| 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 | 32.8 | Very low | 33.9 | Very low | 231 Ų | 231 | 157 Ų | 157 | 100% | 1.138 | 85% | 0.851 | S | S | * | * | 0 | 167 | 0 | -75.6 | 173.4 | 67.9 | 0 | 0 | 108.3 | |||||
| 2 | W | 34.9 | Very low | 34.1 | Very low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | trans | 72.1 | 82.5 | -163.5 | -61.1 | 78.5 | 0 | 0 | 0 | 113.6 | ||||
| 3 | N | 30.9 | Very low | 34 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 82% | 0.824 | 84% | 0.842 | S | S | * | * | trans | -73.9 | 157.9 | 140.8 | -61.3 | -2.8 | 0 | 0 | 0 | 107.8 | ||||
| 4 | T | 37.2 | Very low | 34 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | -167.7 | 152.2 | 123.3 | -65.5 | 0 | 0 | 0 | 0 | 107 | |||||
| 5 | E | 36.1 | Very low | 34 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -91.9 | -162.1 | -177.2 | -66.1 | 160 | 149.8 | 0 | 0 | 111 | ||||
| 6 | D | 38.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 83% | 0.83 | S | S | * | * | trans | 63.8 | 99 | 160.9 | -75.2 | -9.9 | 0 | 0 | 0 | 120.2 | ||||
| 7 | I | 34.6 | Very low | 33.9 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | 175.8 | 148.8 | 99.9 | -91.3 | 151.5 | 0 | 0 | 0 | 111.8 | |||||
| 8 | A | 34.2 | Very low | 34 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 65% | 0.653 | 82% | 0.816 | S | S | * | * | trans | -100.2 | 138.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 9 | I | 30 | Very low | 34 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | 34.4 | 102.1 | 139.9 | -45.6 | 171.6 | 0 | 0 | 0 | 117.8 | ||||
| 10 | V | 35 | Very low | 34.1 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | trans | -137.8 | 130.5 | 134 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 11 | G | 28.7 | Very low | 34.1 | Very low | 72 Ų | 72 | 141.8 Ų | 141.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -113.3 | 121.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | A | 36.9 | Very low | 34.1 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -139.7 | 152.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | N | 32.7 | Very low | 34.1 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -96.4 | 146 | -169.6 | -110.8 | 9.3 | 0 | 0 | 0 | 113.1 | ||||
| 14 | A | 34.4 | Very low | 34.3 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | 81.3 | 151.4 | 144 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 15 | F | 33.7 | Very low | 34.1 | Very low | 206 Ų | 206 | 123.6 Ų | 123.6 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | 73.6 | 136.7 | 169.3 | -72.9 | -75.3 | 0 | 0 | 0 | 120.9 | ||||
| 16 | T | 30.8 | Very low | 34 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -93.5 | 137.4 | -179.3 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 17 | S | 35 | Very low | 33.6 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | 179.9 | 141.3 | 106.3 | -110 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 18 | E | 35.4 | Very low | 33.6 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 50.2 | 95 | 138.2 | -63.8 | 168 | 111.3 | 0 | 0 | 121.1 | ||||
| 19 | S | 33.8 | Very low | 33.4 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | 98.8 | 155.4 | 109.2 | 83.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 20 | I | 37.6 | Very low | 33.8 | Very low | 167 Ų | 167 | 120.1 Ų | 120.1 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 71.5 | 126.7 | 159.7 | -60.1 | 163.3 | 0 | 0 | 0 | 118.3 | ||||
| 21 | G | 33 | Very low | 33.9 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 114.5 | 101.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 22 | G | 32.3 | Very low | 34.2 | Very low | 88 Ų | 88 | 124.5 Ų | 124.5 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | -90.2 | 156.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 23 | G | 36.2 | Very low | 34.2 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -168.9 | 132.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 24 | S | 34.7 | Very low | 34.3 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 166.6 | -165.1 | -61.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 25 | S | 32.5 | Very low | 34.3 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | 76.5 | 104.3 | 145.4 | 54.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 26 | A | 33.4 | Very low | 34.3 | Very low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | 89.6 | 166.8 | 114 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 27 | W | 31.8 | Very low | 34.3 | Very low | 258 Ų | 258 | 126.1 Ų | 126.1 | 98% | 0.977 | 81% | 0.807 | S | S | * | * | trans | 85.9 | 122.3 | 170.6 | -55.6 | 95.1 | 0 | 0 | 0 | 119.2 | ||||
| 28 | G | 32.9 | Very low | 34.4 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 119.3 | 93.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 29 | S | 30.4 | Very low | 34.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -110.9 | -177.8 | 149.5 | -42.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 30 | P | 38.8 | Very low | 34.3 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | cis | -132.3 | 179.2 | -11.2 | 41.7 | -26.4 | 0 | 0 | 0 | 113.8 | ||||
| 31 | S | 37.6 | Very low | 33.9 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -175.6 | 162.3 | 138.2 | 36.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 32 | Q | 34.4 | Very low | 33.8 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -111.4 | -166.3 | -158 | -143.5 | -159.3 | -9.7 | 0 | 0 | 111.9 | ||||
| 33 | P | 36.8 | Very low | 33.7 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | -120.3 | 172.9 | -111.6 | 42.3 | -27.2 | 0 | 0 | 0 | 115.9 | |||||
| 34 | S | 35.6 | Very low | 33.4 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -145.5 | 160.9 | 158.1 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 35 | K | 33 | Very low | 33.3 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 96% | 0.957 | 82% | 0.82 | S | S | * | * | trans | -100.5 | 137.2 | -167.4 | -63.4 | 176.8 | -179.6 | 176.7 | 0 | 112.5 | ||||
| 36 | G | 34 | Very low | 33.2 | Very low | 81 Ų | 81 | 139.5 Ų | 139.5 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | -153.6 | 115.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 37 | H | 31 | Very low | 33 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 73% | 0.731 | 82% | 0.818 | S | S | * | * | trans | -122.2 | 115.3 | -171.7 | 164.1 | -77.8 | 0 | 0 | 0 | 110.8 | ||||
| 38 | V | 36.1 | Very low | 33.1 | Very low | 149 Ų | 149 | 138 Ų | 138 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | trans | -126.5 | 133.1 | 162.5 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 39 | K | 32.2 | Very low | 33.2 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 67% | 0.674 | 82% | 0.817 | S | S | * | * | trans | -100.7 | 115.3 | -160.5 | -177.3 | 168.1 | 178.9 | 170.6 | 0 | 111.6 | ||||
| 40 | S | 35.1 | Very low | 33 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 137.8 | 162.4 | 42.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 41 | A | 29.5 | Very low | 32.8 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | trans | -81.4 | 131.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | W | 30.5 | Very low | 32.4 | Very low | 262 Ų | 262 | 138.6 Ų | 138.6 | 99% | 0.992 | 81% | 0.808 | S | S | * | * | trans | -168.1 | 55.9 | 157.2 | -114.8 | 47.1 | 0 | 0 | 0 | 109.2 | ||||
| 43 | D | 30.2 | Very low | 32.3 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -151.9 | 94.6 | -177.9 | -108.1 | -37.7 | 0 | 0 | 0 | 109.8 | ||||
| 44 | N | 31.7 | Very low | 32 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -167.8 | 69.7 | 162.3 | -127.1 | -21.6 | 0 | 0 | 0 | 113.9 | ||||
| 45 | A | 31 | Very low | 32.1 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -151.4 | 13.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G47 | A45-G47 PolarHBondContact O-N 3.46Å; A45-G47 VanDerWaalsContact O-N 3.12Å | ||
| 46 | S | 32 | Very low | 32.2 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -88.6 | 69.1 | -171.7 | 31 | 0 | 0 | 0 | 0 | 112.4 | W48 | S46-W48 PolarHBondContact O-N 3.02Š| ||
| 47 | G | 29.3 | Very low | 31.9 | Very low | 68 Ų | 68 | 136.9 Ų | 136.9 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 37.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | A45 | A45-G47 PolarHBondContact O-N 3.46Å; A45-G47 VanDerWaalsContact O-N 3.12Å | ||
| 48 | W | 32.2 | Very low | 31.9 | Very low | 243 Ų | 243 | 134.9 Ų | 134.9 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | trans | -135 | 122.2 | 178.8 | -75.3 | 80.6 | 0 | 0 | 0 | 111.3 | S46 A50 | S46-W48 PolarHBondContact O-N 3.02Å; W48-A50 PolarHBondContact O-N 3.05Å | ||
| 49 | P | 35.4 | Very low | 31.7 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -80.1 | 117.2 | 174.4 | 31.3 | -31.6 | 0 | 0 | 0 | 110.9 | ||||
| 50 | A | 27.7 | Very low | 31.6 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -113 | 172 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W48 | W48-A50 PolarHBondContact O-N 3.05Š| ||
| 51 | I | 34.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | 73.4 | 125.4 | -169.4 | -45.5 | 162.2 | 0 | 0 | 0 | 111 | ||||
| 52 | G | 27.6 | Very low | 31.5 | Very low | 72 Ų | 72 | 137.8 Ų | 137.8 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | cis | 117.2 | 65.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 53 | A | 33.1 | Very low | 31.6 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -146.4 | 123.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 54 | T | 30.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 120.5 | 176.1 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 55 | P | 37.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 149 | 159.2 | -8.7 | 27.2 | 0 | 0 | 0 | 110.5 | ||
| 56 | T | 35.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88 | 166.3 | -177.2 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 57 | E | 26.9 | Very low | 31.7 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 142.1 | 171.9 | -57.3 | 167.6 | 109 | 0 | 0 | 112.9 | ||
| 58 | S | 32.5 | Very low | 31.6 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -174.9 | 103.3 | 142.7 | -81.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 59 | D | 30 | Very low | 31.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 66% | 0.658 | 80% | 0.8 | S | S | * | * | 81.7 | 158.8 | 124.8 | -146.8 | 3.1 | 0 | 0 | 0 | 121.6 | |||||
| 60 | W | 31.4 | Very low | 31.7 | Very low | 212 Ų | 212 | 134.3 Ų | 134.3 | 80% | 0.803 | 79% | 0.791 | S | S | * | * | trans | 78.8 | 65.5 | 170 | -55.8 | 95.9 | 0 | 0 | 0 | 121.9 | ||||
| 61 | S | 31.1 | Very low | 32 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 27.9 | 133.2 | 121.2 | -54.2 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 62 | P | 31.6 | Very low | 31.9 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -84.6 | 160 | 173 | 36.2 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 63 | L | 31.2 | Very low | 32.3 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -138.1 | 141 | 174.4 | -147.9 | 80.4 | 0 | 0 | 0 | 112.7 | ||||
| 64 | A | 28.1 | Very low | 32.2 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -102.2 | 158.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 65 | K | 33.2 | Very low | 32.3 | Very low | 196 Ų | 196 | 132 Ų | 132 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -160.1 | 98 | 162.4 | -100.2 | 157.9 | -175.2 | 175.4 | 0 | 108.2 | ||||
| 66 | T | 31.9 | Very low | 32 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 80% | 0.795 | S | S | * | * | 72.1 | 107.4 | 74.9 | 64.2 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 67 | N | 33.7 | Very low | 31.9 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | 170.3 | 101 | 152.2 | -87.7 | -12.3 | 0 | 0 | 0 | 105.7 | ||||
| 68 | S | 28.7 | Very low | 31.9 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | cis | 87.9 | 142 | 37.8 | -157.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 69 | I | 35 | Very low | 31.9 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 76.7 | 125.4 | -179.3 | -53 | 174 | 0 | 0 | 0 | 114.8 | ||||
| 70 | D | 33.6 | Very low | 32 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 81% | 0.808 | S | S | * | * | cis | -161.9 | 174.5 | -25.3 | -130.1 | -60.6 | 0 | 0 | 0 | 113.9 | ||||
| 71 | T | 34.4 | Very low | 31.9 | Very low | 124 Ų | 124 | 136 Ų | 136 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | trans | -29.7 | 160.5 | 167 | 36.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 72 | A | 33.6 | Very low | 31.9 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 66% | 0.661 | 82% | 0.816 | S | S | * | * | cis | -164.1 | 165 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 73 | S | 34.2 | Very low | 31.8 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | 64.2 | 140.3 | 159.4 | 68 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 74 | G | 32.1 | Very low | 31.8 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | 163.8 | 104.3 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 75 | A | 33.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 144 Ų | 144 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -159.7 | 150.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | N | 29.7 | Very low | 31.7 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -93 | 126.1 | -172.4 | -62.4 | -31 | 0 | 0 | 0 | 113.3 | ||||
| 77 | V | 33.8 | Very low | 31.4 | Very low | 147 Ų | 147 | 144 Ų | 144 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -142.4 | 143.8 | 150.5 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 78 | W | 27.5 | Very low | 31.3 | Very low | 239 Ų | 239 | 142.2 Ų | 142.2 | 91% | 0.905 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 119 | -172.1 | -161.2 | -55.1 | 0 | 0 | 0 | 111.2 | ||||
| 79 | S | 31.9 | Very low | 31.3 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -167 | 93.1 | 171.1 | -83.2 | 0 | 0 | 0 | 0 | 112.9 | Q81 | S79-Q81 PolarHBondContact O-N 2.79Š| ||
| 80 | S | 32 | Very low | 31.2 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -87.5 | 80 | 179.1 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 81 | Q | 29.8 | Very low | 31 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -88.3 | 103.2 | 165.2 | -176.3 | 178.6 | 80.8 | 0 | 0 | 109.6 | S79 | S79-Q81 PolarHBondContact O-N 2.79Š| ||
| 82 | S | 30.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -105.4 | 116.1 | 174.4 | -168.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 83 | R | 29.9 | Very low | 30.6 | Very low | 211 Ų | 211 | 145.9 Ų | 145.9 | 80% | 0.796 | 83% | 0.825 | S | S | * | * | trans | -87.9 | 107.7 | 174 | 175.4 | -162.7 | -87.4 | -156.2 | -5.2 | 109.3 | ||||
| 84 | M | 31.5 | Very low | 30.4 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -102.9 | 135.2 | 152.3 | -73.9 | -66 | -170.5 | 0 | 0 | 108.6 | ||||
| 85 | Q | 28.2 | Very low | 30.4 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -91.5 | 122.4 | 166.9 | -70 | 178 | -69.9 | 0 | 0 | 108.1 | ||||
| 86 | E | 30.1 | Very low | 30.4 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -136.4 | 128.3 | 163.5 | -166.5 | 159.3 | -136.8 | 0 | 0 | 109.8 | V88 | E86-V88 PolarHBondContact O-N 2.78Å; E86-V88 VanDerWaalsContact O-N 3.1Å | ||
| 87 | T | 26.1 | Very low | 30.7 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -88.6 | 78 | -166.9 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 88 | V | 30.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 142 Ų | 142 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -98.3 | 116.6 | 171.6 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | E86 | E86-V88 PolarHBondContact O-N 2.78Å; E86-V88 VanDerWaalsContact O-N 3.1Å | ||
| 89 | M | 29.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | trans | -76.1 | 126.5 | -177.2 | -58.7 | -164.2 | 79.2 | 0 | 0 | 111.2 | I91 | M89-I91 PolarHBondContact O-N 3.49Š| ||
| 90 | P | 31.4 | Very low | 31.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -70.8 | 115.9 | 168.6 | 28.9 | -31.9 | 0 | 0 | 0 | 109 | V92 | P90-V92 PolarHBondContact O-N 2.76Å; P90-V92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | I | 29.8 | Very low | 31.7 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 111.2 | 166.9 | -65.1 | 177 | 0 | 0 | 0 | 106.8 | M89 S93 | M89-I91 PolarHBondContact O-N 3.49Å; I91-S93 PolarHBondContact O-N 3.42Å; I91-S93 VanDerWaalsContact O-N 3.13Å | ||
| 92 | V | 31 | Very low | 31.8 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | -68.1 | 110.6 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | P90 S94 | P90-V92 PolarHBondContact O-N 2.76Å; P90-V92 VanDerWaalsContact O-N 3.11Å; V92-S94 VanDerWaalsContact C-N 3.3Å; V92-S94 PolarHBondContact O-N 3.44Å | ||
| 93 | S | 29.7 | Very low | 31.8 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -66.7 | 90 | 168 | -66.4 | 0 | 0 | 0 | 0 | 109.4 | I91 S95 | I91-S93 PolarHBondContact O-N 3.42Å; I91-S93 VanDerWaalsContact O-N 3.13Å; S93-S95 PolarHBondContact O-N 3.28Å | ||
| 94 | S | 30.4 | Very low | 32.2 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -59.1 | 123.9 | -178.8 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | V92 | V92-S94 VanDerWaalsContact C-N 3.3Å; V92-S94 PolarHBondContact O-N 3.44Å | ||
| 95 | S | 30.9 | Very low | 32.1 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 53% | 0.531 | 75% | 0.753 | S | S | . | * | trans | -59.5 | 142.6 | 174 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | S93 S97 | S93-S95 PolarHBondContact O-N 3.28Å; S95-S97 PolarHBondContact O-N 3.33Å; S95-S97 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact OG-N 3.17Å; S95-S97 PolarHBondContact OG-OG 3.46Å | ||
| 96 | W | 32.6 | Very low | 32.2 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -64.4 | -11 | 177.1 | -82.9 | 36.1 | 0 | 0 | 0 | 113.9 | D98 V99 E466 | W96-D98 PolarHBondContact O-N 3.32Å; W96-D98 VanDerWaalsContact O-N 3.17Å; W96-V99 PolarHBondContact O-N 3.45Å; W96-E466 HydrophobicContact CH2-CG 4.1Å; W96-E466 WeakPolarHBondContact CH2-OE2 3.49Å; W96-E466 HydrophobicContact CZ2-CG 4.25Å |
| 97 | S | 37.3 | Very low | 32.5 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -57 | -27.3 | 178.7 | -48 | 0 | 0 | 0 | 0 | 114.9 | S95 | S95-S97 PolarHBondContact O-N 3.33Å; S95-S97 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact OG-N 3.17Å; S95-S97 PolarHBondContact OG-OG 3.46Å |
| 98 | D | 34.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -85.6 | -17.2 | -175.6 | -91.4 | -56.4 | 0 | 0 | 0 | 114.9 | W96 | W96-D98 PolarHBondContact O-N 3.32Å; W96-D98 VanDerWaalsContact O-N 3.17Å |
| 99 | V | 38 | Very low | 32.8 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -73.8 | -32 | -176.1 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | W96 R101 | W96-V99 PolarHBondContact O-N 3.45Å; V99-R101 PolarHBondContact O-N 3.38Å; V99-R101 VanDerWaalsContact O-N 3.08Å |
| 100 | A | 37 | Very low | 32.8 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -71.2 | 0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 101 | R | 35.7 | Very low | 32.9 | Very low | 225 Ų | 225 | 125.8 Ų | 125.8 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -121.8 | 8.8 | -174.4 | -63.7 | -169.5 | 179.9 | -155 | -0 | 115.7 | V99 | V99-R101 PolarHBondContact O-N 3.38Å; V99-R101 VanDerWaalsContact O-N 3.08Å |
| 102 | K | 33.3 | Very low | 33.1 | Very low | 191 Ų | 191 | 125 Ų | 125 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | trans | -112.5 | 74.9 | 177 | -75.3 | 177.9 | 178.9 | 167.5 | 0 | 112.2 | ||||
| 103 | G | 29.9 | Very low | 32.9 | Very low | 73 Ų | 73 | 124.8 Ų | 124.8 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -139.7 | 26 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 104 | V | 37.2 | Very low | 33.2 | Very low | 143 Ų | 143 | 127 Ų | 127 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -132 | 115.2 | 179.3 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | S106 | V104-S106 PolarHBondContact O-N 3.39Š| ||
| 105 | S | 31.4 | Very low | 33.3 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 118.6 | -179.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 106 | S | 29.7 | Very low | 33.4 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 118.4 | 167.8 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | V104 | V104-S106 PolarHBondContact O-N 3.39Š|
| 107 | V | 35.6 | Very low | 33.3 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 128.3 | 170.4 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | ||
| 108 | S | 27.2 | Very low | 33 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -104.5 | 149.6 | 179.9 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 109 | S | 36 | Very low | 33 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -147.1 | 146.4 | 159.2 | 56.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 110 | H | 29.8 | Very low | 32.8 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | -96.8 | 149.8 | -178.1 | -76.3 | 26.3 | 0 | 0 | 0 | 111.1 | ||||
| 111 | G | 32.9 | Very low | 32.8 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -160.1 | 57.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 112 | V | 34.7 | Very low | 32.6 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | trans | 11.9 | 127.5 | 162.5 | -165.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 113 | S | 27.8 | Very low | 32.4 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -86.8 | 155.9 | 177.8 | -34.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 114 | M | 34.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -152.6 | 134.7 | 148.6 | -79.6 | -148.6 | -176 | 0 | 0 | 113.6 | ||||
| 115 | L | 32.5 | Very low | 32.5 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 42.8 | 141 | 134.5 | -57.8 | 174.9 | 0 | 0 | 0 | 120.3 | ||||
| 116 | R | 32.7 | Very low | 32.7 | Very low | 217 Ų | 217 | 135.5 Ų | 135.5 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | cis | -161.5 | 136 | 23.2 | -118 | 171.3 | 179.5 | -156.3 | 3 | 108.4 | ||||
| 117 | R | 30.9 | Very low | 32.8 | Very low | 238 Ų | 238 | 134 Ų | 134 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | 75.5 | 120.5 | 89 | -175.8 | -172.7 | -93.7 | -131.1 | -0.4 | 117.9 | |||||
| 118 | G | 32.7 | Very low | 32.7 | Very low | 64 Ų | 64 | 131 Ų | 131 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | 132.7 | 109.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 119 | S | 33.3 | Very low | 32.8 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 94% | 0.944 | 81% | 0.805 | S | S | * | * | 67.5 | 125.2 | 65 | -54.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 120 | G | 33.4 | Very low | 32.7 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | cis | -167.1 | -159.9 | -0 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 121 | S | 37.8 | Very low | 32.8 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -178.1 | 135.6 | -8.3 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 122 | N | 31.3 | Very low | 32.6 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | 55.5 | 173.8 | 160.7 | -58.9 | 12.4 | 0 | 0 | 0 | 117.3 | ||||
| 123 | F | 30.3 | Very low | 32.6 | Very low | 174 Ų | 174 | 126.6 Ų | 126.6 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | cis | -164.6 | 164.5 | 4.2 | -145.8 | -143.1 | 0 | 0 | 0 | 108 | ||||
| 124 | D | 31 | Very low | 33 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | cis | -157.5 | 167.2 | -45.6 | -114.1 | 46.9 | 0 | 0 | 0 | 109.5 | ||||
| 125 | P | 37.6 | Very low | 33.1 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | trans | -107.6 | 151.9 | -162.3 | 38.9 | -33.8 | 0 | 0 | 0 | 117.2 | ||||
| 126 | T | 36.2 | Very low | 33.1 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | trans | -150.9 | 136.9 | 173.6 | 43.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 127 | G | 31.3 | Very low | 33.2 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | 76.2 | 146.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 128 | G | 32.6 | Very low | 33.3 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | cis | -168.5 | 172.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 129 | T | 28.7 | Very low | 33.3 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | trans | -132.3 | 176.5 | -161.4 | 54.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 130 | T | 34 | Very low | 33.5 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | 86.7 | 156.5 | 166.8 | 74.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 131 | S | 32.5 | Very low | 33.5 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | -162.6 | 169.8 | -37.3 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 132 | W | 28.8 | Very low | 34 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | trans | -84.1 | 179.9 | -170.2 | -85.2 | 52.3 | 0 | 0 | 0 | 115.1 | Q708 Q709 Q710 | W132-Q708 VanDerWaalsContact C-NE2 3.29Å; W132-Q708 VanDerWaalsContact O-CA 3.28Å; W132-Q708 WeakPolarHBondContact O-CA 3.45Å; W132-Q708 WeakPolarHBondContact O-CB 3.43Å; W132-Q708 WeakPolarHBondContact O-CG 3.38Å; W132-Q708 PolarHBondContact O-NE2 3.25Å; W132-Q709 CarbonylContact C-O 3.28Å; W132-Q709 VanDerWaalsContact C-O 3.28Å; W132-Q709 WeakPolarHBondContact CA-O 3.44Å; W132-Q710 HydrophobicContact CD2-CG 3.52Å; W132-Q710 HydrophobicContact CE3-CG 3.62Å; W132-Q710 HydrophobicContact CG-CG 3.99Å; W132-Q710 HydrophobicContact CH2-CG 4.32Å; W132-Q710 HydrophobicContact CZ2-CG 4.21Å; W132-Q710 HydrophobicContact CZ3-CG 4.03Å; W132-Q710 VanDerWaalsContact CZ3-NE2 3.27Å; W132-Q710 VanDerWaalsContact CZ3-OE1 3.29Å | ||
