low | 36.6 | Very low | 196 Ų | 196 | 137 Ų | 137 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | trans | -143.8 | 157.5 | 152.6 | -132.5 | 175.1 | 3.2 | 0 | 0 | 110.4 | ||||
| 170 | S | 31.8 | Very low | 36.5 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | -92.4 | 173.5 | -144 | -45 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 171 | D | 38.8 | Very low | 36.9 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -80.7 | 155.5 | -162.7 | -50.7 | -92.4 | 0 | 0 | 0 | 117.1 | ||||
| 172 | S | 31.3 | Very low | 37.8 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | trans | -160 | 99.8 | 133.8 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 173 | S | 36.5 | Very low | 38.6 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 48% | 0.483 | 68% | 0.681 | S | S | . | * | trans | -162.2 | 39.9 | 173.5 | -158.7 | 0 | 0 | 0 | 0 | 111.8 | E175 D176 E177 | S173-E175 VanDerWaalsContact C-N 3.26Å; S173-E175 PolarHBondContact O-N 3.2Å; S173-E175 VanDerWaalsContact O-N 3.1Å; S173-D176 PolarHBondContact O-N 2.95Å; S173-E177 PolarHBondContact O-N 2.94Å | ||
| 174 | T | 49 | Very low | 39.7 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.5 | -13.7 | -162 | 19.6 | 0 | 0 | 0 | 0 | 116 | ||
| 175 | E | 40.7 | Very low | 40.5 | Very low | 162 Ų | 162 | 118.9 Ų | 118.9 | 76% | 0.757 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -89.9 | -39.3 | 177.3 | -56.6 | -160.9 | 138.9 | 0 | 0 | 113.3 | S173 A178 W179 | S173-E175 VanDerWaalsContact C-N 3.26Å; S173-E175 PolarHBondContact O-N 3.2Å; S173-E175 VanDerWaalsContact O-N 3.1Å; E175-A178 PolarHBondContact O-N 3.02Å; E175-W179 PolarHBondContact O-N 2.75Å |
| 176 | D | 44.3 | Very low | 42.1 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 52% | 0.519 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.4 | -28.1 | -178 | -110.1 | -48.1 | 0 | 0 | 0 | 112.7 | S173 R180 | S173-D176 PolarHBondContact O-N 2.95Å; D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.16Å; D176-R180 VanDerWaalsContact O-N 3.09Å |
| 177 | E | 42.8 | Very low | 43.4 | Very low | 98 Ų | 98 | 120.8 Ų | 120.8 | 46% | 0.458 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.7 | -46.4 | 169.2 | -84.2 | -56.2 | 93.9 | 0 | 0 | 112 | S173 W179 R180 E181 | S173-E177 PolarHBondContact O-N 2.94Å; E177-W179 VanDerWaalsContact C-N 3.26Å; E177-W179 PolarHBondContact O-N 3.25Å; E177-R180 CarbonylContact O-C 3.55Å; E177-R180 WeakPolarHBondContact O-CA 3.38Å; E177-R180 PolarHBondContact O-N 3.14Å; E177-R180 IonicContact OE1-CZ 2.73Å; E177-R180 IonicContact OE1-NE 2.91Å; E177-R180 PolarHBondContact OE1-NE 2.84Å; E177-R180 IonicContact OE1-NH2 3.78Å; E177-R180 PolarHBondContact OE1-NH2 3.4Å; E177-E181 WeakPolarHBondContact O-CB 3.2Å; E177-E181 PolarHBondContact O-N 3.34Å |
| 178 | A | 46.2 | Very low | 44.8 | Very low | 56 Ų | 56 | 117 Ų | 117 | 46% | 0.463 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -56 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E175 A182 | E175-A178 PolarHBondContact O-N 3.02Å; A178-A182 VanDerWaalsContact O-CB 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.5Å; A178-A182 PolarHBondContact O-N 2.76Å |
| 179 | W | 40.8 | Very low | 45.5 | Very low | 177 Ų | 177 | 118.7 Ų | 118.7 | 67% | 0.67 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.3 | -28 | 174.7 | -72.5 | 112.9 | 0 | 0 | 0 | 113.7 | E175 E177 R183 | E175-W179 PolarHBondContact O-N 2.75Å; E177-W179 VanDerWaalsContact C-N 3.26Å; E177-W179 PolarHBondContact O-N 3.25Å; W179-R183 WeakPolarHBondContact O-CG 3.45Å; W179-R183 PolarHBondContact O-NE 2.78Å; W179-R183 PolarHBondContact O-NH2 2.91Å |
| 180 | R | 46.9 | Very low | 47 | Very low | 134 Ų | 134 | 111.3 Ų | 111.3 | 51% | 0.506 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -76.2 | -43.5 | 172.4 | -76.7 | -168.9 | -73.3 | -134 | -4.1 | 111.6 | D176 E177 R183 S184 | D176-R180 WeakPolarHBondContact O-CG 3.27Å; D176-R180 PolarHBondContact O-N 3.16Å; D176-R180 VanDerWaalsContact O-N 3.09Å; E177-R180 CarbonylContact O-C 3.55Å; E177-R180 WeakPolarHBondContact O-CA 3.38Å; E177-R180 PolarHBondContact O-N 3.14Å; E177-R180 IonicContact OE1-CZ 2.73Å; E177-R180 IonicContact OE1-NE 2.91Å; E177-R180 PolarHBondContact OE1-NE 2.84Å; E177-R180 IonicContact OE1-NH2 3.78Å; E177-R180 PolarHBondContact OE1-NH2 3.4Å; R180-R183 PolarHBondContact O-N 3Å; R180-S184 PolarHBondContact O-N 3.48Å |
| 181 | E | 49.5 | Very low | 48.4 | Very low | 126 Ų | 126 | 112.3 Ų | 112.3 | 59% | 0.589 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.1 | -41.9 | -177.8 | -167.5 | 168.2 | -139.1 | 0 | 0 | 112.4 | E177 R183 S184 W185 | E177-E181 WeakPolarHBondContact O-CB 3.2Å; E177-E181 PolarHBondContact O-N 3.34Å; E181-R183 PolarHBondContact O-N 3.18Å; E181-S184 CarbonylContact O-C 3.55Å; E181-S184 WeakPolarHBondContact O-CA 3.17Å; E181-S184 VanDerWaalsContact O-CB 3.26Å; E181-S184 WeakPolarHBondContact O-CB 3.29Å; E181-S184 PolarHBondContact O-N 2.91Å; E181-W185 PolarHBondContact O-N 2.99Å |
| 182 | A | 50.6 | Low | 49.3 | Very low | 53 Ų | 53 | 111.2 Ų | 111.2 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.7 | -35.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A178 S186 | A178-A182 VanDerWaalsContact O-CB 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.5Å; A178-A182 PolarHBondContact O-N 2.76Å; A182-S186 VanDerWaalsContact O-CB 3.32Å; A182-S186 WeakPolarHBondContact O-CB 3.33Å; A182-S186 PolarHBondContact O-N 3.27Å; A182-S186 VanDerWaalsContact O-N 3.11Å; A182-S186 PolarHBondContact O-OG 2.92Å |
| 183 | R | 47.2 | Very low | 50.5 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73 | -32.9 | 172.4 | -78.5 | -179.4 | -72.6 | -176.2 | -5.1 | 112.4 | W179 R180 E181 K187 | W179-R183 WeakPolarHBondContact O-CG 3.45Å; W179-R183 PolarHBondContact O-NE 2.78Å; W179-R183 PolarHBondContact O-NH2 2.91Å; R180-R183 PolarHBondContact O-N 3Å; E181-R183 PolarHBondContact O-N 3.18Å; R183-K187 WeakPolarHBondContact O-CG 3.5Å; R183-K187 PolarHBondContact O-N 3.5Å |
| 184 | S | 50.5 | Low | 51.2 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.5 | -55.6 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | R180 E181 S186 K187 E188 | R180-S184 PolarHBondContact O-N 3.48Å; E181-S184 CarbonylContact O-C 3.55Å; E181-S184 WeakPolarHBondContact O-CA 3.17Å; E181-S184 VanDerWaalsContact O-CB 3.26Å; E181-S184 WeakPolarHBondContact O-CB 3.29Å; E181-S184 PolarHBondContact O-N 2.91Å; S184-S186 VanDerWaalsContact C-N 3.28Å; S184-S186 PolarHBondContact O-N 2.81Å; S184-K187 PolarHBondContact O-N 2.76Å; S184-E188 PolarHBondContact O-N 2.95Å |
| 185 | W | 45.9 | Very low | 51.3 | Low | 172 Ų | 172 | 116.7 Ų | 116.7 | 65% | 0.652 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.4 | -38.9 | 179.7 | -158.4 | -99.4 | 0 | 0 | 0 | 112.1 | E181 E188 K189 | E181-W185 PolarHBondContact O-N 2.99Å; W185-E188 PolarHBondContact O-N 3.25Å; W185-K189 VanDerWaalsContact O-CB 3.22Å; W185-K189 WeakPolarHBondContact O-CB 3.36Å; W185-K189 PolarHBondContact O-N 3.2Å |
| 186 | S | 59.1 | Low | 51.6 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | 174 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | A182 S184 A190 | A182-S186 VanDerWaalsContact O-CB 3.32Å; A182-S186 WeakPolarHBondContact O-CB 3.33Å; A182-S186 PolarHBondContact O-N 3.27Å; A182-S186 VanDerWaalsContact O-N 3.11Å; A182-S186 PolarHBondContact O-OG 2.92Å; S184-S186 VanDerWaalsContact C-N 3.28Å; S184-S186 PolarHBondContact O-N 2.81Å; S186-A190 WeakPolarHBondContact O-CB 3.36Å; S186-A190 PolarHBondContact O-N 3.03Å; S186-A190 VanDerWaalsContact O-N 3.16Å |
| 187 | K | 55.1 | Low | 51.8 | Low | 143 Ų | 143 | 117 Ų | 117 | 62% | 0.622 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -38.2 | 174.7 | -78.8 | 179 | 176.7 | 177.6 | 0 | 112 | R183 S184 A190 R191 | R183-K187 WeakPolarHBondContact O-CG 3.5Å; R183-K187 PolarHBondContact O-N 3.5Å; S184-K187 PolarHBondContact O-N 2.76Å; K187-A190 CarbonylContact O-C 3.55Å; K187-A190 PolarHBondContact O-N 2.82Å; K187-R191 WeakPolarHBondContact O-CG 2.99Å; K187-R191 PolarHBondContact O-N 2.79Å; K187-R191 VanDerWaalsContact O-N 3.12Å |
| 188 | E | 61.6 | Low | 52 | Low | 51 Ų | 51 | 116.4 Ų | 116.4 | 24% | 0.238 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -77.6 | -36 | -177.7 | -159.8 | 53 | -130.2 | 0 | 0 | 112.7 | S184 W185 A190 R191 R192 | S184-E188 PolarHBondContact O-N 2.95Å; W185-E188 PolarHBondContact O-N 3.25Å; E188-A190 VanDerWaalsContact C-N 3.26Å; E188-A190 PolarHBondContact O-N 3.19Å; E188-R191 WeakPolarHBondContact O-CB 3.15Å; E188-R191 PolarHBondContact O-N 2.88Å; E188-R191 WeakPolarHBondContact OE2-CD 3.41Å; E188-R191 IonicContact OE2-CZ 2.71Å; E188-R191 IonicContact OE2-NE 2.66Å; E188-R191 IonicContact OE2-NH1 3.06Å; E188-R191 PolarHBondContact OE2-NH1 3.21Å; E188-R192 PolarHBondContact O-N 2.96Å |
| 189 | K | 60.3 | Low | 51.8 | Low | 151 Ų | 151 | 117.4 Ų | 117.4 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.3 | -40.5 | 167.8 | -166.3 | 170.8 | -176.3 | 176.9 | 0 | 110.6 | W185 R191 A193 | W185-K189 VanDerWaalsContact O-CB 3.22Å; W185-K189 WeakPolarHBondContact O-CB 3.36Å; W185-K189 PolarHBondContact O-N 3.2Å; K189-R191 VanDerWaalsContact C-N 3.29Å; K189-R191 PolarHBondContact O-N 2.99Å; K189-A193 WeakPolarHBondContact O-CB 3.38Å; K189-A193 PolarHBondContact O-N 2.79Å |
| 190 | A | 58.8 | Low | 51.9 | Low | 41 Ų | 41 | 113.2 Ų | 113.2 | 34% | 0.339 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.9 | -8.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S186 K187 E188 R194 | S186-A190 WeakPolarHBondContact O-CB 3.36Å; S186-A190 PolarHBondContact O-N 3.03Å; S186-A190 VanDerWaalsContact O-N 3.16Å; K187-A190 CarbonylContact O-C 3.55Å; K187-A190 PolarHBondContact O-N 2.82Å; E188-A190 VanDerWaalsContact C-N 3.26Å; E188-A190 PolarHBondContact O-N 3.19Å; A190-R194 PolarHBondContact O-NE 2.9Å; A190-R194 PolarHBondContact O-NH2 3.25Å |
| 191 | R | 60.7 | Low | 51.9 | Low | 135 Ų | 135 | 117.1 Ų | 117.1 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -93.7 | -45.9 | 168.4 | -75.7 | 162.5 | 173.7 | 161.9 | -2.8 | 111.1 | K187 E188 K189 A193 R194 R195 | K187-R191 WeakPolarHBondContact O-CG 2.99Å; K187-R191 PolarHBondContact O-N 2.79Å; K187-R191 VanDerWaalsContact O-N 3.12Å; E188-R191 WeakPolarHBondContact O-CB 3.15Å; E188-R191 PolarHBondContact O-N 2.88Å; E188-R191 WeakPolarHBondContact OE2-CD 3.41Å; E188-R191 IonicContact OE2-CZ 2.71Å; E188-R191 IonicContact OE2-NE 2.66Å; E188-R191 IonicContact OE2-NH1 3.06Å; E188-R191 PolarHBondContact OE2-NH1 3.21Å; K189-R191 VanDerWaalsContact C-N 3.29Å; K189-R191 PolarHBondContact O-N 2.99Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 2.78Å; R191-R194 PolarHBondContact O-N 3.35Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R191-R195 PolarHBondContact O-N 2.85Å |
| 192 | R | 57.7 | Low | 51.7 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 52% | 0.517 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.5 | -37.3 | 175.4 | -72.4 | -177.5 | 170.4 | 123.3 | -3.8 | 112.3 | E188 R195 R196 | E188-R192 PolarHBondContact O-N 2.96Å; R192-R195 PolarHBondContact O-N 2.93Å; R192-R196 PolarHBondContact O-N 3.24Å |
| 193 | A | 55.7 | Low | 51.4 | Low | 60 Ų | 60 | 124.1 Ų | 124.1 | 50% | 0.496 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58.5 | -47.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K189 R191 R195 R196 S197 | K189-A193 WeakPolarHBondContact O-CB 3.38Å; K189-A193 PolarHBondContact O-N 2.79Å; R191-A193 VanDerWaalsContact C-N 3.31Å; R191-A193 PolarHBondContact O-N 2.78Å; A193-R195 PolarHBondContact O-N 2.72Å; A193-R196 PolarHBondContact O-N 3.4Å; A193-S197 PolarHBondContact O-N 2.88Å; A193-S197 PolarHBondContact O-OG 2.9Å |
| 194 | R | 52.1 | Low | 51.2 | Low | 167 Ų | 167 | 124.3 Ų | 124.3 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -34 | 178.1 | -89.2 | 177 | -77.7 | -156.2 | -5.5 | 113.6 | A190 R191 S197 V198 | A190-R194 PolarHBondContact O-NE 2.9Å; A190-R194 PolarHBondContact O-NH2 3.25Å; R191-R194 PolarHBondContact O-N 3.35Å; R191-R194 VanDerWaalsContact O-N 3.09Å; R194-S197 WeakPolarHBondContact CA-OG 3.12Å; R194-S197 PolarHBondContact O-OG 2.73Å; R194-V198 WeakPolarHBondContact O-CG2 3.48Å; R194-V198 PolarHBondContact O-N 3.35Å |
| 195 | R | 51.1 | Low | 51 | Low | 191 Ų | 191 | 124.6 Ų | 124.6 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 172.6 | -69.3 | -173.3 | -175.3 | -86.8 | 6 | 112.1 | R191 R192 A193 V198 S199 | R191-R195 PolarHBondContact O-N 2.85Å; R192-R195 PolarHBondContact O-N 2.93Å; A193-R195 PolarHBondContact O-N 2.72Å; R195-V198 PolarHBondContact O-N 2.62Å; R195-S199 VanDerWaalsContact O-CB 3.32Å; R195-S199 WeakPolarHBondContact O-CB 3.42Å; R195-S199 PolarHBondContact O-N 2.91Å |
| 196 | R | 47.2 | Very low | 50.7 | Low | 195 Ų | 195 | 123.5 Ų | 123.5 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.9 | -41 | 173.9 | -73.8 | 179.5 | 179.4 | 159.3 | -0.9 | 112.7 | R192 A193 V198 S199 S200 | R192-R196 PolarHBondContact O-N 3.24Å; A193-R196 PolarHBondContact O-N 3.4Å; R196-V198 VanDerWaalsContact C-N 3.26Å; R196-V198 PolarHBondContact O-N 2.95Å; R196-S199 PolarHBondContact O-N 2.85Å; R196-S200 VanDerWaalsContact O-CB 3.28Å; R196-S200 WeakPolarHBondContact O-CB 3.24Å; R196-S200 PolarHBondContact O-N 3.44Å |
| 197 | S | 47.3 | Very low | 49.4 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.7 | -18.4 | 177.7 | 58.4 | 0 | 0 | 0 | 0 | 114.7 | A193 R194 | A193-S197 PolarHBondContact O-N 2.88Å; A193-S197 PolarHBondContact O-OG 2.9Å; R194-S197 WeakPolarHBondContact CA-OG 3.12Å; R194-S197 PolarHBondContact O-OG 2.73Å |
| 198 | V | 47.2 | Very low | 48.2 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 52% | 0.515 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -88.2 | -49.2 | 171.5 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | R194 R195 R196 S200 R201 | R194-V198 WeakPolarHBondContact O-CG2 3.48Å; R194-V198 PolarHBondContact O-N 3.35Å; R195-V198 PolarHBondContact O-N 2.62Å; R196-V198 VanDerWaalsContact C-N 3.26Å; R196-V198 PolarHBondContact O-N 2.95Å; V198-S200 PolarHBondContact O-N 3.5Å; V198-R201 PolarHBondContact O-N 3.02Å |
| 199 | S | 43.1 | Very low | 46.9 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 54% | 0.538 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -61.5 | -17 | 177.6 | -178.1 | 0 | 0 | 0 | 0 | 114.4 | R195 R196 | R195-S199 VanDerWaalsContact O-CB 3.32Å; R195-S199 WeakPolarHBondContact O-CB 3.42Å; R195-S199 PolarHBondContact O-N 2.91Å; R196-S199 PolarHBondContact O-N 2.85Å |
| 200 | S | 42.3 | Very low | 45.5 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 6.9 | 173.4 | -166.7 | 0 | 0 | 0 | 0 | 113.8 | R196 V198 | R196-S200 VanDerWaalsContact O-CB 3.28Å; R196-S200 WeakPolarHBondContact O-CB 3.24Å; R196-S200 PolarHBondContact O-N 3.44Å; V198-S200 PolarHBondContact O-N 3.5Å |
| 201 | R | 47.6 | Very low | 44.2 | Very low | 217 Ų | 217 | 130.9 Ų | 130.9 | 82% | 0.819 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -119 | -2.2 | 174.8 | -92.1 | -175.9 | 163.8 | -172.2 | -6.6 | 114 | V198 | V198-R201 PolarHBondContact O-N 3.02Š|
| 202 | E | 44.2 | Very low | 42.8 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -113.7 | 29.4 | 179.4 | -64.2 | 179.4 | 110.4 | 0 | 0 | 111.9 | ||
| 203 | K | 44.8 | Very low | 41.6 | Very low | 176 Ų | 176 | 131 Ų | 131 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -126.4 | -6.3 | 178.6 | -94 | -162.3 | 168.9 | -164.1 | 0 | 117 | ||
| 204 | D | 43 | Very low | 40.5 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -106.3 | 23 | 178.2 | -55.6 | -53.4 | 0 | 0 | 0 | 112.5 | ||
| 205 | A | 46.8 | Very low | 39.7 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -141.5 | 23.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 206 | T | 40.1 | Very low | 38.8 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 92% | 0.92 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -166.7 | 130.3 | 159.4 | -1.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 207 | G | 30.9 | Very low | 38.2 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | 137.2 | 85.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 208 | G | 28.9 | Very low | 37.5 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 175 | 90.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 209 | R | 35.4 | Very low | 36.7 | Very low | 260 Ų | 260 | 134.3 Ų | 134.3 | 98% | 0.981 | 80% | 0.796 | S | S | * | * | trans | -151.1 | 133.4 | 164.8 | -78.8 | -169 | 176.9 | -125.3 | 1.3 | 109.1 | ||||
| 210 | G | 31.6 | Very low | 36.2 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 159.8 | 96.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 211 | A | 31.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 97% | 0.967 | 81% | 0.811 | S | S | * | * | trans | 61.9 | 148.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 212 | G | 30.4 | Very low | 34.6 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 147.8 | 105.7 | 169 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 213 | Q | 31.9 | Very low | 33.9 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -68.6 | 149.6 | -168.3 | -71.1 | 159.4 | -47 | 0 | 0 | 118.8 | ||||
| 214 | D | 33.7 | Very low | 33.2 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | 73.1 | 146.2 | 132.5 | -161.7 | 34.6 | 0 | 0 | 0 | 123 | ||||
| 215 | K | 36 | Very low | 32.6 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | 65 | 142.7 | 174.6 | -45.1 | -170.9 | -177.3 | 176.8 | 0 | 117.7 | ||||
| 216 | G | 31.7 | Very low | 31.9 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | cis | 174.2 | 161.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 217 | E | 34.9 | Very low | 31.7 | Very low | 195 Ų | 195 | 133.4 Ų | 133.4 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | 67.2 | 113.9 | 173.1 | -54.1 | -174 | 115.2 | 0 | 0 | 116.3 | ||||
| 218 | A | 32.7 | Very low | 32.1 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 85.1 | 144.7 | 96.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 219 | M | 30.4 | Very low | 32.2 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | cis | -158.1 | 145.8 | 22.9 | 169.5 | 174.8 | 175.2 | 0 | 0 | 112.2 | ||||
| 220 | E | 31.8 | Very low | 32.1 | Very low | 144 Ų | 144 | 135 Ų | 135 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | 51.8 | 106.7 | 149.1 | -142.3 | 150.9 | 118.4 | 0 | 0 | 121.6 | ||||
| 221 | L | 28.3 | Very low | 32.1 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | 71.6 | 126.4 | 89.3 | -64.9 | -177.2 | 0 | 0 | 0 | 118.6 | |||||
| 222 | Q | 27.7 | Very low | 32.1 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | 169.6 | 160.6 | 127.2 | -93.9 | 173.7 | 30.1 | 0 | 0 | 111.7 | |||||
| 223 | S | 29.5 | Very low | 32.2 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | -176 | 99.8 | -79.3 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 224 | V | 31.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | trans | 58.1 | 160 | 146.6 | -120.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 225 | N | 28.5 | Very low | 32.8 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | 78.8 | 145.8 | 158.5 | -63.5 | -3.3 | 0 | 0 | 0 | 118.1 | ||||
| 226 | S | 32.7 | Very low | 32.7 | Very low | 85 Ų | 85 | 135.5 Ų | 135.5 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | cis | -155.1 | 149.8 | 2.8 | -103.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 227 | D | 35.2 | Very low | 32.9 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | 40.7 | 151.1 | 117.6 | -39.7 | -34.9 | 0 | 0 | 0 | 121.1 | |||||
| 228 | E | 39.6 | Very low | 32.7 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | cis | -170.5 | -174.3 | -7 | -111.3 | -102.4 | 74.8 | 0 | 0 | 110 | ||||
| 229 | E | 31.4 | Very low | 32.9 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | trans | 72.3 | 148.9 | 167.2 | -95.4 | -168.5 | 107.8 | 0 | 0 | 118.7 | ||||
| 230 | K | 32.8 | Very low | 32.9 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 61% | 0.609 | 73% | 0.728 | S | S | * | * | cis | -154 | 144.7 | 7.3 | -158.8 | 173.8 | -178.6 | 47.2 | 0 | 112.4 | ||||
| 231 | E | 32.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | trans | 37.5 | 144.5 | 152.2 | -76.7 | 169.7 | 64.8 | 0 | 0 | 122.2 | ||||
| 232 | N | 31.1 | Very low | 33.2 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | cis | -158.8 | 164.4 | 29.2 | -124.9 | -41.4 | 0 | 0 | 0 | 113.2 | ||||
| 233 | Q | 33.2 | Very low | 33.6 | Very low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | trans | -137 | -175.3 | 173.2 | -122 | -161.3 | 96.3 | 0 | 0 | 108.9 | ||||
| 234 | P | 46 | Very low | 33.7 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | cis | -115.7 | -146.2 | 16.4 | 32.5 | -8.9 | 0 | 0 | 0 | 111.2 | ||||
| 235 | L | 31.1 | Very low | 33.6 | Very low | 140 Ų | 140 | 138 Ų | 138 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | -157 | 169.8 | 6.5 | -154.9 | 54 | 0 | 0 | 0 | 105.7 | ||||
| 236 | V | 35.4 | Very low | 33.8 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | -147.6 | 168.5 | 22.8 | -159.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 237 | E | 34 | Very low | 34 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -78 | -177.4 | 171.4 | -49.7 | 154.6 | 112 | 0 | 0 | 111.5 | ||||
| 238 | D | 31.1 | Very low | 33.9 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | -154.9 | 165.3 | 8.5 | -167.9 | 22.3 | 0 | 0 | 0 | 113.2 | ||||
| 239 | S | 36.8 | Very low | 33.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 10.4 | 159.5 | 150.1 | -64.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 240 | G | 30.2 | Very low | 33.8 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | 158.4 | 82.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 241 | G | 32.4 | Very low | 33.9 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 156.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 242 | L | 35.8 | Very low | 34 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 70.3 | 119.4 | 142.2 | -85 | 66.4 | 0 | 0 | 0 | 122.7 | ||||
| 243 | K | 34.8 | Very low | 34.1 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | 79.7 | 118.3 | 128.1 | -71.3 | 175.7 | -173.5 | 166.7 | 0 | 122.1 | |||||
| 244 | K | 31 | Very low | 34.1 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 110.6 | 91.4 | 118.4 | -163.1 | 179 | -179.1 | -173 | 0 | 121.4 | |||||
| 245 | R | 31.1 | Very low | 34.4 | Very low | 204 Ų | 204 | 137.9 Ų | 137.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | 73.5 | 150.4 | 133.8 | -77.1 | -174.7 | 165.2 | -126.4 | 4.1 | 123.4 | ||||
| 246 | H | 32.6 | Very low | 34.5 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 89.3 | 71.3 | 149.9 | -75.8 | -62.5 | 0 | 0 | 0 | 122.8 | ||||
| 247 | S | 36.2 | Very low | 34.5 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | 41.8 | 124 | 110.4 | 166.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 248 | T | 33.5 | Very low | 34.6 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -151.7 | 125 | 139.5 | 12.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 249 | R | 36.5 | Very low | 34.5 | Very low | 243 Ų | 243 | 136 Ų | 136 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | 49.7 | 130.1 | 128.4 | -157.5 | -177.7 | -161.2 | -176.5 | 4.9 | 120.7 | |||||
| 250 | G | 31.8 | Very low | 34.2 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 142.4 | 142.6 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 251 | S | 34.5 | Very low | 34 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -160.8 | 132.9 | 163 | -83.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 252 | A | 34.8 | Very low | 34 | Very low | 91 Ų | 91 | 150.6 Ų | 150.6 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | cis | 87 | 133.4 | 40.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 253 | K | 33.7 | Very low | 33.6 | Very low | 207 Ų | 207 | 154.7 Ų | 154.7 | 90% | 0.9 | 79% | 0.793 | S | S | * | * | cis | -167.9 | 158.2 | -15.6 | -123.7 | 176.6 | -176.1 | 178.9 | 0 | 109.5 | ||||
| 254 | S | 33.3 | Very low | 33.2 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -115.8 | 170 | 169.6 | -46.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 255 | P | 51.3 | Low | 33.1 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | -156.6 | 154.7 | 124.6 | 36.9 | -17.6 | 0 | 0 | 0 | 120.1 | |||||
| 256 | V | 33 | Very low | 33 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 81.6 | 163 | 138.8 | 166.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 257 | S | 37 | Very low | 32.8 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -153.7 | 153.7 | -153.3 | 56.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 258 | Q | 34.6 | Very low | 32.5 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -170.8 | 168.4 | 161.9 | -87.3 | -135.7 | 86.8 | 0 | 0 | 110.6 | ||||
| 259 | N | 29.2 | Very low | 32.3 | Very low | 109 Ų | 109 | 151.9 Ų | 151.9 | 58% | 0.583 | 79% | 0.788 | S | S | * | * | cis | -171.7 | 143.3 | -36.2 | -169.1 | 3.8 | 0 | 0 | 0 | 111.1 | ||||
| 260 | R | 30.6 | Very low | 31.9 | Very low | 217 Ų | 217 | 149.6 Ų | 149.6 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | 39.8 | 137.2 | 158.3 | -83.3 | 164.7 | -170.6 | -119.6 | 2.1 | 123.6 | ||||
| 261 | R | 26.8 | Very low | 31.8 | Very low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | -157.7 | 173.1 | 106.4 | -128.1 | -175.7 | -177.5 | -165.4 | 1.6 | 113.8 | |||||
| 262 | S | 31.9 | Very low | 31.4 | Very low | 106 Ų | 106 | 157.4 Ų | 157.4 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -154.5 | 147.4 | -172.7 | -43.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 263 | R | 28 | Very low | 30.9 | Very low | 229 Ų | 229 | 165.2 Ų | 165.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -150.8 | 128.5 | 162.8 | -86.5 | -164 | 163.2 | 179.2 | -6.1 | 106.6 | ||||
| 264 | S | 26.4 | Very low | 30.6 | Very low | 97 Ų | 97 | 160.8 Ų | 160.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | 60.2 | 105.3 | 65 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 265 | R | 29.4 | Very low | 30.4 | Very low | 240 Ų | 240 | 167.5 Ų | 167.5 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | 87.1 | 98.7 | 51.4 | -175.1 | -159.6 | -171.4 | -162 | 4.3 | 112.3 | |||||
| 266 | E | 27.8 | Very low | 29.1 | Very low | 203 Ų | 203 | 166.9 Ų | 166.9 | 95% | 0.949 | 80% | 0.802 | S | S | * | * | trans | -172.2 | 160 | 153.8 | -107.6 | 158.9 | -152.5 | 0 | 0 | 108.2 | ||||
| 267 | G | 27.6 | Very low | 28.9 | Very low | 59 Ų | 59 | 164.8 Ų | 164.8 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 170 | 127.7 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 268 | E | 31.4 | Very low | 28.4 | Very low | 154 Ų | 154 | 169.9 Ų | 169.9 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 67.8 | 168.2 | 150.6 | -53.8 | -154.3 | 98.5 | 0 | 0 | 119.4 | ||||
| 269 | K | 28.8 | Very low | 27.9 | Very low | 159 Ų | 159 | 167.9 Ų | 167.9 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | cis | -148.9 | 124.8 | -5.4 | -125.8 | 145.8 | -176.9 | 152.1 | 0 | 106.6 | ||||
| 270 | K | 28.8 | Very low | 27.9 | Very low | 196 Ų | 196 | 167.9 Ų | 167.9 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | 64.3 | 108.1 | 81.6 | -95.9 | -172.8 | 177.3 | 178.1 | 0 | 117.9 | |||||
| 271 | S | 27.9 | Very low | 27.8 | Very low | 116 Ų | 116 | 162.6 Ų | 162.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -162.3 | 167.1 | 137.7 | 72.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 272 | R | 27.8 | Very low | 27.8 | Very low | 241 Ų | 241 | 156.8 Ų | 156.8 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | -153 | 137.3 | -50.6 | -95.7 | -172.2 | -166.4 | -152.1 | 4.2 | 106.8 | |||||
| 273 | R | 24.5 | Very low | 27.6 | Very low | 256 Ų | 256 | 160.3 Ų | 160.3 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | trans | -149.2 | 131.6 | 148.6 | -154.7 | 170.7 | -169.9 | 177.2 | 3.3 | 110.1 | ||||
| 274 | S | 27.4 | Very low | 27.7 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -82.3 | 153 | -171 | -23.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 275 | R | 27.9 | Very low | 28 | Very low | 253 Ų | 253 | 157.3 Ų | 157.3 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | trans | -110.7 | 154 | 149.8 | -100.5 | -174.6 | 171.1 | -174.9 | -3.8 | 108.1 | ||||
| 276 | S | 25.3 | Very low | 28 | Very low | 104 Ų | 104 | 153.8 Ų | 153.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -132 | 132.8 | 170.1 | 52.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 277 | S | 27 | Very low | 28.1 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | 30.9 | 142.3 | 136.4 | 57.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 278 | R | 27.6 | Very low | 28.2 | Very low | 213 Ų | 213 | 153.8 Ų | 153.8 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -168.7 | 153.1 | 3.1 | -117.9 | -172 | 159.7 | 150 | -1.3 | 110.9 | ||||
| 279 | D | 23.6 | Very low | 28.2 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 65% | 0.647 | 81% | 0.814 | S | S | * | * | trans | 40.7 | 161.3 | 133.5 | -49.2 | -15.7 | 0 | 0 | 0 | 123.4 | ||||
| 280 | S | 29.7 | Very low | 28 | Very low | 108 Ų | 108 | 155 Ų | 155 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | 73.8 | 117.5 | 170.5 | -55.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 281 | S | 27.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | 71.1 | 134.3 | 54.9 | 80.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 282 | S | 28.4 | Very low | 27.8 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -156.9 | 163.6 | 7.4 | 41 | 0 | 0 | 0 | 0 | 111 | ||||
| 283 | L | 26.5 | Very low | 27.8 | Very low | 180 Ų | 180 | 151 Ų | 151 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 145.6 | 174.7 | -77.6 | 169 | 0 | 0 | 0 | 112.4 | ||||
| 284 | A | 31.4 | Very low | 28 | Very low | 89 Ų | 89 | 148.6 Ų | 148.6 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -148.5 | 107.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 285 | E | 31.9 | Very low | 27.8 | Very low | 175 Ų | 175 | 151.9 Ų | 151.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 89 | 106.6 | 80.2 | -82.4 | -172.5 | 167 | 0 | 0 | 112.9 | |||||
| 286 | D | 29.1 | Very low | 27.7 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | 53.3 | 137.5 | 143.4 | -59.4 | 0.9 | 0 | 0 | 0 | 123 | ||||
| 287 | G | 30.3 | Very low | 28.2 | Very low | 79 Ų | 79 | 149 Ų | 149 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 166.7 | 80.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 288 | E | 30.6 | Very low | 28.3 | Very low | 183 Ų | 183 | 156.2 Ų | 156.2 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -77.8 | 130.7 | 173.7 | -60.3 | -174.9 | 113 | 0 | 0 | 111.9 | ||||
| 289 | Q | 29.7 | Very low | 28.5 | Very low | 187 Ų | 187 | 149.3 Ų | 149.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | 178.2 | 122.7 | 130.5 | -97.9 | 152.4 | 102.1 | 0 | 0 | 115.2 | ||||
| 290 | L | 25.6 | Very low | 29 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 23.4 | 126.7 | 119.6 | -107.2 | 164.3 | 0 | 0 | 0 | 120.2 | |||||
| 291 | I | 26.6 | Very low | 29.1 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 70% | 0.697 | 81% | 0.807 | S | S | * | * | trans | 148.4 | 105.1 | 130.9 | -77.7 | 156.6 | 0 | 0 | 0 | 114.5 | ||||
| 292 | T | 26.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 59.6 | 171.8 | 157.5 | 68.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 293 | K | 27.8 | Very low | 29.7 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | cis | -145.8 | -179.6 | 13.4 | -156.7 | 170.4 | 177.5 | 179.2 | 0 | 111.3 | ||||
| 294 | R | 27.2 | Very low | 30.3 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | -124.9 | 166.2 | -170.8 | -165.5 | -172.7 | -176.4 | -171.7 | 5.9 | 108.9 | ||||
| 295 | Y | 24.3 | Very low | 30.6 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | 74.1 | 150.6 | 176.6 | -74 | -110.1 | 0 | 0 | 0 | 115.9 | ||||
| 296 | Q | 26 | Very low | 30.9 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | cis | -162.4 | 144 | -18.8 | 170.8 | 171.3 | 17.2 | 0 | 0 | 112.8 | ||||
| 297 | E | 35.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -3 | 126.5 | 147.4 | 179.6 | -170.9 | -140.4 | 0 | 0 | 121.3 | ||||
| 298 | R | 30 | Very low | 31.7 | Very low | 253 Ų | 253 | 147.3 Ų | 147.3 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | trans | -178.6 | 147.7 | 140.7 | -100 | 175.9 | -176.7 | -159.8 | 0.5 | 106.9 | ||||
| 299 | G | 31.6 | Very low | 32.1 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | 156.2 | 153 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 300 | S | 33.3 | Very low | 32.4 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 99% | 0.993 | 78% | 0.778 | S | S | * | * | trans | 73.5 | 148.1 | 179.8 | -156.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 301 | G | 32.2 | Very low | 32.8 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 139.4 | 107 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 302 | D | 33.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 96% | 0.957 | 79% | 0.785 | S | S | * | * | trans | -99.3 | 155.1 | 176.2 | -164.3 | -0.7 | 0 | 0 | 0 | 110.4 | ||||
| 303 | G | 34 | Very low | 33.7 | Very low | 57 Ų | 57 | 146.2 Ų | 146.2 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | trans | 142.2 | 134.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 304 | D | 39.5 | Very low | 34.1 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | -38.8 | 133 | 175.2 | 175.1 | 15.9 | 0 | 0 | 0 | 115.7 | S306 | D304-S306 PolarHBondContact OD1-N 3.14Å; D304-S306 PolarHBondContact OD1-OG 3.18Å | ||
| 305 | M | 37.7 | Very low | 34.3 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 68.5 | 169.6 | -78.6 | -69.5 | 152.1 | 0 | 0 | 111.2 | V307 | M305-V307 PolarHBondContact O-N 3.25Š| ||
| 306 | S | 38.3 | Very low | 34.8 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 108.5 | 169.5 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | D304 | D304-S306 PolarHBondContact OD1-N 3.14Å; D304-S306 PolarHBondContact OD1-OG 3.18Å | ||
| 307 | V | 36.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 126.9 | -175.3 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | M305 | M305-V307 PolarHBondContact O-N 3.25Š|
| 308 | P | 39.8 | Very low | 35.4 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78 | 126.9 | 176 | 30.4 | -33.6 | 0 | 0 | 0 | 112.4 | ||
| 309 | I | 39.7 | Very low | 35.6 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 141.2 | 167.7 | -65.6 | 177.7 | 0 | 0 | 0 | 108.8 | Q311 | I309-Q311 PolarHBondContact O-N 3.37Š|
| 310 | P | 35.3 | Very low | 36 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 117.9 | -170.8 | -20.1 | 33.2 | 0 | 0 | 0 | 113.6 | ||
| 311 | Q | 33.7 | Very low | 36.1 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118 | 166.5 | -68.9 | -175.9 | -12.1 | 0 | 0 | 110.2 | I309 H313 | I309-Q311 PolarHBondContact O-N 3.37Å; Q311-H313 PolarHBondContact O-N 3.42Å |
| 312 | N | 36.9 | Very low | 36.1 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -84.5 | 106.8 | 165.6 | -86 | -21 | 0 | 0 | 0 | 109.1 | ||||
| 313 | H | 36.1 | Very low | 36.2 | Very low | 170 Ų | 170 | 123.7 Ų | 123.7 | 79% | 0.787 | 81% | 0.806 | S | S | * | * | trans | -62.1 | 136.2 | 175.2 | -61.8 | -87.6 | 0 | 0 | 0 | 112 | Q311 | Q311-H313 PolarHBondContact O-N 3.42Š| ||
| 314 | C | 35.3 | Very low | 36.7 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -136.2 | 133.6 | 162.3 | -78.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 315 | G | 32.4 | Very low | 36.5 | Very low | 85 Ų | 85 | 123.2 Ų | 123.2 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -55.3 | 133.1 | -154 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 316 | A | 35.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 122 Ų | 122 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | trans | -77.7 | 143.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 317 | G | 36.1 | Very low | 37 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | -121.7 | 128.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 318 | E | 37.5 | Very low | 37.7 | Very low | 199 Ų | 199 | 120.4 Ų | 120.4 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -79.8 | 145.3 | -174.7 | -68 | 173.2 | 85 | 0 | 0 | 112.4 | ||||
| 319 | G | 34.7 | Very low | 37.7 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 83% | 0.825 | S | S | * | * | trans | -164.1 | 43.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 320 | H | 38.5 | Very low | 37.9 | Very low | 186 Ų | 186 | 121 Ų | 121 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | 29.3 | 100.3 | 159.4 | -76 | -102.4 | 0 | 0 | 0 | 120.2 | ||||
| 321 | G | 35.8 | Very low | 38.5 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 91% | 0.907 | 82% | 0.815 | S | S | * | * | 57.9 | 108 | 122.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 322 | G | 32.3 | Very low | 39.8 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -134.1 | 150.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 323 | A | 35.5 | Very low | 41.1 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -86.2 | 165.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 324 | A | 44.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 112.3 Ų | 112.3 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -70.5 | 149 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 325 | G | 34.1 | Very low | 46.1 | Very low | 64 Ų | 64 | 108 Ų | 108 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | -147 | 123.7 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | G327 | G325-G327 PolarHBondContact O-N 3.18Š| ||
| 326 | P | 53.5 | Low | 49.1 | Very low | 145 Ų | 145 | 104 Ų | 104 | 94% | 0.942 | 71% | 0.712 | S | S | * | * | trans | -80.6 | 71.4 | 179.4 | 33.2 | -34.5 | 0 | 0 | 0 | 110.6 | ||||
| 327 | G | 34.7 | Very low | 51.8 | Low | 67 Ų | 67 | 100.7 Ų | 100.7 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | trans | -89.8 | 113.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G325 D329 | G325-G327 PolarHBondContact O-N 3.18Å; G327-D329 PolarHBondContact O-N 3.23Å | ||