| 133 | G | 34.1 | Very low | 34.3 | Very low | 2 Ų | 2 | 125.5 Ų | 125.5 | 2% | 0.021 | 73% | 0.729 | C | S | . | * | cis | 173.1 | -141.7 | 16.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q708 Q709 | G133-Q708 VanDerWaalsContact N-CB 3.34Å; G133-Q708 CarbonylContact O-C 3.03Å; G133-Q708 WeakPolarHBondContact O-CB 3.44Å; G133-Q709 VanDerWaalsContact N-N 3.14Å; G133-Q709 PolarHBondContact N-O 3.41Å; G133-Q709 VanDerWaalsContact O-CA 3.29Å; G133-Q709 WeakPolarHBondContact O-CA 3.41Å; G133-Q709 PolarHBondContact O-N 3.22Å | ||
| 134 | K | 36.8 | Very low | 34.5 | Very low | 136 Ų | 136 | 123.9 Ų | 123.9 | 59% | 0.591 | 73% | 0.733 | S | S | * | * | trans | 75.4 | 150 | 165.9 | -78.4 | -170.4 | -178 | 178.7 | 0 | 120.1 | Q709 | K134-Q709 PolarHBondContact O-NE2 3.15Å; K134-Q709 VanDerWaalsContact O-NE2 3.17Å | ||
| 135 | P | 36.4 | Very low | 34.5 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | -137.3 | -178.5 | -122.7 | 44.7 | -28.5 | 0 | 0 | 0 | 116.7 | |||||
| 136 | V | 33.7 | Very low | 34.4 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | trans | -126.3 | 142.5 | 157.3 | 174.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 137 | D | 33 | Very low | 34.3 | Very low | 149 Ų | 149 | 120.9 Ų | 120.9 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | trans | -120 | 124.5 | -174 | 177.5 | 16.1 | 0 | 0 | 0 | 109.9 | ||||
| 138 | Q | 33.8 | Very low | 34.4 | Very low | 185 Ų | 185 | 123.7 Ų | 123.7 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | trans | -154.1 | 120.3 | 168.8 | -75.9 | -156.7 | -10.8 | 0 | 0 | 113 | ||||
| 139 | G | 33.1 | Very low | 34.6 | Very low | 72 Ų | 72 | 125.4 Ų | 125.4 | 74% | 0.742 | 72% | 0.724 | S | S | * | * | trans | 75.7 | 95 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 140 | T | 37.1 | Very low | 34.9 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 65% | 0.65 | 72% | 0.72 | S | S | * | * | trans | -92 | 130.3 | 164.3 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | W142 | T140-W142 PolarHBondContact O-N 3.43Š| ||
| 141 | P | 33.3 | Very low | 35 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 80.4 | -167.7 | 33.6 | -37 | 0 | 0 | 0 | 113.8 | ||
| 142 | W | 49.4 | Very low | 35.1 | Very low | 212 Ų | 212 | 122 Ų | 122 | 80% | 0.803 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.6 | 16.9 | 161.9 | 44.4 | -92.8 | 0 | 0 | 0 | 114.4 | T140 V144 | T140-W142 PolarHBondContact O-N 3.43Å; W142-V144 PolarHBondContact O-N 3.44Å |
| 143 | D | 36.2 | Very low | 35.5 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -76.5 | 111.2 | 173.8 | -169.2 | -1.6 | 0 | 0 | 0 | 110.9 | ||||
| 144 | V | 34 | Very low | 35.5 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -140.7 | 67.1 | -178 | -168.4 | 0 | 0 | 0 | 0 | 109.7 | W142 | W142-V144 PolarHBondContact O-N 3.44Š| ||
| 145 | G | 33 | Very low | 35.4 | Very low | 57 Ų | 57 | 129.5 Ų | 129.5 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -124.4 | 75.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 146 | T | 34.5 | Very low | 35.5 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | 42.8 | 124.5 | 148.2 | 52.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 147 | T | 33.5 | Very low | 35.6 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 69 | 151.8 | 144.6 | 60.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 148 | D | 33.9 | Very low | 35.7 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | cis | -149.9 | 163.6 | -0.4 | -160.9 | 5.2 | 0 | 0 | 0 | 112.2 | ||||
| 149 | S | 36.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 67.1 | 154.2 | 160 | 78.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 150 | G | 34.8 | Very low | 36.1 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 175.7 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 151 | V | 37.5 | Very low | 36.1 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 64.3 | 106.8 | 169.7 | -169.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 152 | G | 34.1 | Very low | 36.3 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 86.7 | 160.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 153 | K | 36.6 | Very low | 35.6 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | cis | -150.4 | 131.7 | -5.5 | -86.6 | -168.3 | 177.5 | -179.6 | 0 | 112.6 | ||||
| 154 | M | 35.4 | Very low | 35.7 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | 43.1 | 117.5 | 126.7 | -52.8 | 153.8 | -177.6 | 0 | 0 | 121.6 | |||||
| 155 | S | 34.4 | Very low | 35.6 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | 148.3 | 113.8 | 124.4 | -156.6 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 156 | M | 37.7 | Very low | 35.6 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | 90.8 | 106.9 | 35.8 | -166.1 | 173.8 | -166.7 | 0 | 0 | 113.9 | ||||
| 157 | D | 36.9 | Very low | 35.7 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -180 | 119.8 | 143.9 | -101.4 | -36.7 | 0 | 0 | 0 | 108.4 | ||||
| 158 | S | 35.1 | Very low | 35.5 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | 91 | 137.5 | 79.6 | -71.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 159 | A | 37.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | cis | -165.5 | 167.9 | -11.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 160 | G | 37.1 | Very low | 35 | Very low | 65 Ų | 65 | 119 Ų | 119 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 135.6 | 98.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 161 | N | 38 | Very low | 34.8 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | 33.7 | 141.9 | 125.4 | -59.2 | 58.8 | 0 | 0 | 0 | 120.4 | |||||
| 162 | D | 36.3 | Very low | 34.3 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | -166.8 | 172 | 2.6 | -114.8 | -26.6 | 0 | 0 | 0 | 112.7 | ||||
| 163 | S | 36 | Very low | 34 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 118.1 | 156.2 | -62.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 164 | A | 36.2 | Very low | 33.7 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 91.4 | 90.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 165 | L | 33 | Very low | 33.3 | Very low | 164 Ų | 164 | 124 Ų | 124 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | 57.5 | 127 | 124.8 | -56.9 | 164 | 0 | 0 | 0 | 118.8 | |||||
| 166 | S | 33.4 | Very low | 33 | Very low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | cis | -165.4 | 156 | 7.3 | -107.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 167 | T | 36.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 121 Ų | 121 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 59.6 | 94.4 | 150.6 | -52 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 168 | A | 29.7 | Very low | 32.2 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | 54.4 | 137.2 | 57.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 169 | G | 30.4 | Very low | 32 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | -178.1 | 175.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 170 | T | 29.3 | Very low | 31.6 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -28.6 | 135.4 | 159 | 49.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 171 | S | 29.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | -179.7 | 150.5 | 103.6 | 45.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 172 | W | 26.4 | Very low | 30.7 | Very low | 250 Ų | 250 | 132.7 Ų | 132.7 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | trans | -93.3 | 131.8 | 154.9 | -76.5 | 40.2 | 0 | 0 | 0 | 107.3 | ||||
| 173 | N | 28.5 | Very low | 30.5 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -168.4 | 155.4 | 161.9 | -114.2 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 174 | S | 30.1 | Very low | 30.1 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 56 | 107.5 | 167.3 | -53.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 175 | V | 26.6 | Very low | 30 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | cis | 59.7 | 125.1 | 35.8 | -171.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 176 | S | 28.1 | Very low | 29.7 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | trans | 79.5 | 148.9 | 167.4 | 78.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 177 | N | 29.7 | Very low | 29.7 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | trans | 72.6 | 119.1 | 167 | -67.2 | -35 | 0 | 0 | 0 | 117 | ||||
| 178 | R | 28.5 | Very low | 29.4 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | 76.7 | 146.1 | 84.6 | -69.8 | 177.5 | -176.7 | -118.5 | 11.9 | 112.3 | |||||
| 179 | E | 30.4 | Very low | 29.4 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 60% | 0.603 | 78% | 0.779 | S | S | * | * | cis | -166.1 | 137.9 | -6 | -111.7 | 155 | -172.6 | 0 | 0 | 108.8 | ||||
| 180 | N | 29.4 | Very low | 29.5 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 53.5 | -173.6 | 151.3 | -66.2 | -18.4 | 0 | 0 | 0 | 120.4 | ||||
| 181 | A | 30.9 | Very low | 29.5 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 59.2 | 98.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 182 | W | 26.5 | Very low | 29.6 | Very low | 247 Ų | 247 | 131.3 Ų | 131.3 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | 61 | 115.8 | 75.7 | -65.5 | 28.8 | 0 | 0 | 0 | 114.3 | |||||
| 183 | S | 31.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | -175.9 | 143.1 | 109.2 | -80.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 184 | S | 27.6 | Very low | 30 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -66.5 | 137.3 | 174.4 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 185 | G | 33.3 | Very low | 30.1 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | -108.9 | 114.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 186 | S | 27.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -107.4 | 144.3 | -177.8 | 101 | 0 | 0 | 0 | 0 | 112 | ||||
| 187 | G | 33.3 | Very low | 30.7 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 171.4 | 115.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 188 | A | 29.9 | Very low | 30.7 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | cis | 159.3 | 137.8 | -24.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 189 | S | 29.5 | Very low | 30.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 68.5 | 152.8 | -179.4 | 84.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 190 | K | 32.7 | Very low | 30.7 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | cis | -159.4 | 146.1 | 16.8 | -147.7 | 161.1 | -173 | 175.2 | 0 | 112.1 | ||||
| 191 | A | 29.7 | Very low | 30.9 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | 54.4 | 113.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 192 | A | 31.2 | Very low | 31.1 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 78 | 143.5 | 82.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 193 | V | 34.2 | Very low | 31.3 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -135.4 | 139.8 | 28.8 | 173.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 194 | S | 29.8 | Very low | 31.4 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -16 | 130.7 | 155.7 | 169.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 195 | E | 32.5 | Very low | 31.7 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | -144.3 | 128.3 | 107.4 | -151.2 | 162.8 | -133.1 | 0 | 0 | 111.3 | |||||
| 196 | V | 31.5 | Very low | 31.7 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -127.4 | 104.7 | 177 | 173.4 | 0 | 0 | 0 | 0 | 108 | Y198 | V196-Y198 HydrophobicContact CG1-CD2 4.03Š| ||
| 197 | V | 35.5 | Very low | 31.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -94.6 | 98.9 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 198 | Y | 29.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -72.7 | -173.4 | 162.3 | -119.8 | -110 | 0 | 0 | 0 | 109.9 | V196 | V196-Y198 HydrophobicContact CG1-CD2 4.03Š| ||
| 199 | W | 28.3 | Very low | 32 | Very low | 228 Ų | 228 | 146.9 Ų | 146.9 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 68.9 | 141.6 | 179.2 | -14.9 | 105.3 | 0 | 0 | 0 | 113.6 | ||||
| 200 | K | 31.4 | Very low | 32.2 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | -155 | 133.6 | -0.3 | -161.2 | 176.9 | 178.5 | -176.2 | 0 | 109.7 | P202 | K200-P202 WeakPolarHBondContact O-CD 3.37Š| ||
| 201 | T | 32.9 | Very low | 32.1 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -76.6 | 125.6 | 161.5 | 36.7 | 0 | 0 | 0 | 0 | 109.6 | Y203 | T201-Y203 PolarHBondContact O-N 3.06Š| ||
| 202 | P | 34.7 | Very low | 32.3 | Very low | 131 Ų | 131 | 144.6 Ų | 144.6 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | trans | -85.6 | 81.9 | 169.7 | 33.5 | -31.1 | 0 | 0 | 0 | 109.5 | K200 | K200-P202 WeakPolarHBondContact O-CD 3.37Š| ||
| 203 | Y | 32.2 | Very low | 32.5 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 78% | 0.784 | 74% | 0.743 | S | S | * | * | trans | -94 | 117.3 | 166.4 | -146 | -91.3 | 0 | 0 | 0 | 108.9 | T201 | T201-Y203 PolarHBondContact O-N 3.06Š| ||
| 204 | E | 32.8 | Very low | 32.5 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | 61.7 | 162.7 | 172.9 | -66.3 | 179.7 | 110 | 0 | 0 | 119 | ||||
| 205 | K | 33 | Very low | 32.9 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | 73.2 | 110 | 157.7 | -148.2 | 160.2 | -178.3 | 176.1 | 0 | 114.7 | ||||
| 206 | D | 34.7 | Very low | 33 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | cis | -155.5 | 151.6 | 45.1 | -102.3 | -48.8 | 0 | 0 | 0 | 115.4 | ||||
| 207 | Q | 31.5 | Very low | 33.2 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | trans | 44.6 | 90.4 | 138.6 | -60.6 | 166.1 | 58.2 | 0 | 0 | 121.4 | ||||
| 208 | W | 32.3 | Very low | 33 | Very low | 226 Ų | 226 | 138.3 Ų | 138.3 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | -145.3 | 134.8 | 122.5 | -73 | 81.4 | 0 | 0 | 0 | 107.3 | |||||
| 209 | G | 32.8 | Very low | 33.4 | Very low | 50 Ų | 50 | 136.2 Ų | 136.2 | 52% | 0.515 | 72% | 0.716 | S | S | . | * | cis | 162 | 109.2 | -11.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 210 | S | 32.7 | Very low | 33.6 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | 73.1 | 148 | -171.2 | -28 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 211 | S | 32.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -160 | 153.6 | -14.9 | -129.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 212 | M | 33.6 | Very low | 33.6 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | cis | -136.8 | 157.3 | 21.6 | -60.2 | -175.6 | -178.2 | 0 | 0 | 114.2 | Y1013 | M212-Y1013 PolarHBondContact O-N 3.25Š| ||
| 213 | S | 34.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | trans | -84.5 | 173.7 | 164.2 | -162.5 | 0 | 0 | 0 | 0 | 109.8 | D1011 | S213-D1011 WeakPolarHBondContact O-CA 3.28Å; S213-D1011 PolarHBondContact O-N 3.17Å | ||
| 214 | A | 35.3 | Very low | 33.7 | Very low | 29 Ų | 29 | 133.2 Ų | 133.2 | 24% | 0.24 | 72% | 0.721 | C | S | . | * | cis | -127.9 | -118.1 | 7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D1011 Y1013 | A214-D1011 VanDerWaalsContact C-CG 3.5Å; A214-D1011 WeakPolarHBondContact CA-OD1 3.22Å; A214-D1011 WeakPolarHBondContact CB-OD1 3.14Å; A214-D1011 VanDerWaalsContact N-CA 3.34Å; A214-D1011 PolarHBondContact N-OD1 3.33Å; A214-Y1013 WeakPolarHBondContact O-CD2 3.11Å; A214-Y1013 WeakPolarHBondContact O-CE2 2.91Å | ||
| 215 | V | 37 | Very low | 33.6 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 44% | 0.436 | 73% | 0.725 | S | S | . | * | -133.8 | 118.1 | -113.3 | 133 | 0 | 0 | 0 | 0 | 121.4 | D1011 Y1013 | V215-D1011 PolarHBondContact N-OD2 3.37Å; V215-Y1013 HydrophobicContact CG2-CE2 3.91Å | |||
| 216 | R | 34.7 | Very low | 33.7 | Very low | 202 Ų | 202 | 129.5 Ų | 129.5 | 76% | 0.762 | 72% | 0.721 | S | S | * | * | trans | 68.3 | 171.3 | 145.9 | -52 | 171.7 | -163.3 | -160.3 | -0.2 | 118.1 | ||||
| 217 | T | 37.5 | Very low | 33.8 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | cis | -148.4 | 166.9 | 8.1 | -28.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 218 | A | 31.2 | Very low | 34.1 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -89.2 | 145.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 219 | S | 35.6 | Very low | 34.4 | Very low | 128 Ų | 128 | 122 Ų | 122 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | trans | 174 | 156.1 | 130 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 220 | G | 33.2 | Very low | 34.4 | Very low | 78 Ų | 78 | 131.5 Ų | 131.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 106.3 | 129.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 221 | W | 30 | Very low | 34.5 | Very low | 254 Ų | 254 | 130.6 Ų | 130.6 | 96% | 0.962 | 75% | 0.745 | S | S | * | * | trans | -105.3 | 129.1 | 162.8 | -75.9 | 71.7 | 0 | 0 | 0 | 107.7 | ||||
| 222 | E | 34.4 | Very low | 34.6 | Very low | 204 Ų | 204 | 133.2 Ų | 133.2 | 95% | 0.953 | 75% | 0.751 | S | S | * | * | trans | -161.6 | 152.9 | 151.8 | -122.1 | 171.7 | 174.5 | 0 | 0 | 112.5 | ||||
| 223 | E | 33 | Very low | 34.5 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | -154.8 | 153.5 | -169.3 | 171 | -174.4 | 177.5 | 0 | 0 | 106.2 | ||||
| 224 | P | 36.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | cis | -129.5 | -158.7 | -11.9 | 31.4 | -8.9 | 0 | 0 | 0 | 113.5 | ||||
| 225 | Q | 31.1 | Very low | 34.5 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 101.2 | 147.8 | 136.9 | -95.4 | -177.4 | 11.7 | 0 | 0 | 123.5 | ||||
| 226 | A | 34.2 | Very low | 34.4 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 70.2 | 126.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 227 | V | 36.3 | Very low | 34.5 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | cis | 81.8 | 139.9 | 36.2 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 228 | P | 39.4 | Very low | 34.3 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | cis | -131.7 | -176.6 | 16.4 | 33.5 | -11.8 | 0 | 0 | 0 | 117.5 | ||||
| 229 | G | 37.2 | Very low | 34.6 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -163.8 | 1.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 230 | R | 34.4 | Very low | 34.4 | Very low | 250 Ų | 250 | 140.7 Ų | 140.7 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | 62.6 | 153.6 | 176.5 | -69.7 | 179.5 | 169.4 | -173.1 | -4.2 | 117.8 | ||||
| 231 | S | 34.5 | Very low | 34.2 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | cis | -173.3 | 149.2 | -24.6 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 232 | N | 33.8 | Very low | 34.5 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 146 | 172 | -48 | -15.6 | 0 | 0 | 0 | 116.7 | ||||
| 233 | A | 31.4 | Very low | 34.5 | Very low | 78 Ų | 78 | 133.7 Ų | 133.7 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | cis | -168.4 | 163.8 | -23.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 234 | W | 33 | Very low | 34.4 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 81.1 | 96.2 | 167.2 | -61.5 | 90.3 | 0 | 0 | 0 | 121.7 | ||||
| 235 | I | 36.2 | Very low | 34.4 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | 67.4 | 130.8 | 130.7 | -57.3 | -171.1 | 0 | 0 | 0 | 122.5 | ||||
| 236 | S | 35.6 | Very low | 34.4 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 57% | 0.566 | 76% | 0.761 | S | S | * | * | trans | -55.4 | -177.1 | 167 | -67.2 | 0 | 0 | 0 | 0 | 116.3 | E238 | S236-E238 WeakPolarHBondContact CB-OE1 3.46Å; S236-E238 PolarHBondContact OG-OE1 2.97Å | ||
| 237 | P | 35.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | cis | -118.6 | 139.4 | -0.7 | 11.7 | 14.1 | 0 | 0 | 0 | 114.3 | ||||
| 238 | E | 34.9 | Very low | 34.5 | Very low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 76.2 | 90.6 | 79.2 | -66.9 | 163.1 | -135.1 | 0 | 0 | 114.9 | S236 | S236-E238 WeakPolarHBondContact CB-OE1 3.46Å; S236-E238 PolarHBondContact OG-OE1 2.97Å | |||
| 239 | T | 36.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -79.6 | 166.3 | 138.4 | 54.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 240 | P | 31.8 | Very low | 34.4 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | -144.1 | 123.3 | 115.3 | 33.6 | -18.7 | 0 | 0 | 0 | 114.3 | N242 | P240-N242 PolarHBondContact O-N 3.23Š| |||
| 241 | S | 29.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -79.8 | 93.7 | 154.9 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 242 | N | 35.1 | Very low | 34.2 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -96.4 | 115.2 | 173.2 | -87 | -12.5 | 0 | 0 | 0 | 111 | P240 | P240-N242 PolarHBondContact O-N 3.23Š| ||
| 243 | V | 35.5 | Very low | 34.2 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -64.3 | 134.8 | 162.7 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 244 | W | 30.5 | Very low | 34.3 | Very low | 241 Ų | 241 | 138.2 Ų | 138.2 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | trans | -128 | 147.6 | 166.3 | -138.6 | 58.8 | 0 | 0 | 0 | 111.3 | ||||
| 245 | T | 35.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -104 | 134.1 | -161.8 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 246 | G | 31.2 | Very low | 34.3 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 99.6 | 152.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 247 | P | 32.5 | Very low | 34.2 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -68.8 | 142.9 | 174.1 | 30.4 | -34.1 | 0 | 0 | 0 | 110 | V249 | P247-V249 PolarHBondContact O-N 2.92Š| ||
| 248 | P | 39.8 | Very low | 34.2 | Very low | 132 Ų | 132 | 145 Ų | 145 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -65.6 | 109.3 | 178.3 | 26.4 | -33.4 | 0 | 0 | 0 | 110.4 | ||||
| 249 | V | 42.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 145.7 | 167.1 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | P247 | P247-V249 PolarHBondContact O-N 2.92Š| ||
| 250 | Q | 33.7 | Very low | 34.2 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -44.2 | 134.7 | -175 | -60.4 | 160.7 | -67.7 | 0 | 0 | 114.5 | ||||
| 251 | Q | 33.8 | Very low | 34.3 | Very low | 190 Ų | 190 | 144.6 Ų | 144.6 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -143.5 | 146.7 | 142.8 | -109.3 | 173.4 | 7.9 | 0 | 0 | 109.5 | ||||
| 252 | D | 30.7 | Very low | 35 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -78.3 | 142.6 | -154.7 | -67.8 | -86.1 | 0 | 0 | 0 | 116.8 | ||||
| 253 | S | 33.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -152.3 | 128.7 | 137.8 | -79 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 254 | S | 32.6 | Very low | 35.2 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -93.9 | 169.4 | -153.4 | 60.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 255 | M | 30.8 | Very low | 35.7 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 79.3 | 59 | 174.2 | -52.3 | -166.7 | -63.8 | 0 | 0 | 118.2 | ||||
| 256 | V | 39.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -119.5 | 104.5 | 150.7 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | N258 | V256-N258 PolarHBondContact O-N 3.22Š| ||
| 257 | W | 32.9 | Very low | 35.9 | Very low | 265 Ų | 265 | 147.4 Ų | 147.4 | 100% | 1.004 | 80% | 0.797 | S | S | * | * | trans | -86 | 85.7 | -179.7 | -107.9 | 53 | 0 | 0 | 0 | 111.3 | ||||
| 258 | N | 35.2 | Very low | 36.1 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -116 | 85.5 | 172.4 | -91.8 | -23 | 0 | 0 | 0 | 111.1 | V256 | V256-N258 PolarHBondContact O-N 3.22Š| ||
| 259 | N | 38.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | trans | -154 | 97.1 | 164.4 | -173.2 | 1.4 | 0 | 0 | 0 | 112.6 | ||||
| 260 | P | 34.3 | Very low | 35.6 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -81.1 | 114.4 | 165.5 | 32 | -29.8 | 0 | 0 | 0 | 110.9 | ||||
| 261 | Y | 34.1 | Very low | 35.7 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | 77.2 | 71 | 169.2 | -52.8 | -79.3 | 0 | 0 | 0 | 120 | ||||
| 262 | P | 42.5 | Very low | 35.9 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | trans | -71 | 138.8 | 146.2 | 31.9 | -31.7 | 0 | 0 | 0 | 110.7 | ||||
| 263 | K | 40.9 | Very low | 35.9 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -79.6 | 154.2 | -176.4 | -68.4 | 177.6 | -179.1 | 174 | 0 | 112.8 | S265 | K263-S265 PolarHBondContact O-N 3.29Š| ||
| 264 | K | 35.7 | Very low | 36.3 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -68.4 | 86.6 | -174.5 | -64.3 | 179.8 | 175.6 | -176.7 | 0 | 114.1 | E383 | K264-E383 IonicContact NZ-OE1 2.71Å; K264-E383 PolarHBondContact NZ-OE1 3.33Å; K264-E383 IonicContact NZ-OE2 3.85Å; K264-E383 PolarHBondContact NZ-OE2 3.22Å |
| 265 | S | 39 | Very low | 36.4 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -172.1 | 56.7 | 155.9 | 60.5 | 0 | 0 | 0 | 0 | 114 | K263 | K263-S265 PolarHBondContact O-N 3.29Š| ||
| 266 | A | 37.6 | Very low | 36.6 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -128 | 122.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 267 | M | 34.6 | Very low | 36.5 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -113.3 | 120.5 | -165.4 | -177.7 | 176.9 | 70.1 | 0 | 0 | 111.5 | ||||
| 268 | L | 36 | Very low | 37 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 71% | 0.707 | 74% | 0.741 | S | S | * | * | trans | 41.1 | 90.8 | 161.9 | -76.8 | 162.3 | 0 | 0 | 0 | 116.7 | K270 | L268-K270 HydrophobicContact CD2-CG 4.46Š| ||