| 328 | S | 50.6 | Low | 54.5 | Low | 126 Ų | 126 | 100.1 Ų | 100.1 | 88% | 0.881 | 66% | 0.655 | S | S | * | * | trans | -76.6 | 89.1 | 173.4 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 329 | D | 40.4 | Very low | 57.2 | Low | 128 Ų | 128 | 93.2 Ų | 93.2 | 68% | 0.684 | 63% | 0.627 | S | S | * | * | trans | -113.5 | 76 | 161.2 | -158 | -23.8 | 0 | 0 | 0 | 108.3 | G327 S331 | G327-D329 PolarHBondContact O-N 3.23Å; D329-S331 PolarHBondContact O-N 3.15Å; D329-S331 WeakPolarHBondContact OD1-CB 3.44Å; D329-S331 PolarHBondContact OD1-N 3.48Å; D329-S331 PolarHBondContact OD1-OG 3.13Å | ||
| 330 | D | 42.3 | Very low | 59.9 | Low | 154 Ų | 154 | 96.6 Ų | 96.6 | 82% | 0.824 | 62% | 0.623 | S | S | * | * | trans | -75.6 | 60.2 | 164.8 | -167.1 | 23.4 | 0 | 0 | 0 | 108.1 | E332 | D330-E332 VanDerWaalsContact C-N 3.34Å; D330-E332 PolarHBondContact O-N 2.72Å | ||
| 331 | S | 49.2 | Very low | 62.4 | Low | 75 Ų | 75 | 91.1 Ų | 91.1 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | trans | -59.2 | 99.5 | 167.7 | -88.1 | 0 | 0 | 0 | 0 | 107 | D329 L333 | D329-S331 PolarHBondContact O-N 3.15Å; D329-S331 WeakPolarHBondContact OD1-CB 3.44Å; D329-S331 PolarHBondContact OD1-N 3.48Å; D329-S331 PolarHBondContact OD1-OG 3.13Å; S331-L333 PolarHBondContact O-N 3.05Å | ||
| 332 | E | 60.3 | Low | 65 | Low | 131 Ų | 131 | 92.7 Ų | 92.7 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | trans | -45.3 | 98.2 | 178 | -77.6 | -168.2 | 99 | 0 | 0 | 109.1 | D330 E334 | D330-E332 VanDerWaalsContact C-N 3.34Å; D330-E332 PolarHBondContact O-N 2.72Å; E332-E334 PolarHBondContact O-N 2.88Å | ||
| 333 | L | 65.1 | Low | 67.6 | Low | 117 Ų | 117 | 90.7 Ų | 90.7 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | trans | -57.9 | 120.2 | -173.3 | -73.5 | 173.1 | 0 | 0 | 0 | 107.9 | S331 V335 | S331-L333 PolarHBondContact O-N 3.05Å; L333-V335 VanDerWaalsContact C-N 3.3Å; L333-V335 HydrophobicContact CB-CG1 4.13Å; L333-V335 PolarHBondContact O-N 3.42Å | ||
| 334 | E | 84.6 | Confident | 70 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | trans | -64.6 | 97.6 | 177.9 | -63.2 | -164.1 | 172.3 | 0 | 0 | 107.4 | E332 L349 F361 | E332-E334 PolarHBondContact O-N 2.88Å; E334-L349 VanDerWaalsContact C-CD1 3.45Å; E334-L349 HydrophobicContact CB-CD1 3.72Å; E334-L349 WeakPolarHBondContact O-CD1 3.42Å; E334-F361 HydrophobicContact CB-CD1 4.29Å; E334-F361 HydrophobicContact CB-CD2 4.35Å; E334-F361 HydrophobicContact CB-CE1 4.37Å; E334-F361 HydrophobicContact CB-CE2 4.42Å; E334-F361 HydrophobicContact CB-CG 4.29Å; E334-F361 HydrophobicContact CB-CZ 4.43Å; E334-F361 HydrophobicContact CG-CD1 4.25Å; E334-F361 HydrophobicContact CG-CD2 4.29Å; E334-F361 HydrophobicContact CG-CE1 3.83Å; E334-F361 HydrophobicContact CG-CE2 3.86Å; E334-F361 HydrophobicContact CG-CG 4.47Å; E334-F361 HydrophobicContact CG-CZ 3.61Å; E334-F361 VanDerWaalsContact OE1-CE1 3.27Å; E334-F361 WeakPolarHBondContact OE1-CE1 3.05Å; E334-F361 WeakPolarHBondContact OE1-CZ 3.1Å; E334-F361 WeakPolarHBondContact OE2-CE1 3.43Å | ||
| 335 | V | 91.9 | Very high | 71.6 | Confident | 35 Ų | 35 | 94.2 Ų | 94.2 | 21% | 0.212 | 55% | 0.55 | C | S | . | * | B | Isolated β-bridge | trans | -118.4 | 142.1 | -179.9 | -65.4 | 0 | 0 | 0 | 0 | 110 | L333 R337 C341 E342 | L333-V335 VanDerWaalsContact C-N 3.3Å; L333-V335 HydrophobicContact CB-CG1 4.13Å; L333-V335 PolarHBondContact O-N 3.42Å; V335-R337 PolarHBondContact O-N 3Å; V335-C341 WeakPolarHBondContact CA-O 3.46Å; V335-E342 HydrophobicContact CG1-CG 3.87Å |
| 336 | C | 93.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 98.4 Ų | 98.4 | 0% | 0 | 56% | 0.557 | C | S | . | * | trans | -65.2 | 117 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | I338 C339 H340 C341 L349 H363 | C336-I338 PolarHBondContact O-N 2.86Å; C336-C339 VanDerWaalsContact CB-SG 3.57Å; C336-C339 PolarHBondContact O-N 2.98Å; C336-H340 WeakPolarHBondContact O-CA 3.35Å; C336-H340 PolarHBondContact O-N 2.8Å; C336-C341 PolarHBondContact N-O 2.9Å; C336-L349 HydrophobicContact CB-CD2 3.65Å; C336-H363 WeakPolarHBondContact CB-CE1 3.19Å; C336-H363 WeakPolarHBondContact CB-ND1 3.37Å; C336-H363 PolarHBondContact SG-N 2.73Å; C336-H363 PolarHBondContact SG-ND1 3.2Å; C336-H363 VanDerWaalsContact SG-ND1 3.42Å | ||
| 337 | R | 92.8 | Very high | 75.1 | Confident | 39 Ų | 39 | 95 Ų | 95 | 15% | 0.147 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -0.2 | -179.9 | 84 | -173.5 | -152.9 | -163.6 | 4.6 | 116.5 | V335 L359 F361 V362 C379 E380 | V335-R337 PolarHBondContact O-N 3Å; R337-L359 HydrophobicContact CB-CD2 4.42Å; R337-L359 WeakPolarHBondContact CD-O 3.01Å; R337-L359 PolarHBondContact NH1-O 2.97Å; R337-F361 PolarHBondContact N-O 2.78Å; R337-V362 HydrophobicContact CG-CG2 4.13Å; R337-C379 PolarHBondContact NH2-SG 3.4Å; R337-E380 IonicContact CZ-OE1 3.85Å; R337-E380 IonicContact NH2-OE1 2.76Å; R337-E380 PolarHBondContact NH2-OE1 3.39Å |
| 338 | I | 92.6 | Very high | 77.6 | Confident | 65 Ų | 65 | 95.5 Ų | 95.5 | 33% | 0.333 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -31.6 | -177.3 | -59.7 | -177.7 | 0 | 0 | 0 | 112.1 | C336 V362 C366 W370 | C336-I338 PolarHBondContact O-N 2.86Å; I338-V362 HydrophobicContact CD1-CG1 3.45Å; I338-V362 VanDerWaalsContact CD1-CG1 3.45Å; I338-V362 HydrophobicContact CG1-CG1 3.9Å; I338-C366 HydrophobicContact CB-CB 4.02Å; I338-C366 HydrophobicContact CD1-CB 4.14Å; I338-C366 HydrophobicContact CG2-CB 4.04Å; I338-W370 HydrophobicContact CD1-CB 4.18Å |
| 339 | C | 93.3 | Very high | 79.6 | Confident | 53 Ų | 53 | 90.9 Ų | 90.9 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -9 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 114.3 | C336 C341 H363 | C336-C339 VanDerWaalsContact CB-SG 3.57Å; C336-C339 PolarHBondContact O-N 2.98Å; C339-C341 PolarHBondContact O-N 3.26Å; C339-H363 VanDerWaalsContact SG-CE1 3.56Å; C339-H363 PolarHBondContact SG-ND1 3.22Å; C339-H363 VanDerWaalsContact SG-ND1 3.37Å |
| 340 | H | 91.8 | Very high | 82 | Confident | 145 Ų | 145 | 85.8 Ų | 85.8 | 67% | 0.671 | 47% | 0.465 | S | S | * | . | trans | 56.9 | 34 | -177.1 | -47.3 | 148.7 | 0 | 0 | 0 | 113.7 | C336 | C336-H340 WeakPolarHBondContact O-CA 3.35Å; C336-H340 PolarHBondContact O-N 2.8Å | ||
| 341 | C | 90.8 | Very high | 84.5 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 48% | 0.48 | 43% | 0.434 | S | S | . | . | trans | -109.9 | 148.9 | 169.6 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | V335 C336 C339 H363 | V335-C341 WeakPolarHBondContact CA-O 3.46Å; C336-C341 PolarHBondContact N-O 2.9Å; C339-C341 PolarHBondContact O-N 3.26Å; C341-H363 PolarHBondContact O-CE1 3.28Å | ||
| 342 | E | 91.3 | Very high | 86.5 | Confident | 122 Ų | 122 | 76.2 Ų | 76.2 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -63.1 | 168.6 | 176.3 | -66.9 | 163.5 | -157 | 0 | 0 | 112.7 | V335 H363 | V335-E342 HydrophobicContact CG1-CG 3.87Å; E342-H363 PolarHBondContact O-CE1 3.36Å; E342-H363 PolarHBondContact O-NE2 3.21Å |
| 343 | G | 87.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | trans | -77.5 | 146.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 344 | D | 85.2 | Confident | 89.3 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -131.7 | 160.7 | 174.1 | -177.7 | 21.2 | 0 | 0 | 0 | 109.4 | D346 C347 P348 | D344-D346 PolarHBondContact O-N 3Å; D344-C347 PolarHBondContact N-O 3.28Å; D344-C347 CarbonylContact O-C 3.54Å; D344-C347 WeakPolarHBondContact O-CA 3.5Å; D344-C347 PolarHBondContact O-N 3.06Å; D344-P348 WeakPolarHBondContact O-CA 3.5Å |
| 345 | E | 79.1 | Confident | 89.6 | Confident | 188 Ų | 188 | 65.1 Ų | 65.1 | 88% | 0.879 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -36.8 | -179.4 | -70.1 | -71.7 | 136.5 | 0 | 0 | 112.2 | ||
| 346 | D | 77.8 | Confident | 89.5 | Confident | 152 Ų | 152 | 69.4 Ų | 69.4 | 81% | 0.813 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -18.1 | 175.1 | -104.8 | -25.2 | 0 | 0 | 0 | 113.2 | D344 | D344-D346 PolarHBondContact O-N 3Š|
| 347 | C | 82.1 | Confident | 89.2 | Confident | 75 Ų | 75 | 70.9 Ų | 70.9 | 51% | 0.507 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -143.4 | 69.4 | -176.7 | -82.7 | 0 | 0 | 0 | 0 | 112.2 | D344 H363 | D344-C347 PolarHBondContact N-O 3.28Å; D344-C347 CarbonylContact O-C 3.54Å; D344-C347 WeakPolarHBondContact O-CA 3.5Å; D344-C347 PolarHBondContact O-N 3.06Å; C347-H363 PolarHBondContact O-CD2 2.86Å |
| 348 | P | 88.3 | Confident | 88.8 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 49% | 0.494 | 41% | 0.407 | S | S | . | . | trans | -68.8 | 154.7 | -178.8 | 26.2 | -35.1 | 0 | 0 | 0 | 112.7 | D344 | D344-P348 WeakPolarHBondContact O-CA 3.5Š| ||
| 349 | L | 91.8 | Very high | 88.5 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 152.3 | 171.7 | -67.1 | 166.4 | 0 | 0 | 0 | 111 | E334 C336 F361 H363 | E334-L349 VanDerWaalsContact C-CD1 3.45Å; E334-L349 HydrophobicContact CB-CD1 3.72Å; E334-L349 WeakPolarHBondContact O-CD1 3.42Å; C336-L349 HydrophobicContact CB-CD2 3.65Å; L349-F361 HydrophobicContact CD1-CB 4.39Å; L349-F361 HydrophobicContact CD2-CB 4.43Å; L349-H363 VanDerWaalsContact CD2-CD2 3.46Å; L349-H363 WeakPolarHBondContact CD2-CD2 3.23Å |
| 350 | I | 92 | Very high | 88.4 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 11% | 0.108 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 154.2 | 175.6 | 55 | 160.5 | 0 | 0 | 0 | 110 | P352 V362 Q364 L367 V508 N510 | I350-P352 VanDerWaalsContact C-CD 3.43Å; I350-P352 HydrophobicContact CD1-CB 4.42Å; I350-P352 WeakPolarHBondContact O-CD 3.44Å; I350-V362 WeakPolarHBondContact CG1-O 3.29Å; I350-V362 PolarHBondContact N-O 3.18Å; I350-V362 PolarHBondContact O-N 3.13Å; I350-Q364 HydrophobicContact CD1-CB 4.24Å; I350-Q364 VanDerWaalsContact CD1-NE2 3.3Å; I350-L367 HydrophobicContact CD1-CD2 3.7Å; I350-V508 HydrophobicContact CD1-CB 4.49Å; I350-N510 VanDerWaalsContact CA-OD1 3.24Å; I350-N510 WeakPolarHBondContact CA-OD1 3.4Å; I350-N510 WeakPolarHBondContact CB-OD1 3.43Å; I350-N510 WeakPolarHBondContact CG2-OD1 3.28Å |
| 351 | T | 93.1 | Very high | 88.4 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 17% | 0.166 | 37% | 0.374 | C | S | . | . | trans | -109.5 | 71.6 | 178.6 | 47.8 | 0 | 0 | 0 | 0 | 109.9 | C353 F361 N510 C511 | T351-C353 PolarHBondContact O-N 3.46Å; T351-F361 HydrophobicContact CG2-CD1 3.83Å; T351-F361 HydrophobicContact CG2-CE1 3.87Å; T351-N510 PolarHBondContact N-OD1 3.03Å; T351-N510 WeakPolarHBondContact O-CA 3.03Å; T351-N510 VanDerWaalsContact OG1-CG 3.25Å; T351-N510 PolarHBondContact OG1-ND2 3.4Å; T351-C511 WeakPolarHBondContact O-CB 3.32Å; T351-C511 PolarHBondContact O-N 3.02Å | ||
| 352 | P | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | trans | -70.1 | -7.7 | -165.8 | 32.4 | -41.6 | 0 | 0 | 0 | 114.8 | I350 V362 L367 F386 V508 | I350-P352 VanDerWaalsContact C-CD 3.43Å; I350-P352 HydrophobicContact CD1-CB 4.42Å; I350-P352 WeakPolarHBondContact O-CD 3.44Å; P352-V362 HydrophobicContact CG-CG2 3.92Å; P352-L367 HydrophobicContact CB-CD2 3.43Å; P352-L367 VanDerWaalsContact CB-CD2 3.43Å; P352-L367 HydrophobicContact CG-CD1 4.35Å; P352-L367 HydrophobicContact CG-CD2 3.69Å; P352-F386 HydrophobicContact CB-CD1 3.92Å; P352-F386 HydrophobicContact CB-CE1 4.05Å; P352-F386 HydrophobicContact CG-CE1 4.26Å; P352-V508 HydrophobicContact CB-CG1 3.78Å | ||
| 353 | C | 93.4 | Very high | 88.6 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.034 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -154.7 | 173.1 | -170.9 | 67.3 | 0 | 0 | 0 | 0 | 112.4 | T351 C355 C379 F384 F386 | T351-C353 PolarHBondContact O-N 3.46Å; C353-C355 PolarHBondContact O-N 2.93Å; C353-C355 VanDerWaalsContact O-N 3.14Å; C353-C355 VanDerWaalsContact SG-SG 3.68Å; C353-C379 HydrophobicContact CB-CB 3.63Å; C353-F384 HydrophobicContact CB-CB 4.37Å; C353-F384 HydrophobicContact CB-CD1 4.11Å; C353-F386 HydrophobicContact CB-CE1 4.17Å |
| 354 | R | 91.4 | Very high | 88.8 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -85.6 | 35.3 | -176.3 | -55.8 | -169.9 | -177.8 | -70.1 | 1.2 | 113.9 | F384 C511 P512 | R354-F384 HydrophobicContact CG-CB 4.41Å; R354-F384 HydrophobicContact CG-CD1 4.48Å; R354-F384 HydrophobicContact CG-CD2 3.96Å; R354-F384 HydrophobicContact CG-CE2 4.39Å; R354-F384 HydrophobicContact CG-CG 4.02Å; R354-C511 WeakPolarHBondContact CG-SG 3.37Å; R354-C511 PolarHBondContact NH1-SG 3.29Å; R354-P512 PolarHBondContact NH1-O 2.89Å |
| 355 | C | 90.9 | Very high | 89 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 14% | 0.142 | 32% | 0.319 | C | S | . | . | trans | -79.7 | 160.8 | 166.6 | -67.4 | 0 | 0 | 0 | 0 | 110 | C353 L359 S360 C382 | C353-C355 PolarHBondContact O-N 2.93Å; C353-C355 VanDerWaalsContact O-N 3.14Å; C353-C355 VanDerWaalsContact SG-SG 3.68Å; C355-L359 HydrophobicContact CB-CB 4.38Å; C355-L359 WeakPolarHBondContact CB-O 3.44Å; C355-S360 WeakPolarHBondContact O-CB 3.13Å; C355-C382 VanDerWaalsContact SG-SG 3.62Å | ||
| 356 | T | 89.2 | Confident | 89.6 | Confident | 126 Ų | 126 | 47.7 Ų | 47.7 | 77% | 0.773 | 29% | 0.287 | S | S | * | . | trans | -123 | 158.3 | -178.6 | 50.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 357 | G | 86.6 | Confident | 90.2 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | 62 | -157.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L359 S360 | G357-L359 PolarHBondContact O-N 3.06Å; G357-S360 VanDerWaalsContact O-CB 3.29Å; G357-S360 WeakPolarHBondContact O-CB 3.37Å; G357-S360 PolarHBondContact O-N 3.1Å; G357-S360 PolarHBondContact O-OG 2.83Å |
| 358 | S | 84.5 | Confident | 90.6 | Very high | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -48.6 | -27.9 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 115.9 | S360 | S358-S360 PolarHBondContact O-N 3.19Š|
| 359 | L | 87.1 | Confident | 90.7 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 45% | 0.45 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -75.1 | -4.7 | 177.4 | -63.1 | 179.7 | 0 | 0 | 0 | 114.4 | R337 C355 G357 L381 | R337-L359 HydrophobicContact CB-CD2 4.42Å; R337-L359 WeakPolarHBondContact CD-O 3.01Å; R337-L359 PolarHBondContact NH1-O 2.97Å; C355-L359 HydrophobicContact CB-CB 4.38Å; C355-L359 WeakPolarHBondContact CB-O 3.44Å; G357-L359 PolarHBondContact O-N 3.06Å; L359-L381 HydrophobicContact CB-CD1 4.49Å; L359-L381 HydrophobicContact CD1-CD1 4.01Å |
| 360 | S | 90.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -80.8 | -33.6 | 175.8 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | C355 G357 S358 | C355-S360 WeakPolarHBondContact O-CB 3.13Å; G357-S360 VanDerWaalsContact O-CB 3.29Å; G357-S360 WeakPolarHBondContact O-CB 3.37Å; G357-S360 PolarHBondContact O-N 3.1Å; G357-S360 PolarHBondContact O-OG 2.83Å; S358-S360 PolarHBondContact O-N 3.19Å |
| 361 | F | 92.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | trans | -89.1 | 134.3 | -170.2 | -56.1 | -76.7 | 0 | 0 | 0 | 113.7 | E334 R337 L349 T351 | E334-F361 HydrophobicContact CB-CD1 4.29Å; E334-F361 HydrophobicContact CB-CD2 4.35Å; E334-F361 HydrophobicContact CB-CE1 4.37Å; E334-F361 HydrophobicContact CB-CE2 4.42Å; E334-F361 HydrophobicContact CB-CG 4.29Å; E334-F361 HydrophobicContact CB-CZ 4.43Å; E334-F361 HydrophobicContact CG-CD1 4.25Å; E334-F361 HydrophobicContact CG-CD2 4.29Å; E334-F361 HydrophobicContact CG-CE1 3.83Å; E334-F361 HydrophobicContact CG-CE2 3.86Å; E334-F361 HydrophobicContact CG-CG 4.47Å; E334-F361 HydrophobicContact CG-CZ 3.61Å; E334-F361 VanDerWaalsContact OE1-CE1 3.27Å; E334-F361 WeakPolarHBondContact OE1-CE1 3.05Å; E334-F361 WeakPolarHBondContact OE1-CZ 3.1Å; E334-F361 WeakPolarHBondContact OE2-CE1 3.43Å; R337-F361 PolarHBondContact N-O 2.78Å; L349-F361 HydrophobicContact CD1-CB 4.39Å; L349-F361 HydrophobicContact CD2-CB 4.43Å; T351-F361 HydrophobicContact CG2-CD1 3.83Å; T351-F361 HydrophobicContact CG2-CE1 3.87Å | ||
| 362 | V | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.4 | 177.8 | -158.7 | 0 | 0 | 0 | 0 | 110.1 | R337 I338 I350 P352 C366 L367 | R337-V362 HydrophobicContact CG-CG2 4.13Å; I338-V362 HydrophobicContact CD1-CG1 3.45Å; I338-V362 VanDerWaalsContact CD1-CG1 3.45Å; I338-V362 HydrophobicContact CG1-CG1 3.9Å; I350-V362 WeakPolarHBondContact CG1-O 3.29Å; I350-V362 PolarHBondContact N-O 3.18Å; I350-V362 PolarHBondContact O-N 3.13Å; P352-V362 HydrophobicContact CG-CG2 3.92Å; V362-C366 HydrophobicContact CG1-CB 4.31Å; V362-L367 HydrophobicContact CB-CB 4.43Å; V362-L367 HydrophobicContact CG1-CB 3.85Å |
| 363 | H | 93.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 141.8 | 167.4 | -60.2 | 122 | 0 | 0 | 0 | 110.7 | C336 C339 C341 E342 C347 L349 G365 C366 L367 | C336-H363 WeakPolarHBondContact CB-CE1 3.19Å; C336-H363 WeakPolarHBondContact CB-ND1 3.37Å; C336-H363 PolarHBondContact SG-N 2.73Å; C336-H363 PolarHBondContact SG-ND1 3.2Å; C336-H363 VanDerWaalsContact SG-ND1 3.42Å; C339-H363 VanDerWaalsContact SG-CE1 3.56Å; C339-H363 PolarHBondContact SG-ND1 3.22Å; C339-H363 VanDerWaalsContact SG-ND1 3.37Å; C341-H363 PolarHBondContact O-CE1 3.28Å; E342-H363 PolarHBondContact O-CE1 3.36Å; E342-H363 PolarHBondContact O-NE2 3.21Å; C347-H363 PolarHBondContact O-CD2 2.86Å; L349-H363 VanDerWaalsContact CD2-CD2 3.46Å; L349-H363 WeakPolarHBondContact CD2-CD2 3.23Å; H363-G365 PolarHBondContact O-N 3.46Å; H363-G365 VanDerWaalsContact O-N 3.14Å; H363-C366 HydrophobicContact CB-CB 4.24Å; H363-C366 PolarHBondContact O-N 3.49Å; H363-L367 PolarHBondContact O-N 2.97Å |
| 364 | Q | 90.4 | Very high | 89.9 | Confident | 53 Ų | 53 | 57.4 Ų | 57.4 | 25% | 0.248 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.1 | -34.6 | 172.5 | 176 | 83.8 | 132.5 | 0 | 0 | 111.9 | I350 N368 V508 | I350-Q364 HydrophobicContact CD1-CB 4.24Å; I350-Q364 VanDerWaalsContact CD1-NE2 3.3Å; Q364-N368 WeakPolarHBondContact O-CB 3.47Å; Q364-N368 PolarHBondContact O-N 3.41Å; Q364-N368 PolarHBondContact O-ND2 3.41Å; Q364-V508 PolarHBondContact NE2-O 3.27Å; Q364-V508 PolarHBondContact OE1-O 3.09Å |
| 365 | G | 89.7 | Confident | 89.7 | Confident | 51 Ų | 51 | 59 Ų | 59 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -55.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H363 L367 N368 Q369 | H363-G365 PolarHBondContact O-N 3.46Å; H363-G365 VanDerWaalsContact O-N 3.14Å; G365-L367 PolarHBondContact O-N 3.02Å; G365-N368 PolarHBondContact O-N 2.98Å; G365-Q369 PolarHBondContact O-N 3.17Å |
| 366 | C | 91.6 | Very high | 89.6 | Confident | 30 Ų | 30 | 60.6 Ų | 60.6 | 20% | 0.203 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | -178.8 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | I338 V362 H363 N368 Q369 W370 | I338-C366 HydrophobicContact CB-CB 4.02Å; I338-C366 HydrophobicContact CD1-CB 4.14Å; I338-C366 HydrophobicContact CG2-CB 4.04Å; V362-C366 HydrophobicContact CG1-CB 4.31Å; H363-C366 HydrophobicContact CB-CB 4.24Å; H363-C366 PolarHBondContact O-N 3.49Å; C366-N368 PolarHBondContact O-N 2.83Å; C366-Q369 WeakPolarHBondContact O-CB 3.19Å; C366-Q369 PolarHBondContact O-N 3.39Å; C366-W370 PolarHBondContact O-N 3.42Å |