| 269 | D | 35.9 | Very low | 37.7 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -73.9 | 148 | 145 | -162.2 | -1.9 | 0 | 0 | 0 | 109.7 | ||||
| 270 | K | 36.2 | Very low | 38.1 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -144.5 | 105.5 | -177 | -88.4 | -165.2 | 173.1 | -171.8 | 0 | 111.5 | L268 | L268-K270 HydrophobicContact CD2-CG 4.46Š| ||
| 271 | G | 34.9 | Very low | 38.4 | Very low | 57 Ų | 57 | 135.2 Ų | 135.2 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | trans | 104 | 158.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 272 | T | 39.8 | Very low | 38.6 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 90% | 0.896 | 74% | 0.742 | S | S | * | * | cis | -145 | 151.3 | -12.6 | 46 | 0 | 0 | 0 | 0 | 106 | ||||
| 273 | G | 30 | Very low | 38.2 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | cis | 149.2 | 69.7 | 9.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 274 | I | 40.7 | Very low | 38.3 | Very low | 156 Ų | 156 | 130 Ų | 130 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -134.8 | 13.8 | -172 | -22.7 | 178.5 | 0 | 0 | 0 | 114.2 | ||
| 275 | W | 36.3 | Very low | 38.7 | Very low | 257 Ų | 257 | 129.5 Ų | 129.5 | 97% | 0.973 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -130.1 | 116.5 | 164.7 | -75.9 | 87.3 | 0 | 0 | 0 | 107.8 | ||
| 276 | G | 33.4 | Very low | 38.8 | Very low | 51 Ų | 51 | 135.3 Ų | 135.3 | 53% | 0.526 | 74% | 0.737 | S | S | . | * | trans | -76.4 | 151 | -164 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 277 | D | 37.6 | Very low | 38.7 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 48% | 0.481 | 74% | 0.741 | S | S | . | * | trans | -52.6 | 120.5 | 167.3 | -177.1 | 25.9 | 0 | 0 | 0 | 110.8 | D279 N280 | D277-D279 PolarHBondContact O-N 2.67Å; D277-N280 HydrophobicContact CB-CB 4.26Å; D277-N280 PolarHBondContact O-N 3.37Å; D277-N280 PolarHBondContact OD2-ND2 3.17Å | ||
| 278 | P | 43.7 | Very low | 39 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -66.4 | -24.6 | -168.7 | 25.8 | -35.5 | 0 | 0 | 0 | 113.7 | N280 | P278-N280 VanDerWaalsContact C-N 3.34Š|
| 279 | D | 50.2 | Low | 39.2 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -88.2 | 1.4 | -177.8 | -61.8 | -44.4 | 0 | 0 | 0 | 113.3 | D277 | D277-D279 PolarHBondContact O-N 2.67Š|
| 280 | N | 46 | Very low | 39 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -123.5 | 12.3 | -172.6 | -96.5 | -55.5 | 0 | 0 | 0 | 115.4 | D277 P278 | D277-N280 HydrophobicContact CB-CB 4.26Å; D277-N280 PolarHBondContact O-N 3.37Å; D277-N280 PolarHBondContact OD2-ND2 3.17Å; P278-N280 VanDerWaalsContact C-N 3.34Å |
| 281 | Q | 40.6 | Very low | 39.1 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | trans | -106.1 | 103.4 | -179.7 | -70.8 | -101.1 | -32.8 | 0 | 0 | 112.2 | ||||
| 282 | G | 40 | Very low | 39.2 | Very low | 64 Ų | 64 | 143.3 Ų | 143.3 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -68.3 | 159 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I284 | G282-I284 PolarHBondContact O-N 3.36Š| ||
| 283 | E | 34 | Very low | 39 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -35.5 | 88.5 | -170.9 | -59.2 | -175.6 | 165 | 0 | 0 | 118.1 | K285 | E283-K285 PolarHBondContact O-N 3.45Å; E283-K285 WeakPolarHBondContact OE2-CE 3.33Å; E283-K285 IonicContact OE2-NZ 2.75Å; E283-K285 PolarHBondContact OE2-NZ 3.21Å | ||
| 284 | I | 41.8 | Very low | 39.3 | Very low | 132 Ų | 132 | 145 Ų | 145 | 68% | 0.677 | 75% | 0.754 | S | S | * | * | trans | -80.3 | 102.4 | 163.5 | -58.4 | -176 | 0 | 0 | 0 | 108.9 | G282 | G282-I284 PolarHBondContact O-N 3.36Š| ||
| 285 | K | 45.4 | Very low | 38.8 | Very low | 154 Ų | 154 | 144 Ų | 144 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 152.1 | -175.7 | -69.8 | -176.2 | 173.2 | 78.3 | 0 | 112.6 | E283 W287 | E283-K285 PolarHBondContact O-N 3.45Å; E283-K285 WeakPolarHBondContact OE2-CE 3.33Å; E283-K285 IonicContact OE2-NZ 2.75Å; E283-K285 PolarHBondContact OE2-NZ 3.21Å; K285-W287 PolarHBondContact O-N 2.95Å | ||
| 286 | R | 40.9 | Very low | 38.8 | Very low | 242 Ų | 242 | 136.5 Ų | 136.5 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -55.8 | 131.3 | -177.4 | -77.7 | 174.8 | 156.8 | -177.5 | -8 | 112.8 | K288 | R286-K288 PolarHBondContact O-N 3.15Š| ||
| 287 | W | 35.8 | Very low | 38.7 | Very low | 250 Ų | 250 | 140.5 Ų | 140.5 | 95% | 0.947 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 113.1 | 163.3 | -50.1 | 68.8 | 0 | 0 | 0 | 108.6 | K285 | K285-W287 PolarHBondContact O-N 2.95Š| ||
| 288 | K | 40.2 | Very low | 38.4 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -109.9 | 133 | 169.2 | -173.9 | 178.4 | 177.9 | -174.3 | 0 | 107.6 | R286 | R286-K288 PolarHBondContact O-N 3.15Š| ||
| 289 | T | 39.6 | Very low | 37.7 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -61.1 | 139.6 | 178.5 | 30.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 290 | N | 32.3 | Very low | 36.8 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -71.3 | 148.2 | -175.4 | -68.2 | -25.7 | 0 | 0 | 0 | 112.4 | ||||
| 291 | A | 37.4 | Very low | 36.1 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -140.6 | 126.3 | 147.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 292 | D | 37.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 58.9 | 77.2 | 154.3 | -45.5 | -28 | 0 | 0 | 0 | 119.2 | ||||
| 293 | D | 35.7 | Very low | 35.3 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | 56.3 | 162.9 | 112.7 | -147.7 | 5.9 | 0 | 0 | 0 | 122.6 | |||||
| 294 | A | 36.5 | Very low | 35.2 | Very low | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 61.7 | 94.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 295 | T | 30.7 | Very low | 34.9 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -82.2 | 175.5 | 154.4 | 70.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 296 | P | 34.8 | Very low | 34.2 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -141.9 | 173.8 | 6.4 | 39.8 | -19.5 | 0 | 0 | 0 | 118.1 | ||||
| 297 | T | 30.8 | Very low | 33.8 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | trans | 67.4 | 145.5 | 146.7 | 43.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 298 | A | 32.1 | Very low | 33.9 | Very low | 92 Ų | 92 | 119.9 Ų | 119.9 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | 75.7 | 83 | 143 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 299 | A | 29 | Very low | 33.7 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | 74.3 | 166.1 | 122.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 300 | A | 31.1 | Very low | 33.5 | Very low | 87 Ų | 87 | 114.8 Ų | 114.8 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | trans | 68.1 | 102.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 301 | S | 31.4 | Very low | 33.8 | Very low | 109 Ų | 109 | 114 Ų | 114 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | 80.8 | 157.8 | 129.7 | -55.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 302 | S | 31.5 | Very low | 33.8 | Very low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 44.5 | 90.7 | 154.7 | 46.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 303 | S | 32.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | 81.2 | 160 | 75.6 | 75.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 304 | S | 32 | Very low | 33.3 | Very low | 101 Ų | 101 | 114.1 Ų | 114.1 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | 77.9 | 102.2 | 155.5 | -152 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 305 | V | 35.2 | Very low | 33 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 66% | 0.655 | 73% | 0.727 | S | S | * | * | 86.3 | 95.8 | 123 | 171 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 306 | Q | 31.9 | Very low | 33.2 | Very low | 111 Ų | 111 | 116.5 Ų | 116.5 | 52% | 0.519 | 72% | 0.724 | S | S | . | * | 80 | 137.8 | 118.6 | -64.1 | -176.2 | 18.1 | 0 | 0 | 125.3 | R693 | Q306-R693 VanDerWaalsContact OE1-NH1 3.08Š| |||
| 307 | R | 31.6 | Very low | 33.3 | Very low | 141 Ų | 141 | 118.6 Ų | 118.6 | 53% | 0.532 | 73% | 0.729 | S | S | . | * | trans | 89 | 109.1 | 140 | -82.2 | 175.5 | -128.6 | -145.3 | 6 | 121.3 | C692 | R307-C692 PolarHBondContact NH1-SG 2.88Š| ||
| 308 | S | 37.9 | Very low | 33.5 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 168.5 | 141.8 | -30.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 309 | P | 35.6 | Very low | 33.7 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 63% | 0.63 | 73% | 0.725 | S | S | * | * | -140.8 | -166 | 119.9 | 39.6 | -25.6 | 0 | 0 | 0 | 114.1 | |||||
| 310 | V | 35.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 118 Ų | 118 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -146.8 | 138.3 | -153.9 | 166.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 311 | L | 39.8 | Very low | 34 | Very low | 148 Ų | 148 | 118.8 Ų | 118.8 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | 59.5 | 161.3 | 163 | -67.5 | 168.6 | 0 | 0 | 0 | 119.8 | ||||
| 312 | P | 35.4 | Very low | 34.2 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | -135.5 | -179.6 | 106.6 | 40.4 | -30.8 | 0 | 0 | 0 | 115.2 | |||||
| 313 | V | 30.6 | Very low | 34.3 | Very low | 128 Ų | 128 | 117.7 Ų | 117.7 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -113.2 | 160.5 | -174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 314 | N | 32.5 | Very low | 34.4 | Very low | 151 Ų | 151 | 117 Ų | 117 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | -125.7 | 153.8 | 163 | -163.2 | 13.1 | 0 | 0 | 0 | 112.2 | ||||
| 315 | N | 31.5 | Very low | 34.5 | Very low | 129 Ų | 129 | 117.3 Ų | 117.3 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | -95.2 | 165.3 | -166.8 | -78.8 | -28.2 | 0 | 0 | 0 | 114.3 | ||||
| 316 | N | 35 | Very low | 34.4 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | -171.9 | 134.6 | 109.8 | -91.1 | -25.6 | 0 | 0 | 0 | 113.7 | |||||
| 317 | N | 35.8 | Very low | 34.6 | Very low | 145 Ų | 145 | 117.7 Ų | 117.7 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 37.6 | 137.2 | 150.1 | -61.1 | -4.9 | 0 | 0 | 0 | 121 | ||||
| 318 | S | 34.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | cis | -165.2 | -173.3 | -6.3 | -79.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 319 | T | 36.7 | Very low | 34.4 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | cis | -158.6 | -176.3 | 14.6 | -27 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | A | 34 | Very low | 34.3 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | trans | 24.2 | 106.8 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 321 | A | 33.4 | Very low | 34 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | 84.8 | 138.9 | 75.7 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 322 | A | 34.4 | Very low | 33.7 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | -164.2 | 163.3 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 323 | A | 34.1 | Very low | 33.5 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | 62.1 | 147.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 324 | S | 35 | Very low | 33.5 | Very low | 98 Ų | 98 | 122.8 Ų | 122.8 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | cis | -168.7 | 144.4 | -14.9 | 48.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 325 | S | 34.3 | Very low | 33.3 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 54.4 | 149.1 | 143.3 | 65.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 326 | V | 32.8 | Very low | 33.3 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | cis | -166.6 | 137.2 | -12.2 | 128.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 327 | S | 35.2 | Very low | 32.9 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 159 | 128.7 | 140.7 | -79.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 328 | K | 33.9 | Very low | 32.7 | Very low | 186 Ų | 186 | 121 Ų | 121 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | 36.5 | 136.4 | 126.7 | -60.9 | 176.8 | 179.9 | 178.3 | 0 | 118.9 | |||||
| 329 | I | 32.3 | Very low | 32.5 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | cis | -163 | 128.3 | 11.2 | -111.9 | 161.6 | 0 | 0 | 0 | 105.5 | ||||
| 330 | T | 32.1 | Very low | 32.2 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | 49 | 128.1 | 93.5 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 331 | S | 30.1 | Very low | 32.1 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -173.9 | 156.3 | -15.2 | 54.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 332 | Q | 32.8 | Very low | 32 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 172.5 | 150.5 | 135.1 | -98.5 | 174 | 6.6 | 0 | 0 | 115.6 | ||||
| 333 | Q | 31.3 | Very low | 31.9 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 57.6 | 118.4 | 149.2 | -76.1 | -170.2 | -37.6 | 0 | 0 | 123.7 | ||||
| 334 | S | 32.4 | Very low | 31.8 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | 78.3 | 98 | 123.7 | -57.2 | 0 | 0 | 0 | 0 | 119.7 | A336 | S334-A336 PolarHBondContact O-N 3.32Š| |||
| 335 | T | 28 | Very low | 31.7 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -33.4 | 119.5 | 150.2 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 336 | A | 31.3 | Very low | 31.7 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -130.7 | 105.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S334 S338 | S334-A336 PolarHBondContact O-N 3.32Å; A336-S338 PolarHBondContact O-N 3.04Å | ||
| 337 | M | 25.6 | Very low | 31.7 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 94% | 0.941 | 79% | 0.788 | S | S | * | * | trans | -79.9 | 101.8 | 176.1 | -73.7 | -174.3 | 170.9 | 0 | 0 | 109.3 | ||||
| 338 | S | 31.4 | Very low | 31.7 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -123.7 | 82.1 | 179 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | A336 V340 | A336-S338 PolarHBondContact O-N 3.04Å; S338-V340 PolarHBondContact O-N 2.91Å | ||
| 339 | S | 32.5 | Very low | 31.9 | Very low | 92 Ų | 92 | 143.7 Ų | 143.7 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | 25.7 | 82.3 | 142.2 | -51.8 | 0 | 0 | 0 | 0 | 119 | W341 | S339-W341 PolarHBondContact O-N 3.2Š| ||
| 340 | V | 30 | Very low | 31.9 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | 16.3 | 65.2 | 133.9 | -159.5 | 0 | 0 | 0 | 0 | 117.9 | S338 | S338-V340 PolarHBondContact O-N 2.91Š| ||
| 341 | W | 31.1 | Very low | 32.1 | Very low | 244 Ų | 244 | 145.2 Ų | 145.2 | 92% | 0.924 | 81% | 0.809 | S | S | * | * | trans | -137.2 | 58.6 | 167.7 | -74.8 | 90.4 | 0 | 0 | 0 | 112 | S339 | S339-W341 PolarHBondContact O-N 3.2Š| ||
| 342 | K | 32.7 | Very low | 32.4 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -142.9 | 84.4 | 165 | -74.5 | -172.4 | 179.4 | 177 | 0 | 109.7 | ||||
| 343 | D | 32.2 | Very low | 32.2 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | 171.6 | 92.5 | 145 | -89 | -19 | 0 | 0 | 0 | 110.5 | ||||
| 344 | S | 31.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -162.3 | 130.7 | 160.7 | -83.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 345 | P | 32.4 | Very low | 32.2 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | trans | -92.6 | 107.3 | -174 | 33.7 | -31.9 | 0 | 0 | 0 | 112.4 | ||||
| 346 | I | 35.4 | Very low | 32.4 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -175.6 | 104.8 | 141.7 | -91.9 | 146.2 | 0 | 0 | 0 | 106 | ||||
| 347 | A | 32.4 | Very low | 32.2 | Very low | 84 Ų | 84 | 144.2 Ų | 144.2 | 69% | 0.694 | 82% | 0.824 | S | S | * | * | trans | -152.3 | 121.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | R349 | A347-R349 PolarHBondContact O-N 1.77Š| ||
| 348 | P | 35.4 | Very low | 32.3 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123 | 177.5 | 27.6 | -32.8 | 0 | 0 | 0 | 109.5 | ||
| 349 | R | 36.7 | Very low | 32.4 | Very low | 229 Ų | 229 | 139.9 Ų | 139.9 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 132.2 | 177.6 | -66.3 | -176.4 | 177.3 | -165.7 | -0.8 | 109.7 | A347 I351 | A347-R349 PolarHBondContact O-N 1.77Å; R349-I351 PolarHBondContact O-N 2.63Å |
| 350 | P | 32.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 116.9 | 173.9 | 27 | -33.3 | 0 | 0 | 0 | 109.9 | K352 | P350-K352 PolarHBondContact O-N 3.4Š|
| 351 | I | 37.3 | Very low | 32.3 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -80.6 | 112.5 | 175.7 | -59.1 | 179.2 | 0 | 0 | 0 | 107.8 | R349 | R349-I351 PolarHBondContact O-N 2.63Š| ||
| 352 | K | 35.3 | Very low | 32.2 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 137.6 | 176.3 | -62.5 | -178.7 | 178.9 | -176.4 | 0 | 110.2 | P350 V354 | P350-K352 PolarHBondContact O-N 3.4Å; K352-V354 PolarHBondContact O-N 2.77Å | ||
| 353 | P | 30 | Very low | 32 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -68 | 121 | 168.4 | 28.7 | -32.7 | 0 | 0 | 0 | 109.5 | ||||
| 354 | V | 35.2 | Very low | 32 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -103.1 | 107 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | K352 | K352-V354 PolarHBondContact O-N 2.77Š| ||
| 355 | G | 28.5 | Very low | 31.9 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | trans | -89.5 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 356 | S | 30.4 | Very low | 31.7 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | 69.4 | 137.3 | -178.7 | -67.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 357 | A | 29 | Very low | 31.3 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | cis | -164 | 158 | -13 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 358 | G | 27.2 | Very low | 31.2 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 143 | 108.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 359 | S | 32.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 124 Ų | 124 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | trans | 65.3 | 134.6 | 162.2 | -150 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 360 | G | 27 | Very low | 31.1 | Very low | 66 Ų | 66 | 118.1 Ų | 118.1 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 167.3 | 77.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 361 | S | 33.2 | Very low | 30.8 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 178 | 119.4 | 156.4 | -78.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 362 | A | 29.1 | Very low | 30.3 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | 71.5 | 139.8 | 51 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 363 | W | 30.2 | Very low | 29.9 | Very low | 244 Ų | 244 | 117.4 Ų | 117.4 | 92% | 0.924 | 80% | 0.798 | S | S | * | * | cis | -147.5 | 163.2 | 23 | -52.7 | 68.1 | 0 | 0 | 0 | 113.5 | ||||
| 364 | A | 30.5 | Very low | 29.7 | Very low | 86 Ų | 86 | 113.1 Ų | 113.1 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -6.2 | 151.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 365 | T | 29.7 | Very low | 29.3 | Very low | 132 Ų | 132 | 109.1 Ų | 109.1 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | 88.6 | 106.4 | 13.9 | 76.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 366 | S | 28.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 111 Ų | 111 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | 179.6 | 153.9 | 146 | -78.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 367 | G | 26.9 | Very low | 29.1 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | cis | 102.6 | 131.6 | 33.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 368 | V | 29.6 | Very low | 28.9 | Very low | 152 Ų | 152 | 113.2 Ų | 113.2 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | cis | -150.6 | 166.5 | 7.2 | 178.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 369 | G | 29.5 | Very low | 28.9 | Very low | 65 Ų | 65 | 114.1 Ų | 114.1 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | trans | -81.9 | -152.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 370 | P | 40.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 111.3 Ų | 111.3 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | cis | -139.5 | -155.5 | 3.9 | 39.9 | -17.2 | 0 | 0 | 0 | 115.2 | ||||
| 371 | F | 26.7 | Very low | 28.6 | Very low | 205 Ų | 205 | 113.2 Ų | 113.2 | 90% | 0.899 | 74% | 0.735 | S | S | * | * | trans | 75.3 | 139.2 | 177.1 | -48.3 | -74.9 | 0 | 0 | 0 | 117.7 | ||||
| 372 | G | 26.5 | Very low | 28.4 | Very low | 64 Ų | 64 | 113 Ų | 113 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | cis | 178.6 | 133.5 | -11.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 373 | I | 27.9 | Very low | 28.3 | Very low | 181 Ų | 181 | 115.9 Ų | 115.9 | 93% | 0.928 | 72% | 0.724 | S | S | * | * | trans | 53.1 | 139.8 | 147 | -13.9 | -179.2 | 0 | 0 | 0 | 121.6 | ||||
| 374 | G | 25.3 | Very low | 28.2 | Very low | 40 Ų | 40 | 108 Ų | 108 | 41% | 0.412 | 72% | 0.718 | S | S | . | * | trans | -158.7 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | L768 | G374-L768 PolarHBondContact O-N 3.48Š| ||
| 375 | S | 26.9 | Very low | 28.1 | Very low | 57 Ų | 57 | 109.5 Ų | 109.5 | 40% | 0.399 | 72% | 0.724 | S | S | . | * | trans | 65.3 | 143.9 | 175 | -60.7 | 0 | 0 | 0 | 0 | 117.6 | K767 L768 | S375-K767 CarbonylContact O-C 3.22Å; S375-K767 VanDerWaalsContact O-C 3.22Å; S375-K767 WeakPolarHBondContact O-CA 3.34Å; S375-K767 PolarHBondContact O-N 3.17Å; S375-L768 PolarHBondContact O-N 3.02Å; S375-L768 VanDerWaalsContact O-N 3.15Å | ||
| 376 | L | 27.7 | Very low | 28 | Very low | 101 Ų | 101 | 108.6 Ų | 108.6 | 53% | 0.529 | 71% | 0.713 | S | S | . | * | 59 | 145 | 100.3 | -53.7 | 175.2 | 0 | 0 | 0 | 115.8 | K767 L768 | L376-K767 CarbonylContact O-C 3.09Å; L376-K767 VanDerWaalsContact O-O 3.14Å; L376-L768 PolarHBondContact O-N 3.29Å | |||
| 377 | K | 26.1 | Very low | 28.1 | Very low | 163 Ų | 163 | 108.7 Ų | 108.7 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | cis | -150.4 | 149.4 | 9.3 | -112.1 | 145.4 | -178.1 | 177.6 | 0 | 109.3 | ||||
| 378 | S | 26 | Very low | 28 | Very low | 113 Ų | 113 | 110 Ų | 110 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | 60.8 | 145.4 | 89.1 | -134.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 379 | A | 26.9 | Very low | 28 | Very low | 93 Ų | 93 | 107.9 Ų | 107.9 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | cis | -160 | 165.4 | 13.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 380 | G | 26.8 | Very low | 27.8 | Very low | 75 Ų | 75 | 117.3 Ų | 117.3 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | 73 | 166.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 381 | S | 25.8 | Very low | 27.1 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | cis | -152.4 | 133.6 | -13.4 | -177.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 382 | L | 29.3 | Very low | 27.3 | Very low | 110 Ų | 110 | 112 Ų | 112 | 58% | 0.576 | 71% | 0.707 | S | S | * | * | 37.5 | 127.7 | 92.9 | -97.3 | 80.2 | 0 | 0 | 0 | 113.4 | |||||
| 383 | E | 27.3 | Very low | 27.3 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | cis | -134.9 | 174.1 | 22.6 | -61.6 | 163.4 | 149.3 | 0 | 0 | 110.4 | K264 | K264-E383 IonicContact NZ-OE1 2.71Å; K264-E383 PolarHBondContact NZ-OE1 3.33Å; K264-E383 IonicContact NZ-OE2 3.85Å; K264-E383 PolarHBondContact NZ-OE2 3.22Å | ||
| 384 | G | 27.7 | Very low | 27.5 | Very low | 77 Ų | 77 | 116.4 Ų | 116.4 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | cis | 117.6 | 105.7 | 4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 385 | S | 28.4 | Very low | 27.6 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -153.2 | 141.2 | 165 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 386 | I | 27.7 | Very low | 27.6 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | trans | -128.8 | 132.1 | -176.6 | -68.9 | 166.8 | 0 | 0 | 0 | 108.2 | ||||
| 387 | T | 30.3 | Very low | 27.4 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 110.6 | 164.9 | 49.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 388 | S | 25.1 | Very low | 27.5 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -65.6 | 161.7 | 157.1 | -48.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 389 | P | 29.4 | Very low | 27.6 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | -142.8 | 149 | 103.5 | 36.6 | -23.9 | 0 | 0 | 0 | 114.6 | |||||
| 390 | W | 24.4 | Very low | 27.7 | Very low | 263 Ų | 263 | 122.1 Ų | 122.1 | 100% | 0.996 | 77% | 0.77 | S | S | * | * | trans | -112.5 | 61.7 | 161.5 | -71.5 | 12.6 | 0 | 0 | 0 | 109.1 | ||||
| 391 | A | 26.2 | Very low | 27.8 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -171.5 | 119.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 392 | S | 31.8 | Very low | 27.9 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -180 | 90.2 | 154.1 | -98.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 393 | D | 25.6 | Very low | 27.9 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | -90.1 | 101.5 | 164.3 | 176.4 | 25.1 | 0 | 0 | 0 | 107.6 | ||||
| 394 | E | 32.2 | Very low | 28 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -137.5 | 138.4 | 168.9 | -73.3 | -163.3 | 171 | 0 | 0 | 110.7 | ||||