| 367 | L | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.8 | -175.4 | 67.2 | 0 | 0 | 0 | 112 | I350 P352 V362 H363 G365 Q369 W370 I371 F386 V508 | I350-L367 HydrophobicContact CD1-CD2 3.7Å; P352-L367 HydrophobicContact CB-CD2 3.43Å; P352-L367 VanDerWaalsContact CB-CD2 3.43Å; P352-L367 HydrophobicContact CG-CD1 4.35Å; P352-L367 HydrophobicContact CG-CD2 3.69Å; V362-L367 HydrophobicContact CB-CB 4.43Å; V362-L367 HydrophobicContact CG1-CB 3.85Å; H363-L367 PolarHBondContact O-N 2.97Å; G365-L367 PolarHBondContact O-N 3.02Å; L367-Q369 PolarHBondContact O-N 3.14Å; L367-W370 PolarHBondContact O-N 2.61Å; L367-I371 HydrophobicContact CD1-CD1 4.1Å; L367-I371 HydrophobicContact CD1-CG1 4.46Å; L367-I371 HydrophobicContact CD2-CD1 4.46Å; L367-I371 HydrophobicContact CG-CD1 3.83Å; L367-I371 WeakPolarHBondContact O-CG1 3.3Å; L367-I371 PolarHBondContact O-N 2.98Å; L367-F386 HydrophobicContact CD1-CE1 4.24Å; L367-F386 HydrophobicContact CD1-CE2 4.39Å; L367-F386 HydrophobicContact CD1-CZ 3.95Å; L367-V508 HydrophobicContact CD2-CB 3.72Å; L367-V508 HydrophobicContact CD2-CG1 3.77Å; L367-V508 HydrophobicContact CD2-CG2 3.91Å; L367-V508 HydrophobicContact CG-CG2 4.49Å |
| 368 | N | 89.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.4 | -15.5 | 176.1 | -77.2 | -31.6 | 0 | 0 | 0 | 113.1 | Q364 G365 C366 K372 I506 | Q364-N368 WeakPolarHBondContact O-CB 3.47Å; Q364-N368 PolarHBondContact O-N 3.41Å; Q364-N368 PolarHBondContact O-ND2 3.41Å; G365-N368 PolarHBondContact O-N 2.98Å; C366-N368 PolarHBondContact O-N 2.83Å; N368-K372 VanDerWaalsContact O-CD 3.23Å; N368-K372 WeakPolarHBondContact O-CD 3.18Å; N368-K372 WeakPolarHBondContact O-CE 3.23Å; N368-K372 WeakPolarHBondContact O-CG 3.5Å; N368-K372 PolarHBondContact O-NZ 3.01Å; N368-I506 PolarHBondContact OD1-O 3.49Å |
| 369 | Q | 89.7 | Confident | 90.3 | Very high | 143 Ų | 143 | 60.6 Ų | 60.6 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -85.5 | -46.7 | 170.3 | -177 | 161 | -32.6 | 0 | 0 | 110.4 | G365 C366 L367 I371 K372 S373 | G365-Q369 PolarHBondContact O-N 3.17Å; C366-Q369 WeakPolarHBondContact O-CB 3.19Å; C366-Q369 PolarHBondContact O-N 3.39Å; L367-Q369 PolarHBondContact O-N 3.14Å; Q369-I371 PolarHBondContact O-N 3.41Å; Q369-K372 WeakPolarHBondContact O-CB 3.45Å; Q369-K372 PolarHBondContact O-N 3.24Å; Q369-S373 PolarHBondContact O-N 3.31Å; Q369-S373 VanDerWaalsContact O-N 3.1Å; Q369-S373 PolarHBondContact O-OG 3.39Å; Q369-S373 VanDerWaalsContact O-OG 3.13Å |
| 370 | W | 91.4 | Very high | 90.6 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51.2 | -54.6 | 175.7 | -175.2 | -98.1 | 0 | 0 | 0 | 112.2 | I338 C366 L367 K372 S373 S374 E380 | I338-W370 HydrophobicContact CD1-CB 4.18Å; C366-W370 PolarHBondContact O-N 3.42Å; L367-W370 PolarHBondContact O-N 2.61Å; W370-K372 PolarHBondContact O-N 2.81Å; W370-S373 WeakPolarHBondContact CA-OG 3.5Å; W370-S373 PolarHBondContact O-N 2.94Å; W370-S373 PolarHBondContact O-OG 3.48Å; W370-S374 PolarHBondContact O-N 3.28Å; W370-S374 PolarHBondContact O-OG 2.84Å; W370-S374 VanDerWaalsContact O-OG 3.05Å; W370-E380 WeakPolarHBondContact CZ2-OE2 3.27Å |
| 371 | I | 90.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.5 | -33.9 | 179 | -69.2 | 166.6 | 0 | 0 | 0 | 112.1 | L367 Q369 D375 F386 M388 V508 | L367-I371 HydrophobicContact CD1-CD1 4.1Å; L367-I371 HydrophobicContact CD1-CG1 4.46Å; L367-I371 HydrophobicContact CD2-CD1 4.46Å; L367-I371 HydrophobicContact CG-CD1 3.83Å; L367-I371 WeakPolarHBondContact O-CG1 3.3Å; L367-I371 PolarHBondContact O-N 2.98Å; Q369-I371 PolarHBondContact O-N 3.41Å; I371-D375 VanDerWaalsContact O-CA 3.3Å; I371-D375 WeakPolarHBondContact O-CA 3.2Å; I371-D375 PolarHBondContact O-N 3.37Å; I371-F386 HydrophobicContact CD1-CD2 3.71Å; I371-F386 HydrophobicContact CD1-CE2 3.94Å; I371-F386 HydrophobicContact CD1-CG 4.43Å; I371-F386 HydrophobicContact CG1-CD2 4.16Å; I371-F386 HydrophobicContact CG1-CE2 4Å; I371-M388 HydrophobicContact CD1-CE 4.07Å; I371-M388 HydrophobicContact CG2-CE 4.13Å; I371-V508 HydrophobicContact CD1-CG2 3.67Å |
| 372 | K | 87.1 | Confident | 90.7 | Very high | 164 Ų | 164 | 65.1 Ų | 65.1 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.4 | -27.4 | 177.3 | -69.7 | 174.5 | -164.1 | 119.7 | 0 | 113.2 | N368 Q369 W370 | N368-K372 VanDerWaalsContact O-CD 3.23Å; N368-K372 WeakPolarHBondContact O-CD 3.18Å; N368-K372 WeakPolarHBondContact O-CE 3.23Å; N368-K372 WeakPolarHBondContact O-CG 3.5Å; N368-K372 PolarHBondContact O-NZ 3.01Å; Q369-K372 WeakPolarHBondContact O-CB 3.45Å; Q369-K372 PolarHBondContact O-N 3.24Å; W370-K372 PolarHBondContact O-N 2.81Å |
| 373 | S | 87.1 | Confident | 90.7 | Very high | 95 Ų | 95 | 71.9 Ų | 71.9 | 66% | 0.664 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -86.7 | -27.7 | 176.3 | 42.4 | 0 | 0 | 0 | 0 | 113.5 | Q369 W370 | Q369-S373 PolarHBondContact O-N 3.31Å; Q369-S373 VanDerWaalsContact O-N 3.1Å; Q369-S373 PolarHBondContact O-OG 3.39Å; Q369-S373 VanDerWaalsContact O-OG 3.13Å; W370-S373 WeakPolarHBondContact CA-OG 3.5Å; W370-S373 PolarHBondContact O-N 2.94Å; W370-S373 PolarHBondContact O-OG 3.48Å |
| 374 | S | 89.5 | Confident | 90.6 | Very high | 45 Ų | 45 | 73.4 Ų | 73.4 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -98.1 | -21.6 | -178.5 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | W370 T376 | W370-S374 PolarHBondContact O-N 3.28Å; W370-S374 PolarHBondContact O-OG 2.84Å; W370-S374 VanDerWaalsContact O-OG 3.05Å; S374-T376 PolarHBondContact O-N 3.23Å; S374-T376 VanDerWaalsContact O-N 3.13Å; S374-T376 PolarHBondContact OG-N 2.85Å; S374-T376 VanDerWaalsContact OG-N 3.15Å; S374-T376 PolarHBondContact OG-OG1 3.36Å |
| 375 | D | 88 | Confident | 90.6 | Very high | 130 Ų | 130 | 76.1 Ų | 76.1 | 70% | 0.695 | 40% | 0.396 | S | S | * | . | trans | 52.8 | 19 | -164.7 | -154.6 | 23.3 | 0 | 0 | 0 | 114 | I371 | I371-D375 VanDerWaalsContact O-CA 3.3Å; I371-D375 WeakPolarHBondContact O-CA 3.2Å; I371-D375 PolarHBondContact O-N 3.37Å | ||
| 376 | T | 89 | Confident | 90.7 | Very high | 55 Ų | 55 | 74.4 Ų | 74.4 | 34% | 0.337 | 37% | 0.374 | S | S | . | . | trans | -84.7 | 139.7 | 179.1 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | S374 | S374-T376 PolarHBondContact O-N 3.23Å; S374-T376 VanDerWaalsContact O-N 3.13Å; S374-T376 PolarHBondContact OG-N 2.85Å; S374-T376 VanDerWaalsContact OG-N 3.15Å; S374-T376 PolarHBondContact OG-OG1 3.36Å | ||
| 377 | R | 89.8 | Confident | 90.5 | Very high | 172 Ų | 172 | 75.9 Ų | 75.9 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | trans | -109.1 | -2.2 | 179.4 | -57.8 | -166.5 | -173.3 | 176.3 | 6.7 | 114.9 | F386 M388 | R377-F386 VanDerWaalsContact C-CD2 3.46Å; R377-F386 WeakPolarHBondContact O-CB 3.48Å; R377-F386 VanDerWaalsContact O-CD2 3.23Å; R377-F386 WeakPolarHBondContact O-CD2 3.49Å; R377-F386 PolarHBondContact O-N 3.09Å; R377-M388 HydrophobicContact CB-CE 3.78Å; R377-M388 HydrophobicContact CG-CE 3.84Å; R377-M388 HydrophobicContact CG-SD 4.41Å | ||
| 378 | C | 91.3 | Very high | 90.2 | Very high | 43 Ų | 43 | 78.4 Ų | 78.4 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -124.6 | 158.9 | 176.1 | 63 | 0 | 0 | 0 | 0 | 111 | F384 D385 F386 | C378-F384 CarbonylContact C-O 3.56Å; C378-F384 VanDerWaalsContact CA-O 3.29Å; C378-F384 WeakPolarHBondContact CA-O 3.49Å; C378-D385 WeakPolarHBondContact CB-OD1 3.45Å; C378-F386 WeakPolarHBondContact O-CE2 3.33Å |
| 379 | C | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | trans | -68.1 | 131.6 | 176 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | R337 C353 L381 K383 F384 F386 | R337-C379 PolarHBondContact NH2-SG 3.4Å; C353-C379 HydrophobicContact CB-CB 3.63Å; C379-L381 PolarHBondContact O-N 2.82Å; C379-K383 WeakPolarHBondContact O-CA 3.3Å; C379-K383 PolarHBondContact O-N 3.32Å; C379-F384 PolarHBondContact N-O 2.89Å; C379-F386 HydrophobicContact CB-CE1 3.86Å; C379-F386 HydrophobicContact CB-CZ 4Å | ||
| 380 | E | 92.9 | Very high | 89.1 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.7 | -178.9 | 67.6 | -134.8 | 129.8 | 0 | 0 | 114.2 | R337 W370 K383 | R337-E380 IonicContact CZ-OE1 3.85Å; R337-E380 IonicContact NH2-OE1 2.76Å; R337-E380 PolarHBondContact NH2-OE1 3.39Å; W370-E380 WeakPolarHBondContact CZ2-OE2 3.27Å; E380-K383 WeakPolarHBondContact O-CE 3.48Å; E380-K383 PolarHBondContact O-NZ 3.43Å |
| 381 | L | 92.6 | Very high | 88.2 | Confident | 95 Ų | 95 | 78.3 Ų | 78.3 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -79.3 | -179.8 | -56.3 | 177.6 | 0 | 0 | 0 | 110.9 | L359 C379 K383 | L359-L381 HydrophobicContact CB-CD1 4.49Å; L359-L381 HydrophobicContact CD1-CD1 4.01Å; C379-L381 PolarHBondContact O-N 2.82Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.29Å |
| 382 | C | 91.9 | Very high | 87.1 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 35% | 0.345 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 2.5 | -174.1 | 64.7 | 0 | 0 | 0 | 0 | 115.6 | C355 F384 | C355-C382 VanDerWaalsContact SG-SG 3.62Å; C382-F384 PolarHBondContact O-N 2.87Å |
| 383 | K | 93.2 | Very high | 86.5 | Confident | 142 Ų | 142 | 74.7 Ų | 74.7 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | trans | 55.9 | 7.4 | 179.9 | -49.7 | -52.4 | -173.9 | -171.5 | 0 | 116.6 | C379 E380 L381 D385 | C379-K383 WeakPolarHBondContact O-CA 3.3Å; C379-K383 PolarHBondContact O-N 3.32Å; E380-K383 WeakPolarHBondContact O-CE 3.48Å; E380-K383 PolarHBondContact O-NZ 3.43Å; L381-K383 VanDerWaalsContact C-N 3.27Å; L381-K383 PolarHBondContact O-N 3.29Å; K383-D385 PolarHBondContact O-N 3.09Å | ||
| 384 | F | 91.7 | Very high | 85.6 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 21% | 0.211 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65 | 130.1 | 175.8 | -178.1 | -99.8 | 0 | 0 | 0 | 111.3 | C353 R354 C378 C379 C382 I387 C511 | C353-F384 HydrophobicContact CB-CB 4.37Å; C353-F384 HydrophobicContact CB-CD1 4.11Å; R354-F384 HydrophobicContact CG-CB 4.41Å; R354-F384 HydrophobicContact CG-CD1 4.48Å; R354-F384 HydrophobicContact CG-CD2 3.96Å; R354-F384 HydrophobicContact CG-CE2 4.39Å; R354-F384 HydrophobicContact CG-CG 4.02Å; C378-F384 CarbonylContact C-O 3.56Å; C378-F384 VanDerWaalsContact CA-O 3.29Å; C378-F384 WeakPolarHBondContact CA-O 3.49Å; C379-F384 PolarHBondContact N-O 2.89Å; C382-F384 PolarHBondContact O-N 2.87Å; F384-I387 HydrophobicContact CE1-CG1 4.43Å; F384-I387 HydrophobicContact CZ-CD1 4.44Å; F384-I387 HydrophobicContact CZ-CG1 4.48Å; F384-C511 HydrophobicContact CE1-CB 3.88Å; F384-C511 WeakPolarHBondContact CE1-SG 3.41Å; F384-C511 HydrophobicContact CZ-CB 4.37Å; F384-C511 WeakPolarHBondContact CZ-SG 3.46Å |
| 385 | D | 90.6 | Very high | 84.2 | Confident | 111 Ų | 111 | 78.1 Ų | 78.1 | 59% | 0.594 | 40% | 0.396 | S | S | * | . | B | Isolated β-bridge | trans | -67.3 | 131.6 | 175.4 | -70.7 | -58.9 | 0 | 0 | 0 | 111.9 | C378 K383 | C378-D385 WeakPolarHBondContact CB-OD1 3.45Å; K383-D385 PolarHBondContact O-N 3.09Å |
| 386 | F | 90.8 | Very high | 83 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 7% | 0.066 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 133.4 | 179.8 | -63.1 | -49.6 | 0 | 0 | 0 | 111.1 | P352 C353 L367 I371 R377 C378 C379 M388 V508 | P352-F386 HydrophobicContact CB-CD1 3.92Å; P352-F386 HydrophobicContact CB-CE1 4.05Å; P352-F386 HydrophobicContact CG-CE1 4.26Å; C353-F386 HydrophobicContact CB-CE1 4.17Å; L367-F386 HydrophobicContact CD1-CE1 4.24Å; L367-F386 HydrophobicContact CD1-CE2 4.39Å; L367-F386 HydrophobicContact CD1-CZ 3.95Å; I371-F386 HydrophobicContact CD1-CD2 3.71Å; I371-F386 HydrophobicContact CD1-CE2 3.94Å; I371-F386 HydrophobicContact CD1-CG 4.43Å; I371-F386 HydrophobicContact CG1-CD2 4.16Å; I371-F386 HydrophobicContact CG1-CE2 4Å; R377-F386 VanDerWaalsContact C-CD2 3.46Å; R377-F386 WeakPolarHBondContact O-CB 3.48Å; R377-F386 VanDerWaalsContact O-CD2 3.23Å; R377-F386 WeakPolarHBondContact O-CD2 3.49Å; R377-F386 PolarHBondContact O-N 3.09Å; C378-F386 WeakPolarHBondContact O-CE2 3.33Å; C379-F386 HydrophobicContact CB-CE1 3.86Å; C379-F386 HydrophobicContact CB-CZ 4Å; F386-M388 HydrophobicContact CB-CE 3.9Å; F386-M388 HydrophobicContact CB-CG 4.24Å; F386-M388 HydrophobicContact CD2-CE 4.03Å; F386-M388 HydrophobicContact CG-CE 4.48Å; F386-M388 PolarHBondContact O-N 3.3Å; F386-V508 HydrophobicContact CB-CG1 3.85Å; F386-V508 HydrophobicContact CB-CG2 4.36Å; F386-V508 HydrophobicContact CD1-CG1 4.39Å; F386-V508 HydrophobicContact CG-CG1 4.34Å |
| 387 | I | 87.9 | Confident | 81.8 | Confident | 61 Ų | 61 | 82 Ų | 82 | 31% | 0.313 | 42% | 0.416 | S | S | . | . | trans | -76.8 | 90.6 | 178 | -59.4 | 179.5 | 0 | 0 | 0 | 109 | F384 V508 Q509 P512 | F384-I387 HydrophobicContact CE1-CG1 4.43Å; F384-I387 HydrophobicContact CZ-CD1 4.44Å; F384-I387 HydrophobicContact CZ-CG1 4.48Å; I387-V508 CarbonylContact O-C 3.6Å; I387-V508 WeakPolarHBondContact O-CA 3.27Å; I387-Q509 HydrophobicContact CB-CB 4.33Å; I387-Q509 HydrophobicContact CG2-CB 4.15Å; I387-Q509 PolarHBondContact O-N 2.77Å; I387-P512 HydrophobicContact CD1-CG 4.33Å | ||
| 388 | M | 86 | Confident | 81 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 108.2 | -174 | -66.8 | -168.6 | -171.8 | 0 | 0 | 112.9 | I371 R377 F386 I506 V508 | I371-M388 HydrophobicContact CD1-CE 4.07Å; I371-M388 HydrophobicContact CG2-CE 4.13Å; R377-M388 HydrophobicContact CB-CE 3.78Å; R377-M388 HydrophobicContact CG-CE 3.84Å; R377-M388 HydrophobicContact CG-SD 4.41Å; F386-M388 HydrophobicContact CB-CE 3.9Å; F386-M388 HydrophobicContact CB-CG 4.24Å; F386-M388 HydrophobicContact CD2-CE 4.03Å; F386-M388 HydrophobicContact CG-CE 4.48Å; F386-M388 PolarHBondContact O-N 3.3Å; M388-I506 HydrophobicContact CB-CG2 3.86Å; M388-I506 HydrophobicContact CG-CG2 3.97Å; M388-I506 HydrophobicContact SD-CG2 3.93Å; M388-V508 HydrophobicContact CG-CG2 4.29Å |
| 389 | E | 79.4 | Confident | 79.9 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 32% | 0.322 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 142.8 | 166.9 | -71.6 | -170.8 | 111.5 | 0 | 0 | 111.9 | K391 I506 T507 Q509 | E389-K391 WeakPolarHBondContact OE2-CE 3.44Å; E389-K391 IonicContact OE2-NZ 2.62Å; E389-K391 PolarHBondContact OE2-NZ 3.43Å; E389-I506 WeakPolarHBondContact O-CA 3.36Å; E389-T507 PolarHBondContact N-O 3Å; E389-T507 PolarHBondContact O-N 2.92Å; E389-T507 PolarHBondContact O-OG1 3.39Å; E389-Q509 HydrophobicContact CG-CG 4.37Å; E389-Q509 PolarHBondContact OE2-NE2 3.25Å |
| 390 | T | 77.5 | Confident | 78.6 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | trans | -102.9 | 78.8 | 176 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | R504 I505 I506 | T390-R504 HydrophobicContact CG2-CG 4.29Å; T390-I505 CarbonylContact C-O 3.6Å; T390-I505 WeakPolarHBondContact CA-O 3.49Å; T390-I506 HydrophobicContact CG2-CG1 4.17Å | ||
| 391 | K | 71.3 | Confident | 77.4 | Confident | 101 Ų | 101 | 85.2 Ų | 85.2 | 44% | 0.439 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 137.1 | 177 | -69.3 | 173.8 | -176.1 | 157.8 | 0 | 111.1 | E389 I505 | E389-K391 WeakPolarHBondContact OE2-CE 3.44Å; E389-K391 IonicContact OE2-NZ 2.62Å; E389-K391 PolarHBondContact OE2-NZ 3.43Å; K391-I505 PolarHBondContact N-O 3.41Å; K391-I505 WeakPolarHBondContact O-CA 3.49Å; K391-I505 PolarHBondContact O-N 2.97Å |
| 392 | L | 69.4 | Low | 76.1 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 146.9 | 167.4 | -58.1 | 179.3 | 0 | 0 | 0 | 108.9 | W398 K500 R504 | L392-W398 HydrophobicContact CD1-CZ2 4.3Å; L392-K500 HydrophobicContact CD1-CD 4.32Å; L392-K500 HydrophobicContact CD1-CG 4.18Å; L392-K500 HydrophobicContact CD2-CG 3.75Å; L392-R504 HydrophobicContact CD2-CB 4.17Å |
| 393 | K | 72.6 | Confident | 75.2 | Confident | 38 Ų | 38 | 88.3 Ų | 88.3 | 17% | 0.165 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 142.5 | 163.7 | -75.7 | 174.8 | 178.1 | 172.2 | 0 | 108.6 | L395 W398 E399 N503 I505 | K393-L395 PolarHBondContact O-N 3.14Å; K393-W398 PolarHBondContact O-NE1 3.24Å; K393-E399 IonicContact NZ-OE1 2.61Å; K393-E399 PolarHBondContact NZ-OE1 3.01Å; K393-E399 IonicContact NZ-OE2 3.93Å; K393-N503 HydrophobicContact CB-CB 4.48Å; K393-N503 HydrophobicContact CD-CB 4.5Å; K393-N503 PolarHBondContact N-O 3.49Å; K393-I505 HydrophobicContact CD-CD1 4.27Å; K393-I505 HydrophobicContact CG-CD1 3.47Å; K393-I505 VanDerWaalsContact CG-CD1 3.47Å; K393-I505 HydrophobicContact CG-CG1 3.86Å |
| 394 | P | 69.8 | Low | 74.7 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 141.5 | 168.2 | 26 | -33.1 | 0 | 0 | 0 | 108.8 | S396 K397 W398 | P394-S396 PolarHBondContact O-N 3.38Å; P394-K397 HydrophobicContact CG-CB 4.15Å; P394-K397 HydrophobicContact CG-CD 4.13Å; P394-K397 HydrophobicContact CG-CG 4.11Å; P394-K397 PolarHBondContact O-N 2.77Å; P394-W398 VanDerWaalsContact O-CD1 3.31Å |
| 395 | L | 60.3 | Low | 74.2 | Confident | 137 Ų | 137 | 91.3 Ų | 91.3 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -55.9 | -27.4 | -168.4 | -61.3 | -178.4 | 0 | 0 | 0 | 113.9 | K393 W398 | K393-L395 PolarHBondContact O-N 3.14Å; L395-W398 HydrophobicContact CD2-CD2 4.06Å; L395-W398 HydrophobicContact CD2-CH2 4.18Å; L395-W398 HydrophobicContact CD2-CZ2 3.63Å; L395-W398 PolarHBondContact O-N 3.2Å |
| 396 | S | 61.7 | Low | 73.9 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 77% | 0.769 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -66.6 | -31 | 174.3 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | P394 | P394-S396 PolarHBondContact O-N 3.38Š|
| 397 | K | 63.5 | Low | 73.5 | Confident | 158 Ų | 158 | 92.7 Ų | 92.7 | 69% | 0.687 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -96.4 | 16.2 | 177.3 | -60.8 | -172.6 | 179.6 | -176 | 0 | 112.5 | P394 E399 | P394-K397 HydrophobicContact CG-CB 4.15Å; P394-K397 HydrophobicContact CG-CD 4.13Å; P394-K397 HydrophobicContact CG-CG 4.11Å; P394-K397 PolarHBondContact O-N 2.77Å; K397-E399 PolarHBondContact O-N 3.03Å |
| 398 | W | 74 | Confident | 73.3 | Confident | 53 Ų | 53 | 94.9 Ų | 94.9 | 20% | 0.201 | 47% | 0.471 | C | S | . | . | trans | -71.9 | 123.5 | 178.3 | -86.1 | 31.7 | 0 | 0 | 0 | 112.1 | L392 K393 P394 L395 L499 N503 | L392-W398 HydrophobicContact CD1-CZ2 4.3Å; K393-W398 PolarHBondContact O-NE1 3.24Å; P394-W398 VanDerWaalsContact O-CD1 3.31Å; L395-W398 HydrophobicContact CD2-CD2 4.06Å; L395-W398 HydrophobicContact CD2-CH2 4.18Å; L395-W398 HydrophobicContact CD2-CZ2 3.63Å; L395-W398 PolarHBondContact O-N 3.2Å; W398-L499 HydrophobicContact CE3-CD1 4.38Å; W398-L499 HydrophobicContact CE3-CD2 3.96Å; W398-L499 HydrophobicContact CE3-CG 3.92Å; W398-L499 HydrophobicContact CZ3-CD2 3.69Å; W398-L499 HydrophobicContact CZ3-CG 3.69Å; W398-N503 WeakPolarHBondContact CA-OD1 3.33Å; W398-N503 HydrophobicContact CD2-CB 3.85Å; W398-N503 HydrophobicContact CE3-CB 4.42Å; W398-N503 HydrophobicContact CG-CB 4.07Å; W398-N503 HydrophobicContact CZ2-CB 4.21Å | ||
| 399 | E | 68 | Low | 73.4 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | trans | -75.5 | 135.3 | 175.8 | -81.9 | 161.1 | -125.7 | 0 | 0 | 110.8 | K393 K397 L401 F502 N503 | K393-E399 IonicContact NZ-OE1 2.61Å; K393-E399 PolarHBondContact NZ-OE1 3.01Å; K393-E399 IonicContact NZ-OE2 3.93Å; K397-E399 PolarHBondContact O-N 3.03Å; E399-L401 VanDerWaalsContact C-N 3.28Å; E399-L401 PolarHBondContact O-N 3.3Å; E399-F502 HydrophobicContact CB-CE1 3.91Å; E399-N503 PolarHBondContact N-OD1 2.88Å | ||
| 400 | K | 66.3 | Low | 73.7 | Confident | 185 Ų | 185 | 105 Ų | 105 | 80% | 0.804 | 51% | 0.507 | S | S | * | . | trans | -74.4 | 79.7 | -178 | -69.4 | 175.4 | -179.1 | 168.2 | 0 | 110.6 | H402 R408 | K400-H402 PolarHBondContact O-N 3.05Å; K400-R408 PolarHBondContact O-NH2 3.38Å | ||
| 401 | L | 66.3 | Low | 74.2 | Confident | 30 Ų | 30 | 103 Ų | 103 | 16% | 0.157 | 49% | 0.492 | C | S | . | . | trans | -23.9 | 120.1 | 173.9 | 178.7 | 70.3 | 0 | 0 | 0 | 112.1 | E399 M403 R408 L499 F502 | E399-L401 VanDerWaalsContact C-N 3.28Å; E399-L401 PolarHBondContact O-N 3.3Å; L401-M403 HydrophobicContact CD1-CE 4.49Å; L401-M403 HydrophobicContact CD2-CE 4Å; L401-M403 HydrophobicContact CD2-CG 4.04Å; L401-M403 HydrophobicContact CD2-SD 4.04Å; L401-M403 HydrophobicContact CG-CE 4Å; L401-M403 HydrophobicContact CG-CG 4.13Å; L401-M403 HydrophobicContact CG-SD 4.47Å; L401-M403 PolarHBondContact O-N 2.84Å; L401-R408 PolarHBondContact O-NH2 3.35Å; L401-L499 HydrophobicContact CB-CD1 3.61Å; L401-L499 HydrophobicContact CD2-CB 4.28Å; L401-L499 HydrophobicContact CD2-CD1 4.28Å; L401-F502 HydrophobicContact CD1-CB 3.99Å; L401-F502 HydrophobicContact CD1-CD1 4.27Å; L401-F502 HydrophobicContact CD1-CD2 3.88Å; L401-F502 HydrophobicContact CD1-CE2 4.46Å; L401-F502 HydrophobicContact CD1-CG 3.77Å | ||
| 402 | H | 65.9 | Low | 74.9 | Confident | 161 Ų | 161 | 104.7 Ų | 104.7 | 75% | 0.745 | 50% | 0.5 | S | S | * | . | trans | -76.2 | 60.4 | -167.6 | -168 | -99 | 0 | 0 | 0 | 113.5 | K400 | K400-H402 PolarHBondContact O-N 3.05Š| ||
| 403 | M | 73.5 | Confident | 75.8 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | trans | -69 | 142.2 | 166.4 | -57.4 | -75.1 | 85.7 | 0 | 0 | 110.2 | L401 R408 | L401-M403 HydrophobicContact CD1-CE 4.49Å; L401-M403 HydrophobicContact CD2-CE 4Å; L401-M403 HydrophobicContact CD2-CG 4.04Å; L401-M403 HydrophobicContact CD2-SD 4.04Å; L401-M403 HydrophobicContact CG-CE 4Å; L401-M403 HydrophobicContact CG-CG 4.13Å; L401-M403 HydrophobicContact CG-SD 4.47Å; L401-M403 PolarHBondContact O-N 2.84Å; M403-R408 HydrophobicContact CB-CG 3.86Å; M403-R408 PolarHBondContact O-NE 2.84Å; M403-R408 VanDerWaalsContact O-NE 3.17Å | ||
| 404 | T | 81.7 | Confident | 76.5 | Confident | 65 Ų | 65 | 104.5 Ų | 104.5 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | trans | -64.9 | 156.9 | -176 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | S406 E407 R408 | T404-S406 PolarHBondContact O-N 3.17Å; T404-S406 VanDerWaalsContact O-N 3.17Å; T404-S406 PolarHBondContact OG1-OG 3.28Å; T404-S406 VanDerWaalsContact OG1-OG 3.09Å; T404-E407 VanDerWaalsContact CB-OE2 3.28Å; T404-E407 WeakPolarHBondContact CB-OE2 3.36Å; T404-E407 WeakPolarHBondContact CG2-OE2 3.33Å; T404-E407 PolarHBondContact N-OE2 2.75Å; T404-E407 PolarHBondContact O-N 3.05Å; T404-E407 VanDerWaalsContact OG1-CG 3.23Å; T404-E407 WeakPolarHBondContact OG1-CG 3.17Å; T404-E407 PolarHBondContact OG1-N 3.35Å; T404-E407 PolarHBondContact OG1-OE2 3.31Å; T404-R408 WeakPolarHBondContact O-CG 3.31Å; T404-R408 PolarHBondContact O-N 3.25Å | ||
| 405 | K | 82.6 | Confident | 77.4 | Confident | 189 Ų | 189 | 103.7 Ų | 103.7 | 82% | 0.822 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -27.2 | 179.8 | -65.3 | 178.5 | -178.4 | 174.6 | 0 | 112.7 | R409 | K405-R409 WeakPolarHBondContact O-CB 3.49Å; K405-R409 PolarHBondContact O-N 2.92Å |
| 406 | S | 83.2 | Confident | 78.8 | Confident | 72 Ų | 72 | 101.1 Ų | 101.1 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -78 | -44.4 | 175.7 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | T404 R409 K410 | T404-S406 PolarHBondContact O-N 3.17Å; T404-S406 VanDerWaalsContact O-N 3.17Å; T404-S406 PolarHBondContact OG1-OG 3.28Å; T404-S406 VanDerWaalsContact OG1-OG 3.09Å; S406-R409 PolarHBondContact O-N 2.98Å; S406-K410 WeakPolarHBondContact O-CG 3.35Å; S406-K410 PolarHBondContact O-N 3Å |
| 407 | E | 83.1 | Confident | 80.1 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 38% | 0.383 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 174.4 | -70 | 162.7 | 134.1 | 0 | 0 | 111.4 | T404 R409 K410 I411 | T404-E407 VanDerWaalsContact CB-OE2 3.28Å; T404-E407 WeakPolarHBondContact CB-OE2 3.36Å; T404-E407 WeakPolarHBondContact CG2-OE2 3.33Å; T404-E407 PolarHBondContact N-OE2 2.75Å; T404-E407 PolarHBondContact O-N 3.05Å; T404-E407 VanDerWaalsContact OG1-CG 3.23Å; T404-E407 WeakPolarHBondContact OG1-CG 3.17Å; T404-E407 PolarHBondContact OG1-N 3.35Å; T404-E407 PolarHBondContact OG1-OE2 3.31Å; E407-R409 PolarHBondContact O-N 3.26Å; E407-K410 PolarHBondContact O-N 2.86Å; E407-I411 HydrophobicContact CB-CD1 4.48Å; E407-I411 WeakPolarHBondContact O-CD1 3.18Å; E407-I411 VanDerWaalsContact O-CG1 3.24Å; E407-I411 WeakPolarHBondContact O-CG1 3.4Å; E407-I411 PolarHBondContact O-N 3.06Å |
| 408 | R | 83.3 | Confident | 81.3 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 41% | 0.408 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -54.1 | -38.6 | 176.7 | -71.2 | -178.1 | 175 | -179.6 | 0.9 | 112 | K400 L401 M403 T404 F412 | K400-R408 PolarHBondContact O-NH2 3.38Å; L401-R408 PolarHBondContact O-NH2 3.35Å; M403-R408 HydrophobicContact CB-CG 3.86Å; M403-R408 PolarHBondContact O-NE 2.84Å; M403-R408 VanDerWaalsContact O-NE 3.17Å; T404-R408 WeakPolarHBondContact O-CG 3.31Å; T404-R408 PolarHBondContact O-N 3.25Å; R408-F412 WeakPolarHBondContact O-CB 3.34Å; R408-F412 PolarHBondContact O-N 3.05Å |
| 409 | R | 88.2 | Confident | 82.1 | Confident | 179 Ų | 179 | 97.4 Ų | 97.4 | 68% | 0.675 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.4 | -46.5 | 175.2 | -171.1 | -178.7 | -62.9 | -177.5 | -1.4 | 112.5 | K405 S406 E407 I411 F412 C413 | K405-R409 WeakPolarHBondContact O-CB 3.49Å; K405-R409 PolarHBondContact O-N 2.92Å; S406-R409 PolarHBondContact O-N 2.98Å; E407-R409 PolarHBondContact O-N 3.26Å; R409-I411 VanDerWaalsContact C-N 3.32Å; R409-I411 PolarHBondContact O-N 3.46Å; R409-F412 PolarHBondContact O-N 3.21Å; R409-C413 WeakPolarHBondContact O-CB 3.22Å; R409-C413 PolarHBondContact O-N 2.91Å; R409-C413 PolarHBondContact O-SG 3.41Å; R409-C413 VanDerWaalsContact O-SG 3.32Å |
| 410 | K | 86.4 | Confident | 83.2 | Confident | 157 Ų | 157 | 97.4 Ų | 97.4 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -56.7 | -46.9 | 176.2 | -71.4 | 173.4 | 179 | -176.5 | 0 | 111.3 | S406 E407 S414 | S406-K410 WeakPolarHBondContact O-CG 3.35Å; S406-K410 PolarHBondContact O-N 3Å; E407-K410 PolarHBondContact O-N 2.86Å; K410-S414 WeakPolarHBondContact O-CB 3.38Å; K410-S414 PolarHBondContact O-N 3.43Å |
| 411 | I | 87.3 | Confident | 84.3 | Confident | 50 Ų | 50 | 90.5 Ų | 90.5 | 26% | 0.256 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.4 | -52.6 | 177.4 | -63.5 | 156.9 | 0 | 0 | 0 | 110 | E407 R409 S414 V415 Y492 L495 | E407-I411 HydrophobicContact CB-CD1 4.48Å; E407-I411 WeakPolarHBondContact O-CD1 3.18Å; E407-I411 VanDerWaalsContact O-CG1 3.24Å; E407-I411 WeakPolarHBondContact O-CG1 3.4Å; E407-I411 PolarHBondContact O-N 3.06Å; R409-I411 VanDerWaalsContact C-N 3.32Å; R409-I411 PolarHBondContact O-N 3.46Å; I411-S414 PolarHBondContact O-N 2.76Å; I411-V415 HydrophobicContact CG2-CG2 4.49Å; I411-V415 WeakPolarHBondContact O-CG2 3.47Å; I411-V415 PolarHBondContact O-N 3.06Å; I411-Y492 HydrophobicContact CG2-CE1 4.18Å; I411-L495 HydrophobicContact CD1-CD2 3.36Å; I411-L495 HydrophobicContact CG1-CD2 3.94Å |
| 412 | F | 85.1 | Confident | 85.3 | Confident | 138 Ų | 138 | 92.4 Ų | 92.4 | 61% | 0.605 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.1 | -47.1 | -178.2 | -177.4 | -94.4 | 0 | 0 | 0 | 112.9 | R408 R409 S414 V415 L416 | R408-F412 WeakPolarHBondContact O-CB 3.34Å; R408-F412 PolarHBondContact O-N 3.05Å; R409-F412 PolarHBondContact O-N 3.21Å; F412-S414 VanDerWaalsContact C-N 3.3Å; F412-S414 PolarHBondContact O-N 3.43Å; F412-V415 PolarHBondContact O-N 3.21Å; F412-L416 HydrophobicContact CE1-CD2 4.24Å; F412-L416 WeakPolarHBondContact O-CB 3.4Å; F412-L416 PolarHBondContact O-N 2.61Å |
| 413 | C | 88.9 | Confident | 86.6 | Confident | 72 Ų | 72 | 89.2 Ų | 89.2 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.8 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | R409 F417 | R409-C413 WeakPolarHBondContact O-CB 3.22Å; R409-C413 PolarHBondContact O-N 2.91Å; R409-C413 PolarHBondContact O-SG 3.41Å; R409-C413 VanDerWaalsContact O-SG 3.32Å; C413-F417 WeakPolarHBondContact O-CB 3.36Å; C413-F417 PolarHBondContact O-N 3.09Å |
| 414 | S | 87.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 90.2 Ų | 90.2 | 21% | 0.21 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 174.9 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | K410 I411 F412 L416 F417 H418 Y492 | K410-S414 WeakPolarHBondContact O-CB 3.38Å; K410-S414 PolarHBondContact O-N 3.43Å; I411-S414 PolarHBondContact O-N 2.76Å; F412-S414 VanDerWaalsContact C-N 3.3Å; F412-S414 PolarHBondContact O-N 3.43Å; S414-L416 VanDerWaalsContact C-N 3.35Å; S414-L416 PolarHBondContact O-N 3Å; S414-F417 PolarHBondContact O-N 3.19Å; S414-H418 PolarHBondContact O-N 3.45Å; S414-H418 PolarHBondContact O-ND1 2.85Å; S414-H418 PolarHBondContact OG-CE1 3.24Å; S414-Y492 WeakPolarHBondContact CB-OH 3.48Å; S414-Y492 PolarHBondContact OG-OH 2.96Å; S414-Y492 VanDerWaalsContact OG-OH 3.05Å |
| 415 | V | 87.6 | Confident | 87.7 | Confident | 57 Ų | 57 | 89.5 Ų | 89.5 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | I411 F412 F417 H418 L419 Y492 | I411-V415 HydrophobicContact CG2-CG2 4.49Å; I411-V415 WeakPolarHBondContact O-CG2 3.47Å; I411-V415 PolarHBondContact O-N 3.06Å; F412-V415 PolarHBondContact O-N 3.21Å; V415-F417 PolarHBondContact O-N 3.3Å; V415-H418 PolarHBondContact O-N 2.86Å; V415-L419 HydrophobicContact CG1-CD1 4.12Å; V415-L419 HydrophobicContact CG1-CG 4.4Å; V415-L419 WeakPolarHBondContact O-CG 3.33Å; V415-L419 PolarHBondContact O-N 3.48Å; V415-Y492 HydrophobicContact CG2-CD1 4.43Å; V415-Y492 HydrophobicContact CG2-CE1 3.56Å; V415-Y492 HydrophobicContact CG2-CE2 4.47Å; V415-Y492 WeakPolarHBondContact CG2-OH 3.49Å; V415-Y492 PolarHBondContact N-OH 2.85Å |
| 416 | L | 90.3 | Very high | 88 | Confident | 83 Ų | 83 | 86 Ų | 86 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.9 | -179.3 | 60.2 | 0 | 0 | 0 | 112 | F412 S414 L419 I420 | F412-L416 HydrophobicContact CE1-CD2 4.24Å; F412-L416 WeakPolarHBondContact O-CB 3.4Å; F412-L416 PolarHBondContact O-N 2.61Å; S414-L416 VanDerWaalsContact C-N 3.35Å; S414-L416 PolarHBondContact O-N 3Å; L416-L419 PolarHBondContact O-N 2.92Å; L416-I420 HydrophobicContact CD1-CD1 4.19Å; L416-I420 HydrophobicContact CD1-CG1 4.49Å; L416-I420 HydrophobicContact CG-CD1 4.07Å; L416-I420 WeakPolarHBondContact O-CG1 3.32Å; L416-I420 PolarHBondContact O-N 3.23Å |
| 417 | F | 90.3 | Very high | 88.4 | Confident | 125 Ų | 125 | 90.3 Ų | 90.3 | 55% | 0.548 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.6 | 175.5 | -98.2 | 0 | 0 | 0 | 112.1 | C413 S414 V415 I420 A421 F484 | C413-F417 WeakPolarHBondContact O-CB 3.36Å; C413-F417 PolarHBondContact O-N 3.09Å; S414-F417 PolarHBondContact O-N 3.19Å; V415-F417 PolarHBondContact O-N 3.3Å; F417-I420 PolarHBondContact O-N 3.42Å; F417-A421 WeakPolarHBondContact O-CB 3.35Å; F417-A421 PolarHBondContact O-N 3.02Å; F417-F484 HydrophobicContact CE1-CE1 4.28Å |
| 418 | H | 88.6 | Confident | 88.6 | Confident | 17 Ų | 17 | 88.6 Ų | 88.6 | 8% | 0.079 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 176.3 | -73.2 | 84.3 | 0 | 0 | 0 | 112.5 | S414 V415 I420 A421 I422 F484 | S414-H418 PolarHBondContact O-N 3.45Å; S414-H418 PolarHBondContact O-ND1 2.85Å; S414-H418 PolarHBondContact OG-CE1 3.24Å; V415-H418 PolarHBondContact O-N 2.86Å; H418-I420 VanDerWaalsContact C-N 3.34Å; H418-I420 PolarHBondContact O-N 2.89Å; H418-A421 PolarHBondContact O-N 3.47Å; H418-I422 WeakPolarHBondContact O-CB 3.32Å; H418-I422 WeakPolarHBondContact O-CD1 3.4Å; H418-I422 WeakPolarHBondContact O-CG1 3.35Å; H418-I422 PolarHBondContact O-N 3.49Å; H418-F484 AromaticContact CE1-CE1 3.66Å; H418-F484 AromaticContact NE2-CD1 3.44Å; H418-F484 WeakPolarHBondContact NE2-CD1 3.41Å; H418-F484 AromaticContact NE2-CE1 3.32Å; H418-F484 VanDerWaalsContact NE2-CE1 3.32Å; H418-F484 WeakPolarHBondContact NE2-CE1 3.44Å |
| 419 | L | 89.2 | Confident | 88.8 | Confident | 102 Ų | 102 | 86.3 Ų | 86.3 | 53% | 0.534 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 175.9 | -71 | 174.5 | 0 | 0 | 0 | 111.7 | V415 L416 I422 V423 | V415-L419 HydrophobicContact CG1-CD1 4.12Å; V415-L419 HydrophobicContact CG1-CG 4.4Å; V415-L419 WeakPolarHBondContact O-CG 3.33Å; V415-L419 PolarHBondContact O-N 3.48Å; L416-L419 PolarHBondContact O-N 2.92Å; L419-I422 PolarHBondContact O-N 3.47Å; L419-V423 WeakPolarHBondContact O-CG2 3.27Å; L419-V423 PolarHBondContact O-N 3.37Å |
| 420 | I | 92.8 | Very high | 88.9 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 48% | 0.482 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 174.9 | -66.7 | 164.6 | 0 | 0 | 0 | 110.3 | L416 F417 H418 I422 V423 C424 | L416-I420 HydrophobicContact CD1-CD1 4.19Å; L416-I420 HydrophobicContact CD1-CG1 4.49Å; L416-I420 HydrophobicContact CG-CD1 4.07Å; L416-I420 WeakPolarHBondContact O-CG1 3.32Å; L416-I420 PolarHBondContact O-N 3.23Å; F417-I420 PolarHBondContact O-N 3.42Å; H418-I420 VanDerWaalsContact C-N 3.34Å; H418-I420 PolarHBondContact O-N 2.89Å; I420-I422 PolarHBondContact O-N 2.87Å; I420-V423 PolarHBondContact O-N 3.02Å; I420-C424 PolarHBondContact O-N 3.48Å; I420-C424 PolarHBondContact O-SG 3.22Å; I420-C424 VanDerWaalsContact O-SG 3.34Å |
| 421 | A | 87.9 | Confident | 89 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 34% | 0.339 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F417 H418 C424 M425 | F417-A421 WeakPolarHBondContact O-CB 3.35Å; F417-A421 PolarHBondContact O-N 3.02Å; H418-A421 PolarHBondContact O-N 3.47Å; A421-C424 PolarHBondContact O-N 3.3Å; A421-M425 WeakPolarHBondContact O-CG 3.24Å; A421-M425 PolarHBondContact O-N 3.35Å |
| 422 | I | 87.9 | Confident | 88.9 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 35% | 0.354 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.5 | -68.3 | 161.1 | 0 | 0 | 0 | 110.7 | H418 L419 I420 C424 M425 L426 M485 | H418-I422 WeakPolarHBondContact O-CB 3.32Å; H418-I422 WeakPolarHBondContact O-CD1 3.4Å; H418-I422 WeakPolarHBondContact O-CG1 3.35Å; H418-I422 PolarHBondContact O-N 3.49Å; L419-I422 PolarHBondContact O-N 3.47Å; I420-I422 PolarHBondContact O-N 2.87Å; I422-C424 PolarHBondContact O-N 3.42Å; I422-M425 PolarHBondContact O-N 3.47Å; I422-L426 HydrophobicContact CG2-CD1 3.84Å; I422-L426 HydrophobicContact CG2-CG 4.34Å; I422-L426 WeakPolarHBondContact O-CB 3.23Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.34Å; I422-L426 PolarHBondContact O-N 3.46Å; I422-M485 HydrophobicContact CD1-SD 3.85Å; I422-M485 HydrophobicContact CG1-SD 4.36Å |
| 423 | V | 93.1 | Very high | 89 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 58% | 0.576 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 177 | 170 | 0 | 0 | 0 | 0 | 111.4 | L419 I420 L426 W427 | L419-V423 WeakPolarHBondContact O-CG2 3.27Å; L419-V423 PolarHBondContact O-N 3.37Å; I420-V423 PolarHBondContact O-N 3.02Å; V423-L426 PolarHBondContact O-N 3.26Å; V423-W427 VanDerWaalsContact O-CB 3.28Å; V423-W427 WeakPolarHBondContact O-CB 3.33Å; V423-W427 PolarHBondContact O-N 3.42Å |
| 424 | C | 90.4 | Very high | 88.9 | Confident | 69 Ų | 69 | 79.4 Ų | 79.4 | 47% | 0.466 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64 | -40 | 175.6 | -70 | 0 | 0 | 0 | 0 | 112.6 | I420 A421 I422 S428 | I420-C424 PolarHBondContact O-N 3.48Å; I420-C424 PolarHBondContact O-SG 3.22Å; I420-C424 VanDerWaalsContact O-SG 3.34Å; A421-C424 PolarHBondContact O-N 3.3Å; I422-C424 PolarHBondContact O-N 3.42Å; C424-S428 WeakPolarHBondContact O-CB 3.28Å; C424-S428 PolarHBondContact O-N 3.28Å; C424-S428 PolarHBondContact O-OG 2.88Å |
| 425 | M | 87 | Confident | 88.7 | Confident | 50 Ų | 50 | 85.4 Ų | 85.4 | 25% | 0.246 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 175.3 | -73.9 | -55.4 | -52.6 | 0 | 0 | 111.8 | A421 I422 W427 S428 V429 F478 | A421-M425 WeakPolarHBondContact O-CG 3.24Å; A421-M425 PolarHBondContact O-N 3.35Å; I422-M425 PolarHBondContact O-N 3.47Å; M425-W427 VanDerWaalsContact C-N 3.31Å; M425-W427 PolarHBondContact O-N 2.94Å; M425-S428 PolarHBondContact O-N 3.24Å; M425-V429 WeakPolarHBondContact O-CG2 3.22Å; M425-V429 PolarHBondContact O-N 3Å; M425-F478 HydrophobicContact CE-CB 3.75Å; M425-F478 HydrophobicContact CE-CD2 4.2Å; M425-F478 HydrophobicContact CE-CG 4.49Å |
| 426 | L | 89.1 | Confident | 88.4 | Confident | 115 Ų | 115 | 84.7 Ų | 84.7 | 60% | 0.602 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.1 | -39.5 | 176.6 | -70.8 | 172.7 | 0 | 0 | 0 | 112 | I422 V423 Y430 | I422-L426 HydrophobicContact CG2-CD1 3.84Å; I422-L426 HydrophobicContact CG2-CG 4.34Å; I422-L426 WeakPolarHBondContact O-CB 3.23Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.34Å; I422-L426 PolarHBondContact O-N 3.46Å; V423-L426 PolarHBondContact O-N 3.26Å; L426-Y430 VanDerWaalsContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CB 3.38Å; L426-Y430 PolarHBondContact O-N 3.28Å |
| 427 | W | 92.8 | Very high | 88.1 | Confident | 163 Ų | 163 | 83.6 Ų | 83.6 | 62% | 0.617 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 175.7 | -172.5 | 83.3 | 0 | 0 | 0 | 112 | V423 M425 Y430 I431 | V423-W427 VanDerWaalsContact O-CB 3.28Å; V423-W427 WeakPolarHBondContact O-CB 3.33Å; V423-W427 PolarHBondContact O-N 3.42Å; M425-W427 VanDerWaalsContact C-N 3.31Å; M425-W427 PolarHBondContact O-N 2.94Å; W427-Y430 PolarHBondContact O-N 3.31Å; W427-I431 HydrophobicContact CD2-CG1 4.03Å; W427-I431 HydrophobicContact CE3-CG1 4.16Å; W427-I431 HydrophobicContact CH2-CD1 4.46Å; W427-I431 HydrophobicContact CH2-CG1 4.1Å; W427-I431 HydrophobicContact CZ2-CD1 4.01Å; W427-I431 HydrophobicContact CZ2-CG1 3.95Å; W427-I431 HydrophobicContact CZ3-CG1 4.2Å; W427-I431 WeakPolarHBondContact O-CG1 3.49Å; W427-I431 PolarHBondContact O-N 2.99Å |
| 428 | S | 87.6 | Confident | 87.7 | Confident | 46 Ų | 46 | 80.5 Ų | 80.5 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 176 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | C424 M425 I431 L432 | C424-S428 WeakPolarHBondContact O-CB 3.28Å; C424-S428 PolarHBondContact O-N 3.28Å; C424-S428 PolarHBondContact O-OG 2.88Å; M425-S428 PolarHBondContact O-N 3.24Å; S428-I431 PolarHBondContact O-N 2.9Å; S428-L432 VanDerWaalsContact O-CD1 3.3Å; S428-L432 WeakPolarHBondContact O-CD1 3.39Å; S428-L432 VanDerWaalsContact O-CG 3.28Å; S428-L432 WeakPolarHBondContact O-CG 3.35Å; S428-L432 PolarHBondContact O-N 3.3Å |
| 429 | V | 86.4 | Confident | 87.1 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 174.1 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | M425 I431 L432 V433 V474 | M425-V429 WeakPolarHBondContact O-CG2 3.22Å; M425-V429 PolarHBondContact O-N 3Å; V429-I431 PolarHBondContact O-N 2.89Å; V429-L432 PolarHBondContact O-N 3.41Å; V429-V433 HydrophobicContact CG1-CG2 4.21Å; V429-V433 WeakPolarHBondContact O-CB 3.31Å; V429-V433 WeakPolarHBondContact O-CG2 3.44Å; V429-V433 PolarHBondContact O-N 2.95Å; V429-V474 HydrophobicContact CG2-CG1 4.29Å |