| 395 | T | 27.5 | Very low | 28.1 | Very low | 143 Ų | 143 | 125.5 Ų | 125.5 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -106.5 | 138.2 | -171.6 | 29.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 396 | G | 26.4 | Very low | 28.2 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 173.7 | 74 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 397 | A | 25.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | 87.1 | 77.4 | 69 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 398 | A | 27.5 | Very low | 28.2 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -174.6 | 136 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 399 | N | 28.2 | Very low | 28.2 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | cis | -155.8 | 115.3 | -8.4 | -161.8 | 18.6 | 0 | 0 | 0 | 111.8 | ||||
| 400 | V | 28.3 | Very low | 28.1 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 61.8 | 139.9 | 142 | 166.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 401 | N | 30.1 | Very low | 28 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | 77.6 | 112.2 | 169.5 | -66.1 | -20.6 | 0 | 0 | 0 | 118 | ||||
| 402 | Q | 28.1 | Very low | 28.1 | Very low | 177 Ų | 177 | 126.3 Ų | 126.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | 82 | 130.2 | 62.5 | -76.1 | -170.8 | 90 | 0 | 0 | 113.2 | |||||
| 403 | A | 28.5 | Very low | 28 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -164.2 | 162.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 404 | S | 29.3 | Very low | 28 | Very low | 130 Ų | 130 | 129 Ų | 129 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | 68.6 | 154.7 | 166.4 | 78.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 405 | G | 29.3 | Very low | 27.8 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 165.7 | -23.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 406 | V | 32.1 | Very low | 27.8 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 47.3 | 117 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 407 | P | 26.5 | Very low | 27.9 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 147 | 175.1 | 33.4 | -35.2 | 0 | 0 | 0 | 112.7 | ||||
| 408 | C | 29.6 | Very low | 28.1 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | trans | -116.6 | 142.8 | 173.6 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 409 | A | 25.2 | Very low | 28.4 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 59% | 0.587 | 78% | 0.781 | S | S | * | * | trans | -102.5 | 136.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P485 | A409-P485 HydrophobicContact CB-CB 4.13Š| ||
| 410 | A | 27.1 | Very low | 28.4 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | trans | -149 | 100.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 411 | W | 24.2 | Very low | 28.5 | Very low | 268 Ų | 268 | 128.5 Ų | 128.5 | 100% | 1.015 | 79% | 0.786 | S | S | * | * | trans | -109.9 | 62.9 | 162 | -100.1 | 59.9 | 0 | 0 | 0 | 108.5 | ||||
| 412 | T | 27.2 | Very low | 28.5 | Very low | 114 Ų | 114 | 128 Ų | 128 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -148.1 | 100.8 | -177.8 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 413 | E | 30.1 | Very low | 28.7 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -158.1 | 115.9 | 149.5 | -119.9 | 179.1 | -158.8 | 0 | 0 | 112.3 | H415 | E413-H415 PolarHBondContact O-N 3Å; E413-H415 IonicContact OE2-CD2 3.24Å | ||
| 414 | N | 25.9 | Very low | 28.8 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -91.4 | 72.2 | 176.7 | -89 | -39.7 | 0 | 0 | 0 | 110.5 | ||||
| 415 | H | 28.4 | Very low | 28.8 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | trans | -127.2 | 76.9 | -177.7 | -71.8 | -36.2 | 0 | 0 | 0 | 114.7 | E413 | E413-H415 PolarHBondContact O-N 3Å; E413-H415 IonicContact OE2-CD2 3.24Å | ||
| 416 | C | 27.1 | Very low | 29.2 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -146.5 | 50.1 | 159.1 | -126.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 417 | A | 27.3 | Very low | 29.4 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -121.2 | 65.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 418 | S | 30.9 | Very low | 29.8 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -104.6 | 87.1 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 419 | T | 33.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -68.6 | 147.1 | 175.9 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 420 | P | 27 | Very low | 30.5 | Very low | 130 Ų | 130 | 147 Ų | 147 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -70.4 | 134.9 | 167.9 | 30.9 | -33.4 | 0 | 0 | 0 | 109.5 | ||||
| 421 | S | 30.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -148 | 110.4 | 169 | -160.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 422 | S | 29.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 145.4 | 164.4 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 423 | R | 32.9 | Very low | 32 | Very low | 208 Ų | 208 | 143.3 Ų | 143.3 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -134.1 | 138.2 | 161.6 | -78.3 | -166.8 | 169.9 | -171.9 | -3.3 | 110.5 | ||||
| 424 | H | 31 | Very low | 32.3 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | trans | -71.1 | 143.3 | 172.8 | -90.6 | -130.7 | 0 | 0 | 0 | 111.1 | ||||
| 425 | D | 30.2 | Very low | 32.8 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | -170 | 147.8 | 102 | -105 | -46.9 | 0 | 0 | 0 | 108 | |||||
| 426 | S | 37.6 | Very low | 33.1 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | cis | -159.5 | 141.4 | 49.7 | -57.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 427 | I | 35.5 | Very low | 33.6 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | trans | 45.6 | 102.4 | 135.4 | -45.3 | 165.8 | 0 | 0 | 0 | 119.1 | ||||
| 428 | N | 34.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | -178.2 | 134.2 | 113.1 | -103.6 | -76.7 | 0 | 0 | 0 | 115.6 | |||||
| 429 | R | 35.7 | Very low | 34 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 79% | 0.789 | 76% | 0.755 | S | S | * | * | trans | 72 | 93.9 | 143 | -68.5 | 165.8 | -163.7 | -136.5 | -1.9 | 122.9 | ||||
| 430 | R | 35.4 | Very low | 33.7 | Very low | 228 Ų | 228 | 136.4 Ų | 136.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | 72.5 | 121.1 | 117.9 | -69.7 | -176.4 | -174.9 | -161.2 | -0.3 | 121.8 | |||||
| 431 | S | 31.4 | Very low | 34.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | 67.9 | 150.4 | 142.1 | -56.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 432 | V | 41.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | cis | -134 | 164.3 | 20.6 | -149.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 433 | D | 36 | Very low | 34.5 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | -54 | 159.9 | 173.6 | -37.7 | -99.1 | 0 | 0 | 0 | 112.9 | ||||
| 434 | S | 36.8 | Very low | 34.2 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -153.7 | -159.9 | 2.4 | -152.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 435 | D | 37 | Very low | 34.2 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | -159 | -156.4 | 7.9 | -148.1 | -89.1 | 0 | 0 | 0 | 111.5 | ||||
| 436 | A | 34 | Very low | 34.2 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -65.3 | 164.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 437 | V | 37 | Very low | 34 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | cis | -147.7 | 150.9 | 36.5 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 438 | P | 35.2 | Very low | 33.8 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -96.7 | 165.6 | -176.2 | 38.1 | -36.5 | 0 | 0 | 0 | 115.9 | ||||
| 439 | S | 31.5 | Very low | 33.5 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 68.1 | 142.4 | 170.1 | -79.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 440 | D | 28.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | cis | -144.5 | 136.9 | -8 | -82.1 | -43.5 | 0 | 0 | 0 | 108.8 | ||||
| 441 | D | 34.2 | Very low | 33.2 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -167.4 | 106.4 | 158.8 | -117.1 | -31.3 | 0 | 0 | 0 | 111.4 | F443 | D441-F443 PolarHBondContact O-N 3.23Š| ||
| 442 | V | 36.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 122.2 Ų | 122.2 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | -90 | 101.1 | 177.5 | 178 | 0 | 0 | 0 | 0 | 109.5 | A444 | V442-A444 PolarHBondContact O-N 2.85Š| ||
| 443 | F | 31.7 | Very low | 33.7 | Very low | 182 Ų | 182 | 120.1 Ų | 120.1 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -55.9 | 108.5 | -177.8 | -116.6 | -103 | 0 | 0 | 0 | 113 | D441 S445 | D441-F443 PolarHBondContact O-N 3.23Å; F443-S445 PolarHBondContact O-N 3.44Å | ||
| 444 | A | 27.6 | Very low | 34 | Very low | 98 Ų | 98 | 115 Ų | 115 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | -75.4 | 112.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V442 | V442-A444 PolarHBondContact O-N 2.85Š| ||
| 445 | S | 29.8 | Very low | 34.8 | Very low | 90 Ų | 90 | 113.5 Ų | 113.5 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | -155.2 | 128.6 | 173.8 | -78.7 | 0 | 0 | 0 | 0 | 113 | F443 | F443-S445 PolarHBondContact O-N 3.44Š| ||
| 446 | S | 30.6 | Very low | 35.6 | Very low | 112 Ų | 112 | 111.5 Ų | 111.5 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | trans | 63.9 | 99.3 | 160.3 | -57.3 | 0 | 0 | 0 | 0 | 119.1 | A448 | S446-A448 PolarHBondContact O-N 3.37Š| ||
| 447 | P | 33.4 | Very low | 37 | Very low | 126 Ų | 126 | 112.5 Ų | 112.5 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -70.4 | 120.6 | 159.5 | 30 | -32.4 | 0 | 0 | 0 | 110.5 | ||||
| 448 | A | 31.1 | Very low | 38.1 | Very low | 93 Ų | 93 | 115 Ų | 115 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -74.9 | 141.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | S446 S450 | S446-A448 PolarHBondContact O-N 3.37Å; A448-S450 PolarHBondContact O-N 3.47Å; A448-S450 VanDerWaalsContact O-N 3.14Å | ||
| 449 | V | 29.5 | Very low | 39.7 | Very low | 152 Ų | 152 | 113.9 Ų | 113.9 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | trans | -86.8 | 80.5 | -172 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 450 | S | 28.8 | Very low | 41.4 | Very low | 95 Ų | 95 | 112.8 Ų | 112.8 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | -168 | 94.2 | 172.8 | 51.7 | 0 | 0 | 0 | 0 | 115 | A448 | A448-S450 PolarHBondContact O-N 3.47Å; A448-S450 VanDerWaalsContact O-N 3.14Å | ||
| 451 | N | 35.6 | Very low | 43.3 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | 163.5 | 75.5 | 140.9 | -88.8 | -26.2 | 0 | 0 | 0 | 113.1 | ||||
| 452 | A | 37 | Very low | 44.9 | Very low | 84 Ų | 84 | 106.1 Ų | 106.1 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -75 | -49.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | G454 S455 L456 | A452-G454 VanDerWaalsContact C-N 3.34Å; A452-G454 PolarHBondContact O-N 2.91Å; A452-S455 VanDerWaalsContact O-CB 3.3Å; A452-S455 WeakPolarHBondContact O-CB 3.42Å; A452-S455 PolarHBondContact O-N 3.34Å; A452-L456 PolarHBondContact O-N 2.92Å |
| 453 | S | 44.7 | Very low | 46.6 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.8 | -37.1 | -172.7 | -39.9 | 0 | 0 | 0 | 0 | 113.6 | S455 L456 V457 | S453-S455 PolarHBondContact O-N 3.01Å; S453-L456 PolarHBondContact O-N 2.86Å; S453-V457 PolarHBondContact O-N 3.01Å |
| 454 | G | 42.4 | Very low | 48.7 | Very low | 37 Ų | 37 | 97.9 Ų | 97.9 | 38% | 0.381 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.6 | -19.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A452 R458 | A452-G454 VanDerWaalsContact C-N 3.34Å; A452-G454 PolarHBondContact O-N 2.91Å; G454-R458 WeakPolarHBondContact O-CD 3.28Å; G454-R458 VanDerWaalsContact O-CG 3.25Å; G454-R458 WeakPolarHBondContact O-CG 3.42Å |
| 455 | S | 54 | Low | 50.9 | Low | 72 Ų | 72 | 97.6 Ų | 97.6 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75.2 | -50.4 | 172.4 | -169 | 0 | 0 | 0 | 0 | 110.7 | A452 S453 V457 R458 V459 | A452-S455 VanDerWaalsContact O-CB 3.3Å; A452-S455 WeakPolarHBondContact O-CB 3.42Å; A452-S455 PolarHBondContact O-N 3.34Å; S453-S455 PolarHBondContact O-N 3.01Å; S455-V457 PolarHBondContact O-N 3.05Å; S455-R458 WeakPolarHBondContact O-CB 3.46Å; S455-R458 PolarHBondContact O-N 3.32Å; S455-V459 WeakPolarHBondContact O-CG2 3.41Å; S455-V459 PolarHBondContact O-N 3.28Å |
| 456 | L | 54.8 | Low | 53 | Low | 101 Ų | 101 | 97.9 Ų | 97.9 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.5 | -39.4 | -175.4 | -165.4 | 150.9 | 0 | 0 | 0 | 112.4 | A452 S453 R458 V459 L460 | A452-L456 PolarHBondContact O-N 2.92Å; S453-L456 PolarHBondContact O-N 2.86Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.16Å; L456-V459 PolarHBondContact O-N 3Å; L456-L460 HydrophobicContact CD2-CD1 3.67Å; L456-L460 HydrophobicContact CD2-CG 4.18Å; L456-L460 PolarHBondContact O-N 3.45Å |
| 457 | V | 61.6 | Low | 55 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.6 | -37.2 | 173.6 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | S453 S455 A461 | S453-V457 PolarHBondContact O-N 3.01Å; S455-V457 PolarHBondContact O-N 3.05Å; V457-A461 VanDerWaalsContact O-CB 3.27Å; V457-A461 WeakPolarHBondContact O-CB 3.34Å; V457-A461 PolarHBondContact O-N 3.24Å |
| 458 | R | 61.8 | Low | 57 | Low | 186 Ų | 186 | 90.7 Ų | 90.7 | 70% | 0.702 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.5 | -37.3 | 174.6 | -74 | 175.3 | -178.9 | -167.9 | -0.2 | 112.3 | G454 S455 L456 A461 N462 | G454-R458 WeakPolarHBondContact O-CD 3.28Å; G454-R458 VanDerWaalsContact O-CG 3.25Å; G454-R458 WeakPolarHBondContact O-CG 3.42Å; S455-R458 WeakPolarHBondContact O-CB 3.46Å; S455-R458 PolarHBondContact O-N 3.32Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.16Å; R458-A461 PolarHBondContact O-N 3.24Å; R458-N462 VanDerWaalsContact O-CB 3.28Å; R458-N462 WeakPolarHBondContact O-CB 3.21Å; R458-N462 PolarHBondContact O-N 2.95Å; R458-N462 PolarHBondContact O-OD1 3.05Å |
| 459 | V | 67.5 | Low | 59 | Low | 85 Ų | 85 | 88.9 Ų | 88.9 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | S455 L456 N462 Q463 | S455-V459 WeakPolarHBondContact O-CG2 3.41Å; S455-V459 PolarHBondContact O-N 3.28Å; L456-V459 PolarHBondContact O-N 3Å; V459-N462 PolarHBondContact O-N 3.25Å; V459-Q463 WeakPolarHBondContact O-CB 3.46Å; V459-Q463 PolarHBondContact O-N 3.28Å |
| 460 | L | 67.1 | Low | 61.2 | Low | 80 Ų | 80 | 83.9 Ų | 83.9 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.9 | -70.7 | 175.1 | 0 | 0 | 0 | 112.4 | L456 Q463 V464 | L456-L460 HydrophobicContact CD2-CD1 3.67Å; L456-L460 HydrophobicContact CD2-CG 4.18Å; L456-L460 PolarHBondContact O-N 3.45Å; L460-Q463 PolarHBondContact O-N 3.06Å; L460-V464 WeakPolarHBondContact O-CG2 3.48Å; L460-V464 PolarHBondContact O-N 3.14Å |
| 461 | A | 69 | Low | 63.2 | Low | 49 Ų | 49 | 79.3 Ų | 79.3 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V457 R458 V464 V465 | V457-A461 VanDerWaalsContact O-CB 3.27Å; V457-A461 WeakPolarHBondContact O-CB 3.34Å; V457-A461 PolarHBondContact O-N 3.24Å; R458-A461 PolarHBondContact O-N 3.24Å; A461-V464 PolarHBondContact O-N 3.38Å; A461-V465 WeakPolarHBondContact O-CB 3.44Å; A461-V465 VanDerWaalsContact O-CG2 3.27Å; A461-V465 WeakPolarHBondContact O-CG2 3.18Å; A461-V465 PolarHBondContact O-N 3.14Å |
| 462 | N | 68.7 | Low | 65.1 | Low | 109 Ų | 109 | 74.4 Ų | 74.4 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.6 | -42.4 | 175.2 | -71.4 | -3.3 | 0 | 0 | 0 | 111.4 | R458 V459 V464 V465 E466 | R458-N462 VanDerWaalsContact O-CB 3.28Å; R458-N462 WeakPolarHBondContact O-CB 3.21Å; R458-N462 PolarHBondContact O-N 2.95Å; R458-N462 PolarHBondContact O-OD1 3.05Å; V459-N462 PolarHBondContact O-N 3.25Å; N462-V464 PolarHBondContact O-N 3.21Å; N462-V465 PolarHBondContact O-N 2.75Å; N462-E466 VanDerWaalsContact O-CB 3.31Å; N462-E466 WeakPolarHBondContact O-CB 3.36Å; N462-E466 PolarHBondContact O-N 2.79Å |
| 463 | Q | 72.9 | Confident | 66.8 | Low | 86 Ų | 86 | 79.5 Ų | 79.5 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.3 | -172.6 | 178 | 10.7 | 0 | 0 | 112 | V459 L460 E466 Q467 | V459-Q463 WeakPolarHBondContact O-CB 3.46Å; V459-Q463 PolarHBondContact O-N 3.28Å; L460-Q463 PolarHBondContact O-N 3.06Å; Q463-E466 PolarHBondContact O-N 2.66Å; Q463-Q467 WeakPolarHBondContact O-CB 3.47Å; Q463-Q467 VanDerWaalsContact O-CG 3.29Å; Q463-Q467 WeakPolarHBondContact O-CG 3.41Å; Q463-Q467 PolarHBondContact O-N 3.07Å |
| 464 | V | 75.1 | Confident | 68 | Low | 70 Ų | 70 | 77.6 Ų | 77.6 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 175 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L460 A461 N462 L468 | L460-V464 WeakPolarHBondContact O-CG2 3.48Å; L460-V464 PolarHBondContact O-N 3.14Å; A461-V464 PolarHBondContact O-N 3.38Å; N462-V464 PolarHBondContact O-N 3.21Å; V464-L468 HydrophobicContact CG1-CD1 4.23Å; V464-L468 WeakPolarHBondContact O-CB 3.35Å; V464-L468 VanDerWaalsContact O-CG 3.3Å; V464-L468 WeakPolarHBondContact O-CG 3.36Å; V464-L468 PolarHBondContact O-N 2.65Å |
| 465 | V | 74 | Confident | 69.4 | Low | 93 Ų | 93 | 77.6 Ų | 77.6 | 56% | 0.564 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -66.1 | -37.5 | 174.6 | 167.3 | 0 | 0 | 0 | 0 | 111.5 | A461 N462 L468 A469 | A461-V465 WeakPolarHBondContact O-CB 3.44Å; A461-V465 VanDerWaalsContact O-CG2 3.27Å; A461-V465 WeakPolarHBondContact O-CG2 3.18Å; A461-V465 PolarHBondContact O-N 3.14Å; N462-V465 PolarHBondContact O-N 2.75Å; V465-L468 PolarHBondContact O-N 3.48Å; V465-A469 WeakPolarHBondContact O-CB 3.44Å; V465-A469 PolarHBondContact O-N 2.98Å |
| 466 | E | 72.4 | Confident | 70.1 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.4 | -44.3 | 175.7 | -174.5 | 164.4 | -148.5 | 0 | 0 | 111.5 | W96 N462 Q463 L468 A469 V470 | W96-E466 HydrophobicContact CH2-CG 4.1Å; W96-E466 WeakPolarHBondContact CH2-OE2 3.49Å; W96-E466 HydrophobicContact CZ2-CG 4.25Å; N462-E466 VanDerWaalsContact O-CB 3.31Å; N462-E466 WeakPolarHBondContact O-CB 3.36Å; N462-E466 PolarHBondContact O-N 2.79Å; Q463-E466 PolarHBondContact O-N 2.66Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 2.88Å; E466-A469 WeakPolarHBondContact O-CB 3.46Å; E466-A469 PolarHBondContact O-N 3.17Å; E466-A469 VanDerWaalsContact O-N 3.14Å; E466-V470 WeakPolarHBondContact O-CG2 3.43Å; E466-V470 PolarHBondContact O-N 2.88Å |
| 467 | Q | 73.2 | Confident | 70.8 | Confident | 54 Ų | 54 | 70 Ų | 70 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 171.7 | -75.4 | 174.7 | -9.1 | 0 | 0 | 112.2 | Q463 V470 A471 L498 | Q463-Q467 WeakPolarHBondContact O-CB 3.47Å; Q463-Q467 VanDerWaalsContact O-CG 3.29Å; Q463-Q467 WeakPolarHBondContact O-CG 3.41Å; Q463-Q467 PolarHBondContact O-N 3.07Å; Q467-V470 PolarHBondContact O-N 3.38Å; Q467-A471 VanDerWaalsContact O-CB 3.25Å; Q467-A471 WeakPolarHBondContact O-CB 3.26Å; Q467-A471 PolarHBondContact O-N 3.21Å; Q467-L498 HydrophobicContact CB-CD2 4.29Å |
| 468 | L | 76 | Confident | 71.1 | Confident | 32 Ų | 32 | 67.3 Ų | 67.3 | 17% | 0.168 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 172 | -79.8 | 172.5 | 0 | 0 | 0 | 112.1 | V464 V465 E466 A471 V472 I477 L482 L494 L498 | V464-L468 HydrophobicContact CG1-CD1 4.23Å; V464-L468 WeakPolarHBondContact O-CB 3.35Å; V464-L468 VanDerWaalsContact O-CG 3.3Å; V464-L468 WeakPolarHBondContact O-CG 3.36Å; V464-L468 PolarHBondContact O-N 2.65Å; V465-L468 PolarHBondContact O-N 3.48Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 2.88Å; L468-A471 PolarHBondContact O-N 2.95Å; L468-V472 WeakPolarHBondContact O-CB 3.36Å; L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.33Å; L468-V472 PolarHBondContact O-N 3.48Å; L468-I477 HydrophobicContact CD2-CD1 3.79Å; L468-L482 HydrophobicContact CD1-CD2 4.45Å; L468-L482 HydrophobicContact CD2-CD2 4.13Å; L468-L494 HydrophobicContact CD2-CD1 4.48Å; L468-L494 HydrophobicContact CD2-CD2 4.13Å; L468-L498 HydrophobicContact CD2-CD1 4.2Å; L468-L498 HydrophobicContact CG-CD1 4.37Å |
| 469 | A | 73.8 | Confident | 71.4 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V465 E466 K473 | V465-A469 WeakPolarHBondContact O-CB 3.44Å; V465-A469 PolarHBondContact O-N 2.98Å; E466-A469 WeakPolarHBondContact O-CB 3.46Å; E466-A469 PolarHBondContact O-N 3.17Å; E466-A469 VanDerWaalsContact O-N 3.14Å; A469-K473 WeakPolarHBondContact O-CB 3.19Å; A469-K473 PolarHBondContact O-N 3.19Å |
| 470 | V | 73.8 | Confident | 71.3 | Confident | 46 Ų | 46 | 60.6 Ų | 60.6 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 172.4 | 172.2 | 0 | 0 | 0 | 0 | 111 | E466 Q467 V472 K473 T474 | E466-V470 WeakPolarHBondContact O-CG2 3.43Å; E466-V470 PolarHBondContact O-N 2.88Å; Q467-V470 PolarHBondContact O-N 3.38Å; V470-V472 VanDerWaalsContact C-N 3.32Å; V470-V472 PolarHBondContact O-N 3.39Å; V470-K473 PolarHBondContact O-N 3.34Å; V470-T474 HydrophobicContact CG1-CG2 4.3Å; V470-T474 WeakPolarHBondContact O-CB 3.43Å; V470-T474 WeakPolarHBondContact O-CG2 3.42Å; V470-T474 PolarHBondContact O-N 3.47Å; V470-T474 PolarHBondContact O-OG1 3.47Å |
| 471 | A | 71.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.3 | -31.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q467 L468 T474 L476 I477 L498 I501 | Q467-A471 VanDerWaalsContact O-CB 3.25Å; Q467-A471 WeakPolarHBondContact O-CB 3.26Å; Q467-A471 PolarHBondContact O-N 3.21Å; L468-A471 PolarHBondContact O-N 2.95Å; A471-T474 WeakPolarHBondContact CA-OG1 3.36Å; A471-T474 PolarHBondContact O-OG1 2.89Å; A471-L476 WeakPolarHBondContact O-CA 3.47Å; A471-L476 WeakPolarHBondContact O-CB 3.38Å; A471-L476 PolarHBondContact O-N 2.86Å; A471-I477 HydrophobicContact CB-CB 4.41Å; A471-I477 HydrophobicContact CB-CD1 3.63Å; A471-I477 HydrophobicContact CB-CG1 3.91Å; A471-I477 PolarHBondContact O-N 2.92Å; A471-L498 HydrophobicContact CB-CD2 3.91Å; A471-I501 HydrophobicContact CB-CD1 3.96Å |
| 472 | V | 76 | Confident | 71.1 | Confident | 43 Ų | 43 | 59 Ų | 59 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.9 | -43.6 | 170.7 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L468 V470 T474 G475 I477 L482 | L468-V472 WeakPolarHBondContact O-CB 3.36Å; L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.33Å; L468-V472 PolarHBondContact O-N 3.48Å; V470-V472 VanDerWaalsContact C-N 3.32Å; V470-V472 PolarHBondContact O-N 3.39Å; V472-T474 VanDerWaalsContact C-N 3.32Å; V472-T474 PolarHBondContact O-N 2.95Å; V472-G475 PolarHBondContact O-N 3.37Å; V472-I477 WeakPolarHBondContact CA-O 3.3Å; V472-I477 HydrophobicContact CG2-CB 3.99Å; V472-I477 HydrophobicContact CG2-CG2 3.91Å; V472-L482 HydrophobicContact CG2-CD1 3.97Å |
| 473 | K | 73.6 | Confident | 70.8 | Confident | 192 Ų | 192 | 57.2 Ų | 57.2 | 84% | 0.835 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.2 | -32.1 | 179.6 | -175.6 | -179 | 177.3 | -173 | 0 | 113.2 | A469 V470 G475 | A469-K473 WeakPolarHBondContact O-CB 3.19Å; A469-K473 PolarHBondContact O-N 3.19Å; V470-K473 PolarHBondContact O-N 3.34Å; K473-G475 VanDerWaalsContact C-N 3.27Å |
| 474 | T | 68.6 | Low | 70.4 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -0.7 | 173.4 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | V470 A471 V472 L476 W655 | V470-T474 HydrophobicContact CG1-CG2 4.3Å; V470-T474 WeakPolarHBondContact O-CB 3.43Å; V470-T474 WeakPolarHBondContact O-CG2 3.42Å; V470-T474 PolarHBondContact O-N 3.47Å; V470-T474 PolarHBondContact O-OG1 3.47Å; A471-T474 WeakPolarHBondContact CA-OG1 3.36Å; A471-T474 PolarHBondContact O-OG1 2.89Å; V472-T474 VanDerWaalsContact C-N 3.32Å; V472-T474 PolarHBondContact O-N 2.95Å; T474-L476 PolarHBondContact O-N 3.37Å; T474-W655 HydrophobicContact CG2-CH2 4.43Å |
| 475 | G | 73 | Confident | 70.1 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 22.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V472 K473 K549 | V472-G475 PolarHBondContact O-N 3.37Å; K473-G475 VanDerWaalsContact C-N 3.27Å; G475-K549 WeakPolarHBondContact O-CE 3.46Å; G475-K549 PolarHBondContact O-NZ 3.49Å |
| 476 | L | 67.2 | Low | 70.2 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.068 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -84.1 | -32.1 | 174.9 | -62.5 | 179.3 | 0 | 0 | 0 | 111.8 | A471 T474 I501 V545 K549 W655 | A471-L476 WeakPolarHBondContact O-CA 3.47Å; A471-L476 WeakPolarHBondContact O-CB 3.38Å; A471-L476 PolarHBondContact O-N 2.86Å; T474-L476 PolarHBondContact O-N 3.37Å; L476-I501 HydrophobicContact CB-CD1 4.31Å; L476-I501 HydrophobicContact CD1-CD1 3.53Å; L476-I501 HydrophobicContact CD1-CG1 3.69Å; L476-V545 HydrophobicContact CD1-CG1 4.26Å; L476-V545 HydrophobicContact CD2-CG1 3.73Å; L476-K549 HydrophobicContact CD2-CD 4.34Å; L476-W655 HydrophobicContact CD2-CZ2 4.36Å |
| 477 | I | 70.6 | Confident | 70.5 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -117.2 | 124.2 | 171.1 | -63 | 179 | 0 | 0 | 0 | 107.9 | L468 A471 V472 L481 L494 L497 L498 | L468-I477 HydrophobicContact CD2-CD1 3.79Å; A471-I477 HydrophobicContact CB-CB 4.41Å; A471-I477 HydrophobicContact CB-CD1 3.63Å; A471-I477 HydrophobicContact CB-CG1 3.91Å; A471-I477 PolarHBondContact O-N 2.92Å; V472-I477 WeakPolarHBondContact CA-O 3.3Å; V472-I477 HydrophobicContact CG2-CB 3.99Å; V472-I477 HydrophobicContact CG2-CG2 3.91Å; I477-L481 HydrophobicContact CG2-CB 4.28Å; I477-L481 HydrophobicContact CG2-CD1 3.79Å; I477-L494 HydrophobicContact CD1-CD1 4Å; I477-L494 HydrophobicContact CD1-CG 3.99Å; I477-L497 HydrophobicContact CD1-CD2 4.41Å; I477-L497 HydrophobicContact CG1-CD2 3.86Å; I477-L498 HydrophobicContact CD1-CD2 4.24Å |