| 430 | Y | 91.4 | Very high | 86.4 | Confident | 142 Ų | 142 | 84 Ų | 84 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 175.5 | 168.7 | -102.9 | 0 | 0 | 0 | 112.7 | L426 W427 L432 V433 K434 | L426-Y430 VanDerWaalsContact O-CB 3.31Å; L426-Y430 WeakPolarHBondContact O-CB 3.38Å; L426-Y430 PolarHBondContact O-N 3.28Å; W427-Y430 PolarHBondContact O-N 3.31Å; Y430-L432 VanDerWaalsContact C-N 3.31Å; Y430-L432 PolarHBondContact O-N 3Å; Y430-V433 PolarHBondContact O-N 3.17Å; Y430-K434 VanDerWaalsContact O-CB 3.26Å; Y430-K434 WeakPolarHBondContact O-CB 3.42Å; Y430-K434 PolarHBondContact O-N 3.09Å |
| 431 | I | 88.6 | Confident | 85.6 | Confident | 70 Ų | 70 | 87.2 Ų | 87.2 | 36% | 0.359 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 176.6 | -69.2 | -65.5 | 0 | 0 | 0 | 111.2 | W427 S428 V429 R435 | W427-I431 HydrophobicContact CD2-CG1 4.03Å; W427-I431 HydrophobicContact CE3-CG1 4.16Å; W427-I431 HydrophobicContact CH2-CD1 4.46Å; W427-I431 HydrophobicContact CH2-CG1 4.1Å; W427-I431 HydrophobicContact CZ2-CD1 4.01Å; W427-I431 HydrophobicContact CZ2-CG1 3.95Å; W427-I431 HydrophobicContact CZ3-CG1 4.2Å; W427-I431 WeakPolarHBondContact O-CG1 3.49Å; W427-I431 PolarHBondContact O-N 2.99Å; S428-I431 PolarHBondContact O-N 2.9Å; V429-I431 PolarHBondContact O-N 2.89Å; I431-R435 WeakPolarHBondContact O-CB 3.47Å; I431-R435 PolarHBondContact O-N 3.21Å |
| 432 | L | 84.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 90.6 Ų | 90.6 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.5 | -47.1 | 177 | -67.7 | 156.8 | 0 | 0 | 0 | 112.3 | S428 V429 Y430 K434 R435 T436 V474 | S428-L432 VanDerWaalsContact O-CD1 3.3Å; S428-L432 WeakPolarHBondContact O-CD1 3.39Å; S428-L432 VanDerWaalsContact O-CG 3.28Å; S428-L432 WeakPolarHBondContact O-CG 3.35Å; S428-L432 PolarHBondContact O-N 3.3Å; V429-L432 PolarHBondContact O-N 3.41Å; Y430-L432 VanDerWaalsContact C-N 3.31Å; Y430-L432 PolarHBondContact O-N 3Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 3.32Å; L432-R435 PolarHBondContact O-N 3.37Å; L432-T436 WeakPolarHBondContact O-CB 3.33Å; L432-T436 PolarHBondContact O-N 3.33Å; L432-T436 PolarHBondContact O-OG1 3.34Å; L432-V474 HydrophobicContact CD1-CB 4Å; L432-V474 HydrophobicContact CD1-CG1 3.7Å; L432-V474 HydrophobicContact CD1-CG2 3.42Å; L432-V474 VanDerWaalsContact CD1-CG2 3.42Å |
| 433 | V | 86.9 | Confident | 83.4 | Confident | 85 Ų | 85 | 87.8 Ų | 87.8 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V429 Y430 T437 | V429-V433 HydrophobicContact CG1-CG2 4.21Å; V429-V433 WeakPolarHBondContact O-CB 3.31Å; V429-V433 WeakPolarHBondContact O-CG2 3.44Å; V429-V433 PolarHBondContact O-N 2.95Å; Y430-V433 PolarHBondContact O-N 3.17Å; V433-T437 VanDerWaalsContact O-CB 3.32Å; V433-T437 WeakPolarHBondContact O-CB 3.32Å; V433-T437 PolarHBondContact O-N 2.91Å; V433-T437 PolarHBondContact O-OG1 2.83Å |
| 434 | K | 86.6 | Confident | 82 | Confident | 105 Ų | 105 | 91 Ų | 91 | 46% | 0.457 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.4 | -52.5 | 173.5 | -178.8 | 179.4 | 175.7 | -173.1 | 0 | 110.7 | Y430 L432 T436 T437 D438 | Y430-K434 VanDerWaalsContact O-CB 3.26Å; Y430-K434 WeakPolarHBondContact O-CB 3.42Å; Y430-K434 PolarHBondContact O-N 3.09Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 3.32Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.11Å; K434-T437 CarbonylContact O-C 3.43Å; K434-T437 WeakPolarHBondContact O-CB 3.36Å; K434-T437 PolarHBondContact O-N 3.39Å; K434-T437 VanDerWaalsContact O-N 3.09Å; K434-D438 VanDerWaalsContact CE-OD2 3.22Å; K434-D438 WeakPolarHBondContact CE-OD2 3.29Å; K434-D438 WeakPolarHBondContact CG-OD2 3.21Å; K434-D438 PolarHBondContact O-N 3.45Å |
| 435 | R | 83.7 | Confident | 80.5 | Confident | 155 Ų | 155 | 93.8 Ų | 93.8 | 59% | 0.585 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | -178.2 | -158.4 | -167 | -172.2 | 103.5 | 6.7 | 112.1 | I431 L432 T437 D438 E439 | I431-R435 WeakPolarHBondContact O-CB 3.47Å; I431-R435 PolarHBondContact O-N 3.21Å; L432-R435 PolarHBondContact O-N 3.37Å; R435-T437 VanDerWaalsContact C-N 3.32Å; R435-T437 PolarHBondContact O-N 3.24Å; R435-D438 PolarHBondContact O-N 3.09Å; R435-E439 VanDerWaalsContact CD-OE1 3.25Å; R435-E439 WeakPolarHBondContact CD-OE1 3.26Å; R435-E439 VanDerWaalsContact CG-OE1 3.31Å; R435-E439 WeakPolarHBondContact CG-OE1 3.32Å; R435-E439 IonicContact NE-OE1 3.64Å; R435-E439 PolarHBondContact NE-OE1 2.7Å; R435-E439 VanDerWaalsContact O-CB 3.31Å; R435-E439 WeakPolarHBondContact O-CB 3.33Å; R435-E439 VanDerWaalsContact O-CG 3.29Å; R435-E439 WeakPolarHBondContact O-CG 3.42Å; R435-E439 PolarHBondContact O-N 2.89Å |
| 436 | T | 80.8 | Confident | 79.2 | Confident | 43 Ų | 43 | 93.9 Ų | 93.9 | 26% | 0.264 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 111.2 | L432 K434 E439 I440 F467 | L432-T436 WeakPolarHBondContact O-CB 3.33Å; L432-T436 PolarHBondContact O-N 3.33Å; L432-T436 PolarHBondContact O-OG1 3.34Å; K434-T436 VanDerWaalsContact C-N 3.34Å; K434-T436 PolarHBondContact O-N 3.11Å; T436-E439 PolarHBondContact O-N 3.2Å; T436-I440 HydrophobicContact CG2-CD1 3.95Å; T436-I440 WeakPolarHBondContact O-CB 3.31Å; T436-I440 WeakPolarHBondContact O-CG1 3.28Å; T436-I440 PolarHBondContact O-N 2.93Å; T436-F467 HydrophobicContact CG2-CE2 4.14Å; T436-F467 HydrophobicContact CG2-CZ 4.15Å |
| 437 | T | 83.9 | Confident | 77.6 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 36% | 0.362 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 176 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | V433 K434 R435 R441 | V433-T437 VanDerWaalsContact O-CB 3.32Å; V433-T437 WeakPolarHBondContact O-CB 3.32Å; V433-T437 PolarHBondContact O-N 2.91Å; V433-T437 PolarHBondContact O-OG1 2.83Å; K434-T437 CarbonylContact O-C 3.43Å; K434-T437 WeakPolarHBondContact O-CB 3.36Å; K434-T437 PolarHBondContact O-N 3.39Å; K434-T437 VanDerWaalsContact O-N 3.09Å; R435-T437 VanDerWaalsContact C-N 3.32Å; R435-T437 PolarHBondContact O-N 3.24Å; T437-R441 WeakPolarHBondContact O-CB 3.32Å; T437-R441 VanDerWaalsContact O-CG 3.29Å; T437-R441 WeakPolarHBondContact O-CG 3.41Å; T437-R441 PolarHBondContact O-N 3.45Å |
| 438 | D | 81.7 | Confident | 76 | Confident | 60 Ų | 60 | 92.7 Ų | 92.7 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 176.8 | -67.4 | -24 | 0 | 0 | 0 | 110.8 | K434 R435 R441 L442 | K434-D438 VanDerWaalsContact CE-OD2 3.22Å; K434-D438 WeakPolarHBondContact CE-OD2 3.29Å; K434-D438 WeakPolarHBondContact CG-OD2 3.21Å; K434-D438 PolarHBondContact O-N 3.45Å; R435-D438 PolarHBondContact O-N 3.09Å; D438-R441 PolarHBondContact O-N 3.28Å; D438-L442 VanDerWaalsContact O-CB 3.32Å; D438-L442 WeakPolarHBondContact O-CB 3.44Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 2.88Å |
| 439 | E | 76.3 | Confident | 74.5 | Confident | 86 Ų | 86 | 99 Ų | 99 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.4 | -35.8 | 174.5 | -74.7 | 165.5 | -173.9 | 0 | 0 | 112.3 | R435 T436 G443 | R435-E439 VanDerWaalsContact CD-OE1 3.25Å; R435-E439 WeakPolarHBondContact CD-OE1 3.26Å; R435-E439 VanDerWaalsContact CG-OE1 3.31Å; R435-E439 WeakPolarHBondContact CG-OE1 3.32Å; R435-E439 IonicContact NE-OE1 3.64Å; R435-E439 PolarHBondContact NE-OE1 2.7Å; R435-E439 VanDerWaalsContact O-CB 3.31Å; R435-E439 WeakPolarHBondContact O-CB 3.33Å; R435-E439 VanDerWaalsContact O-CG 3.29Å; R435-E439 WeakPolarHBondContact O-CG 3.42Å; R435-E439 PolarHBondContact O-N 2.89Å; T436-E439 PolarHBondContact O-N 3.2Å; E439-G443 WeakPolarHBondContact O-CA 3.42Å; E439-G443 PolarHBondContact O-N 2.89Å |
| 440 | I | 75.9 | Confident | 73.1 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 55% | 0.554 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.7 | -36.9 | 170.9 | -71.2 | 166.2 | 0 | 0 | 0 | 111.5 | T436 G443 K444 | T436-I440 HydrophobicContact CG2-CD1 3.95Å; T436-I440 WeakPolarHBondContact O-CB 3.31Å; T436-I440 WeakPolarHBondContact O-CG1 3.28Å; T436-I440 PolarHBondContact O-N 2.93Å; I440-G443 CarbonylContact O-C 2.92Å; I440-G443 PolarHBondContact O-N 2.85Å; I440-K444 PolarHBondContact O-N 3.37Å |
| 441 | R | 76.2 | Confident | 71.6 | Confident | 161 Ų | 161 | 99.1 Ų | 99.1 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69 | -47.8 | 176.6 | -83.9 | 175.4 | 154.6 | 159.3 | -4.7 | 112.2 | T437 D438 G443 K444 N445 | T437-R441 WeakPolarHBondContact O-CB 3.32Å; T437-R441 VanDerWaalsContact O-CG 3.29Å; T437-R441 WeakPolarHBondContact O-CG 3.41Å; T437-R441 PolarHBondContact O-N 3.45Å; D438-R441 PolarHBondContact O-N 3.28Å; R441-G443 VanDerWaalsContact C-N 3.29Å; R441-K444 PolarHBondContact O-N 2.93Å; R441-N445 PolarHBondContact O-N 2.98Å |
| 442 | L | 66.2 | Low | 70.2 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56 | -49.3 | 168.3 | -79.4 | 160.7 | 0 | 0 | 0 | 109.1 | D438 K444 N445 D446 | D438-L442 VanDerWaalsContact O-CB 3.32Å; D438-L442 WeakPolarHBondContact O-CB 3.44Å; D438-L442 WeakPolarHBondContact O-CG 3.47Å; D438-L442 PolarHBondContact O-N 2.88Å; L442-K444 PolarHBondContact O-N 2.71Å; L442-K444 VanDerWaalsContact O-N 3.11Å; L442-N445 PolarHBondContact O-N 3.37Å; L442-N445 VanDerWaalsContact O-N 3.09Å; L442-D446 WeakPolarHBondContact O-CA 3.31Å; L442-D446 WeakPolarHBondContact O-CB 3.46Å; L442-D446 PolarHBondContact O-N 2.91Å |
| 443 | G | 62.7 | Low | 69 | Low | 11 Ų | 11 | 103 Ų | 103 | 11% | 0.113 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -56.2 | -25.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E439 I440 R441 E447 | E439-G443 WeakPolarHBondContact O-CA 3.42Å; E439-G443 PolarHBondContact O-N 2.89Å; I440-G443 CarbonylContact O-C 2.92Å; I440-G443 PolarHBondContact O-N 2.85Å; R441-G443 VanDerWaalsContact C-N 3.29Å; G443-E447 WeakPolarHBondContact O-CA 3.37Å; G443-E447 WeakPolarHBondContact O-CB 3.41Å; G443-E447 WeakPolarHBondContact O-CG 3.38Å; G443-E447 PolarHBondContact O-N 2.92Å |
| 444 | K | 62.8 | Low | 67.4 | Low | 163 Ų | 163 | 104.2 Ų | 104.2 | 71% | 0.709 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -81.4 | -39.2 | 173.2 | -106.9 | 179.7 | 175.9 | 177 | 0 | 113.8 | I440 R441 L442 D446 | I440-K444 PolarHBondContact O-N 3.37Å; R441-K444 PolarHBondContact O-N 2.93Å; L442-K444 PolarHBondContact O-N 2.71Å; L442-K444 VanDerWaalsContact O-N 3.11Å; K444-D446 VanDerWaalsContact C-N 3.31Å |
| 445 | N | 60.1 | Low | 65.9 | Low | 126 Ų | 126 | 108.9 Ų | 108.9 | 67% | 0.674 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.7 | -32.3 | 174.1 | -62 | -22.9 | 0 | 0 | 0 | 111.3 | R441 L442 | R441-N445 PolarHBondContact O-N 2.98Å; L442-N445 PolarHBondContact O-N 3.37Å; L442-N445 VanDerWaalsContact O-N 3.09Å |
| 446 | D | 58.4 | Low | 64.2 | Low | 52 Ų | 52 | 111.6 Ų | 111.6 | 28% | 0.278 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -89.2 | -15.5 | -179.6 | -158.1 | 51.8 | 0 | 0 | 0 | 111.4 | L442 K444 R449 R450 | L442-D446 WeakPolarHBondContact O-CA 3.31Å; L442-D446 WeakPolarHBondContact O-CB 3.46Å; L442-D446 PolarHBondContact O-N 2.91Å; K444-D446 VanDerWaalsContact C-N 3.31Å; D446-R449 CarbonylContact O-C 3.54Å; D446-R449 WeakPolarHBondContact O-CA 3.38Å; D446-R449 WeakPolarHBondContact O-CB 3.44Å; D446-R449 PolarHBondContact O-N 3.46Å; D446-R449 VanDerWaalsContact O-N 3.08Å; D446-R449 WeakPolarHBondContact OD1-CD 3.16Å; D446-R450 VanDerWaalsContact O-CB 3.23Å; D446-R450 WeakPolarHBondContact O-CB 3.3Å; D446-R450 WeakPolarHBondContact O-CD 3.39Å; D446-R450 WeakPolarHBondContact O-CG 3.28Å; D446-R450 PolarHBondContact O-N 3.5Å; D446-R450 IonicContact OD2-CZ 3.17Å; D446-R450 IonicContact OD2-NE 2.75Å; D446-R450 PolarHBondContact OD2-NE 3.43Å; D446-R450 IonicContact OD2-NH2 2.76Å; D446-R450 PolarHBondContact OD2-NH2 2.87Å |
| 447 | E | 56.7 | Low | 63 | Low | 106 Ų | 106 | 118 Ų | 118 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.2 | -51.7 | 165 | -115.4 | -68.1 | 124.9 | 0 | 0 | 110.5 | G443 R449 R450 V451 | G443-E447 WeakPolarHBondContact O-CA 3.37Å; G443-E447 WeakPolarHBondContact O-CB 3.41Å; G443-E447 WeakPolarHBondContact O-CG 3.38Å; G443-E447 PolarHBondContact O-N 2.92Å; E447-R449 PolarHBondContact O-N 2.98Å; E447-R450 PolarHBondContact O-N 3.19Å; E447-V451 PolarHBondContact O-N 2.9Å |
| 448 | L | 58.8 | Low | 61.4 | Low | 148 Ų | 148 | 120.2 Ų | 120.2 | 78% | 0.775 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.9 | -25.7 | 174.2 | -172.1 | 67.4 | 0 | 0 | 0 | 112.7 | ||
| 449 | R | 55.5 | Low | 59.9 | Low | 177 Ų | 177 | 121.3 Ų | 121.3 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -90 | -30.9 | 176.5 | -153.3 | 178.6 | -163.7 | 170.1 | 4.3 | 112.6 | D446 E447 S452 L453 | D446-R449 CarbonylContact O-C 3.54Å; D446-R449 WeakPolarHBondContact O-CA 3.38Å; D446-R449 WeakPolarHBondContact O-CB 3.44Å; D446-R449 PolarHBondContact O-N 3.46Å; D446-R449 VanDerWaalsContact O-N 3.08Å; D446-R449 WeakPolarHBondContact OD1-CD 3.16Å; E447-R449 PolarHBondContact O-N 2.98Å; R449-S452 PolarHBondContact O-N 2.74Å; R449-L453 WeakPolarHBondContact O-CB 3.43Å; R449-L453 PolarHBondContact O-N 2.83Å |
| 450 | R | 56.6 | Low | 58.9 | Low | 99 Ų | 99 | 123.9 Ų | 123.9 | 37% | 0.374 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -77.3 | -34.7 | 179.8 | -76.4 | 162.8 | -159.7 | -179.3 | 4.2 | 111.8 | D446 E447 S452 L453 L454 | D446-R450 VanDerWaalsContact O-CB 3.23Å; D446-R450 WeakPolarHBondContact O-CB 3.3Å; D446-R450 WeakPolarHBondContact O-CD 3.39Å; D446-R450 WeakPolarHBondContact O-CG 3.28Å; D446-R450 PolarHBondContact O-N 3.5Å; D446-R450 IonicContact OD2-CZ 3.17Å; D446-R450 IonicContact OD2-NE 2.75Å; D446-R450 PolarHBondContact OD2-NE 3.43Å; D446-R450 IonicContact OD2-NH2 2.76Å; D446-R450 PolarHBondContact OD2-NH2 2.87Å; E447-R450 PolarHBondContact O-N 3.19Å; R450-S452 PolarHBondContact O-N 2.91Å; R450-L453 PolarHBondContact O-N 3.27Å; R450-L454 WeakPolarHBondContact O-CB 3.36Å; R450-L454 PolarHBondContact O-N 3.23Å |
| 451 | V | 60.7 | Low | 57.8 | Low | 108 Ų | 108 | 121.7 Ų | 121.7 | 66% | 0.655 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -31.6 | 170.8 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | E447 | E447-V451 PolarHBondContact O-N 2.9Š|
| 452 | S | 59.6 | Low | 56.9 | Low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -11.2 | 174 | -55.9 | 0 | 0 | 0 | 0 | 115.9 | R449 R450 | R449-S452 PolarHBondContact O-N 2.74Å; R450-S452 PolarHBondContact O-N 2.91Å |
| 453 | L | 58.6 | Low | 56.2 | Low | 96 Ų | 96 | 120.1 Ų | 120.1 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.7 | -25.4 | -169.9 | -161.4 | 149.9 | 0 | 0 | 0 | 113.8 | R449 R450 K455 Y456 | R449-L453 WeakPolarHBondContact O-CB 3.43Å; R449-L453 PolarHBondContact O-N 2.83Å; R450-L453 PolarHBondContact O-N 3.27Å; L453-K455 PolarHBondContact O-N 3.32Å; L453-Y456 WeakPolarHBondContact O-CB 3.44Å; L453-Y456 PolarHBondContact O-N 2.74Å |
| 454 | L | 53.7 | Low | 56 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 59% | 0.586 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -57.9 | -28.6 | 174.8 | -170.8 | 73.9 | 0 | 0 | 0 | 111.8 | R450 Y456 Y457 | R450-L454 WeakPolarHBondContact O-CB 3.36Å; R450-L454 PolarHBondContact O-N 3.23Å; L454-Y456 PolarHBondContact O-N 3.45Å; L454-Y457 PolarHBondContact O-N 3.05Å |
| 455 | K | 54.2 | Low | 55.6 | Low | 202 Ų | 202 | 127.7 Ų | 127.7 | 88% | 0.878 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -58.8 | -11.5 | 170.8 | -161.7 | 176.6 | 178.2 | -179.3 | 0 | 113.7 | L453 | L453-K455 PolarHBondContact O-N 3.32Š|
| 456 | Y | 50 | Low | 56.2 | Low | 212 Ų | 212 | 124.4 Ų | 124.4 | 83% | 0.831 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -124.9 | -5.9 | -173.9 | -149.5 | -93.8 | 0 | 0 | 0 | 115.1 | L453 L454 | L453-Y456 WeakPolarHBondContact O-CB 3.44Å; L453-Y456 PolarHBondContact O-N 2.74Å; L454-Y456 PolarHBondContact O-N 3.45Å |
| 457 | Y | 53.8 | Low | 56.9 | Low | 177 Ų | 177 | 125 Ų | 125 | 69% | 0.694 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.7 | 16.7 | -167.4 | -145.9 | -101.8 | 0 | 0 | 0 | 116.3 | L454 A459 | L454-Y457 PolarHBondContact O-N 3.05Å; Y457-A459 PolarHBondContact O-N 2.9Å |
| 458 | S | 51 | Low | 57.7 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 23 | -172.3 | -166.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 459 | A | 50.4 | Low | 58.8 | Low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -26.8 | -166 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y457 | Y457-A459 PolarHBondContact O-N 2.9Š|
| 460 | Q | 54.4 | Low | 59.9 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | trans | -126.3 | 99.7 | -172.8 | -116.9 | 77.5 | 20.4 | 0 | 0 | 112.9 | V462 | Q460-V462 HydrophobicContact CB-CG2 3.99Å; Q460-V462 HydrophobicContact CG-CG2 3.72Å; Q460-V462 PolarHBondContact O-N 2.95Å | ||
| 461 | G | 53.8 | Low | 61.1 | Low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | trans | -72.2 | 40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 462 | V | 56.5 | Low | 62.3 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 56% | 0.558 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -19.3 | -168.1 | 179.1 | 0 | 0 | 0 | 0 | 113.2 | Q460 P466 | Q460-V462 HydrophobicContact CB-CG2 3.99Å; Q460-V462 HydrophobicContact CG-CG2 3.72Å; Q460-V462 PolarHBondContact O-N 2.95Å; V462-P466 WeakPolarHBondContact O-CD 3.05Å |
| 463 | L | 52.2 | Low | 63.5 | Low | 148 Ų | 148 | 118 Ų | 118 | 78% | 0.775 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -19.1 | -174.7 | -86.5 | 76.4 | 0 | 0 | 0 | 115.1 | P466 | L463-P466 WeakPolarHBondContact O-CD 3.45Å; L463-P466 WeakPolarHBondContact O-CG 3.19Å |
| 464 | E | 57.6 | Low | 64.8 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -41 | -178.2 | -62 | -167.4 | 113.7 | 0 | 0 | 112.6 | F467 W468 | E464-F467 WeakPolarHBondContact O-CA 3.4Å; E464-F467 WeakPolarHBondContact O-CB 3.48Å; E464-F467 PolarHBondContact O-N 3.34Å; E464-W468 VanDerWaalsContact O-CD1 3.29Å; E464-W468 PolarHBondContact O-N 3.34Å |
| 465 | W | 55.9 | Low | 66.3 | Low | 200 Ų | 200 | 112 Ų | 112 | 76% | 0.758 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -49.9 | -50.3 | 175.2 | -93.1 | 87.7 | 0 | 0 | 0 | 114.3 | F467 T469 | W465-F467 PolarHBondContact O-N 2.88Å; W465-T469 HydrophobicContact CE3-CG2 4.14Å; W465-T469 WeakPolarHBondContact O-CB 3.41Å; W465-T469 WeakPolarHBondContact O-CG2 3.32Å; W465-T469 PolarHBondContact O-N 2.67Å; W465-T469 VanDerWaalsContact O-N 3.09Å; W465-T469 PolarHBondContact O-OG1 2.74Å |
| 466 | P | 72.3 | Confident | 68.1 | Low | 57 Ų | 57 | 107.8 Ų | 107.8 | 37% | 0.37 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.8 | -5.4 | 176.8 | 28.4 | -35.3 | 0 | 0 | 0 | 114.3 | V462 L463 T469 K470 | V462-P466 WeakPolarHBondContact O-CD 3.05Å; L463-P466 WeakPolarHBondContact O-CD 3.45Å; L463-P466 WeakPolarHBondContact O-CG 3.19Å; P466-T469 WeakPolarHBondContact CA-OG1 3.29Å; P466-K470 WeakPolarHBondContact O-CG 3.31Å; P466-K470 PolarHBondContact O-NZ 2.91Å |
| 467 | F | 71.8 | Confident | 70 | Confident | 66 Ų | 66 | 99.4 Ų | 99.4 | 29% | 0.289 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -88 | -56.5 | 167.4 | 175.4 | -93.7 | 0 | 0 | 0 | 110.7 | T436 E464 W465 T469 K470 L471 | T436-F467 HydrophobicContact CG2-CE2 4.14Å; T436-F467 HydrophobicContact CG2-CZ 4.15Å; E464-F467 WeakPolarHBondContact O-CA 3.4Å; E464-F467 WeakPolarHBondContact O-CB 3.48Å; E464-F467 PolarHBondContact O-N 3.34Å; W465-F467 PolarHBondContact O-N 2.88Å; F467-T469 VanDerWaalsContact C-N 3.33Å; F467-T469 PolarHBondContact O-N 2.85Å; F467-K470 PolarHBondContact O-N 2.78Å; F467-K470 VanDerWaalsContact O-N 3.08Å; F467-L471 HydrophobicContact CE1-CD1 4.13Å; F467-L471 HydrophobicContact CZ-CD1 4.2Å; F467-L471 PolarHBondContact O-N 3Å |
| 468 | W | 74.2 | Confident | 71.6 | Confident | 143 Ų | 143 | 95.9 Ų | 95.9 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -41.3 | -177 | -74 | 107.2 | 0 | 0 | 0 | 112.8 | E464 K470 L471 I472 | E464-W468 VanDerWaalsContact O-CD1 3.29Å; E464-W468 PolarHBondContact O-N 3.34Å; W468-K470 VanDerWaalsContact C-N 3.34Å; W468-K470 PolarHBondContact O-N 3.07Å; W468-L471 PolarHBondContact O-N 3.08Å; W468-I472 VanDerWaalsContact O-CG1 3.28Å; W468-I472 WeakPolarHBondContact O-CG1 3.35Å; W468-I472 PolarHBondContact O-N 2.98Å |
| 469 | T | 81.4 | Confident | 73.5 | Confident | 59 Ų | 59 | 94.3 Ų | 94.3 | 36% | 0.362 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 175.5 | 47.7 | 0 | 0 | 0 | 0 | 113.2 | W465 P466 F467 I472 V473 | W465-T469 HydrophobicContact CE3-CG2 4.14Å; W465-T469 WeakPolarHBondContact O-CB 3.41Å; W465-T469 WeakPolarHBondContact O-CG2 3.32Å; W465-T469 PolarHBondContact O-N 2.67Å; W465-T469 VanDerWaalsContact O-N 3.09Å; W465-T469 PolarHBondContact O-OG1 2.74Å; P466-T469 WeakPolarHBondContact CA-OG1 3.29Å; F467-T469 VanDerWaalsContact C-N 3.33Å; F467-T469 PolarHBondContact O-N 2.85Å; T469-I472 PolarHBondContact O-N 3.4Å; T469-V473 WeakPolarHBondContact O-CG2 3.34Å; T469-V473 PolarHBondContact O-N 2.91Å |
| 470 | K | 80.1 | Confident | 75.4 | Confident | 115 Ų | 115 | 92.2 Ų | 92.2 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.6 | -66.4 | -173.8 | -173.5 | 85.4 | 0 | 111.6 | P466 F467 W468 V473 V474 | P466-K470 WeakPolarHBondContact O-CG 3.31Å; P466-K470 PolarHBondContact O-NZ 2.91Å; F467-K470 PolarHBondContact O-N 2.78Å; F467-K470 VanDerWaalsContact O-N 3.08Å; W468-K470 VanDerWaalsContact C-N 3.34Å; W468-K470 PolarHBondContact O-N 3.07Å; K470-V473 PolarHBondContact O-N 3.39Å; K470-V474 WeakPolarHBondContact O-CG2 3.22Å; K470-V474 PolarHBondContact O-N 3.1Å; K470-V474 VanDerWaalsContact O-N 3.13Å |
| 471 | L | 81.2 | Confident | 77.1 | Confident | 83 Ų | 83 | 87.4 Ų | 87.4 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 179.2 | -167 | 147.4 | 0 | 0 | 0 | 111.4 | F467 W468 V474 A475 | F467-L471 HydrophobicContact CE1-CD1 4.13Å; F467-L471 HydrophobicContact CZ-CD1 4.2Å; F467-L471 PolarHBondContact O-N 3Å; W468-L471 PolarHBondContact O-N 3.08Å; L471-V474 PolarHBondContact O-N 2.82Å; L471-A475 WeakPolarHBondContact O-CB 3.28Å; L471-A475 PolarHBondContact O-N 2.79Å |
| 472 | I | 85.2 | Confident | 78.8 | Confident | 92 Ų | 92 | 88 Ų | 88 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 174.9 | -69.4 | 163.6 | 0 | 0 | 0 | 111.5 | W468 T469 V474 A475 I476 | W468-I472 VanDerWaalsContact O-CG1 3.28Å; W468-I472 WeakPolarHBondContact O-CG1 3.35Å; W468-I472 PolarHBondContact O-N 2.98Å; T469-I472 PolarHBondContact O-N 3.4Å; I472-V474 PolarHBondContact O-N 2.92Å; I472-A475 PolarHBondContact O-N 3.44Å; I472-I476 HydrophobicContact CG2-CD1 3.76Å; I472-I476 HydrophobicContact CG2-CG1 4.45Å; I472-I476 WeakPolarHBondContact O-CG1 3.41Å; I472-I476 PolarHBondContact O-N 3.38Å |
| 473 | V | 85.6 | Confident | 80.4 | Confident | 100 Ų | 100 | 88.3 Ų | 88.3 | 61% | 0.606 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -57.8 | -39.2 | 177.7 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | T469 K470 G477 | T469-V473 WeakPolarHBondContact O-CG2 3.34Å; T469-V473 PolarHBondContact O-N 2.91Å; K470-V473 PolarHBondContact O-N 3.39Å; V473-G477 PolarHBondContact O-N 2.9Å |
| 474 | V | 85.1 | Confident | 82.1 | Confident | 37 Ų | 37 | 85.8 Ų | 85.8 | 22% | 0.224 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 179.3 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | V429 L432 K470 L471 I472 G477 F478 | V429-V474 HydrophobicContact CG2-CG1 4.29Å; L432-V474 HydrophobicContact CD1-CB 4Å; L432-V474 HydrophobicContact CD1-CG1 3.7Å; L432-V474 HydrophobicContact CD1-CG2 3.42Å; L432-V474 VanDerWaalsContact CD1-CG2 3.42Å; K470-V474 WeakPolarHBondContact O-CG2 3.22Å; K470-V474 PolarHBondContact O-N 3.1Å; K470-V474 VanDerWaalsContact O-N 3.13Å; L471-V474 PolarHBondContact O-N 2.82Å; I472-V474 PolarHBondContact O-N 2.92Å; V474-G477 PolarHBondContact O-N 3.03Å; V474-F478 WeakPolarHBondContact O-CB 3.32Å; V474-F478 PolarHBondContact O-N 3.48Å |
| 475 | A | 86.5 | Confident | 83.6 | Confident | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L471 I472 F478 T479 | L471-A475 WeakPolarHBondContact O-CB 3.28Å; L471-A475 PolarHBondContact O-N 2.79Å; I472-A475 PolarHBondContact O-N 3.44Å; A475-F478 PolarHBondContact O-N 3.09Å; A475-T479 VanDerWaalsContact O-CB 3.31Å; A475-T479 WeakPolarHBondContact O-CB 3.33Å; A475-T479 PolarHBondContact O-N 3.32Å; A475-T479 PolarHBondContact O-OG1 2.95Å |
| 476 | I | 91.3 | Very high | 85.1 | Confident | 112 Ų | 112 | 80.3 Ų | 80.3 | 57% | 0.574 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.9 | -48.5 | 173.7 | -67.6 | 166.4 | 0 | 0 | 0 | 110.4 | I472 F478 T479 G480 | I472-I476 HydrophobicContact CG2-CD1 3.76Å; I472-I476 HydrophobicContact CG2-CG1 4.45Å; I472-I476 WeakPolarHBondContact O-CG1 3.41Å; I472-I476 PolarHBondContact O-N 3.38Å; I476-F478 PolarHBondContact O-N 3.17Å; I476-T479 PolarHBondContact O-N 3.5Å; I476-G480 PolarHBondContact O-N 3.25Å |
| 477 | G | 89.3 | Confident | 85.9 | Confident | 37 Ų | 37 | 82.1 Ų | 82.1 | 38% | 0.381 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V473 V474 G481 | V473-G477 PolarHBondContact O-N 2.9Å; V474-G477 PolarHBondContact O-N 3.03Å; G477-G481 PolarHBondContact O-N 3.03Å |
| 478 | F | 87.7 | Confident | 86.5 | Confident | 102 Ų | 102 | 81.4 Ų | 81.4 | 45% | 0.447 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 175.1 | -176.4 | -111 | 0 | 0 | 0 | 112 | M425 V474 A475 I476 G481 L482 | M425-F478 HydrophobicContact CE-CB 3.75Å; M425-F478 HydrophobicContact CE-CD2 4.2Å; M425-F478 HydrophobicContact CE-CG 4.49Å; V474-F478 WeakPolarHBondContact O-CB 3.32Å; V474-F478 PolarHBondContact O-N 3.48Å; A475-F478 PolarHBondContact O-N 3.09Å; I476-F478 PolarHBondContact O-N 3.17Å; F478-G481 PolarHBondContact O-N 3.28Å; F478-L482 HydrophobicContact CD1-CD1 4.01Å; F478-L482 HydrophobicContact CD1-CG 4.41Å; F478-L482 HydrophobicContact CE1-CD1 3.49Å; F478-L482 VanDerWaalsContact CE1-CD1 3.49Å; F478-L482 HydrophobicContact CE1-CG 4.12Å; F478-L482 HydrophobicContact CE2-CD1 4.5Å; F478-L482 HydrophobicContact CE2-CD2 4.35Å; F478-L482 HydrophobicContact CE2-CG 4.33Å; F478-L482 HydrophobicContact CZ-CD1 3.77Å; F478-L482 HydrophobicContact CZ-CD2 4.19Å; F478-L482 HydrophobicContact CZ-CG 4.08Å; F478-L482 WeakPolarHBondContact O-CG 3.41Å; F478-L482 PolarHBondContact O-N 3.18Å |
| 479 | T | 91.6 | Very high | 87 | Confident | 73 Ų | 73 | 77 Ų | 77 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | A475 I476 G481 L482 I483 | A475-T479 VanDerWaalsContact O-CB 3.31Å; A475-T479 WeakPolarHBondContact O-CB 3.33Å; A475-T479 PolarHBondContact O-N 3.32Å; A475-T479 PolarHBondContact O-OG1 2.95Å; I476-T479 PolarHBondContact O-N 3.5Å; T479-G481 VanDerWaalsContact C-N 3.34Å; T479-G481 PolarHBondContact O-N 3.08Å; T479-L482 PolarHBondContact O-N 3.13Å; T479-I483 HydrophobicContact CG2-CD1 4.02Å; T479-I483 WeakPolarHBondContact O-CG1 3.41Å; T479-I483 PolarHBondContact O-N 3.19Å |
| 480 | G | 90.8 | Very high | 87.2 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I476 I483 F484 | I476-G480 PolarHBondContact O-N 3.25Å; G480-I483 PolarHBondContact O-N 2.71Å; G480-F484 WeakPolarHBondContact O-CB 3.38Å; G480-F484 PolarHBondContact O-N 2.75Å |
| 481 | G | 88.9 | Confident | 87.4 | Confident | 38 Ų | 38 | 77 Ų | 77 | 39% | 0.392 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G477 F478 T479 M485 | G477-G481 PolarHBondContact O-N 3.03Å; F478-G481 PolarHBondContact O-N 3.28Å; T479-G481 VanDerWaalsContact C-N 3.34Å; T479-G481 PolarHBondContact O-N 3.08Å; G481-M485 VanDerWaalsContact O-CB 3.27Å; G481-M485 WeakPolarHBondContact O-CB 3.06Å; G481-M485 PolarHBondContact O-N 3.11Å |
| 482 | L | 89 | Confident | 87.5 | Confident | 75 Ų | 75 | 76 Ų | 76 | 39% | 0.393 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 175.3 | -73.3 | -174.5 | 0 | 0 | 0 | 112.2 | F478 T479 M485 Y486 | F478-L482 HydrophobicContact CD1-CD1 4.01Å; F478-L482 HydrophobicContact CD1-CG 4.41Å; F478-L482 HydrophobicContact CE1-CD1 3.49Å; F478-L482 VanDerWaalsContact CE1-CD1 3.49Å; F478-L482 HydrophobicContact CE1-CG 4.12Å; F478-L482 HydrophobicContact CE2-CD1 4.5Å; F478-L482 HydrophobicContact CE2-CD2 4.35Å; F478-L482 HydrophobicContact CE2-CG 4.33Å; F478-L482 HydrophobicContact CZ-CD1 3.77Å; F478-L482 HydrophobicContact CZ-CD2 4.19Å; F478-L482 HydrophobicContact CZ-CG 4.08Å; F478-L482 WeakPolarHBondContact O-CG 3.41Å; F478-L482 PolarHBondContact O-N 3.18Å; T479-L482 PolarHBondContact O-N 3.13Å; L482-M485 HydrophobicContact CD2-CE 3.73Å; L482-M485 PolarHBondContact O-N 2.75Å; L482-Y486 WeakPolarHBondContact O-CB 3.08Å; L482-Y486 PolarHBondContact O-N 3.33Å |
| 483 | I | 91.1 | Very high | 87.4 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 178.3 | -68.5 | 165.5 | 0 | 0 | 0 | 110.5 | T479 G480 Y486 I487 | T479-I483 HydrophobicContact CG2-CD1 4.02Å; T479-I483 WeakPolarHBondContact O-CG1 3.41Å; T479-I483 PolarHBondContact O-N 3.19Å; G480-I483 PolarHBondContact O-N 2.71Å; I483-Y486 PolarHBondContact O-N 2.87Å; I483-I487 HydrophobicContact CG2-CD1 4.08Å; I483-I487 WeakPolarHBondContact O-CG1 3.49Å; I483-I487 PolarHBondContact O-N 3.07Å |
| 484 | F | 87.8 | Confident | 87.3 | Confident | 96 Ų | 96 | 76 Ų | 76 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 176.1 | -175.2 | -102.7 | 0 | 0 | 0 | 111.7 | F417 H418 G480 Y486 I487 Q488 | F417-F484 HydrophobicContact CE1-CE1 4.28Å; H418-F484 AromaticContact CE1-CE1 3.66Å; H418-F484 AromaticContact NE2-CD1 3.44Å; H418-F484 WeakPolarHBondContact NE2-CD1 3.41Å; H418-F484 AromaticContact NE2-CE1 3.32Å; H418-F484 VanDerWaalsContact NE2-CE1 3.32Å; H418-F484 WeakPolarHBondContact NE2-CE1 3.44Å; G480-F484 WeakPolarHBondContact O-CB 3.38Å; G480-F484 PolarHBondContact O-N 2.75Å; F484-Y486 VanDerWaalsContact C-N 3.31Å; F484-Y486 PolarHBondContact O-N 3.41Å; F484-I487 PolarHBondContact O-N 3.26Å; F484-Q488 HydrophobicContact CD1-CG 4.34Å; F484-Q488 HydrophobicContact CE1-CG 4.05Å; F484-Q488 HydrophobicContact CZ-CG 4.17Å; F484-Q488 WeakPolarHBondContact O-CG 3.4Å; F484-Q488 PolarHBondContact O-N 2.96Å |
| 485 | M | 88.1 | Confident | 87.1 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 176.5 | -175.2 | 175.2 | 68.9 | 0 | 0 | 112.1 | I422 G481 L482 Q488 C489 | I422-M485 HydrophobicContact CD1-SD 3.85Å; I422-M485 HydrophobicContact CG1-SD 4.36Å; G481-M485 VanDerWaalsContact O-CB 3.27Å; G481-M485 WeakPolarHBondContact O-CB 3.06Å; G481-M485 PolarHBondContact O-N 3.11Å; L482-M485 HydrophobicContact CD2-CE 3.73Å; L482-M485 PolarHBondContact O-N 2.75Å; M485-Q488 PolarHBondContact O-N 2.77Å; M485-C489 WeakPolarHBondContact O-CB 3.39Å; M485-C489 PolarHBondContact O-N 3.09Å |
| 486 | Y | 87.9 | Confident | 86.7 | Confident | 144 Ų | 144 | 80.7 Ų | 80.7 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 176.5 | 175.2 | -101.3 | 0 | 0 | 0 | 112.6 | L482 I483 F484 Q488 C489 K490 | L482-Y486 WeakPolarHBondContact O-CB 3.08Å; L482-Y486 PolarHBondContact O-N 3.33Å; I483-Y486 PolarHBondContact O-N 2.87Å; F484-Y486 VanDerWaalsContact C-N 3.31Å; F484-Y486 PolarHBondContact O-N 3.41Å; Y486-Q488 VanDerWaalsContact C-N 3.35Å; Y486-Q488 PolarHBondContact O-N 2.76Å; Y486-C489 WeakPolarHBondContact O-CB 3.23Å; Y486-C489 PolarHBondContact O-N 2.91Å; Y486-K490 HydrophobicContact CE1-CD 4.49Å; Y486-K490 VanDerWaalsContact CZ-CE 3.49Å; Y486-K490 PolarHBondContact O-N 2.73Å; Y486-K490 VanDerWaalsContact O-N 3.14Å; Y486-K490 WeakPolarHBondContact OH-CE 3.39Å; Y486-K490 PolarHBondContact OH-NZ 3.24Å |
| 487 | I | 89 | Confident | 86.3 | Confident | 95 Ų | 95 | 83.9 Ų | 83.9 | 49% | 0.487 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 174.5 | -67.3 | 163.5 | 0 | 0 | 0 | 110.3 | I483 F484 C489 K490 | I483-I487 HydrophobicContact CG2-CD1 4.08Å; I483-I487 WeakPolarHBondContact O-CG1 3.49Å; I483-I487 PolarHBondContact O-N 3.07Å; F484-I487 PolarHBondContact O-N 3.26Å; I487-C489 VanDerWaalsContact C-N 3.35Å; I487-K490 PolarHBondContact O-N 3.29Å |
| 488 | Q | 84.9 | Confident | 85.8 | Confident | 50 Ų | 50 | 90.3 Ų | 90.3 | 23% | 0.234 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.5 | -32.8 | 177.1 | -60.4 | -71 | -15.8 | 0 | 0 | 111.8 | F484 M485 Y486 K490 V491 Y492 | F484-Q488 HydrophobicContact CD1-CG 4.34Å; F484-Q488 HydrophobicContact CE1-CG 4.05Å; F484-Q488 HydrophobicContact CZ-CG 4.17Å; F484-Q488 WeakPolarHBondContact O-CG 3.4Å; F484-Q488 PolarHBondContact O-N 2.96Å; M485-Q488 PolarHBondContact O-N 2.77Å; Y486-Q488 VanDerWaalsContact C-N 3.35Å; Y486-Q488 PolarHBondContact O-N 2.76Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 2.91Å; Q488-V491 WeakPolarHBondContact O-CB 3.32Å; Q488-V491 PolarHBondContact O-N 3.38Å; Q488-Y492 HydrophobicContact CB-CE2 4.04Å; Q488-Y492 WeakPolarHBondContact O-CD2 3.27Å; Q488-Y492 PolarHBondContact O-N 2.71Å |
| 489 | C | 84 | Confident | 85.2 | Confident | 50 Ų | 50 | 87.7 Ų | 87.7 | 34% | 0.338 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.1 | -40.3 | 173.3 | -169.4 | 0 | 0 | 0 | 0 | 112 | M485 Y486 I487 V491 Y492 L493 | M485-C489 WeakPolarHBondContact O-CB 3.39Å; M485-C489 PolarHBondContact O-N 3.09Å; Y486-C489 WeakPolarHBondContact O-CB 3.23Å; Y486-C489 PolarHBondContact O-N 2.91Å; I487-C489 VanDerWaalsContact C-N 3.35Å; C489-V491 VanDerWaalsContact C-N 3.27Å; C489-V491 PolarHBondContact O-N 3.49Å; C489-Y492 PolarHBondContact O-N 2.66Å; C489-L493 WeakPolarHBondContact O-CB 3.46Å; C489-L493 VanDerWaalsContact O-CG 3.27Å; C489-L493 WeakPolarHBondContact O-CG 3.49Å; C489-L493 PolarHBondContact O-N 2.72Å |
| 490 | K | 85.7 | Confident | 84.5 | Confident | 108 Ų | 108 | 88.5 Ų | 88.5 | 47% | 0.47 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.6 | -38.9 | 173.6 | -73 | -174.9 | 176.6 | 177.3 | 0 | 112.3 | Y486 I487 Q488 Q494 | Y486-K490 HydrophobicContact CE1-CD 4.49Å; Y486-K490 VanDerWaalsContact CZ-CE 3.49Å; Y486-K490 PolarHBondContact O-N 2.73Å; Y486-K490 VanDerWaalsContact O-N 3.14Å; Y486-K490 WeakPolarHBondContact OH-CE 3.39Å; Y486-K490 PolarHBondContact OH-NZ 3.24Å; I487-K490 PolarHBondContact O-N 3.29Å; Q488-K490 VanDerWaalsContact C-N 3.32Å; Q488-K490 PolarHBondContact O-N 2.91Å; K490-Q494 VanDerWaalsContact O-CG 3.31Å; K490-Q494 WeakPolarHBondContact O-CG 3.25Å; K490-Q494 PolarHBondContact O-N 3.24Å |
| 491 | V | 84.9 | Confident | 83.8 | Confident | 66 Ų | 66 | 89.1 Ų | 89.1 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.6 | -47.3 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 111 | Q488 C489 L493 Q494 L495 | Q488-V491 WeakPolarHBondContact O-CB 3.32Å; Q488-V491 PolarHBondContact O-N 3.38Å; C489-V491 VanDerWaalsContact C-N 3.27Å; C489-V491 PolarHBondContact O-N 3.49Å; V491-L493 VanDerWaalsContact C-N 3.33Å; V491-L493 PolarHBondContact O-N 2.68Å; V491-Q494 PolarHBondContact O-N 3.04Å; V491-L495 HydrophobicContact CG1-CD1 4.25Å; V491-L495 WeakPolarHBondContact O-CD1 3.31Å; V491-L495 PolarHBondContact O-N 3.16Å; V491-L495 VanDerWaalsContact O-N 3.09Å |
| 492 | Y | 83.4 | Confident | 83 | Confident | 64 Ų | 64 | 92.1 Ų | 92.1 | 25% | 0.251 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 176.6 | -62.1 | -52.7 | 0 | 0 | 0 | 112.4 | I411 S414 V415 Q488 C489 L495 W496 | I411-Y492 HydrophobicContact CG2-CE1 4.18Å; S414-Y492 WeakPolarHBondContact CB-OH 3.48Å; S414-Y492 PolarHBondContact OG-OH 2.96Å; S414-Y492 VanDerWaalsContact OG-OH 3.05Å; V415-Y492 HydrophobicContact CG2-CD1 4.43Å; V415-Y492 HydrophobicContact CG2-CE1 3.56Å; V415-Y492 HydrophobicContact CG2-CE2 4.47Å; V415-Y492 WeakPolarHBondContact CG2-OH 3.49Å; V415-Y492 PolarHBondContact N-OH 2.85Å; Q488-Y492 HydrophobicContact CB-CE2 4.04Å; Q488-Y492 WeakPolarHBondContact O-CD2 3.27Å; Q488-Y492 PolarHBondContact O-N 2.71Å; C489-Y492 PolarHBondContact O-N 2.66Å; Y492-L495 PolarHBondContact O-N 3.03Å; Y492-W496 WeakPolarHBondContact O-CB 3.02Å; Y492-W496 PolarHBondContact O-N 3.48Å |
| 493 | L | 82.6 | Confident | 82.4 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 40% | 0.398 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 176 | -72.1 | 170.8 | 0 | 0 | 0 | 112.6 | C489 V491 W496 R497 | C489-L493 WeakPolarHBondContact O-CB 3.46Å; C489-L493 VanDerWaalsContact O-CG 3.27Å; C489-L493 WeakPolarHBondContact O-CG 3.49Å; C489-L493 PolarHBondContact O-N 2.72Å; V491-L493 VanDerWaalsContact C-N 3.33Å; V491-L493 PolarHBondContact O-N 2.68Å; L493-W496 HydrophobicContact CD2-CE3 4.48Å; L493-W496 PolarHBondContact O-N 2.9Å; L493-R497 WeakPolarHBondContact O-CB 3.44Å; L493-R497 VanDerWaalsContact O-CG 3.27Å; L493-R497 WeakPolarHBondContact O-CG 3.41Å; L493-R497 PolarHBondContact O-N 3.18Å |
| 494 | Q | 82.9 | Confident | 81.9 | Confident | 116 Ų | 116 | 90.7 Ų | 90.7 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 172.2 | -76.2 | 174.4 | 2.7 | 0 | 0 | 111.7 | K490 V491 R497 R498 | K490-Q494 VanDerWaalsContact O-CG 3.31Å; K490-Q494 WeakPolarHBondContact O-CG 3.25Å; K490-Q494 PolarHBondContact O-N 3.24Å; V491-Q494 PolarHBondContact O-N 3.04Å; Q494-R497 PolarHBondContact O-N 2.79Å; Q494-R498 WeakPolarHBondContact O-CG 3.32Å; Q494-R498 PolarHBondContact O-N 2.88Å; Q494-R498 VanDerWaalsContact O-N 3.09Å |
| 495 | L | 81.6 | Confident | 81.3 | Confident | 46 Ų | 46 | 89.3 Ų | 89.3 | 24% | 0.241 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 174.8 | -90.4 | 68.9 | 0 | 0 | 0 | 111.7 | I411 V491 Y492 R498 L499 | I411-L495 HydrophobicContact CD1-CD2 3.36Å; I411-L495 HydrophobicContact CG1-CD2 3.94Å; V491-L495 HydrophobicContact CG1-CD1 4.25Å; V491-L495 WeakPolarHBondContact O-CD1 3.31Å; V491-L495 PolarHBondContact O-N 3.16Å; V491-L495 VanDerWaalsContact O-N 3.09Å; Y492-L495 PolarHBondContact O-N 3.03Å; L495-R498 PolarHBondContact O-N 2.96Å; L495-L499 WeakPolarHBondContact O-CB 3.43Å; L495-L499 PolarHBondContact O-N 3.27Å |
| 496 | W | 78.3 | Confident | 80.9 | Confident | 135 Ų | 135 | 89.3 Ų | 89.3 | 51% | 0.511 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 175.9 | -174 | 70.5 | 0 | 0 | 0 | 112.5 | Y492 L493 R498 L499 K500 | Y492-W496 WeakPolarHBondContact O-CB 3.02Å; Y492-W496 PolarHBondContact O-N 3.48Å; L493-W496 HydrophobicContact CD2-CE3 4.48Å; L493-W496 PolarHBondContact O-N 2.9Å; W496-R498 PolarHBondContact O-N 2.81Å; W496-L499 PolarHBondContact O-N 3.36Å; W496-K500 HydrophobicContact CH2-CD 4.46Å; W496-K500 VanDerWaalsContact O-CB 3.3Å; W496-K500 WeakPolarHBondContact O-CB 3.26Å; W496-K500 PolarHBondContact O-N 3.38Å |