| 478 | E | 68.3 | Low | 70.7 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | trans | -72.5 | 134.3 | 171.5 | -71.2 | -170.9 | -123 | 0 | 0 | 111.1 | H480 L481 N553 R560 R649 | E478-H480 WeakPolarHBondContact CB-ND1 3.42Å; E478-H480 PolarHBondContact O-N 2.75Å; E478-H480 IonicContact OE1-CE1 3.51Å; E478-H480 IonicContact OE2-CE1 3.99Å; E478-H480 PolarHBondContact OE2-CE1 3.32Å; E478-H480 VanDerWaalsContact OE2-CE1 3.25Å; E478-H480 IonicContact OE2-ND1 3.53Å; E478-H480 PolarHBondContact OE2-ND1 2.85Å; E478-L481 HydrophobicContact CB-CD1 4.24Å; E478-L481 HydrophobicContact CB-CG 4.24Å; E478-L481 WeakPolarHBondContact O-CB 3.44Å; E478-L481 WeakPolarHBondContact O-CG 3.49Å; E478-L481 PolarHBondContact O-N 2.93Å; E478-N553 PolarHBondContact OE1-OD1 2.9Å; E478-R560 IonicContact OE1-CZ 3.24Å; E478-R560 VanDerWaalsContact OE1-CZ 3.24Å; E478-R560 IonicContact OE1-NH1 2.67Å; E478-R560 PolarHBondContact OE1-NH1 2.85Å; E478-R560 IonicContact OE1-NH2 3.01Å; E478-R560 PolarHBondContact OE1-NH2 2.79Å; E478-R560 IonicContact OE2-CZ 3.95Å; E478-R560 IonicContact OE2-NH1 3.37Å; E478-R560 PolarHBondContact OE2-NH1 2.85Å; E478-R649 IonicContact OE2-NH1 3.87Å | ||
| 479 | S | 68 | Low | 71 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -56.6 | -28.4 | -175.5 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | L481 L482 | S479-L481 PolarHBondContact O-N 2.91Å; S479-L482 PolarHBondContact O-N 3.47Å |
| 480 | H | 65.9 | Low | 71.3 | Confident | 46 Ų | 46 | 55 Ų | 55 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -64.3 | -22.6 | 177.1 | 78.1 | -92.6 | 0 | 0 | 0 | 113.3 | E478 L482 S483 R560 | E478-H480 WeakPolarHBondContact CB-ND1 3.42Å; E478-H480 PolarHBondContact O-N 2.75Å; E478-H480 IonicContact OE1-CE1 3.51Å; E478-H480 IonicContact OE2-CE1 3.99Å; E478-H480 PolarHBondContact OE2-CE1 3.32Å; E478-H480 VanDerWaalsContact OE2-CE1 3.25Å; E478-H480 IonicContact OE2-ND1 3.53Å; E478-H480 PolarHBondContact OE2-ND1 2.85Å; H480-L482 VanDerWaalsContact C-N 3.25Å; H480-L482 PolarHBondContact O-N 3.02Å; H480-S483 WeakPolarHBondContact O-CB 3.43Å; H480-S483 PolarHBondContact O-N 3.45Å; H480-S483 VanDerWaalsContact O-N 3.14Å; H480-S483 PolarHBondContact O-OG 3.06Å; H480-R560 PolarHBondContact CE1-NH2 3.37Å; H480-R560 VanDerWaalsContact CE1-NH2 3.32Å; H480-R560 PolarHBondContact NE2-NE 2.8Å |
| 481 | L | 64.2 | Low | 71.6 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -64.6 | -30.9 | 178.8 | -60.2 | 174.1 | 0 | 0 | 0 | 112 | I477 E478 S479 S483 L486 I552 T556 | I477-L481 HydrophobicContact CG2-CB 4.28Å; I477-L481 HydrophobicContact CG2-CD1 3.79Å; E478-L481 HydrophobicContact CB-CD1 4.24Å; E478-L481 HydrophobicContact CB-CG 4.24Å; E478-L481 WeakPolarHBondContact O-CB 3.44Å; E478-L481 WeakPolarHBondContact O-CG 3.49Å; E478-L481 PolarHBondContact O-N 2.93Å; S479-L481 PolarHBondContact O-N 2.91Å; L481-S483 VanDerWaalsContact C-N 3.26Å; L481-S483 PolarHBondContact O-N 3.4Å; L481-L486 HydrophobicContact CB-CD2 4.39Å; L481-L486 HydrophobicContact CD2-CD2 4.5Å; L481-L486 WeakPolarHBondContact O-CD2 3.4Å; L481-L486 WeakPolarHBondContact O-CG 3.41Å; L481-I552 HydrophobicContact CD1-CG2 3.61Å; L481-I552 HydrophobicContact CD2-CG2 4.41Å; L481-T556 HydrophobicContact CD2-CG2 3.19Å |
| 482 | L | 66.2 | Low | 72.3 | Confident | 91 Ų | 91 | 63.5 Ų | 63.5 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -80.5 | -6 | 178 | -56.5 | 179.4 | 0 | 0 | 0 | 113.1 | L468 V472 S479 H480 | L468-L482 HydrophobicContact CD1-CD2 4.45Å; L468-L482 HydrophobicContact CD2-CD2 4.13Å; V472-L482 HydrophobicContact CG2-CD1 3.97Å; S479-L482 PolarHBondContact O-N 3.47Å; H480-L482 VanDerWaalsContact C-N 3.25Å; H480-L482 PolarHBondContact O-N 3.02Å |
| 483 | S | 62.6 | Low | 72.8 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -94 | 2 | -176.8 | 74.7 | 0 | 0 | 0 | 0 | 114.7 | H480 L481 | H480-S483 WeakPolarHBondContact O-CB 3.43Å; H480-S483 PolarHBondContact O-N 3.45Å; H480-S483 VanDerWaalsContact O-N 3.14Å; H480-S483 PolarHBondContact O-OG 3.06Å; L481-S483 VanDerWaalsContact C-N 3.26Å; L481-S483 PolarHBondContact O-N 3.4Å |
| 484 | Q | 64 | Low | 73.5 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 28% | 0.276 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -143.8 | 153.8 | -174.6 | -65.4 | -169.9 | 57.1 | 0 | 0 | 111.4 | L486 I559 | Q484-L486 PolarHBondContact O-N 3.26Å; Q484-I559 VanDerWaalsContact NE2-CG2 3.27Å; Q484-I559 VanDerWaalsContact OE1-CG2 3.25Å |
| 485 | P | 68.5 | Low | 74.4 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 69% | 0.688 | 32% | 0.323 | S | S | * | . | trans | -64.7 | 107.9 | 172.1 | 27 | -33.8 | 0 | 0 | 0 | 110.1 | A409 | A409-P485 HydrophobicContact CB-CB 4.13Š| ||
| 486 | L | 76.7 | Confident | 75.1 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | trans | -73.8 | 140.7 | 179.4 | -68.2 | 172.5 | 0 | 0 | 0 | 111.1 | L481 Q484 T490 L491 L494 | L481-L486 HydrophobicContact CB-CD2 4.39Å; L481-L486 HydrophobicContact CD2-CD2 4.5Å; L481-L486 WeakPolarHBondContact O-CD2 3.4Å; L481-L486 WeakPolarHBondContact O-CG 3.41Å; Q484-L486 PolarHBondContact O-N 3.26Å; L486-T490 HydrophobicContact CD2-CG2 4.05Å; L486-L491 HydrophobicContact CB-CD2 3.84Å; L486-L491 HydrophobicContact CB-CG 3.84Å; L486-L491 HydrophobicContact CD1-CD2 3.92Å; L486-L491 HydrophobicContact CG-CD2 4.5Å; L486-L494 HydrophobicContact CD1-CD1 4.04Å | ||
| 487 | P | 78.1 | Confident | 76.3 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | trans | -57.5 | 148.5 | 171.8 | -24.8 | 33.9 | 0 | 0 | 0 | 112.2 | E489 T490 L491 | P487-E489 PolarHBondContact O-N 3.42Å; P487-E489 VanDerWaalsContact O-N 3.17Å; P487-T490 WeakPolarHBondContact O-CA 3.5Å; P487-T490 WeakPolarHBondContact O-CB 3.44Å; P487-T490 PolarHBondContact O-N 3.33Å; P487-L491 PolarHBondContact O-N 3.47Å | ||
| 488 | P | 77.7 | Confident | 77.1 | Confident | 113 Ų | 113 | 59.2 Ų | 59.2 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -54.1 | -37.5 | 179.2 | -28.3 | 35.8 | 0 | 0 | 0 | 114 | T490 L491 F492 | P488-T490 VanDerWaalsContact C-N 3.34Å; P488-T490 PolarHBondContact O-N 3.25Å; P488-L491 PolarHBondContact O-N 3.15Å; P488-F492 WeakPolarHBondContact O-CB 3.35Å; P488-F492 PolarHBondContact O-N 2.95Å |
| 489 | E | 82.2 | Confident | 78.2 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 174.9 | -163.8 | -154.6 | 142.4 | 0 | 0 | 112.4 | P487 K493 H555 | P487-E489 PolarHBondContact O-N 3.42Å; P487-E489 VanDerWaalsContact O-N 3.17Å; E489-K493 HydrophobicContact CG-CD 4.49Å; E489-K493 WeakPolarHBondContact O-CB 3.48Å; E489-K493 WeakPolarHBondContact O-CG 3.49Å; E489-K493 PolarHBondContact O-N 2.97Å; E489-K493 WeakPolarHBondContact OE1-CE 3.36Å; E489-K493 IonicContact OE1-NZ 3.25Å; E489-K493 PolarHBondContact OE1-NZ 3.36Å; E489-H555 IonicContact OE1-CD2 3.74Å; E489-H555 IonicContact OE1-CE1 3.66Å; E489-H555 CovalentContact OE1-NE2 1.77Å; E489-H555 IonicContact OE1-NE2 1.77Å; E489-H555 PolarHBondContact OE1-NE2 3.37Å; E489-H555 IonicContact OE2-CE1 2.77Å; E489-H555 PolarHBondContact OE2-CE1 2.9Å; E489-H555 IonicContact OE2-NE2 2.63Å; E489-H555 PolarHBondContact OE2-NE2 2.86Å |
| 490 | T | 80.6 | Confident | 79.2 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.7 | -36.4 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 111 | L486 P487 P488 K493 L494 I552 | L486-T490 HydrophobicContact CD2-CG2 4.05Å; P487-T490 WeakPolarHBondContact O-CA 3.5Å; P487-T490 WeakPolarHBondContact O-CB 3.44Å; P487-T490 PolarHBondContact O-N 3.33Å; P488-T490 VanDerWaalsContact C-N 3.34Å; P488-T490 PolarHBondContact O-N 3.25Å; T490-K493 PolarHBondContact O-N 3.12Å; T490-L494 WeakPolarHBondContact O-CB 3.36Å; T490-L494 PolarHBondContact O-N 2.99Å; T490-I552 HydrophobicContact CG2-CG1 4.48Å; T490-I552 HydrophobicContact CG2-CG2 4.17Å |
| 491 | L | 80.3 | Confident | 80.3 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 171.5 | -70.9 | 171.4 | 0 | 0 | 0 | 111.9 | L486 P487 P488 L494 N495 | L486-L491 HydrophobicContact CB-CD2 3.84Å; L486-L491 HydrophobicContact CB-CG 3.84Å; L486-L491 HydrophobicContact CD1-CD2 3.92Å; L486-L491 HydrophobicContact CG-CD2 4.5Å; P487-L491 PolarHBondContact O-N 3.47Å; P488-L491 PolarHBondContact O-N 3.15Å; L491-L494 PolarHBondContact O-N 3.47Å; L491-N495 WeakPolarHBondContact O-CB 3.43Å; L491-N495 PolarHBondContact O-N 2.9Å |
| 492 | F | 86 | Confident | 81.5 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.5 | -49.7 | 174.2 | -179.1 | -92.9 | 0 | 0 | 0 | 111.4 | P488 L494 N495 Q496 | P488-F492 WeakPolarHBondContact O-CB 3.35Å; P488-F492 PolarHBondContact O-N 2.95Å; F492-L494 VanDerWaalsContact C-N 3.29Å; F492-L494 PolarHBondContact O-N 2.81Å; F492-N495 PolarHBondContact O-N 3.4Å; F492-N495 VanDerWaalsContact O-N 3.15Å; F492-Q496 WeakPolarHBondContact O-CB 3.25Å; F492-Q496 PolarHBondContact O-N 2.91Å |
| 493 | K | 87.4 | Confident | 82.7 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.8 | -33.8 | 176.8 | -74.7 | 172.7 | 170.6 | 176.7 | 0 | 112.7 | E489 T490 L497 H551 I552 H555 | E489-K493 HydrophobicContact CG-CD 4.49Å; E489-K493 WeakPolarHBondContact O-CB 3.48Å; E489-K493 WeakPolarHBondContact O-CG 3.49Å; E489-K493 PolarHBondContact O-N 2.97Å; E489-K493 WeakPolarHBondContact OE1-CE 3.36Å; E489-K493 IonicContact OE1-NZ 3.25Å; E489-K493 PolarHBondContact OE1-NZ 3.36Å; T490-K493 PolarHBondContact O-N 3.12Å; K493-L497 WeakPolarHBondContact O-CB 3.44Å; K493-L497 PolarHBondContact O-N 2.89Å; K493-H551 HydrophobicContact CD-CB 4.03Å; K493-I552 HydrophobicContact CB-CD1 4.37Å; K493-I552 HydrophobicContact CB-CG1 4.03Å; K493-H555 PolarHBondContact NZ-NE2 2.9Å |
| 494 | L | 87.4 | Confident | 84.1 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 172.8 | -179.5 | 153.8 | 0 | 0 | 0 | 111.6 | L468 I477 L486 T490 L491 F492 L497 L498 I552 | L468-L494 HydrophobicContact CD2-CD1 4.48Å; L468-L494 HydrophobicContact CD2-CD2 4.13Å; I477-L494 HydrophobicContact CD1-CD1 4Å; I477-L494 HydrophobicContact CD1-CG 3.99Å; L486-L494 HydrophobicContact CD1-CD1 4.04Å; T490-L494 WeakPolarHBondContact O-CB 3.36Å; T490-L494 PolarHBondContact O-N 2.99Å; L491-L494 PolarHBondContact O-N 3.47Å; F492-L494 VanDerWaalsContact C-N 3.29Å; F492-L494 PolarHBondContact O-N 2.81Å; L494-L497 WeakPolarHBondContact O-CB 3.34Å; L494-L497 PolarHBondContact O-N 2.95Å; L494-L498 HydrophobicContact CD2-CD1 3.87Å; L494-L498 HydrophobicContact CD2-CG 4.31Å; L494-L498 WeakPolarHBondContact O-CG 3.4Å; L494-L498 PolarHBondContact O-N 3.23Å; L494-I552 HydrophobicContact CB-CD1 4.38Å |
| 495 | N | 87 | Confident | 85.4 | Confident | 86 Ų | 86 | 60.3 Ų | 60.3 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.7 | -167 | -76 | 0 | 0 | 0 | 111.1 | L491 F492 L497 L498 Q499 | L491-N495 WeakPolarHBondContact O-CB 3.43Å; L491-N495 PolarHBondContact O-N 2.9Å; F492-N495 PolarHBondContact O-N 3.4Å; F492-N495 VanDerWaalsContact O-N 3.15Å; N495-L497 VanDerWaalsContact C-N 3.3Å; N495-L497 PolarHBondContact O-N 3.37Å; N495-L498 PolarHBondContact O-N 3.15Å; N495-Q499 WeakPolarHBondContact O-CG 3.38Å; N495-Q499 PolarHBondContact O-N 3.37Å; N495-Q499 PolarHBondContact OD1-NE2 2.67Å |
| 496 | Q | 89.2 | Confident | 86.5 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.5 | -37.7 | 173.8 | -165.9 | 179.4 | 11.1 | 0 | 0 | 112.1 | F492 C500 L548 | F492-Q496 WeakPolarHBondContact O-CB 3.25Å; F492-Q496 PolarHBondContact O-N 2.91Å; Q496-C500 VanDerWaalsContact O-CB 3.28Å; Q496-C500 WeakPolarHBondContact O-CB 3.3Å; Q496-C500 PolarHBondContact O-N 3.22Å; Q496-L548 HydrophobicContact CB-CD1 4.32Å; Q496-L548 HydrophobicContact CB-CD2 4.39Å; Q496-L548 HydrophobicContact CG-CD1 3.98Å; Q496-L548 HydrophobicContact CG-CD2 4.25Å |
| 497 | L | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.6 | 175.1 | 62.4 | 0 | 0 | 0 | 111.5 | I477 K493 L494 N495 Q499 C500 I501 V545 L548 I552 | I477-L497 HydrophobicContact CD1-CD2 4.41Å; I477-L497 HydrophobicContact CG1-CD2 3.86Å; K493-L497 WeakPolarHBondContact O-CB 3.44Å; K493-L497 PolarHBondContact O-N 2.89Å; L494-L497 WeakPolarHBondContact O-CB 3.34Å; L494-L497 PolarHBondContact O-N 2.95Å; N495-L497 VanDerWaalsContact C-N 3.3Å; N495-L497 PolarHBondContact O-N 3.37Å; L497-Q499 PolarHBondContact O-N 2.84Å; L497-C500 PolarHBondContact O-N 3.29Å; L497-C500 VanDerWaalsContact O-N 3.08Å; L497-I501 HydrophobicContact CD1-CD1 3.99Å; L497-I501 HydrophobicContact CD1-CG1 4.17Å; L497-I501 HydrophobicContact CG-CD1 3.88Å; L497-I501 VanDerWaalsContact O-CG1 3.29Å; L497-I501 WeakPolarHBondContact O-CG1 3.37Å; L497-I501 PolarHBondContact O-N 3.25Å; L497-V545 HydrophobicContact CD1-CB 4.33Å; L497-V545 HydrophobicContact CD1-CG1 3.95Å; L497-V545 HydrophobicContact CD1-CG2 4.22Å; L497-L548 HydrophobicContact CB-CB 4.32Å; L497-L548 HydrophobicContact CB-CD1 4.31Å; L497-L548 HydrophobicContact CD1-CB 4.31Å; L497-I552 HydrophobicContact CB-CD1 4.28Å; L497-I552 HydrophobicContact CD2-CD1 3.77Å |
| 498 | L | 89 | Confident | 87.8 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.8 | -66.1 | 178.3 | 0 | 0 | 0 | 112 | Q467 L468 A471 I477 L494 N495 C500 I501 T502 | Q467-L498 HydrophobicContact CB-CD2 4.29Å; L468-L498 HydrophobicContact CD2-CD1 4.2Å; L468-L498 HydrophobicContact CG-CD1 4.37Å; A471-L498 HydrophobicContact CB-CD2 3.91Å; I477-L498 HydrophobicContact CD1-CD2 4.24Å; L494-L498 HydrophobicContact CD2-CD1 3.87Å; L494-L498 HydrophobicContact CD2-CG 4.31Å; L494-L498 WeakPolarHBondContact O-CG 3.4Å; L494-L498 PolarHBondContact O-N 3.23Å; N495-L498 PolarHBondContact O-N 3.15Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 3.23Å; L498-I501 HydrophobicContact CD2-CD1 4.49Å; L498-I501 PolarHBondContact O-N 2.69Å; L498-T502 PolarHBondContact O-N 3.41Å; L498-T502 PolarHBondContact O-OG1 2.89Å |
| 499 | Q | 89.7 | Confident | 88.5 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 173.2 | -68 | -176.2 | 35 | 0 | 0 | 113.4 | N495 L497 T502 K503 | N495-Q499 WeakPolarHBondContact O-CG 3.38Å; N495-Q499 PolarHBondContact O-N 3.37Å; N495-Q499 PolarHBondContact OD1-NE2 2.67Å; L497-Q499 PolarHBondContact O-N 2.84Å; Q499-T502 PolarHBondContact O-OG1 3.35Å; Q499-K503 WeakPolarHBondContact O-CG 3.42Å |
| 500 | C | 90.5 | Very high | 88.9 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 7% | 0.074 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79 | -34.4 | 178 | -164.3 | 0 | 0 | 0 | 0 | 111.7 | Q496 L497 L498 L504 V545 L548 | Q496-C500 VanDerWaalsContact O-CB 3.28Å; Q496-C500 WeakPolarHBondContact O-CB 3.3Å; Q496-C500 PolarHBondContact O-N 3.22Å; L497-C500 PolarHBondContact O-N 3.29Å; L497-C500 VanDerWaalsContact O-N 3.08Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 3.23Å; C500-L504 WeakPolarHBondContact O-CB 3.16Å; C500-L504 PolarHBondContact O-N 2.89Å; C500-V545 HydrophobicContact CB-CG2 4.13Å; C500-L548 HydrophobicContact CB-CD1 4.32Å |
| 501 | I | 89.1 | Confident | 89.4 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 174.6 | -69.5 | 162.9 | 0 | 0 | 0 | 110.9 | A471 L476 L497 L498 K503 L504 E505 V545 | A471-I501 HydrophobicContact CB-CD1 3.96Å; L476-I501 HydrophobicContact CB-CD1 4.31Å; L476-I501 HydrophobicContact CD1-CD1 3.53Å; L476-I501 HydrophobicContact CD1-CG1 3.69Å; L497-I501 HydrophobicContact CD1-CD1 3.99Å; L497-I501 HydrophobicContact CD1-CG1 4.17Å; L497-I501 HydrophobicContact CG-CD1 3.88Å; L497-I501 VanDerWaalsContact O-CG1 3.29Å; L497-I501 WeakPolarHBondContact O-CG1 3.37Å; L497-I501 PolarHBondContact O-N 3.25Å; L498-I501 HydrophobicContact CD2-CD1 4.49Å; L498-I501 PolarHBondContact O-N 2.69Å; I501-K503 VanDerWaalsContact C-N 3.29Å; I501-K503 PolarHBondContact O-N 3.39Å; I501-L504 WeakPolarHBondContact O-CA 3.5Å; I501-L504 WeakPolarHBondContact O-CB 3.43Å; I501-L504 PolarHBondContact O-N 2.86Å; I501-E505 HydrophobicContact CG2-CG 4.27Å; I501-E505 WeakPolarHBondContact O-CG 3.33Å; I501-E505 PolarHBondContact O-N 2.87Å; I501-V545 HydrophobicContact CG1-CG2 4.48Å |
| 502 | T | 89 | Confident | 89.9 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 32% | 0.319 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -33.8 | -178.8 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | L498 Q499 Q506 | L498-T502 PolarHBondContact O-N 3.41Å; L498-T502 PolarHBondContact O-OG1 2.89Å; Q499-T502 PolarHBondContact O-OG1 3.35Å; T502-Q506 PolarHBondContact O-N 3.36Å; T502-Q506 VanDerWaalsContact O-N 3.12Å |
| 503 | K | 90.9 | Very high | 90.1 | Very high | 121 Ų | 121 | 59.8 Ų | 59.8 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 170.6 | -72.7 | -177.2 | 177.8 | -172.1 | 0 | 112.6 | Q499 I501 Q506 A507 L541 | Q499-K503 WeakPolarHBondContact O-CG 3.42Å; I501-K503 VanDerWaalsContact C-N 3.29Å; I501-K503 PolarHBondContact O-N 3.39Å; K503-Q506 PolarHBondContact O-N 2.86Å; K503-A507 WeakPolarHBondContact O-CB 3.39Å; K503-A507 PolarHBondContact O-N 2.84Å; K503-L541 HydrophobicContact CB-CD1 4.1Å; K503-L541 HydrophobicContact CB-CD2 4Å |
| 504 | L | 92.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 176.8 | 180 | 61.4 | 0 | 0 | 0 | 111.1 | C500 I501 Q506 A507 E508 V538 L541 R542 V545 | C500-L504 WeakPolarHBondContact O-CB 3.16Å; C500-L504 PolarHBondContact O-N 2.89Å; I501-L504 WeakPolarHBondContact O-CA 3.5Å; I501-L504 WeakPolarHBondContact O-CB 3.43Å; I501-L504 PolarHBondContact O-N 2.86Å; L504-Q506 VanDerWaalsContact C-N 3.33Å; L504-Q506 PolarHBondContact O-N 3.23Å; L504-A507 PolarHBondContact O-N 3.14Å; L504-E508 HydrophobicContact CD1-CG 3.88Å; L504-E508 HydrophobicContact CG-CG 4.34Å; L504-E508 WeakPolarHBondContact O-CB 3.39Å; L504-E508 WeakPolarHBondContact O-CG 3.43Å; L504-E508 PolarHBondContact O-N 3.12Å; L504-V538 HydrophobicContact CD1-CG1 4.01Å; L504-L541 HydrophobicContact CB-CB 4.26Å; L504-L541 HydrophobicContact CD1-CB 3.95Å; L504-R542 HydrophobicContact CD1-CG 3.79Å; L504-R542 HydrophobicContact CD2-CG 4.02Å; L504-V545 HydrophobicContact CD2-CG2 4.28Å |
| 505 | E | 90.1 | Very high | 90.1 | Very high | 99 Ų | 99 | 61.7 Ų | 61.7 | 46% | 0.463 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 175.8 | -70.4 | 174.7 | 149.9 | 0 | 0 | 111.8 | I501 S509 | I501-E505 HydrophobicContact CG2-CG 4.27Å; I501-E505 WeakPolarHBondContact O-CG 3.33Å; I501-E505 PolarHBondContact O-N 2.87Å; E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 3.03Å; E505-S509 VanDerWaalsContact O-N 3.11Å |
| 506 | Q | 91.6 | Very high | 90.1 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -55.2 | 172.9 | -177.8 | -177.9 | -18.7 | 0 | 0 | 111.3 | T502 K503 L504 E508 S509 E510 | T502-Q506 PolarHBondContact O-N 3.36Å; T502-Q506 VanDerWaalsContact O-N 3.12Å; K503-Q506 PolarHBondContact O-N 2.86Å; L504-Q506 VanDerWaalsContact C-N 3.33Å; L504-Q506 PolarHBondContact O-N 3.23Å; Q506-E508 VanDerWaalsContact C-N 3.33Å; Q506-E508 PolarHBondContact O-N 3.03Å; Q506-S509 WeakPolarHBondContact O-CA 3.28Å; Q506-S509 WeakPolarHBondContact O-CB 3.27Å; Q506-S509 PolarHBondContact O-N 3.35Å; Q506-S509 PolarHBondContact O-OG 2.87Å; Q506-E510 WeakPolarHBondContact CG-OE1 3.43Å; Q506-E510 PolarHBondContact NE2-OE1 2.75Å; Q506-E510 PolarHBondContact O-N 3.25Å |
| 507 | A | 91.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -37.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K503 L504 E510 L511 I534 V538 L541 | K503-A507 WeakPolarHBondContact O-CB 3.39Å; K503-A507 PolarHBondContact O-N 2.84Å; L504-A507 PolarHBondContact O-N 3.14Å; A507-E510 PolarHBondContact O-N 2.84Å; A507-L511 VanDerWaalsContact O-CB 3.32Å; A507-L511 WeakPolarHBondContact O-CB 3.49Å; A507-L511 PolarHBondContact O-N 3.28Å; A507-I534 HydrophobicContact CB-CG2 4.32Å; A507-I534 VanDerWaalsContact O-CG2 3.26Å; A507-I534 WeakPolarHBondContact O-CG2 3.35Å; A507-V538 HydrophobicContact CB-CG2 3.63Å; A507-L541 HydrophobicContact CB-CD1 4.11Å |
| 508 | E | 91.7 | Very high | 89.5 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.9 | -32.8 | 173.5 | -71.5 | -172.4 | 159.6 | 0 | 0 | 112.2 | L504 Q506 H512 V538 R542 | L504-E508 HydrophobicContact CD1-CG 3.88Å; L504-E508 HydrophobicContact CG-CG 4.34Å; L504-E508 WeakPolarHBondContact O-CB 3.39Å; L504-E508 WeakPolarHBondContact O-CG 3.43Å; L504-E508 PolarHBondContact O-N 3.12Å; Q506-E508 VanDerWaalsContact C-N 3.33Å; Q506-E508 PolarHBondContact O-N 3.03Å; E508-H512 VanDerWaalsContact O-CB 3.29Å; E508-H512 WeakPolarHBondContact O-CB 3.28Å; E508-H512 PolarHBondContact O-N 2.77Å; E508-V538 HydrophobicContact CG-CG1 3.84Å; E508-V538 HydrophobicContact CG-CG2 3.92Å; E508-R542 IonicContact OE1-CZ 2.65Å; E508-R542 IonicContact OE1-NE 3.94Å; E508-R542 PolarHBondContact OE1-NE 2.96Å; E508-R542 IonicContact OE1-NH2 3.92Å; E508-R542 PolarHBondContact OE1-NH2 2.9Å |
| 509 | S | 91.4 | Very high | 89.1 | Confident | 71 Ų | 71 | 67 Ų | 67 | 50% | 0.497 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 173.7 | 81.4 | 0 | 0 | 0 | 0 | 112.7 | E505 Q506 H512 H513 | E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 3.03Å; E505-S509 VanDerWaalsContact O-N 3.11Å; Q506-S509 WeakPolarHBondContact O-CA 3.28Å; Q506-S509 WeakPolarHBondContact O-CB 3.27Å; Q506-S509 PolarHBondContact O-N 3.35Å; Q506-S509 PolarHBondContact O-OG 2.87Å; S509-H512 PolarHBondContact O-N 3.11Å; S509-H513 PolarHBondContact O-N 3.33Å |
| 510 | E | 91.2 | Very high | 88.7 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 176 | -67 | 176.1 | -161.9 | 0 | 0 | 111.1 | Q506 A507 H512 H513 L514 I534 | Q506-E510 WeakPolarHBondContact CG-OE1 3.43Å; Q506-E510 PolarHBondContact NE2-OE1 2.75Å; Q506-E510 PolarHBondContact O-N 3.25Å; A507-E510 PolarHBondContact O-N 2.84Å; E510-H512 PolarHBondContact O-N 2.71Å; E510-H513 WeakPolarHBondContact O-CB 3.45Å; E510-H513 PolarHBondContact O-N 3.25Å; E510-L514 PolarHBondContact O-N 3.47Å; E510-I534 HydrophobicContact CB-CD1 3.88Å |
| 511 | L | 91.4 | Very high | 88.2 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 172.8 | -164.6 | 157.7 | 0 | 0 | 0 | 111.1 | A507 H513 L514 H515 Y531 I534 V538 | A507-L511 VanDerWaalsContact O-CB 3.32Å; A507-L511 WeakPolarHBondContact O-CB 3.49Å; A507-L511 PolarHBondContact O-N 3.28Å; L511-H513 VanDerWaalsContact C-N 3.31Å; L511-H513 PolarHBondContact O-N 2.96Å; L511-L514 PolarHBondContact O-N 3.23Å; L511-H515 WeakPolarHBondContact O-CB 3.43Å; L511-H515 PolarHBondContact O-N 3.26Å; L511-Y531 HydrophobicContact CD2-CE2 4.08Å; L511-Y531 HydrophobicContact CG-CE2 4.29Å; L511-I534 HydrophobicContact CB-CG2 3.88Å; L511-I534 HydrophobicContact CD1-CG2 4.45Å; L511-V538 HydrophobicContact CD1-CB 4.3Å; L511-V538 HydrophobicContact CD1-CG2 3.96Å |
| 512 | H | 90.2 | Very high | 87.8 | Confident | 128 Ų | 128 | 76 Ų | 76 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.9 | -34.4 | 176.9 | -170.2 | -90.7 | 0 | 0 | 0 | 112.3 | E508 S509 E510 S516 | E508-H512 VanDerWaalsContact O-CB 3.29Å; E508-H512 WeakPolarHBondContact O-CB 3.28Å; E508-H512 PolarHBondContact O-N 2.77Å; S509-H512 PolarHBondContact O-N 3.11Å; E510-H512 PolarHBondContact O-N 2.71Å; H512-S516 WeakPolarHBondContact O-CB 3.29Å; H512-S516 PolarHBondContact O-N 2.88Å |
| 513 | H | 90.3 | Very high | 87.6 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 172.5 | 179.7 | -140.2 | 0 | 0 | 0 | 112 | S509 E510 L511 H515 S516 L517 | S509-H513 PolarHBondContact O-N 3.33Å; E510-H513 WeakPolarHBondContact O-CB 3.45Å; E510-H513 PolarHBondContact O-N 3.25Å; L511-H513 VanDerWaalsContact C-N 3.31Å; L511-H513 PolarHBondContact O-N 2.96Å; H513-H515 VanDerWaalsContact C-N 3.34Å; H513-H515 PolarHBondContact O-N 3.19Å; H513-S516 WeakPolarHBondContact O-CB 3.29Å; H513-S516 PolarHBondContact O-N 3.37Å; H513-L517 PolarHBondContact O-N 2.84Å |
| 514 | L | 88.4 | Confident | 87.3 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.089 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 175.4 | -70 | 176.4 | 0 | 0 | 0 | 112.4 | E510 L511 L517 S518 Q527 E530 Y531 I534 | E510-L514 PolarHBondContact O-N 3.47Å; L511-L514 PolarHBondContact O-N 3.23Å; L514-L517 HydrophobicContact CD2-CD1 4.25Å; L514-L517 WeakPolarHBondContact O-CB 3.42Å; L514-L517 PolarHBondContact O-N 3.39Å; L514-S518 PolarHBondContact O-N 2.97Å; L514-Q527 HydrophobicContact CD2-CB 4.44Å; L514-Q527 HydrophobicContact CD2-CG 4.4Å; L514-E530 HydrophobicContact CD1-CB 4.23Å; L514-E530 HydrophobicContact CD1-CG 4.01Å; L514-Y531 HydrophobicContact CB-CD2 4.07Å; L514-I534 HydrophobicContact CD1-CD1 3.98Å |
| 515 | H | 87.2 | Confident | 87 | Confident | 77 Ų | 77 | 74.6 Ų | 74.6 | 36% | 0.356 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.6 | -177.4 | -132.9 | 0 | 0 | 0 | 111.9 | L511 H513 L517 S518 Q519 | L511-H515 WeakPolarHBondContact O-CB 3.43Å; L511-H515 PolarHBondContact O-N 3.26Å; H513-H515 VanDerWaalsContact C-N 3.34Å; H513-H515 PolarHBondContact O-N 3.19Å; H515-L517 VanDerWaalsContact C-N 3.3Å; H515-L517 PolarHBondContact O-N 2.97Å; H515-S518 WeakPolarHBondContact O-CB 3.27Å; H515-S518 PolarHBondContact O-N 2.89Å; H515-S518 VanDerWaalsContact O-N 3.14Å; H515-Q519 PolarHBondContact CE1-NE2 2.81Å; H515-Q519 VanDerWaalsContact CE1-NE2 3.28Å; H515-Q519 PolarHBondContact NE2-NE2 3.49Å; H515-Q519 PolarHBondContact O-N 3.42Å; H515-Q519 VanDerWaalsContact O-N 3.07Å |
| 516 | S | 87.4 | Confident | 86.8 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.3 | -32.3 | 173.3 | -172.7 | 0 | 0 | 0 | 0 | 113 | H512 H513 K520 | H512-S516 WeakPolarHBondContact O-CB 3.29Å; H512-S516 PolarHBondContact O-N 2.88Å; H513-S516 WeakPolarHBondContact O-CB 3.29Å; H513-S516 PolarHBondContact O-N 3.37Å; S516-K520 WeakPolarHBondContact O-CD 3.27Å; S516-K520 WeakPolarHBondContact O-CG 3.41Å; S516-K520 PolarHBondContact OG-NZ 2.96Å |
| 517 | L | 84.9 | Confident | 86.7 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 28% | 0.277 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 170.5 | -72.3 | 163.7 | 0 | 0 | 0 | 111.1 | H513 L514 H515 Q519 K520 G521 L523 | H513-L517 PolarHBondContact O-N 2.84Å; L514-L517 HydrophobicContact CD2-CD1 4.25Å; L514-L517 WeakPolarHBondContact O-CB 3.42Å; L514-L517 PolarHBondContact O-N 3.39Å; H515-L517 VanDerWaalsContact C-N 3.3Å; H515-L517 PolarHBondContact O-N 2.97Å; L517-Q519 PolarHBondContact O-N 3.11Å; L517-K520 WeakPolarHBondContact O-CB 3.4Å; L517-K520 PolarHBondContact O-N 2.98Å; L517-G521 PolarHBondContact O-N 3.44Å; L517-L523 HydrophobicContact CB-CD2 3.84Å |
| 518 | S | 81.7 | Confident | 86.5 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.3 | -23.6 | 178.5 | -165.4 | 0 | 0 | 0 | 0 | 114.2 | L514 H515 G521 | L514-S518 PolarHBondContact O-N 2.97Å; H515-S518 WeakPolarHBondContact O-CB 3.27Å; H515-S518 PolarHBondContact O-N 2.89Å; H515-S518 VanDerWaalsContact O-N 3.14Å; S518-G521 CarbonylContact C-O 3.58Å; S518-G521 WeakPolarHBondContact CA-O 3.39Å; S518-G521 VanDerWaalsContact O-O 3.12Å |
| 519 | Q | 81 | Confident | 86.5 | Confident | 148 Ų | 148 | 79.6 Ų | 79.6 | 69% | 0.692 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.5 | 172.4 | -68.4 | -169.6 | 4.9 | 0 | 0 | 113.4 | H515 L517 | H515-Q519 PolarHBondContact CE1-NE2 2.81Å; H515-Q519 VanDerWaalsContact CE1-NE2 3.28Å; H515-Q519 PolarHBondContact NE2-NE2 3.49Å; H515-Q519 PolarHBondContact O-N 3.42Å; H515-Q519 VanDerWaalsContact O-N 3.07Å; L517-Q519 PolarHBondContact O-N 3.11Å |
| 520 | K | 80.5 | Confident | 86.4 | Confident | 160 Ų | 160 | 79.1 Ų | 79.1 | 70% | 0.696 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -14.3 | 177.4 | -68.7 | 163.7 | -176.4 | 154.7 | 0 | 112.9 | S516 L517 | S516-K520 WeakPolarHBondContact O-CD 3.27Å; S516-K520 WeakPolarHBondContact O-CG 3.41Å; S516-K520 PolarHBondContact OG-NZ 2.96Å; L517-K520 WeakPolarHBondContact O-CB 3.4Å; L517-K520 PolarHBondContact O-N 2.98Å |
| 521 | G | 80.2 | Confident | 86.4 | Confident | 31 Ų | 31 | 78.9 Ų | 78.9 | 32% | 0.32 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 168.8 | 173.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L517 S518 L523 | L517-G521 PolarHBondContact O-N 3.44Å; S518-G521 CarbonylContact C-O 3.58Å; S518-G521 WeakPolarHBondContact CA-O 3.39Å; S518-G521 VanDerWaalsContact O-O 3.12Å; G521-L523 PolarHBondContact O-N 3.08Å |
| 522 | P | 81.9 | Confident | 86.4 | Confident | 131 Ų | 131 | 83.5 Ų | 83.5 | 85% | 0.851 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 127.4 | 173.6 | 26.6 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 523 | L | 83.3 | Confident | 86.5 | Confident | 20 Ų | 20 | 82.2 Ų | 82.2 | 11% | 0.105 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 143.2 | 173.5 | -67.6 | -175.8 | 0 | 0 | 0 | 110.8 | L517 G521 Q527 Q528 | L517-L523 HydrophobicContact CB-CD2 3.84Å; G521-L523 PolarHBondContact O-N 3.08Å; L523-Q527 HydrophobicContact CB-CB 3.92Å; L523-Q527 HydrophobicContact CD1-CB 4.4Å; L523-Q527 HydrophobicContact CD2-CB 4.09Å; L523-Q527 HydrophobicContact CG-CB 4.36Å; L523-Q528 HydrophobicContact CB-CG 3.69Å |
| 524 | N | 86.1 | Confident | 86.7 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 163 | 170.9 | 78 | 44.4 | 0 | 0 | 0 | 111.1 | A526 Q527 Q528 | N524-A526 VanDerWaalsContact C-N 3.25Å; N524-A526 PolarHBondContact O-N 2.82Å; N524-A526 VanDerWaalsContact O-N 3.16Å; N524-A526 WeakPolarHBondContact OD1-CA 3.37Å; N524-A526 WeakPolarHBondContact OD1-CB 3.34Å; N524-A526 PolarHBondContact OD1-N 3.14Å; N524-Q527 PolarHBondContact ND2-OE1 3.21Å; N524-Q527 CarbonylContact O-C 3.58Å; N524-Q527 WeakPolarHBondContact O-CA 3.31Å; N524-Q527 WeakPolarHBondContact O-CB 3.34Å; N524-Q527 PolarHBondContact O-N 2.96Å; N524-Q527 PolarHBondContact OD1-N 2.71Å; N524-Q528 PolarHBondContact O-N 3.45Å |
| 525 | G | 84.7 | Confident | 86.8 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -58.6 | -31.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H529 | G525-H529 WeakPolarHBondContact O-CB 3.26Å; G525-H529 PolarHBondContact O-N 2.85Å |
| 526 | A | 87.6 | Confident | 87.1 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 62% | 0.62 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.8 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N524 H529 E530 | N524-A526 VanDerWaalsContact C-N 3.25Å; N524-A526 PolarHBondContact O-N 2.82Å; N524-A526 VanDerWaalsContact O-N 3.16Å; N524-A526 WeakPolarHBondContact OD1-CA 3.37Å; N524-A526 WeakPolarHBondContact OD1-CB 3.34Å; N524-A526 PolarHBondContact OD1-N 3.14Å; A526-H529 PolarHBondContact O-N 3.03Å; A526-E530 VanDerWaalsContact O-CB 3.3Å; A526-E530 WeakPolarHBondContact O-CB 3.46Å; A526-E530 PolarHBondContact O-N 2.89Å |
| 527 | Q | 88.6 | Confident | 87.4 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 25% | 0.252 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 173.9 | -70.6 | 169.3 | -31.6 | 0 | 0 | 112.6 | L514 L523 N524 Y531 | L514-Q527 HydrophobicContact CD2-CB 4.44Å; L514-Q527 HydrophobicContact CD2-CG 4.4Å; L523-Q527 HydrophobicContact CB-CB 3.92Å; L523-Q527 HydrophobicContact CD1-CB 4.4Å; L523-Q527 HydrophobicContact CD2-CB 4.09Å; L523-Q527 HydrophobicContact CG-CB 4.36Å; N524-Q527 PolarHBondContact ND2-OE1 3.21Å; N524-Q527 CarbonylContact O-C 3.58Å; N524-Q527 WeakPolarHBondContact O-CA 3.31Å; N524-Q527 WeakPolarHBondContact O-CB 3.34Å; N524-Q527 PolarHBondContact O-N 2.96Å; N524-Q527 PolarHBondContact OD1-N 2.71Å; Q527-Y531 VanDerWaalsContact O-CB 3.22Å; Q527-Y531 WeakPolarHBondContact O-CB 3.14Å; Q527-Y531 PolarHBondContact O-N 3.48Å |
| 528 | Q | 88 | Confident | 87.8 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.7 | -45.1 | 172.6 | -72 | -172.7 | -30.8 | 0 | 0 | 111.6 | L523 N524 E530 Y531 Q532 | L523-Q528 HydrophobicContact CB-CG 3.69Å; N524-Q528 PolarHBondContact O-N 3.45Å; Q528-E530 VanDerWaalsContact C-N 3.33Å; Q528-E530 PolarHBondContact O-N 2.86Å; Q528-Y531 PolarHBondContact O-N 3.23Å; Q528-Q532 PolarHBondContact O-N 3.44Å |
| 529 | H | 90 | Very high | 88.3 | Confident | 134 Ų | 134 | 75.3 Ų | 75.3 | 62% | 0.62 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 173.8 | -178.2 | -82.3 | 0 | 0 | 0 | 111.5 | G525 A526 Q532 R533 | G525-H529 WeakPolarHBondContact O-CB 3.26Å; G525-H529 PolarHBondContact O-N 2.85Å; A526-H529 PolarHBondContact O-N 3.03Å; H529-Q532 PolarHBondContact O-N 3.31Å; H529-R533 WeakPolarHBondContact O-CB 3.27Å; H529-R533 PolarHBondContact O-N 3.41Å |
| 530 | E | 89.6 | Confident | 88.9 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 28% | 0.28 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 179 | -168.1 | 64.9 | -180 | 0 | 0 | 112.5 | L514 A526 Q528 Q532 R533 I534 | L514-E530 HydrophobicContact CD1-CB 4.23Å; L514-E530 HydrophobicContact CD1-CG 4.01Å; A526-E530 VanDerWaalsContact O-CB 3.3Å; A526-E530 WeakPolarHBondContact O-CB 3.46Å; A526-E530 PolarHBondContact O-N 2.89Å; Q528-E530 VanDerWaalsContact C-N 3.33Å; Q528-E530 PolarHBondContact O-N 2.86Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-Q532 PolarHBondContact O-N 3.46Å; E530-R533 PolarHBondContact O-N 3.46Å; E530-R533 IonicContact OE1-CZ 2.71Å; E530-R533 VanDerWaalsContact OE1-CZ 3.29Å; E530-R533 IonicContact OE1-NE 2.67Å; E530-R533 PolarHBondContact OE1-NE 2.89Å; E530-R533 IonicContact OE1-NH2 2.69Å; E530-R533 PolarHBondContact OE1-NH2 2.96Å; E530-R533 WeakPolarHBondContact OE2-CD 3.36Å; E530-R533 IonicContact OE2-CZ 2.86Å; E530-R533 IonicContact OE2-NE 3.21Å; E530-R533 PolarHBondContact OE2-NE 3.27Å; E530-R533 IonicContact OE2-NH2 3.05Å; E530-I534 HydrophobicContact CG-CD1 3.9Å; E530-I534 HydrophobicContact CG-CG1 4.4Å; E530-I534 WeakPolarHBondContact O-CB 3.34Å; E530-I534 WeakPolarHBondContact O-CG1 3.32Å; E530-I534 PolarHBondContact O-N 3.49Å |
| 531 | Y | 91.3 | Very high | 89.5 | Confident | 61 Ų | 61 | 68.2 Ų | 68.2 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 171.4 | 179.9 | -93.4 | 0 | 0 | 0 | 111.2 | L511 L514 Q527 Q528 S535 | L511-Y531 HydrophobicContact CD2-CE2 4.08Å; L511-Y531 HydrophobicContact CG-CE2 4.29Å; L514-Y531 HydrophobicContact CB-CD2 4.07Å; Q527-Y531 VanDerWaalsContact O-CB 3.22Å; Q527-Y531 WeakPolarHBondContact O-CB 3.14Å; Q527-Y531 PolarHBondContact O-N 3.48Å; Q528-Y531 PolarHBondContact O-N 3.23Å; Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.32Å |
| 532 | Q | 90.8 | Very high | 90.1 | Very high | 134 Ų | 134 | 69.1 Ų | 69.1 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 176 | -166.5 | 65.2 | 19.2 | 0 | 0 | 112 | Q528 H529 E530 G536 | Q528-Q532 PolarHBondContact O-N 3.44Å; H529-Q532 PolarHBondContact O-N 3.31Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-Q532 PolarHBondContact O-N 3.46Å; Q532-G536 PolarHBondContact O-N 2.87Å |
| 533 | R | 93.8 | Very high | 90.6 | Very high | 100 Ų | 100 | 65.5 Ų | 65.5 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -53.2 | 176.3 | -169.5 | -166 | 70 | 68.7 | -3.3 | 111.3 | H529 E530 G536 E537 | H529-R533 WeakPolarHBondContact O-CB 3.27Å; H529-R533 PolarHBondContact O-N 3.41Å; E530-R533 PolarHBondContact O-N 3.46Å; E530-R533 IonicContact OE1-CZ 2.71Å; E530-R533 VanDerWaalsContact OE1-CZ 3.29Å; E530-R533 IonicContact OE1-NE 2.67Å; E530-R533 PolarHBondContact OE1-NE 2.89Å; E530-R533 IonicContact OE1-NH2 2.69Å; E530-R533 PolarHBondContact OE1-NH2 2.96Å; E530-R533 WeakPolarHBondContact OE2-CD 3.36Å; E530-R533 IonicContact OE2-CZ 2.86Å; E530-R533 IonicContact OE2-NE 3.21Å; E530-R533 PolarHBondContact OE2-NE 3.27Å; E530-R533 IonicContact OE2-NH2 3.05Å; R533-G536 PolarHBondContact O-N 2.91Å; R533-E537 IonicContact CZ-OE2 2.68Å; R533-E537 IonicContact NH1-OE2 3.84Å; R533-E537 PolarHBondContact NH1-OE2 3.37Å; R533-E537 PolarHBondContact O-N 3.44Å |
| 534 | I | 93.1 | Very high | 91 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | -177.5 | -62.8 | 176 | 0 | 0 | 0 | 110.8 | A507 E510 L511 L514 E530 G536 E537 V538 | A507-I534 HydrophobicContact CB-CG2 4.32Å; A507-I534 VanDerWaalsContact O-CG2 3.26Å; A507-I534 WeakPolarHBondContact O-CG2 3.35Å; E510-I534 HydrophobicContact CB-CD1 3.88Å; L511-I534 HydrophobicContact CB-CG2 3.88Å; L511-I534 HydrophobicContact CD1-CG2 4.45Å; L514-I534 HydrophobicContact CD1-CD1 3.98Å; E530-I534 HydrophobicContact CG-CD1 3.9Å; E530-I534 HydrophobicContact CG-CG1 4.4Å; E530-I534 WeakPolarHBondContact O-CB 3.34Å; E530-I534 WeakPolarHBondContact O-CG1 3.32Å; E530-I534 PolarHBondContact O-N 3.49Å; I534-G536 VanDerWaalsContact C-N 3.34Å; I534-G536 PolarHBondContact O-N 3.2Å; I534-E537 PolarHBondContact O-N 3.1Å; I534-V538 HydrophobicContact CG2-CG2 4.26Å; I534-V538 WeakPolarHBondContact O-CB 3.28Å; I534-V538 WeakPolarHBondContact O-CG2 3.11Å; I534-V538 PolarHBondContact O-N 2.79Å |
| 535 | S | 91.9 | Very high | 91.2 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | Y531 N539 | Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.32Å; S535-N539 WeakPolarHBondContact O-CB 3.48Å; S535-N539 PolarHBondContact O-N 3.12Å; S535-N539 VanDerWaalsContact O-N 3.11Å; S535-N539 PolarHBondContact O-ND2 2.7Å |
| 536 | G | 93.3 | Very high | 91.4 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q532 R533 I534 N539 Q540 | Q532-G536 PolarHBondContact O-N 2.87Å; R533-G536 PolarHBondContact O-N 2.91Å; I534-G536 VanDerWaalsContact C-N 3.34Å; I534-G536 PolarHBondContact O-N 3.2Å; G536-N539 PolarHBondContact O-N 3.24Å; G536-Q540 PolarHBondContact O-N 3.31Å |
| 537 | E | 92.7 | Very high | 91.6 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 179 | -176.2 | 165.8 | -163.7 | 0 | 0 | 112.5 | R533 I534 N539 Q540 L541 | R533-E537 IonicContact CZ-OE2 2.68Å; R533-E537 IonicContact NH1-OE2 3.84Å; R533-E537 PolarHBondContact NH1-OE2 3.37Å; R533-E537 PolarHBondContact O-N 3.44Å; I534-E537 PolarHBondContact O-N 3.1Å; E537-N539 VanDerWaalsContact C-N 3.34Å; E537-N539 PolarHBondContact O-N 2.83Å; E537-Q540 PolarHBondContact O-N 3.39Å; E537-L541 HydrophobicContact CG-CD1 3.86Å; E537-L541 HydrophobicContact CG-CG 4.41Å; E537-L541 WeakPolarHBondContact O-CB 3.32Å; E537-L541 VanDerWaalsContact O-CG 3.27Å; E537-L541 WeakPolarHBondContact O-CG 3.38Å; E537-L541 PolarHBondContact O-N 3Å |
| 538 | V | 93.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.1 | 166.7 | 0 | 0 | 0 | 0 | 111 | L504 A507 E508 L511 I534 L541 R542 | L504-V538 HydrophobicContact CD1-CG1 4.01Å; A507-V538 HydrophobicContact CB-CG2 3.63Å; E508-V538 HydrophobicContact CG-CG1 3.84Å; E508-V538 HydrophobicContact CG-CG2 3.92Å; L511-V538 HydrophobicContact CD1-CB 4.3Å; L511-V538 HydrophobicContact CD1-CG2 3.96Å; I534-V538 HydrophobicContact CG2-CG2 4.26Å; I534-V538 WeakPolarHBondContact O-CB 3.28Å; I534-V538 WeakPolarHBondContact O-CG2 3.11Å; I534-V538 PolarHBondContact O-N 2.79Å; V538-L541 PolarHBondContact O-N 3.22Å; V538-R542 HydrophobicContact CG1-CG 4.45Å; V538-R542 WeakPolarHBondContact O-CB 3.36Å; V538-R542 VanDerWaalsContact O-CG 3.28Å; V538-R542 WeakPolarHBondContact O-CG 3.44Å; V538-R542 PolarHBondContact O-N 3.36Å |
| 539 | N | 93 | Very high | 91.6 | Very high | 84 Ų | 84 | 59.8 Ų | 59.8 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 177.4 | -76.6 | -54.7 | 0 | 0 | 0 | 112.3 | S535 G536 E537 R542 A543 | S535-N539 WeakPolarHBondContact O-CB 3.48Å; S535-N539 PolarHBondContact O-N 3.12Å; S535-N539 VanDerWaalsContact O-N 3.11Å; S535-N539 PolarHBondContact O-ND2 2.7Å; G536-N539 PolarHBondContact O-N 3.24Å; E537-N539 VanDerWaalsContact C-N 3.34Å; E537-N539 PolarHBondContact O-N 2.83Å; N539-R542 PolarHBondContact O-N 3.17Å; N539-A543 WeakPolarHBondContact O-CB 3.38Å; N539-A543 PolarHBondContact O-N 3.15Å |
| 540 | Q | 93.6 | Very high | 91.5 | Very high | 138 Ų | 138 | 56.9 Ų | 56.9 | 65% | 0.645 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 175.3 | -171.4 | 179.3 | 17.6 | 0 | 0 | 112.2 | G536 E537 A543 T544 | G536-Q540 PolarHBondContact O-N 3.31Å; E537-Q540 PolarHBondContact O-N 3.39Å; Q540-A543 PolarHBondContact O-N 3.27Å; Q540-T544 WeakPolarHBondContact O-CB 3.48Å; Q540-T544 PolarHBondContact O-N 2.97Å; Q540-T544 PolarHBondContact O-OG1 2.97Å |
| 541 | L | 93.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.6 | -72.4 | 167.4 | 0 | 0 | 0 | 111.3 | K503 L504 A507 E537 V538 A543 T544 V545 | K503-L541 HydrophobicContact CB-CD1 4.1Å; K503-L541 HydrophobicContact CB-CD2 4Å; L504-L541 HydrophobicContact CB-CB 4.26Å; L504-L541 HydrophobicContact CD1-CB 3.95Å; A507-L541 HydrophobicContact CB-CD1 4.11Å; E537-L541 HydrophobicContact CG-CD1 3.86Å; E537-L541 HydrophobicContact CG-CG 4.41Å; E537-L541 WeakPolarHBondContact O-CB 3.32Å; E537-L541 VanDerWaalsContact O-CG 3.27Å; E537-L541 WeakPolarHBondContact O-CG 3.38Å; E537-L541 PolarHBondContact O-N 3Å; V538-L541 PolarHBondContact O-N 3.22Å; L541-A543 PolarHBondContact O-N 3.47Å; L541-T544 CarbonylContact O-C 3.58Å; L541-T544 WeakPolarHBondContact O-CB 3.35Å; L541-T544 PolarHBondContact O-N 2.86Å; L541-T544 VanDerWaalsContact O-N 3.15Å; L541-V545 WeakPolarHBondContact O-CG2 3.4Å; L541-V545 PolarHBondContact O-N 2.96Å |
| 542 | R | 92.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 173.8 | -73.6 | 172.5 | 174.9 | -161.7 | -1 | 112.4 | L504 E508 V538 N539 T544 V545 H546 D658 | L504-R542 HydrophobicContact CD1-CG 3.79Å; L504-R542 HydrophobicContact CD2-CG 4.02Å; E508-R542 IonicContact OE1-CZ 2.65Å; E508-R542 IonicContact OE1-NE 3.94Å; E508-R542 PolarHBondContact OE1-NE 2.96Å; E508-R542 IonicContact OE1-NH2 3.92Å; E508-R542 PolarHBondContact OE1-NH2 2.9Å; V538-R542 HydrophobicContact CG1-CG 4.45Å; V538-R542 WeakPolarHBondContact O-CB 3.36Å; V538-R542 VanDerWaalsContact O-CG 3.28Å; V538-R542 WeakPolarHBondContact O-CG 3.44Å; V538-R542 PolarHBondContact O-N 3.36Å; N539-R542 PolarHBondContact O-N 3.17Å; R542-T544 VanDerWaalsContact C-N 3.3Å; R542-T544 PolarHBondContact O-N 3.01Å; R542-V545 PolarHBondContact O-N 3.23Å; R542-H546 WeakPolarHBondContact O-CB 3.5Å; R542-H546 PolarHBondContact O-N 3.37Å; R542-D658 IonicContact CZ-OD1 3.66Å; R542-D658 IonicContact NH1-OD1 2.63Å; R542-D658 PolarHBondContact NH1-OD1 3.11Å; R542-D658 IonicContact NH1-OD2 2.73Å |
| 543 | A | 92 | Very high | 90.4 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | N539 Q540 L541 T547 | N539-A543 WeakPolarHBondContact O-CB 3.38Å; N539-A543 PolarHBondContact O-N 3.15Å; Q540-A543 PolarHBondContact O-N 3.27Å; L541-A543 PolarHBondContact O-N 3.47Å; A543-T547 WeakPolarHBondContact O-CB 3.28Å; A543-T547 PolarHBondContact O-N 3.16Å; A543-T547 PolarHBondContact O-OG1 3.28Å |
| 544 | T | 92.3 | Very high | 89.6 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68 | -46.2 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | Q540 L541 R542 H546 T547 L548 | Q540-T544 WeakPolarHBondContact O-CB 3.48Å; Q540-T544 PolarHBondContact O-N 2.97Å; Q540-T544 PolarHBondContact O-OG1 2.97Å; L541-T544 CarbonylContact O-C 3.58Å; L541-T544 WeakPolarHBondContact O-CB 3.35Å; L541-T544 PolarHBondContact O-N 2.86Å; L541-T544 VanDerWaalsContact O-N 3.15Å; R542-T544 VanDerWaalsContact C-N 3.3Å; R542-T544 PolarHBondContact O-N 3.01Å; T544-H546 PolarHBondContact O-N 3.26Å; T544-T547 PolarHBondContact O-N 2.86Å; T544-L548 HydrophobicContact CG2-CD1 3.96Å; T544-L548 HydrophobicContact CG2-CG 4.45Å; T544-L548 WeakPolarHBondContact O-CB 3.29Å; T544-L548 WeakPolarHBondContact O-CG 3.41Å; T544-L548 PolarHBondContact O-N 3.14Å |
| 545 | V | 90.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.1 | -47.7 | 173.9 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | L476 L497 C500 I501 L504 L541 R542 T547 L548 K549 | L476-V545 HydrophobicContact CD1-CG1 4.26Å; L476-V545 HydrophobicContact CD2-CG1 3.73Å; L497-V545 HydrophobicContact CD1-CB 4.33Å; L497-V545 HydrophobicContact CD1-CG1 3.95Å; L497-V545 HydrophobicContact CD1-CG2 4.22Å; C500-V545 HydrophobicContact CB-CG2 4.13Å; I501-V545 HydrophobicContact CG1-CG2 4.48Å; L504-V545 HydrophobicContact CD2-CG2 4.28Å; L541-V545 WeakPolarHBondContact O-CG2 3.4Å; L541-V545 PolarHBondContact O-N 2.96Å; R542-V545 PolarHBondContact O-N 3.23Å; V545-T547 VanDerWaalsContact C-N 3.35Å; V545-T547 PolarHBondContact O-N 3.47Å; V545-L548 PolarHBondContact O-N 2.92Å; V545-K549 VanDerWaalsContact O-CB 3.26Å; V545-K549 WeakPolarHBondContact O-CB 3.25Å; V545-K549 PolarHBondContact O-N 3.2Å |
| 546 | H | 89.4 | Confident | 87.1 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.486 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 176.4 | 179.3 | -125.8 | 0 | 0 | 0 | 111.7 | R542 T544 K549 N550 | R542-H546 WeakPolarHBondContact O-CB 3.5Å; R542-H546 PolarHBondContact O-N 3.37Å; T544-H546 PolarHBondContact O-N 3.26Å; H546-K549 PolarHBondContact O-N 3.19Å; H546-N550 PolarHBondContact CD2-ND2 2.96Å; H546-N550 PolarHBondContact CE1-ND2 3.37Å; H546-N550 PolarHBondContact NE2-ND2 2.84Å; H546-N550 WeakPolarHBondContact O-CB 3.22Å; H546-N550 PolarHBondContact O-N 3.3Å; H546-N550 PolarHBondContact O-ND2 3.38Å |
| 547 | T | 91.1 | Very high | 85.7 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112 | A543 T544 V545 N550 H551 | A543-T547 WeakPolarHBondContact O-CB 3.28Å; A543-T547 PolarHBondContact O-N 3.16Å; A543-T547 PolarHBondContact O-OG1 3.28Å; T544-T547 PolarHBondContact O-N 2.86Å; V545-T547 VanDerWaalsContact C-N 3.35Å; V545-T547 PolarHBondContact O-N 3.47Å; T547-N550 PolarHBondContact O-N 2.88Å; T547-H551 PolarHBondContact O-N 2.82Å; T547-H551 VanDerWaalsContact O-N 3.07Å; T547-H551 PolarHBondContact O-ND1 2.91Å |
| 548 | L | 90.3 | Very high | 84 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -45 | 178 | -70.7 | 169 | 0 | 0 | 0 | 111.8 | Q496 L497 C500 T544 V545 N550 H551 I552 | Q496-L548 HydrophobicContact CB-CD1 4.32Å; Q496-L548 HydrophobicContact CB-CD2 4.39Å; Q496-L548 HydrophobicContact CG-CD1 3.98Å; Q496-L548 HydrophobicContact CG-CD2 4.25Å; L497-L548 HydrophobicContact CB-CB 4.32Å; L497-L548 HydrophobicContact CB-CD1 4.31Å; L497-L548 HydrophobicContact CD1-CB 4.31Å; C500-L548 HydrophobicContact CB-CD1 4.32Å; T544-L548 HydrophobicContact CG2-CD1 3.96Å; T544-L548 HydrophobicContact CG2-CG 4.45Å; T544-L548 WeakPolarHBondContact O-CB 3.29Å; T544-L548 WeakPolarHBondContact O-CG 3.41Å; T544-L548 PolarHBondContact O-N 3.14Å; V545-L548 PolarHBondContact O-N 2.92Å; L548-N550 VanDerWaalsContact C-N 3.29Å; L548-N550 PolarHBondContact O-N 3.38Å; L548-H551 PolarHBondContact O-N 3.41Å; L548-I552 WeakPolarHBondContact O-CG1 3.39Å; L548-I552 PolarHBondContact O-N 3.28Å |
| 549 | K | 87 | Confident | 82.2 | Confident | 41 Ų | 41 | 55 Ų | 55 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.3 | -43.8 | 173.2 | 176.2 | 172.9 | 173.2 | 171.3 | 0 | 111.6 | G475 L476 V545 H546 I552 N553 | G475-K549 WeakPolarHBondContact O-CE 3.46Å; G475-K549 PolarHBondContact O-NZ 3.49Å; L476-K549 HydrophobicContact CD2-CD 4.34Å; V545-K549 VanDerWaalsContact O-CB 3.26Å; V545-K549 WeakPolarHBondContact O-CB 3.25Å; V545-K549 PolarHBondContact O-N 3.2Å; H546-K549 PolarHBondContact O-N 3.19Å; K549-I552 PolarHBondContact O-N 2.93Å; K549-N553 WeakPolarHBondContact O-CB 3.15Å; K549-N553 PolarHBondContact O-N 3.43Å; K549-N553 PolarHBondContact O-ND2 3.17Å |
| 550 | N | 86.6 | Confident | 80.2 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 178.3 | -70.9 | -19 | 0 | 0 | 0 | 112.7 | H546 T547 L548 N553 A554 | H546-N550 PolarHBondContact CD2-ND2 2.96Å; H546-N550 PolarHBondContact CE1-ND2 3.37Å; H546-N550 PolarHBondContact NE2-ND2 2.84Å; H546-N550 WeakPolarHBondContact O-CB 3.22Å; H546-N550 PolarHBondContact O-N 3.3Å; H546-N550 PolarHBondContact O-ND2 3.38Å; T547-N550 PolarHBondContact O-N 2.88Å; L548-N550 VanDerWaalsContact C-N 3.29Å; L548-N550 PolarHBondContact O-N 3.38Å; N550-N553 PolarHBondContact O-N 3.12Å; N550-A554 VanDerWaalsContact O-CB 3.28Å; N550-A554 WeakPolarHBondContact O-CB 3.32Å; N550-A554 PolarHBondContact O-N 3.3Å |
| 551 | H | 85.5 | Confident | 78 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 39% | 0.389 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 173.4 | -74.6 | 91.9 | 0 | 0 | 0 | 113 | K493 T547 L548 N553 A554 H555 | K493-H551 HydrophobicContact CD-CB 4.03Å; T547-H551 PolarHBondContact O-N 2.82Å; T547-H551 VanDerWaalsContact O-N 3.07Å; T547-H551 PolarHBondContact O-ND1 2.91Å; L548-H551 PolarHBondContact O-N 3.41Å; H551-N553 VanDerWaalsContact C-N 3.34Å; H551-A554 PolarHBondContact O-N 2.91Å; H551-H555 PolarHBondContact O-CD2 2.99Å; H551-H555 PolarHBondContact O-N 3.46Å |
| 552 | I | 83.7 | Confident | 75.8 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 177.1 | -66.8 | 163.1 | 0 | 0 | 0 | 110.5 | L481 T490 K493 L494 L497 L548 K549 T556 | L481-I552 HydrophobicContact CD1-CG2 3.61Å; L481-I552 HydrophobicContact CD2-CG2 4.41Å; T490-I552 HydrophobicContact CG2-CG1 4.48Å; T490-I552 HydrophobicContact CG2-CG2 4.17Å; K493-I552 HydrophobicContact CB-CD1 4.37Å; K493-I552 HydrophobicContact CB-CG1 4.03Å; L494-I552 HydrophobicContact CB-CD1 4.38Å; L497-I552 HydrophobicContact CB-CD1 4.28Å; L497-I552 HydrophobicContact CD2-CD1 3.77Å; L548-I552 WeakPolarHBondContact O-CG1 3.39Å; L548-I552 PolarHBondContact O-N 3.28Å; K549-I552 PolarHBondContact O-N 2.93Å; I552-T556 WeakPolarHBondContact O-CG2 3.37Å; I552-T556 PolarHBondContact O-N 3.06Å; I552-T556 PolarHBondContact O-OG1 3.42Å |
| 553 | N | 80.4 | Confident | 73.8 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.193 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 174.2 | -77.7 | -22.6 | 0 | 0 | 0 | 112.8 | E478 K549 N550 H551 T556 A557 R560 | E478-N553 PolarHBondContact OE1-OD1 2.9Å; K549-N553 WeakPolarHBondContact O-CB 3.15Å; K549-N553 PolarHBondContact O-N 3.43Å; K549-N553 PolarHBondContact O-ND2 3.17Å; N550-N553 PolarHBondContact O-N 3.12Å; H551-N553 VanDerWaalsContact C-N 3.34Å; N553-T556 CarbonylContact O-C 3.6Å; N553-T556 PolarHBondContact O-N 3.34Å; N553-T556 PolarHBondContact O-OG1 3.28Å; N553-A557 PolarHBondContact O-N 3.11Å; N553-R560 PolarHBondContact OD1-NH2 3.32Å |
| 554 | A | 77.3 | Confident | 71.7 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.4 | -46.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N550 H551 T556 A557 P558 | N550-A554 VanDerWaalsContact O-CB 3.28Å; N550-A554 WeakPolarHBondContact O-CB 3.32Å; N550-A554 PolarHBondContact O-N 3.3Å; H551-A554 PolarHBondContact O-N 2.91Å; A554-T556 PolarHBondContact O-N 3.32Å; A554-A557 PolarHBondContact O-N 3.13Å; A554-P558 WeakPolarHBondContact O-CD 3.43Å |
| 555 | H | 67.1 | Low | 69.4 | Low | 86 Ų | 86 | 69.8 Ų | 69.8 | 40% | 0.398 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -21.9 | 175.8 | -86.4 | -60.8 | 0 | 0 | 0 | 114.1 | E489 K493 H551 | E489-H555 IonicContact OE1-CD2 3.74Å; E489-H555 IonicContact OE1-CE1 3.66Å; E489-H555 CovalentContact OE1-NE2 1.77Å; E489-H555 IonicContact OE1-NE2 1.77Å; E489-H555 PolarHBondContact OE1-NE2 3.37Å; E489-H555 IonicContact OE2-CE1 2.77Å; E489-H555 PolarHBondContact OE2-CE1 2.9Å; E489-H555 IonicContact OE2-NE2 2.63Å; E489-H555 PolarHBondContact OE2-NE2 2.86Å; K493-H555 PolarHBondContact NZ-NE2 2.9Å; H551-H555 PolarHBondContact O-CD2 2.99Å; H551-H555 PolarHBondContact O-N 3.46Å |
| 556 | T | 65.2 | Low | 66.8 | Low | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -104.7 | -7.8 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | L481 I552 N553 A554 P558 I559 R560 | L481-T556 HydrophobicContact CD2-CG2 3.19Å; I552-T556 WeakPolarHBondContact O-CG2 3.37Å; I552-T556 PolarHBondContact O-N 3.06Å; I552-T556 PolarHBondContact O-OG1 3.42Å; N553-T556 CarbonylContact O-C 3.6Å; N553-T556 PolarHBondContact O-N 3.34Å; N553-T556 PolarHBondContact O-OG1 3.28Å; A554-T556 PolarHBondContact O-N 3.32Å; T556-P558 VanDerWaalsContact C-CD 3.47Å; T556-I559 HydrophobicContact CG2-CD1 4.33Å; T556-I559 WeakPolarHBondContact O-CB 3.49Å; T556-I559 PolarHBondContact O-N 3.37Å; T556-R560 WeakPolarHBondContact O-CG 3.39Å; T556-R560 PolarHBondContact O-N 2.88Å; T556-R560 PolarHBondContact OG1-NH2 2.87Å |