| 497 | R | 83.6 | Confident | 80.6 | Confident | 179 Ų | 179 | 83.6 Ų | 83.6 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 171.4 | -74.1 | 172.8 | -174.3 | -169.7 | 1.4 | 111.6 | L493 Q494 K500 A501 | L493-R497 WeakPolarHBondContact O-CB 3.44Å; L493-R497 VanDerWaalsContact O-CG 3.27Å; L493-R497 WeakPolarHBondContact O-CG 3.41Å; L493-R497 PolarHBondContact O-N 3.18Å; Q494-R497 PolarHBondContact O-N 2.79Å; R497-K500 PolarHBondContact O-N 2.99Å; R497-A501 WeakPolarHBondContact O-CB 3.47Å; R497-A501 PolarHBondContact O-N 2.98Å |
| 498 | R | 78.7 | Confident | 80.4 | Confident | 172 Ų | 172 | 79.1 Ų | 79.1 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 174.7 | -71.6 | 179.2 | 177 | -172.5 | -0.7 | 112.2 | Q494 L495 W496 A501 F502 | Q494-R498 WeakPolarHBondContact O-CG 3.32Å; Q494-R498 PolarHBondContact O-N 2.88Å; Q494-R498 VanDerWaalsContact O-N 3.09Å; L495-R498 PolarHBondContact O-N 2.96Å; W496-R498 PolarHBondContact O-N 2.81Å; R498-A501 PolarHBondContact O-N 2.88Å; R498-F502 WeakPolarHBondContact O-CB 3.49Å; R498-F502 PolarHBondContact O-N 3.12Å |
| 499 | L | 74.4 | Confident | 80.6 | Confident | 47 Ų | 47 | 81 Ų | 81 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 176.2 | -178.3 | 65.7 | 0 | 0 | 0 | 112.5 | W398 L401 L495 W496 F502 N503 | W398-L499 HydrophobicContact CE3-CD1 4.38Å; W398-L499 HydrophobicContact CE3-CD2 3.96Å; W398-L499 HydrophobicContact CE3-CG 3.92Å; W398-L499 HydrophobicContact CZ3-CD2 3.69Å; W398-L499 HydrophobicContact CZ3-CG 3.69Å; L401-L499 HydrophobicContact CB-CD1 3.61Å; L401-L499 HydrophobicContact CD2-CB 4.28Å; L401-L499 HydrophobicContact CD2-CD1 4.28Å; L495-L499 WeakPolarHBondContact O-CB 3.43Å; L495-L499 PolarHBondContact O-N 3.27Å; W496-L499 PolarHBondContact O-N 3.36Å; L499-F502 PolarHBondContact O-N 3.38Å; L499-N503 WeakPolarHBondContact CD1-ND2 3.4Å; L499-N503 PolarHBondContact O-N 3.39Å; L499-N503 PolarHBondContact O-ND2 2.84Å |
| 500 | K | 76.6 | Confident | 80.7 | Confident | 91 Ų | 91 | 82 Ų | 82 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 175 | -179.4 | 170.9 | 172.8 | 166.9 | 0 | 111.7 | L392 W496 R497 R504 | L392-K500 HydrophobicContact CD1-CD 4.32Å; L392-K500 HydrophobicContact CD1-CG 4.18Å; L392-K500 HydrophobicContact CD2-CG 3.75Å; W496-K500 HydrophobicContact CH2-CD 4.46Å; W496-K500 VanDerWaalsContact O-CB 3.3Å; W496-K500 WeakPolarHBondContact O-CB 3.26Å; W496-K500 PolarHBondContact O-N 3.38Å; R497-K500 PolarHBondContact O-N 2.99Å; K500-R504 PolarHBondContact O-N 2.73Å |
| 501 | A | 76.8 | Confident | 80.7 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R497 R498 N503 R504 | R497-A501 WeakPolarHBondContact O-CB 3.47Å; R497-A501 PolarHBondContact O-N 2.98Å; R498-A501 PolarHBondContact O-N 2.88Å; A501-N503 VanDerWaalsContact C-N 3.34Å; A501-N503 PolarHBondContact O-N 3Å; A501-R504 WeakPolarHBondContact O-CB 3.22Å; A501-R504 PolarHBondContact O-N 3.04Å |
| 502 | F | 71.3 | Confident | 80.3 | Confident | 102 Ų | 102 | 77.9 Ų | 77.9 | 45% | 0.447 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.9 | -31.3 | 178.1 | -169.7 | -92.2 | 0 | 0 | 0 | 113.5 | E399 L401 R498 L499 | E399-F502 HydrophobicContact CB-CE1 3.91Å; L401-F502 HydrophobicContact CD1-CB 3.99Å; L401-F502 HydrophobicContact CD1-CD1 4.27Å; L401-F502 HydrophobicContact CD1-CD2 3.88Å; L401-F502 HydrophobicContact CD1-CE2 4.46Å; L401-F502 HydrophobicContact CD1-CG 3.77Å; R498-F502 WeakPolarHBondContact O-CB 3.49Å; R498-F502 PolarHBondContact O-N 3.12Å; L499-F502 PolarHBondContact O-N 3.38Å |
| 503 | N | 76 | Confident | 79.6 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 14.5 | 178.1 | -71.7 | -80.3 | 0 | 0 | 0 | 113.8 | K393 W398 E399 L499 A501 | K393-N503 HydrophobicContact CB-CB 4.48Å; K393-N503 HydrophobicContact CD-CB 4.5Å; K393-N503 PolarHBondContact N-O 3.49Å; W398-N503 WeakPolarHBondContact CA-OD1 3.33Å; W398-N503 HydrophobicContact CD2-CB 3.85Å; W398-N503 HydrophobicContact CE3-CB 4.42Å; W398-N503 HydrophobicContact CG-CB 4.07Å; W398-N503 HydrophobicContact CZ2-CB 4.21Å; E399-N503 PolarHBondContact N-OD1 2.88Å; L499-N503 WeakPolarHBondContact CD1-ND2 3.4Å; L499-N503 PolarHBondContact O-N 3.39Å; L499-N503 PolarHBondContact O-ND2 2.84Å; A501-N503 VanDerWaalsContact C-N 3.34Å; A501-N503 PolarHBondContact O-N 3Å |
| 504 | R | 80.5 | Confident | 78.1 | Confident | 142 Ų | 142 | 85.9 Ų | 85.9 | 54% | 0.536 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -84.7 | 121.1 | 171.9 | -176.5 | 179.9 | 65.5 | -166.6 | 0.8 | 109.9 | T390 L392 K500 A501 | T390-R504 HydrophobicContact CG2-CG 4.29Å; L392-R504 HydrophobicContact CD2-CB 4.17Å; K500-R504 PolarHBondContact O-N 2.73Å; A501-R504 WeakPolarHBondContact O-CB 3.22Å; A501-R504 PolarHBondContact O-N 3.04Å |
| 505 | I | 76.8 | Confident | 76.2 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 34% | 0.344 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 149.1 | 166.2 | -70.2 | 174.6 | 0 | 0 | 0 | 108 | T390 K391 K393 T507 | T390-I505 CarbonylContact C-O 3.6Å; T390-I505 WeakPolarHBondContact CA-O 3.49Å; K391-I505 PolarHBondContact N-O 3.41Å; K391-I505 WeakPolarHBondContact O-CA 3.49Å; K391-I505 PolarHBondContact O-N 2.97Å; K393-I505 HydrophobicContact CD-CD1 4.27Å; K393-I505 HydrophobicContact CG-CD1 3.47Å; K393-I505 VanDerWaalsContact CG-CD1 3.47Å; K393-I505 HydrophobicContact CG-CG1 3.86Å; I505-T507 HydrophobicContact CG2-CG2 3.77Å |
| 506 | I | 79.2 | Confident | 74.7 | Confident | 74 Ų | 74 | 92 Ų | 92 | 38% | 0.379 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 124.3 | 161.3 | -58.7 | 170.6 | 0 | 0 | 0 | 105.8 | N368 M388 E389 T390 | N368-I506 PolarHBondContact OD1-O 3.49Å; M388-I506 HydrophobicContact CB-CG2 3.86Å; M388-I506 HydrophobicContact CG-CG2 3.97Å; M388-I506 HydrophobicContact SD-CG2 3.93Å; E389-I506 WeakPolarHBondContact O-CA 3.36Å; T390-I506 HydrophobicContact CG2-CG1 4.17Å |
| 507 | T | 81.8 | Confident | 73.1 | Confident | 23 Ų | 23 | 93.8 Ų | 93.8 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.6 | 174.5 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | E389 I505 | E389-T507 PolarHBondContact N-O 3Å; E389-T507 PolarHBondContact O-N 2.92Å; E389-T507 PolarHBondContact O-OG1 3.39Å; I505-T507 HydrophobicContact CG2-CG2 3.77Å |
| 508 | V | 85.4 | Confident | 70.8 | Confident | 2 Ų | 2 | 93.3 Ų | 93.3 | 1% | 0.012 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.5 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 109 | I350 P352 Q364 L367 I371 F386 I387 M388 | I350-V508 HydrophobicContact CD1-CB 4.49Å; P352-V508 HydrophobicContact CB-CG1 3.78Å; Q364-V508 PolarHBondContact NE2-O 3.27Å; Q364-V508 PolarHBondContact OE1-O 3.09Å; L367-V508 HydrophobicContact CD2-CB 3.72Å; L367-V508 HydrophobicContact CD2-CG1 3.77Å; L367-V508 HydrophobicContact CD2-CG2 3.91Å; L367-V508 HydrophobicContact CG-CG2 4.49Å; I371-V508 HydrophobicContact CD1-CG2 3.67Å; F386-V508 HydrophobicContact CB-CG1 3.85Å; F386-V508 HydrophobicContact CB-CG2 4.36Å; F386-V508 HydrophobicContact CD1-CG1 4.39Å; F386-V508 HydrophobicContact CG-CG1 4.34Å; I387-V508 CarbonylContact O-C 3.6Å; I387-V508 WeakPolarHBondContact O-CA 3.27Å; M388-V508 HydrophobicContact CG-CG2 4.29Å |
| 509 | Q | 87.6 | Confident | 69 | Low | 89 Ų | 89 | 89.4 Ų | 89.4 | 42% | 0.416 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -83 | 165.1 | 170.8 | -72.1 | -157.4 | 3.4 | 0 | 0 | 112.3 | I387 E389 | I387-Q509 HydrophobicContact CB-CB 4.33Å; I387-Q509 HydrophobicContact CG2-CB 4.15Å; I387-Q509 PolarHBondContact O-N 2.77Å; E389-Q509 HydrophobicContact CG-CG 4.37Å; E389-Q509 PolarHBondContact OE2-NE2 3.25Å |
| 510 | N | 87.6 | Confident | 67.3 | Low | 71 Ų | 71 | 93.7 Ų | 93.7 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 145.9 | 163.6 | -71.1 | 3.5 | 0 | 0 | 0 | 110.7 | I350 T351 | I350-N510 VanDerWaalsContact CA-OD1 3.24Å; I350-N510 WeakPolarHBondContact CA-OD1 3.4Å; I350-N510 WeakPolarHBondContact CB-OD1 3.43Å; I350-N510 WeakPolarHBondContact CG2-OD1 3.28Å; T351-N510 PolarHBondContact N-OD1 3.03Å; T351-N510 WeakPolarHBondContact O-CA 3.03Å; T351-N510 VanDerWaalsContact OG1-CG 3.25Å; T351-N510 PolarHBondContact OG1-ND2 3.4Å |
| 511 | C | 84.9 | Confident | 65.5 | Low | 9 Ų | 9 | 97.5 Ų | 97.5 | 6% | 0.061 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -66 | 134.7 | 164.8 | -175.3 | 0 | 0 | 0 | 0 | 109 | T351 R354 F384 E513 | T351-C511 WeakPolarHBondContact O-CB 3.32Å; T351-C511 PolarHBondContact O-N 3.02Å; R354-C511 WeakPolarHBondContact CG-SG 3.37Å; R354-C511 PolarHBondContact NH1-SG 3.29Å; F384-C511 HydrophobicContact CE1-CB 3.88Å; F384-C511 WeakPolarHBondContact CE1-SG 3.41Å; F384-C511 HydrophobicContact CZ-CB 4.37Å; F384-C511 WeakPolarHBondContact CZ-SG 3.46Å; C511-E513 PolarHBondContact O-N 3.04Å; C511-E513 VanDerWaalsContact O-N 3.16Å |
| 512 | P | 77.3 | Confident | 63.6 | Low | 79 Ų | 79 | 99.4 Ų | 99.4 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 122.5 | 172.4 | 25.4 | -33.8 | 0 | 0 | 0 | 109.6 | R354 I387 K514 | R354-P512 PolarHBondContact NH1-O 2.89Å; I387-P512 HydrophobicContact CD1-CG 4.33Å; P512-K514 PolarHBondContact O-N 3.48Å |
| 513 | E | 66.9 | Low | 62.1 | Low | 152 Ų | 152 | 106 Ų | 106 | 71% | 0.71 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 128.4 | 178.3 | -72.1 | 166.8 | -163.9 | 0 | 0 | 110.4 | C511 N515 | C511-E513 PolarHBondContact O-N 3.04Å; C511-E513 VanDerWaalsContact O-N 3.16Å; E513-N515 VanDerWaalsContact C-N 3.31Å; E513-N515 PolarHBondContact O-N 3.33Å; E513-N515 PolarHBondContact O-ND2 2.94Å |
| 514 | K | 52.5 | Low | 60.3 | Low | 156 Ų | 156 | 112.1 Ų | 112.1 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | trans | -70.9 | 96.9 | 166.2 | -80.7 | -179.1 | 174.6 | -172.9 | 0 | 106.8 | P512 L516 | P512-K514 PolarHBondContact O-N 3.48Å; K514-L516 PolarHBondContact O-N 3.42Å | ||
| 515 | N | 42 | Very low | 58.1 | Low | 152 Ų | 152 | 109.1 Ų | 109.1 | 81% | 0.813 | 59% | 0.588 | S | S | * | * | trans | -53.3 | 106.7 | 176.8 | -85 | -120.8 | 0 | 0 | 0 | 109.2 | E513 | E513-N515 VanDerWaalsContact C-N 3.31Å; E513-N515 PolarHBondContact O-N 3.33Å; E513-N515 PolarHBondContact O-ND2 2.94Å | ||
| 516 | L | 50.1 | Low | 55.9 | Low | 138 Ų | 138 | 111 Ų | 111 | 72% | 0.723 | 61% | 0.614 | S | S | * | * | trans | -122.3 | 113 | 173.1 | -77.5 | 176.2 | 0 | 0 | 0 | 107.9 | K514 | K514-L516 PolarHBondContact O-N 3.42Š| ||
| 517 | H | 45.7 | Very low | 53.7 | Low | 173 Ų | 173 | 116.5 Ų | 116.5 | 80% | 0.801 | 64% | 0.64 | S | S | * | * | trans | 61 | 87.6 | 169.9 | -52.8 | -71.2 | 0 | 0 | 0 | 117.3 | ||||
| 518 | H | 34.2 | Very low | 51.4 | Low | 169 Ų | 169 | 121.5 Ų | 121.5 | 78% | 0.782 | 68% | 0.675 | S | S | * | * | trans | -134.1 | 124.3 | 133 | -135.8 | -79.6 | 0 | 0 | 0 | 110.2 | ||||
| 519 | P | 41.8 | Very low | 48.9 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 58% | 0.578 | 72% | 0.718 | S | S | * | * | trans | -71.1 | 153 | 172.1 | 30.5 | -34 | 0 | 0 | 0 | 110.3 | Q521 | P519-Q521 PolarHBondContact O-N 2.88Š| ||
| 520 | P | 39.3 | Very low | 46.2 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | trans | -74.1 | 92.6 | -174 | 30 | -35.3 | 0 | 0 | 0 | 111.6 | ||||
| 521 | Q | 38.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 143.1 | 172 | -73.7 | -146 | 26.7 | 0 | 0 | 112.6 | P519 | P519-Q521 PolarHBondContact O-N 2.88Š|
| 522 | A | 35.6 | Very low | 41.1 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 146.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 523 | R | 40.8 | Very low | 39 | Very low | 240 Ų | 240 | 144.3 Ų | 144.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 131.4 | 155.9 | -70.9 | 177.1 | 173 | 167.3 | -2.9 | 109.6 | ||
| 524 | P | 37.6 | Very low | 37.4 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66 | 130.5 | 157.3 | -16.1 | 31.1 | 0 | 0 | 0 | 109.5 | ||
| 525 | G | 35.3 | Very low | 36.5 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 156.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 526 | A | 30.8 | Very low | 36 | Very low | 107 Ų | 107 | 141 Ų | 141 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -120.4 | 143.3 | 163 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 527 | M | 33.2 | Very low | 35.2 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | trans | -91.5 | 147.2 | -156.4 | -58.3 | 168.9 | 71.6 | 0 | 0 | 114.4 | ||||
| 528 | S | 33 | Very low | 35.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -142.7 | 161.2 | 145.7 | 64.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 529 | N | 31.5 | Very low | 35.5 | Very low | 169 Ų | 169 | 136 Ų | 136 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -131.8 | 143.3 | -156.1 | -174.5 | 16 | 0 | 0 | 0 | 112 | ||||
| 530 | G | 31.3 | Very low | 35.1 | Very low | 63 Ų | 63 | 135.8 Ų | 135.8 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | 124.1 | 90 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 531 | K | 30.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | 57.3 | 102.4 | 118.6 | -161.2 | -154.8 | -169.2 | -141.5 | 0 | 120.9 | |||||
| 532 | H | 35.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | -169.4 | 172.4 | 105.7 | -118.3 | -78.6 | 0 | 0 | 0 | 113.1 | |||||
| 533 | E | 33.6 | Very low | 35 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -94.8 | 152.2 | -171.4 | -61.2 | 159.9 | 86.4 | 0 | 0 | 115.4 | ||||
| 534 | A | 32.3 | Very low | 34.7 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 159.1 | 121.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 535 | V | 34 | Very low | 34.8 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | 55.6 | 116.1 | 70.2 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 536 | E | 32.1 | Very low | 34.7 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | cis | -147.6 | -161.1 | 37.8 | -147.4 | 150.1 | -127.5 | 0 | 0 | 114.6 | ||||
| 537 | V | 33.7 | Very low | 34.7 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -151.2 | 172.1 | -159.9 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 538 | P | 53.4 | Low | 34.7 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -117.5 | -161 | -37.2 | 30.2 | -9.3 | 0 | 0 | 0 | 113.2 | ||||
| 539 | V | 31.6 | Very low | 35.1 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | 130.9 | 139.3 | 141.4 | 177.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 540 | A | 34.3 | Very low | 35 | Very low | 86 Ų | 86 | 131.5 Ų | 131.5 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -111.1 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 541 | P | 43.7 | Very low | 35.5 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | cis | -137.6 | -168.6 | 42.9 | 39.5 | -18.1 | 0 | 0 | 0 | 114.8 | ||||
| 542 | A | 35 | Very low | 35.6 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -95.8 | 164.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 543 | L | 31 | Very low | 35.8 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | trans | -146.7 | 169.5 | 150.7 | -139.6 | 75.6 | 0 | 0 | 0 | 111.2 | ||||
| 544 | A | 35.3 | Very low | 36.1 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | trans | -79.9 | 162.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 545 | P | 39.4 | Very low | 36.3 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -76.2 | 151.1 | -176.7 | 31.8 | -36.5 | 0 | 0 | 0 | 113.3 | ||||
| 546 | A | 32.7 | Very low | 36.6 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -112.9 | 118.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 547 | Q | 32.7 | Very low | 36.8 | Very low | 166 Ų | 166 | 132 Ų | 132 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 55.2 | 120.7 | 141.8 | -61.1 | 178.9 | -51.6 | 0 | 0 | 120.2 | M549 | Q547-M549 HydrophobicContact CB-CE 4.22Š| ||
| 548 | D | 32.6 | Very low | 37 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -57.1 | 153.2 | 153.9 | -72.8 | -75.2 | 0 | 0 | 0 | 111.9 | ||||
| 549 | M | 40.6 | Very low | 36.4 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -111.5 | 100.7 | 176 | -63.1 | -67.9 | 144.3 | 0 | 0 | 109.3 | Q547 | Q547-M549 HydrophobicContact CB-CE 4.22Š| ||
| 550 | D | 30.5 | Very low | 36.9 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -76.6 | 161.3 | 174.9 | -141.5 | -42.2 | 0 | 0 | 0 | 111.4 | ||||
| 551 | S | 41.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -158 | 81.9 | 179.7 | -75.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 552 | D | 33.3 | Very low | 37.8 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -58.7 | 146.6 | 170.8 | -104.7 | -49.8 | 0 | 0 | 0 | 113.4 | ||||
| 553 | L | 37.8 | Very low | 38.5 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -143.7 | 79.8 | 150.9 | -167.5 | 66.6 | 0 | 0 | 0 | 111.9 | ||||
| 554 | S | 40 | Very low | 38.9 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 53 | 123.8 | 148.5 | -60.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 555 | V | 36.3 | Very low | 39.8 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 145.8 | 169.1 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 556 | E | 41 | Very low | 39.7 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -113.1 | 139.4 | 151.3 | -165.1 | 179.5 | 117.5 | 0 | 0 | 108.9 | ||||
| 557 | A | 37 | Very low | 40 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | trans | -99 | 143.8 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 558 | A | 37.4 | Very low | 40.4 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -127 | 125.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 559 | V | 40.1 | Very low | 40.8 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 87% | 0.867 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 139.5 | -171.9 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 560 | A | 43.9 | Very low | 40.9 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -93 | 146.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 561 | P | 48.2 | Very low | 41.5 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 146.7 | -179.2 | 33.3 | -35 | 0 | 0 | 0 | 113.3 | ||
| 562 | D | 46.9 | Very low | 41.5 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70 | 150.3 | 175.4 | -96 | -54.7 | 0 | 0 | 0 | 114 | ||
| 563 | P | 50.8 | Low | 42.1 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | trans | -84.7 | 114.7 | 166.4 | 33.3 | -29.9 | 0 | 0 | 0 | 111.4 | ||||
| 564 | N | 39.2 | Very low | 42.5 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -71.4 | 141.8 | 174.4 | -167.7 | 86.6 | 0 | 0 | 0 | 111.6 | ||||
| 565 | P | 55 | Low | 42.7 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 62% | 0.623 | 84% | 0.843 | S | S | * | * | trans | -85.7 | 173.9 | -177.4 | 35.2 | -37.7 | 0 | 0 | 0 | 114.4 | ||||
| 566 | V | 36 | Very low | 43.2 | Very low | 222 Ų | 222 | 135.1 Ų | 135.1 | 100% | 1.345 | 84% | 0.843 | S | S | * | * | trans | 78.4 | 0 | 177.3 | -167.1 | 0 | 0 | 0 | 0 | 115 |
Retrieved 566 of 566 residues in 710.5 ms
(Link to these results)