| 557 | A | 62.6 | Low | 64.2 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58 | -37.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N553 A554 I559 R560 K561 | N553-A557 PolarHBondContact O-N 3.11Å; A554-A557 PolarHBondContact O-N 3.13Å; A557-I559 VanDerWaalsContact C-N 3.32Å; A557-I559 PolarHBondContact O-N 2.91Å; A557-R560 PolarHBondContact O-N 3.11Å; A557-K561 PolarHBondContact O-N 2.61Å |
| 558 | P | 57.6 | Low | 61.6 | Low | 86 Ų | 86 | 79.1 Ų | 79.1 | 56% | 0.558 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.5 | -39.5 | 173.3 | -23.5 | 34.4 | 0 | 0 | 0 | 112.7 | A554 T556 R560 K561 | A554-P558 WeakPolarHBondContact O-CD 3.43Å; T556-P558 VanDerWaalsContact C-CD 3.47Å; P558-R560 VanDerWaalsContact C-N 3.27Å; P558-R560 PolarHBondContact O-N 3.02Å; P558-K561 PolarHBondContact O-N 2.78Å |
| 559 | I | 54.7 | Low | 59.1 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 23% | 0.231 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68 | -27.1 | -178.7 | -57.9 | 175.4 | 0 | 0 | 0 | 111.6 | Q484 T556 A557 S562 | Q484-I559 VanDerWaalsContact NE2-CG2 3.27Å; Q484-I559 VanDerWaalsContact OE1-CG2 3.25Å; T556-I559 HydrophobicContact CG2-CD1 4.33Å; T556-I559 WeakPolarHBondContact O-CB 3.49Å; T556-I559 PolarHBondContact O-N 3.37Å; A557-I559 VanDerWaalsContact C-N 3.32Å; A557-I559 PolarHBondContact O-N 2.91Å; I559-S562 PolarHBondContact O-OG 3.26Å |
| 560 | R | 52.2 | Low | 56.5 | Low | 87 Ų | 87 | 88.1 Ų | 88.1 | 33% | 0.328 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.7 | -40.3 | 176.3 | -63.3 | 170.8 | -151.1 | -154.2 | 6.3 | 111.9 | E478 H480 N553 T556 A557 P558 S562 R563 | E478-R560 IonicContact OE1-CZ 3.24Å; E478-R560 VanDerWaalsContact OE1-CZ 3.24Å; E478-R560 IonicContact OE1-NH1 2.67Å; E478-R560 PolarHBondContact OE1-NH1 2.85Å; E478-R560 IonicContact OE1-NH2 3.01Å; E478-R560 PolarHBondContact OE1-NH2 2.79Å; E478-R560 IonicContact OE2-CZ 3.95Å; E478-R560 IonicContact OE2-NH1 3.37Å; E478-R560 PolarHBondContact OE2-NH1 2.85Å; H480-R560 PolarHBondContact CE1-NH2 3.37Å; H480-R560 VanDerWaalsContact CE1-NH2 3.32Å; H480-R560 PolarHBondContact NE2-NE 2.8Å; N553-R560 PolarHBondContact OD1-NH2 3.32Å; T556-R560 WeakPolarHBondContact O-CG 3.39Å; T556-R560 PolarHBondContact O-N 2.88Å; T556-R560 PolarHBondContact OG1-NH2 2.87Å; A557-R560 PolarHBondContact O-N 3.11Å; P558-R560 VanDerWaalsContact C-N 3.27Å; P558-R560 PolarHBondContact O-N 3.02Å; R560-S562 VanDerWaalsContact C-N 3.33Å; R560-S562 PolarHBondContact O-N 3.43Å; R560-R563 PolarHBondContact O-N 3.18Å |
| 561 | K | 47.6 | Very low | 53.9 | Low | 162 Ų | 162 | 88.4 Ų | 88.4 | 70% | 0.704 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.8 | -27.6 | -178 | -71 | -175.3 | 177.5 | -178.1 | 0 | 114 | A557 P558 R563 S564 S565 | A557-K561 PolarHBondContact O-N 2.61Å; P558-K561 PolarHBondContact O-N 2.78Å; K561-R563 VanDerWaalsContact C-N 3.35Å; K561-S564 PolarHBondContact O-OG 2.69Å; K561-S565 PolarHBondContact O-OG 3.05Å |
| 562 | S | 47.2 | Very low | 51.3 | Low | 90 Ų | 90 | 87.8 Ų | 87.8 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -13.7 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | I559 R560 | I559-S562 PolarHBondContact O-OG 3.26Å; R560-S562 VanDerWaalsContact C-N 3.33Å; R560-S562 PolarHBondContact O-N 3.43Å |
| 563 | R | 49.4 | Very low | 49 | Very low | 173 Ų | 173 | 96 Ų | 96 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -19.9 | 176.5 | -73.7 | -171.1 | 172.4 | -170.2 | -1 | 114.6 | R560 K561 | R560-R563 PolarHBondContact O-N 3.18Å; K561-R563 VanDerWaalsContact C-N 3.35Å |
| 564 | S | 47.9 | Very low | 46.7 | Very low | 95 Ų | 95 | 97.5 Ų | 97.5 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -9 | -177.8 | 51.5 | 0 | 0 | 0 | 0 | 115.2 | K561 | K561-S564 PolarHBondContact O-OG 2.69Š|
| 565 | S | 43.4 | Very low | 44.7 | Very low | 101 Ų | 101 | 101 Ų | 101 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 12.8 | -164.6 | -48.7 | 0 | 0 | 0 | 0 | 114.5 | K561 | K561-S565 PolarHBondContact O-OG 3.05Š|
| 566 | G | 36.6 | Very low | 43 | Very low | 72 Ų | 72 | 102.4 Ų | 102.4 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -110.7 | 10.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 567 | L | 33.9 | Very low | 41.6 | Very low | 164 Ų | 164 | 107.7 Ų | 107.7 | 86% | 0.859 | 71% | 0.706 | S | S | * | * | trans | -133.2 | 40.7 | -162.6 | -128.5 | 164.9 | 0 | 0 | 0 | 114.2 | ||||
| 568 | V | 38.2 | Very low | 40.4 | Very low | 143 Ų | 143 | 110.6 Ų | 110.6 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -137 | 61.3 | 175 | -163.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 569 | V | 36.3 | Very low | 39.4 | Very low | 153 Ų | 153 | 112.1 Ų | 112.1 | 93% | 0.927 | 74% | 0.737 | S | S | * | * | trans | -137.4 | 105.7 | 163.1 | -178.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 570 | G | 33.1 | Very low | 38.3 | Very low | 88 Ų | 88 | 115 Ų | 115 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | trans | -170.8 | 38.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 571 | G | 31.3 | Very low | 37.4 | Very low | 79 Ų | 79 | 117 Ų | 117 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 166.4 | 123.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 572 | G | 32.3 | Very low | 36.7 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 115.6 | 102.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 573 | I | 34.4 | Very low | 36.2 | Very low | 176 Ų | 176 | 119.9 Ų | 119.9 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | 56 | 87.9 | 136 | -41.9 | 173.6 | 0 | 0 | 0 | 118.7 | ||||
| 574 | G | 33.4 | Very low | 35.4 | Very low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | 87.9 | 161.6 | 110 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 575 | S | 34.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | 91.6 | 142.9 | 176 | -45.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 576 | S | 32.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 118.9 Ų | 118.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -133.2 | 129 | -159.9 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 577 | S | 35.8 | Very low | 34.2 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -179.3 | 139 | 152.7 | 35.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 578 | S | 35.6 | Very low | 34.3 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | cis | 123.7 | 133.7 | 29.8 | -76.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 579 | S | 37.2 | Very low | 34.2 | Very low | 117 Ų | 117 | 117.7 Ų | 117.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 53.3 | 109.5 | 172.3 | 45.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 580 | S | 31.8 | Very low | 34.1 | Very low | 107 Ų | 107 | 116 Ų | 116 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | 85.9 | 138.6 | 49.9 | -161.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 581 | N | 33.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | trans | 86.9 | 123.2 | 171 | -63.4 | 42.4 | 0 | 0 | 0 | 119 | ||||
| 582 | D | 33.2 | Very low | 34 | Very low | 134 Ų | 134 | 118 Ų | 118 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 44.8 | 104.3 | 136.4 | -49.1 | -48 | 0 | 0 | 0 | 120 | ||||
| 583 | L | 36.2 | Very low | 34.1 | Very low | 177 Ų | 177 | 120.4 Ų | 120.4 | 93% | 0.927 | 78% | 0.781 | S | S | * | * | -170.8 | 145.5 | 98.2 | -95.5 | 163.8 | 0 | 0 | 0 | 110.1 | |||||
| 584 | G | 31.9 | Very low | 34 | Very low | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -81 | 130.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 585 | N | 36.6 | Very low | 33.9 | Very low | 156 Ų | 156 | 118.7 Ų | 118.7 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -156.6 | 159.3 | 157.1 | -124.3 | -24 | 0 | 0 | 0 | 114.8 | ||||
| 586 | V | 33.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 74% | 0.739 | 78% | 0.78 | S | S | * | * | trans | -57.4 | 128.6 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | V588 | V586-V588 HydrophobicContact CG1-CG2 4.3Š| ||
| 587 | V | 34 | Very low | 33.9 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | -99.5 | 102.4 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | V589 | V587-V589 HydrophobicContact CG1-CG2 4.06Å; V587-V589 PolarHBondContact O-N 2.85Å | ||
| 588 | V | 36.2 | Very low | 33.8 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | trans | -75 | 116 | 161 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | V586 T590 | V586-V588 HydrophobicContact CG1-CG2 4.3Å; V588-T590 HydrophobicContact CG1-CG2 4.07Å; V588-T590 PolarHBondContact O-N 3.02Å | ||
| 589 | V | 36.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -83.1 | 81.4 | 177 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | V587 | V587-V589 HydrophobicContact CG1-CG2 4.06Å; V587-V589 PolarHBondContact O-N 2.85Å | ||
| 590 | T | 33.1 | Very low | 33.2 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -100.5 | 81.2 | 159.3 | 45.5 | 0 | 0 | 0 | 0 | 109.1 | V588 A592 | V588-T590 HydrophobicContact CG1-CG2 4.07Å; V588-T590 PolarHBondContact O-N 3.02Å; T590-A592 PolarHBondContact O-N 3.22Å | ||
| 591 | S | 33.4 | Very low | 33.1 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -76.9 | 83.5 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 592 | A | 28 | Very low | 33 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -82.8 | 126.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110 | T590 | T590-A592 PolarHBondContact O-N 3.22Š| ||
| 593 | S | 34.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -143.4 | 109.1 | 173.7 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 594 | G | 32.4 | Very low | 33 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 168.8 | 55.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | S596 | G594-S596 PolarHBondContact O-N 3.37Š| ||
| 595 | S | 32.3 | Very low | 33 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -77 | 118.5 | 177.9 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 596 | S | 35.2 | Very low | 32.7 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -169.5 | 151.7 | 139.1 | 35.5 | 0 | 0 | 0 | 0 | 111 | G594 | G594-S596 PolarHBondContact O-N 3.37Š| ||
| 597 | T | 30.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -92 | 141.4 | -175.4 | 51 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 598 | V | 34.8 | Very low | 32.5 | Very low | 145 Ų | 145 | 122 Ų | 122 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | -173.4 | 147.3 | 129.1 | 141.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 599 | S | 28 | Very low | 32.2 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -109.2 | 169.4 | -176.5 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 600 | A | 31.5 | Very low | 32.1 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 72.7 | 148.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 601 | S | 29.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | cis | -165.6 | 167.9 | -17.8 | -98 | 0 | 0 | 0 | 0 | 110 | ||||
| 602 | D | 32.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | 71.7 | 162.6 | 157.2 | -55.7 | -44 | 0 | 0 | 0 | 120.7 | ||||
| 603 | V | 35.4 | Very low | 31.8 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | 63.6 | 85.3 | 171.4 | -162.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 604 | L | 33.6 | Very low | 31.5 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | 61.6 | 137.3 | 71 | -69.6 | 167.4 | 0 | 0 | 0 | 117.1 | |||||
| 605 | N | 31 | Very low | 31.2 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 65.8 | 129.3 | 163.1 | -67.6 | -7.2 | 0 | 0 | 0 | 120.1 | ||||
| 606 | G | 30.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | 132.6 | 66.7 | 128.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 607 | S | 29.6 | Very low | 30.9 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 3.9 | 108.5 | 151.3 | -51.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 608 | K | 33.3 | Very low | 30.7 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -168.5 | 128.2 | 137 | -102.8 | 156.4 | -176 | 178.6 | 0 | 109.5 | ||||
| 609 | V | 30.9 | Very low | 30.6 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | 51.9 | 103.7 | 92.8 | -177.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 610 | H | 34.4 | Very low | 30.6 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 73% | 0.731 | 79% | 0.787 | S | S | * | * | trans | -178.4 | 109.1 | 142.9 | -80.4 | -49.7 | 0 | 0 | 0 | 106 | ||||
| 611 | Q | 27.9 | Very low | 30.5 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 48.8 | 75.6 | 73.4 | -160.3 | -176.2 | 27.8 | 0 | 0 | 113.8 | K613 | Q611-K613 PolarHBondContact O-N 3.13Š| |||
| 612 | W | 28.4 | Very low | 30.5 | Very low | 243 Ų | 243 | 151.8 Ų | 151.8 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 99.8 | 165.2 | -77 | 82.2 | 0 | 0 | 0 | 110.3 | ||||
| 613 | K | 30.6 | Very low | 30.3 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 67% | 0.674 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 132.6 | 160.3 | -77 | -175.8 | 175 | -178.7 | 0 | 108.6 | Q611 | Q611-K613 PolarHBondContact O-N 3.13Š| ||
| 614 | H | 28.1 | Very low | 30.2 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | trans | -80.7 | 118.5 | 144.2 | -84.8 | -78.1 | 0 | 0 | 0 | 107.6 | ||||
| 615 | S | 27.4 | Very low | 30.2 | Very low | 86 Ų | 86 | 150.6 Ų | 150.6 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | trans | -139.5 | 104.2 | 175.8 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 616 | D | 29.5 | Very low | 30.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -148.1 | 112.7 | 167.1 | -91.5 | -49.9 | 0 | 0 | 0 | 109.4 | ||||
| 617 | V | 31.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 150 Ų | 150 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | trans | 174.7 | 131.3 | 131.9 | 152.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 618 | V | 27.1 | Very low | 30.8 | Very low | 123 Ų | 123 | 150 Ų | 150 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 131.3 | -165.4 | 173.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 619 | L | 31 | Very low | 31 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -147.1 | 107.5 | 137.6 | -72.2 | -176.2 | 0 | 0 | 0 | 106.8 | ||||
| 620 | Q | 27.7 | Very low | 31.2 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | 85 | 79.5 | 71.3 | -168.1 | -173.8 | 33.8 | 0 | 0 | 114.3 | |||||
| 621 | E | 29.5 | Very low | 31.3 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | -158.5 | 111.3 | 125.9 | -111.2 | -152.1 | 115 | 0 | 0 | 113.7 | |||||
| 622 | K | 29.7 | Very low | 31.7 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | 68.8 | 130.8 | 120.9 | -156.7 | 171.4 | -177.2 | 178.3 | 0 | 122.4 | |||||
| 623 | S | 29.9 | Very low | 31.8 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 70.4 | 139.2 | 169.2 | -99.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 624 | Q | 33.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -159 | 148 | -3.9 | -145.3 | 173.2 | -51.1 | 0 | 0 | 111.7 | ||||
| 625 | N | 31.8 | Very low | 32 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | 63.6 | 134.6 | 172.9 | -49.8 | -23.7 | 0 | 0 | 0 | 116.4 | ||||
| 626 | G | 33.4 | Very low | 32 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | cis | 169 | 143.5 | -12 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 627 | D | 34.5 | Very low | 32.1 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 59.4 | 146.5 | 153 | -125.5 | 36.9 | 0 | 0 | 0 | 120.3 | ||||
| 628 | T | 37.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | cis | -151.5 | 149.5 | 7.2 | -31.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 629 | G | 36.4 | Very low | 32.4 | Very low | 61 Ų | 61 | 144.7 Ų | 144.7 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | 89.5 | 125.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 630 | R | 36.2 | Very low | 32.4 | Very low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | 70.6 | 135.4 | 53.4 | -66.5 | -171.7 | -176.3 | 156.9 | 2.7 | 113.2 | |||||
| 631 | D | 35.2 | Very low | 32.5 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 58% | 0.583 | 76% | 0.764 | S | S | * | * | cis | -169 | 163.9 | 2 | -95.9 | -20.1 | 0 | 0 | 0 | 107.1 | ||||
| 632 | K | 36.7 | Very low | 32.5 | Very low | 150 Ų | 150 | 139 Ų | 139 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | cis | -172.6 | 150 | -8.3 | -111.4 | 165.9 | -171.5 | 135.9 | 0 | 111.1 | ||||
| 633 | L | 29.8 | Very low | 32.5 | Very low | 149 Ų | 149 | 135 Ų | 135 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 63.9 | 149.9 | 163.4 | -82.3 | 74.7 | 0 | 0 | 0 | 116.5 | ||||
| 634 | V | 34.5 | Very low | 32.7 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 79% | 0.788 | 76% | 0.761 | S | S | * | * | cis | -149.8 | 172.7 | 0.2 | -108.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 635 | G | 29.8 | Very low | 32.7 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | 148.3 | 154.3 | -3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 636 | F | 27.9 | Very low | 33 | Very low | 214 Ų | 214 | 135 Ų | 135 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | trans | 61 | 113.3 | 175 | -72.9 | -83.7 | 0 | 0 | 0 | 120.5 | ||||
| 637 | E | 31.4 | Very low | 33.2 | Very low | 202 Ų | 202 | 141.1 Ų | 141.1 | 94% | 0.944 | 76% | 0.758 | S | S | * | * | -147.2 | 179 | 123.8 | -140.3 | -177 | 155.8 | 0 | 0 | 110.1 | |||||
| 638 | L | 36.4 | Very low | 33.3 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | trans | -120.3 | 168.4 | -155.9 | -163.3 | 60.7 | 0 | 0 | 0 | 114.2 | ||||
| 639 | M | 28 | Very low | 33.3 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -57.1 | 157.8 | 172.5 | -60.3 | 178.4 | 162.8 | 0 | 0 | 112.1 | ||||
| 640 | T | 31 | Very low | 33.4 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | -161.6 | 172.6 | 54.8 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 641 | S | 29.7 | Very low | 33.2 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 108 | 164.6 | 64.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 642 | S | 30.3 | Very low | 33 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -104.7 | 110.8 | 171.9 | -54 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 643 | D | 28.8 | Very low | 32.7 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 48% | 0.476 | 76% | 0.755 | S | S | . | * | trans | -86.7 | 116 | 169 | 179.7 | -5.3 | 0 | 0 | 0 | 110.3 | W645 S646 | D643-W645 PolarHBondContact O-N 2.81Å; D643-W645 PolarHBondContact OD1-N 2.98Å; D643-S646 PolarHBondContact O-N 3.46Å; D643-S646 PolarHBondContact O-OG 2.85Å; D643-S646 VanDerWaalsContact O-OG 3.06Å | ||
| 644 | P | 33.5 | Very low | 32.8 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -63.7 | -22.1 | -178.2 | 26.9 | -35.1 | 0 | 0 | 0 | 114.3 | S646 | P644-S646 PolarHBondContact O-N 3.4Å; P644-S646 VanDerWaalsContact O-N 3.15Å |
| 645 | W | 34.7 | Very low | 32.8 | Very low | 209 Ų | 209 | 141.8 Ų | 141.8 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -67.5 | -13.4 | 179.9 | -91.3 | -48 | 0 | 0 | 0 | 114.4 | D643 K647 | D643-W645 PolarHBondContact O-N 2.81Å; D643-W645 PolarHBondContact OD1-N 2.98Å; W645-K647 PolarHBondContact O-N 3.47Å |
| 646 | S | 36.9 | Very low | 33.1 | Very low | 79 Ų | 79 | 143.3 Ų | 143.3 | 55% | 0.552 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -68.1 | -32.9 | -173 | -54.8 | 0 | 0 | 0 | 0 | 114.2 | D643 P644 | D643-S646 PolarHBondContact O-N 3.46Å; D643-S646 PolarHBondContact O-OG 2.85Å; D643-S646 VanDerWaalsContact O-OG 3.06Å; P644-S646 PolarHBondContact O-N 3.4Å; P644-S646 VanDerWaalsContact O-N 3.15Å |
| 647 | K | 37.2 | Very low | 33.3 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.865 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -96.3 | -14.3 | -164.3 | -69.6 | -169.1 | 175.7 | -175.6 | 0 | 116.2 | W645 R649 | W645-K647 PolarHBondContact O-N 3.47Å; K647-R649 VanDerWaalsContact C-N 3.33Å; K647-R649 PolarHBondContact O-N 2.87Å |
| 648 | Q | 36.4 | Very low | 33.4 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -86.1 | 2.1 | -175.2 | -162.2 | 163.8 | -6.4 | 0 | 0 | 114 | Q650 | Q648-Q650 VanDerWaalsContact C-N 3.32Å; Q648-Q650 PolarHBondContact O-N 2.71Å |
| 649 | R | 38.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 128.8 Ų | 128.8 | 69% | 0.687 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 14.5 | -167.6 | -143 | -171.7 | -66.9 | -135.6 | 2.4 | 116.2 | E478 K647 | E478-R649 IonicContact OE2-NH1 3.87Å; K647-R649 VanDerWaalsContact C-N 3.33Å; K647-R649 PolarHBondContact O-N 2.87Å |
| 650 | Q | 37.8 | Very low | 33.4 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 91% | 0.911 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.1 | 6.9 | -179.7 | -83 | -173.8 | -41 | 0 | 0 | 115.1 | Q648 | Q648-Q650 VanDerWaalsContact C-N 3.32Å; Q648-Q650 PolarHBondContact O-N 2.71Å |
| 651 | Q | 33.3 | Very low | 33.8 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -113.6 | 156.8 | 169.3 | -68.7 | -175 | -8.3 | 0 | 0 | 109.8 | F653 | Q651-F653 PolarHBondContact O-N 2.91Š|
| 652 | S | 29.4 | Very low | 33.9 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | trans | -56.1 | 131.1 | -178.5 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | D654 | S652-D654 VanDerWaalsContact C-N 3.25Å; S652-D654 PolarHBondContact O-N 2.65Å; S652-D654 VanDerWaalsContact O-N 3.16Å; S652-D654 PolarHBondContact OG-OD1 3.36Å | ||
| 653 | F | 31.5 | Very low | 33.9 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | trans | -85.3 | 79 | 165.5 | -170.7 | -90 | 0 | 0 | 0 | 107.5 | Q651 | Q651-F653 PolarHBondContact O-N 2.91Š| ||
| 654 | D | 32.7 | Very low | 34 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 65% | 0.651 | S | S | * | * | trans | -68.3 | 138.7 | 168 | -64.5 | -31.7 | 0 | 0 | 0 | 108.7 | S652 | S652-D654 VanDerWaalsContact C-N 3.25Å; S652-D654 PolarHBondContact O-N 2.65Å; S652-D654 VanDerWaalsContact O-N 3.16Å; S652-D654 PolarHBondContact OG-OD1 3.36Å | ||
| 655 | W | 33.3 | Very low | 33.9 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 36% | 0.36 | 65% | 0.654 | S | S | . | * | trans | -72.1 | 141.8 | -176.7 | -82 | 82.1 | 0 | 0 | 0 | 110.8 | T474 L476 C657 D658 | T474-W655 HydrophobicContact CG2-CH2 4.43Å; L476-W655 HydrophobicContact CD2-CZ2 4.36Å; W655-C657 PolarHBondContact O-N 2.9Å; W655-D658 PolarHBondContact O-N 3.2Å | ||
| 656 | P | 36.2 | Very low | 33.6 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -11.6 | 175.2 | -27.1 | 35.7 | 0 | 0 | 0 | 115.4 | ||
| 657 | C | 31.6 | Very low | 33.5 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 41% | 0.412 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.6 | -28.1 | -179 | -57.2 | 0 | 0 | 0 | 0 | 114 | W655 N659 Y660 | W655-C657 PolarHBondContact O-N 2.9Å; C657-N659 VanDerWaalsContact C-N 3.27Å; C657-N659 PolarHBondContact O-N 3.31Å; C657-Y660 PolarHBondContact O-N 2.93Å |
| 658 | D | 33.8 | Very low | 33 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 39% | 0.385 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -79.8 | -11.1 | -166.6 | -62.5 | -24 | 0 | 0 | 0 | 113.6 | R542 W655 Y660 | R542-D658 IonicContact CZ-OD1 3.66Å; R542-D658 IonicContact NH1-OD1 2.63Å; R542-D658 PolarHBondContact NH1-OD1 3.11Å; R542-D658 IonicContact NH1-OD2 2.73Å; W655-D658 PolarHBondContact O-N 3.2Å; D658-Y660 PolarHBondContact O-N 2.84Å |
| 659 | N | 32.2 | Very low | 32.5 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -72.3 | -9 | 170.1 | -77.7 | -23.4 | 0 | 0 | 0 | 114 | C657 | C657-N659 VanDerWaalsContact C-N 3.27Å; C657-N659 PolarHBondContact O-N 3.31Å |
| 660 | Y | 33 | Very low | 31.9 | Very low | 204 Ų | 204 | 123.1 Ų | 123.1 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -99 | -14.7 | -179.3 | -74.6 | -79.5 | 0 | 0 | 0 | 115.2 | C657 D658 | C657-Y660 PolarHBondContact O-N 2.93Å; D658-Y660 PolarHBondContact O-N 2.84Å |
| 661 | L | 38.1 | Very low | 31.5 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 56% | 0.56 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -20.8 | 172.7 | -104.7 | 67.9 | 0 | 0 | 0 | 113.5 | G663 | L661-G663 PolarHBondContact O-N 3.2Š|
| 662 | K | 33.2 | Very low | 31.4 | Very low | 182 Ų | 182 | 119.6 Ų | 119.6 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 26.6 | -173.8 | -149.1 | 167.4 | -172.8 | 169.8 | 0 | 114.9 | ||
| 663 | G | 29.3 | Very low | 31.5 | Very low | 55 Ų | 55 | 124.5 Ų | 124.5 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -3.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | L661 H666 | L661-G663 PolarHBondContact O-N 3.2Å; G663-H666 PolarHBondContact O-CE1 3.29Å |
| 664 | A | 32.5 | Very low | 31.4 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -100 | -34.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H666 | A664-H666 PolarHBondContact O-N 2.88Å; A664-H666 VanDerWaalsContact O-N 3.12Å |
| 665 | D | 29.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 83% | 0.829 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -91.4 | 35.5 | -159 | -54.5 | -46.2 | 0 | 0 | 0 | 115.5 | ||
| 666 | H | 30.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | -135.2 | 41.5 | -176.2 | 53.9 | -94.2 | 0 | 0 | 0 | 115 | G663 A664 | G663-H666 PolarHBondContact O-CE1 3.29Å; A664-H666 PolarHBondContact O-N 2.88Å; A664-H666 VanDerWaalsContact O-N 3.12Å | ||
| 667 | L | 33.5 | Very low | 31.2 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -135.1 | 69.3 | 167.8 | -73.2 | 178.2 | 0 | 0 | 0 | 112.6 | ||||
| 668 | S | 28 | Very low | 31.4 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -158.5 | 129.5 | 160.8 | -82.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 669 | S | 25.2 | Very low | 31.4 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | 53.6 | 109.2 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 670 | S | 26.5 | Very low | 31.5 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | -175.6 | 174.2 | 57.9 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 671 | A | 29.1 | Very low | 31.5 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 95.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 672 | F | 31.3 | Very low | 31.4 | Very low | 213 Ų | 213 | 131 Ų | 131 | 93% | 0.934 | 76% | 0.764 | S | S | * | * | -139.7 | 135 | 113.5 | -116.2 | -81.6 | 0 | 0 | 0 | 109.8 | |||||
| 673 | H | 32 | Very low | 31.5 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -96.1 | 149.7 | 176 | -102.8 | 17.3 | 0 | 0 | 0 | 110.7 | ||||
| 674 | G | 28.4 | Very low | 31.7 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | -74 | 177.1 | -161.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 675 | I | 36.2 | Very low | 32.1 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -140.7 | 129.4 | 143.9 | 27.3 | 174.4 | 0 | 0 | 0 | 106.7 | ||||
| 676 | S | 28.6 | Very low | 32.4 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | -79.7 | 152.3 | 162.4 | -52.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 677 | D | 34 | Very low | 32.8 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | 165 | 155.3 | 101.2 | -90.3 | -38.4 | 0 | 0 | 0 | 114.5 | |||||
| 678 | E | 34.6 | Very low | 33 | Very low | 164 Ų | 164 | 130 Ų | 130 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | 56.9 | 117.3 | 146.2 | -69.7 | 174.9 | -179.9 | 0 | 0 | 122.5 | ||||
| 679 | S | 34.6 | Very low | 33.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 67.5 | 146.7 | 125.5 | -56.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 680 | S | 32.9 | Very low | 34.1 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | cis | 173.9 | 161.6 | -19.1 | 54.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 681 | L | 35 | Very low | 34.6 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 71.7 | 156.4 | 165.1 | -45.9 | 179.7 | 0 | 0 | 0 | 115.7 | ||||
| 682 | I | 34.6 | Very low | 34.9 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -161.8 | 161.5 | -11.2 | -117.5 | 172.1 | 0 | 0 | 0 | 112.1 | ||||
| 683 | S | 34.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 72.8 | 126.4 | 159.2 | -78.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 684 | S | 33.9 | Very low | 35.3 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | -103.9 | -178.9 | 145.3 | -44.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 685 | P | 41.9 | Very low | 35.7 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | -164.4 | -177.3 | 80.6 | 44.2 | -22.4 | 0 | 0 | 0 | 119.3 | |||||
| 686 | S | 36.3 | Very low | 35.5 | Very low | 113 Ų | 113 | 119 Ų | 119 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | 74.4 | 151.4 | 144.2 | -71.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 687 | D | 38.4 | Very low | 35.8 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | cis | -174.1 | 161.9 | -17 | -174 | 19.8 | 0 | 0 | 0 | 112.9 | ||||
| 688 | K | 36.7 | Very low | 35.9 | Very low | 187 Ų | 187 | 116.3 Ų | 116.3 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | 64.9 | 146.1 | 167 | -69.5 | 139.4 | 178.9 | 134.8 | 0 | 120.9 | ||||
| 689 | G | 36.1 | Very low | 35.9 | Very low | 68 Ų | 68 | 115.5 Ų | 115.5 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | 159.1 | 151.8 | -15.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 690 | Q | 40.4 | Very low | 36.1 | Very low | 174 Ų | 174 | 117.9 Ų | 117.9 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | 75.3 | 154 | 155.3 | -58.9 | -168.7 | 1 | 0 | 0 | 119.5 | ||||
| 691 | I | 36.8 | Very low | 36.1 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 62% | 0.621 | 73% | 0.726 | S | S | * | * | cis | -164.2 | 151.7 | -0.8 | -122.8 | 173.4 | 0 | 0 | 0 | 115.8 | ||||
| 692 | C | 36.4 | Very low | 36 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 49% | 0.493 | 72% | 0.719 | S | S | . | * | trans | 53.3 | 141.2 | 153.6 | -61.9 | 0 | 0 | 0 | 0 | 123.7 | R307 | R307-C692 PolarHBondContact NH1-SG 2.88Š| ||
| 693 | R | 36 | Very low | 36 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 54% | 0.54 | 72% | 0.718 | S | S | . | * | cis | 89.2 | 153.2 | 40.2 | -84.4 | -149.3 | 178.4 | -169.3 | -4.7 | 115.5 | Q306 | Q306-R693 VanDerWaalsContact OE1-NH1 3.08Š| ||
| 694 | A | 35.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 123 Ų | 123 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | cis | -176.3 | -166.9 | -18.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 695 | S | 35.3 | Very low | 35.9 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | cis | -168.6 | 162.5 | 14.7 | -34.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 696 | G | 33.1 | Very low | 35.5 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 90% | 0.897 | 71% | 0.714 | S | S | * | * | trans | 101.2 | 153.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 697 | G | 34.6 | Very low | 35.2 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | cis | 164.9 | 159.3 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 698 | S | 36.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 61.7 | 152.9 | 159.8 | 50.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 699 | D | 35.3 | Very low | 34.8 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 69% | 0.691 | S | S | * | * | cis | -170.7 | 178.4 | -21.5 | -108.6 | -55.3 | 0 | 0 | 0 | 112.5 | ||||
| 700 | Q | 37.8 | Very low | 34.6 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | trans | 76.7 | 119.2 | 161.2 | -75 | 173.3 | 41.4 | 0 | 0 | 119.8 | ||||
| 701 | Q | 33.2 | Very low | 34.1 | Very low | 152 Ų | 152 | 124.8 Ų | 124.8 | 71% | 0.71 | 68% | 0.681 | S | S | * | * | 78.4 | 147.9 | 92.7 | -69.1 | -175.1 | 26.4 | 0 | 0 | 114.6 | |||||
| 702 | Q | 33.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | cis | -157.4 | 158.6 | 15.1 | -135.5 | 172.9 | 59.6 | 0 | 0 | 111.7 | ||||
| 703 | Q | 33.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | trans | 25.2 | 154 | 142.5 | -66.1 | 176 | 18.8 | 0 | 0 | 122.4 | ||||
| 704 | Q | 33.4 | Very low | 33 | Very low | 160 Ų | 160 | 123.2 Ų | 123.2 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | cis | -159 | -163.3 | 5.1 | -126.2 | 172.2 | 34.3 | 0 | 0 | 113.4 | ||||
| 705 | Q | 33 | Very low | 32.6 | Very low | 157 Ų | 157 | 124.6 Ų | 124.6 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | -81.8 | -173 | -170.1 | -51.9 | 165.8 | 5.4 | 0 | 0 | 112.9 | ||||
| 706 | Q | 33.5 | Very low | 32.2 | Very low | 154 Ų | 154 | 124 Ų | 124 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | cis | -163.8 | -164 | 22.1 | -147.4 | 176.3 | 80.6 | 0 | 0 | 113.4 | ||||
| 707 | Q | 31.1 | Very low | 32 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 62% | 0.617 | 72% | 0.715 | S | S | * | * | trans | -57.1 | 155.4 | -167.3 | -72.2 | 165.3 | 44.1 | 0 | 0 | 117.2 | ||||
| 708 | Q | 32.2 | Very low | 31.6 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 47% | 0.472 | 72% | 0.723 | S | S | . | * | cis | 104.3 | 117.7 | 21.3 | -72.7 | -148.9 | -80 | 0 | 0 | 114.6 | W132 G133 | W132-Q708 VanDerWaalsContact C-NE2 3.29Å; W132-Q708 VanDerWaalsContact O-CA 3.28Å; W132-Q708 WeakPolarHBondContact O-CA 3.45Å; W132-Q708 WeakPolarHBondContact O-CB 3.43Å; W132-Q708 WeakPolarHBondContact O-CG 3.38Å; W132-Q708 PolarHBondContact O-NE2 3.25Å; G133-Q708 VanDerWaalsContact N-CB 3.34Å; G133-Q708 CarbonylContact O-C 3.03Å; G133-Q708 WeakPolarHBondContact O-CB 3.44Å | ||
| 709 | Q | 33.2 | Very low | 31.5 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 64% | 0.64 | 72% | 0.722 | S | S | * | * | trans | -166.7 | -157.2 | 154.1 | -152.7 | 148.1 | 76.5 | 0 | 0 | 115 | W132 G133 K134 | W132-Q709 CarbonylContact C-O 3.28Å; W132-Q709 VanDerWaalsContact C-O 3.28Å; W132-Q709 WeakPolarHBondContact CA-O 3.44Å; G133-Q709 VanDerWaalsContact N-N 3.14Å; G133-Q709 PolarHBondContact N-O 3.41Å; G133-Q709 VanDerWaalsContact O-CA 3.29Å; G133-Q709 WeakPolarHBondContact O-CA 3.41Å; G133-Q709 PolarHBondContact O-N 3.22Å; K134-Q709 PolarHBondContact O-NE2 3.15Å; K134-Q709 VanDerWaalsContact O-NE2 3.17Å | ||
| 710 | Q | 32.9 | Very low | 31.4 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 48% | 0.477 | 73% | 0.725 | S | S | . | * | trans | -157.3 | 166 | -169.6 | -64.1 | 161.9 | -107.6 | 0 | 0 | 114.6 | W132 | W132-Q710 HydrophobicContact CD2-CG 3.52Å; W132-Q710 HydrophobicContact CE3-CG 3.62Å; W132-Q710 HydrophobicContact CG-CG 3.99Å; W132-Q710 HydrophobicContact CH2-CG 4.32Å; W132-Q710 HydrophobicContact CZ2-CG 4.21Å; W132-Q710 HydrophobicContact CZ3-CG 4.03Å; W132-Q710 VanDerWaalsContact CZ3-NE2 3.27Å; W132-Q710 VanDerWaalsContact CZ3-OE1 3.29Å | ||
| 711 | T | 29.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | -158.2 | 153.1 | 129.5 | 39.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 712 | S | 30.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | 12.6 | 149.3 | 154.9 | 51.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 713 | S | 26.5 | Very low | 31.8 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | cis | -176.1 | 157.2 | 5.1 | 44.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 714 | G | 29.6 | Very low | 32.8 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | 156.5 | 119.9 | 155 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 715 | S | 27.8 | Very low | 34 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 49.5 | 94.3 | 144.5 | -169.4 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 716 | S | 27.3 | Very low | 35.4 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | 57.6 | 136.9 | 114.1 | -49 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 717 | T | 27.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 120.2 Ų | 120.2 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | 85.1 | 135.5 | 155.8 | 63.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 718 | A | 27.7 | Very low | 38.6 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | 67.3 | 74.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 719 | T | 32.8 | Very low | 40.1 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | -129.7 | 107.2 | 149.4 | 51.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 720 | L | 34.1 | Very low | 42 | Very low | 161 Ų | 161 | 119 Ų | 119 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | 76.7 | 121.1 | 94.4 | -95.6 | 164.3 | 0 | 0 | 0 | 112.7 | D722 | L720-D722 PolarHBondContact O-N 3.31Š| |||
| 721 | D | 34.1 | Very low | 43.7 | Very low | 160 Ų | 160 | 120.5 Ų | 120.5 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | -57.7 | 114 | 177.2 | -177.4 | 33.7 | 0 | 0 | 0 | 111 | ||||
| 722 | D | 36.2 | Very low | 45.5 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -125.6 | 135.1 | 174.3 | -116.2 | -37.2 | 0 | 0 | 0 | 106.9 | L720 | L720-D722 PolarHBondContact O-N 3.31Š| ||
| 723 | G | 42.7 | Very low | 46.9 | Very low | 54 Ų | 54 | 123.7 Ų | 123.7 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | trans | -67.7 | -173.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 724 | P | 54 | Low | 49 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -52.6 | 128.8 | -176.6 | 20.9 | -33 | 0 | 0 | 0 | 111.3 | E726 | P724-E726 PolarHBondContact O-N 3.43Š|
| 725 | P | 57.8 | Low | 49.8 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | trans | -63.9 | 135.5 | -164.3 | 23.1 | -34 | 0 | 0 | 0 | 112.2 | F727 | P725-F727 PolarHBondContact O-N 2.83Š| ||
| 726 | E | 63.2 | Low | 50.7 | Low | 136 Ų | 136 | 134.4 Ų | 134.4 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | -45.5 | 124.9 | 178.9 | -179.3 | -173.2 | -132.3 | 0 | 0 | 111.9 | P724 R728 | P724-E726 PolarHBondContact O-N 3.43Å; E726-R728 PolarHBondContact O-N 2.98Å; E726-R728 VanDerWaalsContact O-N 3.1Å; E726-R728 IonicContact OE2-CZ 3.25Å; E726-R728 VanDerWaalsContact OE2-CZ 3.24Å; E726-R728 IonicContact OE2-NE 2.99Å; E726-R728 PolarHBondContact OE2-NE 3.23Å; E726-R728 IonicContact OE2-NH2 3.94Å; E726-R728 PolarHBondContact OE2-NH2 3.49Å | ||
| 727 | F | 61.8 | Low | 51.3 | Low | 147 Ų | 147 | 134.5 Ų | 134.5 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | trans | -65.9 | 112.6 | 176 | 177.8 | -94.7 | 0 | 0 | 0 | 110.4 | P725 P729 | P725-F727 PolarHBondContact O-N 2.83Å; F727-P729 HydrophobicContact CD1-CG 4.39Å; F727-P729 HydrophobicContact CE1-CB 4.49Å; F727-P729 HydrophobicContact CE1-CG 3.98Å | ||
| 728 | R | 70.7 | Confident | 52.2 | Low | 140 Ų | 140 | 132 Ų | 132 | 53% | 0.528 | 70% | 0.703 | S | S | . | * | trans | -105.8 | 111.4 | 176.7 | -70.6 | -178.7 | 176.5 | -170.9 | -1 | 109.9 | E726 G730 Q731 | E726-R728 PolarHBondContact O-N 2.98Å; E726-R728 VanDerWaalsContact O-N 3.1Å; E726-R728 IonicContact OE2-CZ 3.25Å; E726-R728 VanDerWaalsContact OE2-CZ 3.24Å; E726-R728 IonicContact OE2-NE 2.99Å; E726-R728 PolarHBondContact OE2-NE 3.23Å; E726-R728 IonicContact OE2-NH2 3.94Å; E726-R728 PolarHBondContact OE2-NH2 3.49Å; R728-G730 PolarHBondContact O-N 3.02Å; R728-Q731 HydrophobicContact CB-CB 4.44Å; R728-Q731 HydrophobicContact CB-CG 4.38Å; R728-Q731 PolarHBondContact O-N 2.69Å | ||
| 729 | P | 62 | Low | 53.2 | Low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 128.8 | 175.3 | -26.1 | 33.6 | 0 | 0 | 0 | 111.1 | F727 | F727-P729 HydrophobicContact CD1-CG 4.39Å; F727-P729 HydrophobicContact CE1-CB 4.49Å; F727-P729 HydrophobicContact CE1-CG 3.98Å |
| 730 | G | 72.9 | Confident | 53.7 | Low | 90 Ų | 90 | 139.6 Ų | 139.6 | 93% | 0.928 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.8 | -10.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R728 | R728-G730 PolarHBondContact O-N 3.02Š|
| 731 | Q | 69 | Low | 54.4 | Low | 135 Ų | 135 | 134.9 Ų | 134.9 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -92.4 | 136.5 | 165.8 | -70.2 | -161.7 | -85.7 | 0 | 0 | 111.2 | R728 W733 | R728-Q731 HydrophobicContact CB-CB 4.44Å; R728-Q731 HydrophobicContact CB-CG 4.38Å; R728-Q731 PolarHBondContact O-N 2.69Å; Q731-W733 PolarHBondContact O-N 2.78Å |
| 732 | K | 67 | Low | 55.2 | Low | 170 Ų | 170 | 132 Ų | 132 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | trans | -63.3 | 115.1 | 167.3 | -179.2 | -163.3 | 170.2 | -147.5 | 0 | 108.7 | E734 | K732-E734 IonicContact NZ-OE1 2.7Å; K732-E734 PolarHBondContact NZ-OE1 3.03Å | ||
| 733 | W | 60.3 | Low | 55.9 | Low | 136 Ų | 136 | 133.3 Ų | 133.3 | 52% | 0.515 | 68% | 0.68 | S | S | . | * | trans | -73.4 | 126.6 | 175.4 | -174.8 | 57.5 | 0 | 0 | 0 | 110.5 | Q731 W735 | Q731-W733 PolarHBondContact O-N 2.78Å; W733-W735 AromaticContact CH2-CD1 3.89Å; W733-W735 HydrophobicContact CH2-CD2 4.15Å; W733-W735 AromaticContact CH2-CE2 3.43Å; W733-W735 VanDerWaalsContact CH2-CE2 3.43Å; W733-W735 HydrophobicContact CH2-CG 4.41Å; W733-W735 AromaticContact CH2-CZ2 3.71Å; W733-W735 HydrophobicContact CH2-CZ2 3.71Å; W733-W735 AromaticContact CH2-NE1 3.26Å; W733-W735 VanDerWaalsContact CH2-NE1 3.26Å; W733-W735 AromaticContact CZ3-CD1 3.6Å; W733-W735 AromaticContact CZ3-CE2 3.86Å; W733-W735 HydrophobicContact CZ3-CG 4.48Å; W733-W735 HydrophobicContact CZ3-CZ2 4.43Å; W733-W735 AromaticContact CZ3-NE1 3.16Å | ||
| 734 | E | 70.2 | Confident | 56.2 | Low | 133 Ų | 133 | 134.6 Ų | 134.6 | 62% | 0.621 | 67% | 0.674 | S | S | * | * | trans | -108.4 | 112.1 | 175.5 | -62.5 | -156.5 | 137.9 | 0 | 0 | 110.5 | K732 | K732-E734 IonicContact NZ-OE1 2.7Å; K732-E734 PolarHBondContact NZ-OE1 3.03Å | ||
| 735 | W | 46.9 | Very low | 56.4 | Low | 172 Ų | 172 | 134.4 Ų | 134.4 | 65% | 0.652 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 134.7 | 163.8 | -92.8 | 101.6 | 0 | 0 | 0 | 110.3 | W733 V741 | W733-W735 AromaticContact CH2-CD1 3.89Å; W733-W735 HydrophobicContact CH2-CD2 4.15Å; W733-W735 AromaticContact CH2-CE2 3.43Å; W733-W735 VanDerWaalsContact CH2-CE2 3.43Å; W733-W735 HydrophobicContact CH2-CG 4.41Å; W733-W735 AromaticContact CH2-CZ2 3.71Å; W733-W735 HydrophobicContact CH2-CZ2 3.71Å; W733-W735 AromaticContact CH2-NE1 3.26Å; W733-W735 VanDerWaalsContact CH2-NE1 3.26Å; W733-W735 AromaticContact CZ3-CD1 3.6Å; W733-W735 AromaticContact CZ3-CE2 3.86Å; W733-W735 HydrophobicContact CZ3-CG 4.48Å; W733-W735 HydrophobicContact CZ3-CZ2 4.43Å; W733-W735 AromaticContact CZ3-NE1 3.16Å; W735-V741 HydrophobicContact CZ3-CG2 4.21Å |
| 736 | R | 47.3 | Very low | 56.3 | Low | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 162.7 | 160.3 | -69 | -171.4 | 173.7 | -175.3 | 0 | 110.2 | ||
| 737 | D | 39.4 | Very low | 55.8 | Low | 103 Ų | 103 | 132.4 Ų | 132.4 | 55% | 0.551 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 132.1 | -162.4 | -162.9 | 30.2 | 0 | 0 | 0 | 112.4 | R739 | D737-R739 PolarHBondContact O-N 3.03Å; D737-R739 WeakPolarHBondContact OD2-CD 3.37Å; D737-R739 IonicContact OD2-CZ 3.99Å; D737-R739 IonicContact OD2-NE 3.21Å; D737-R739 PolarHBondContact OD2-NE 3.25Å; D737-R739 IonicContact OD2-NH2 3.03Å |
| 738 | P | 46.8 | Very low | 55.4 | Low | 91 Ų | 91 | 129.9 Ų | 129.9 | 59% | 0.591 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -68.2 | 16.6 | -166.8 | -23.9 | 35.8 | 0 | 0 | 0 | 117.9 | E740 | P738-E740 VanDerWaalsContact C-N 3.3Å; P738-E740 PolarHBondContact O-N 2.79Å |
| 739 | R | 47.2 | Very low | 53.7 | Low | 209 Ų | 209 | 129.4 Ų | 129.4 | 79% | 0.789 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -75 | -17.6 | -172.6 | -59.3 | -174.3 | -169.1 | -132.8 | -5.6 | 114.3 | D737 | D737-R739 PolarHBondContact O-N 3.03Å; D737-R739 WeakPolarHBondContact OD2-CD 3.37Å; D737-R739 IonicContact OD2-CZ 3.99Å; D737-R739 IonicContact OD2-NE 3.21Å; D737-R739 PolarHBondContact OD2-NE 3.25Å; D737-R739 IonicContact OD2-NH2 3.03Å |
| 740 | E | 44.5 | Very low | 52.9 | Low | 182 Ų | 182 | 127.6 Ų | 127.6 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -108.7 | 1.1 | -173.9 | -67.7 | 165.3 | 174.2 | 0 | 0 | 112.2 | P738 A742 | P738-E740 VanDerWaalsContact C-N 3.3Å; P738-E740 PolarHBondContact O-N 2.79Å; E740-A742 VanDerWaalsContact C-N 3.29Å; E740-A742 PolarHBondContact O-N 2.93Å |
| 741 | V | 49.4 | Very low | 51.4 | Low | 61 Ų | 61 | 127.6 Ų | 127.6 | 37% | 0.37 | 67% | 0.669 | S | S | . | * | G | 310 helix | trans | -80.7 | -8.2 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | W735 E743 D744 | W735-V741 HydrophobicContact CZ3-CG2 4.21Å; V741-E743 PolarHBondContact O-N 3.07Å; V741-E743 VanDerWaalsContact O-N 3.11Å; V741-D744 PolarHBondContact O-N 3.22Å |
| 742 | A | 49.3 | Very low | 50 | Low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -69.6 | -5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E740 | E740-A742 VanDerWaalsContact C-N 3.29Å; E740-A742 PolarHBondContact O-N 2.93Å |
| 743 | E | 51.5 | Low | 48.5 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -114.9 | 7.3 | -178.2 | -58.3 | -164.9 | -177.7 | 0 | 0 | 114.2 | V741 P745 | V741-E743 PolarHBondContact O-N 3.07Å; V741-E743 VanDerWaalsContact O-N 3.11Å; E743-P745 VanDerWaalsContact O-CD 3.26Å; E743-P745 WeakPolarHBondContact O-CD 3.46Å |
| 744 | D | 50.2 | Low | 47.2 | Very low | 80 Ų | 80 | 126.5 Ų | 126.5 | 43% | 0.428 | 68% | 0.684 | S | S | . | * | trans | -76.9 | 112.6 | 175.4 | -179.9 | 4.8 | 0 | 0 | 0 | 111.9 | V741 N746 A747 | V741-D744 PolarHBondContact O-N 3.22Å; D744-N746 PolarHBondContact O-N 3.14Å; D744-N746 WeakPolarHBondContact OD1-CB 3.4Å; D744-N746 PolarHBondContact OD1-N 3.41Å; D744-A747 HydrophobicContact CB-CB 4.15Å; D744-A747 WeakPolarHBondContact O-CB 3.41Å; D744-A747 PolarHBondContact O-N 3.46Å | ||
| 745 | P | 56.4 | Low | 45.3 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -8.3 | -179.8 | 33 | -37.5 | 0 | 0 | 0 | 114.1 | E743 | E743-P745 VanDerWaalsContact O-CD 3.26Å; E743-P745 WeakPolarHBondContact O-CD 3.46Å |
| 746 | N | 56.8 | Low | 44.3 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -1.4 | 173.6 | -67.7 | -48 | 0 | 0 | 0 | 113.2 | D744 T748 | D744-N746 PolarHBondContact O-N 3.14Å; D744-N746 WeakPolarHBondContact OD1-CB 3.4Å; D744-N746 PolarHBondContact OD1-N 3.41Å; N746-T748 PolarHBondContact O-N 3Å |
| 747 | A | 51.6 | Low | 43.5 | Very low | 49 Ų | 49 | 117.4 Ų | 117.4 | 41% | 0.405 | 69% | 0.69 | S | S | . | * | trans | -71.7 | 89.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D744 | D744-A747 HydrophobicContact CB-CB 4.15Å; D744-A747 WeakPolarHBondContact O-CB 3.41Å; D744-A747 PolarHBondContact O-N 3.46Å | ||
| 748 | T | 53.8 | Low | 42.9 | Very low | 93 Ų | 93 | 116.7 Ų | 116.7 | 57% | 0.571 | 69% | 0.692 | S | S | * | * | trans | -55.9 | 127.8 | 177.9 | -44.5 | 0 | 0 | 0 | 0 | 111.2 | N746 G750 S751 | N746-T748 PolarHBondContact O-N 3Å; T748-G750 PolarHBondContact O-N 3.44Å; T748-G750 VanDerWaalsContact O-N 3.16Å; T748-S751 VanDerWaalsContact O-CB 3.23Å; T748-S751 WeakPolarHBondContact O-CB 3.22Å; T748-S751 PolarHBondContact O-N 3.45Å | ||
| 749 | P | 35.6 | Very low | 42 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 84% | 0.844 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | 121.8 | 175.2 | -27.2 | 35.6 | 0 | 0 | 0 | 111.3 | ||
| 750 | G | 45.9 | Very low | 41.2 | Very low | 77 Ų | 77 | 114.6 Ų | 114.6 | 79% | 0.794 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93 | -8.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T748 V752 | T748-G750 PolarHBondContact O-N 3.44Å; T748-G750 VanDerWaalsContact O-N 3.16Å; G750-V752 VanDerWaalsContact C-N 3.25Å; G750-V752 PolarHBondContact O-N 3.27Å |
| 751 | S | 41.5 | Very low | 40.5 | Very low | 90 Ų | 90 | 116.7 Ų | 116.7 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | trans | -68 | -25 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 112.9 | T748 K753 | T748-S751 VanDerWaalsContact O-CB 3.23Å; T748-S751 WeakPolarHBondContact O-CB 3.22Å; T748-S751 PolarHBondContact O-N 3.45Å; S751-K753 VanDerWaalsContact C-N 3.3Å; S751-K753 PolarHBondContact O-N 3.23Å | ||
| 752 | V | 39.4 | Very low | 39.6 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -72.5 | 84.8 | 173.7 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | G750 T754 | G750-V752 VanDerWaalsContact C-N 3.25Å; G750-V752 PolarHBondContact O-N 3.27Å; V752-T754 VanDerWaalsContact C-N 3.29Å; V752-T754 HydrophobicContact CG1-CG2 4.26Å; V752-T754 PolarHBondContact O-N 3.39Å |
| 753 | K | 35.1 | Very low | 38.6 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -65.2 | 89.2 | 171.9 | -173.3 | 173.9 | -176.8 | 174 | 0 | 109.5 | S751 S755 | S751-K753 VanDerWaalsContact C-N 3.3Å; S751-K753 PolarHBondContact O-N 3.23Å; K753-S755 PolarHBondContact O-N 3.31Å | ||
| 754 | T | 33.6 | Very low | 37.4 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -67.5 | 82.3 | 172.7 | 41.7 | 0 | 0 | 0 | 0 | 110.1 | V752 A756 | V752-T754 VanDerWaalsContact C-N 3.29Å; V752-T754 HydrophobicContact CG1-CG2 4.26Å; V752-T754 PolarHBondContact O-N 3.39Å; T754-A756 PolarHBondContact O-N 3.35Å | ||
| 755 | S | 28.9 | Very low | 36.5 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | -41.5 | 131.5 | 157.4 | -65.4 | 0 | 0 | 0 | 0 | 108.6 | K753 I757 | K753-S755 PolarHBondContact O-N 3.31Å; S755-I757 VanDerWaalsContact C-N 3.3Å; S755-I757 PolarHBondContact O-N 2.96Å | ||
| 756 | A | 27 | Very low | 35.1 | Very low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -66.9 | 82.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113 | T754 S758 | T754-A756 PolarHBondContact O-N 3.35Å; A756-S758 PolarHBondContact O-N 3.08Å | ||
| 757 | I | 29.3 | Very low | 33.9 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -76.8 | 103.6 | 171.2 | -64 | 170.5 | 0 | 0 | 0 | 107 | S755 L759 | S755-I757 VanDerWaalsContact C-N 3.3Å; S755-I757 PolarHBondContact O-N 2.96Å; I757-L759 PolarHBondContact O-N 3.43Å | ||
| 758 | S | 26.5 | Very low | 33 | Very low | 87 Ų | 87 | 123.6 Ų | 123.6 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | trans | -54 | 106.3 | 178.8 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | A756 T760 | A756-S758 PolarHBondContact O-N 3.08Å; S758-T760 PolarHBondContact O-N 3.35Å | ||
| 759 | L | 29.4 | Very low | 31.7 | Very low | 178 Ų | 178 | 122.8 Ų | 122.8 | 93% | 0.932 | 73% | 0.726 | S | S | * | * | trans | -71.5 | 75.7 | 171.3 | -82 | 168.7 | 0 | 0 | 0 | 109.8 | I757 | I757-L759 PolarHBondContact O-N 3.43Š| ||
| 760 | T | 29 | Very low | 31.3 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 49% | 0.485 | 72% | 0.724 | S | S | . | * | trans | -130.9 | 82.3 | -178.3 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | S758 | S758-T760 PolarHBondContact O-N 3.35Š| ||
| 761 | R | 30.5 | Very low | 30.4 | Very low | 226 Ų | 226 | 122.1 Ų | 122.1 | 85% | 0.853 | 73% | 0.725 | S | S | * | * | trans | 72.1 | 137.9 | 169.5 | -49.8 | 174.8 | -178 | -179.8 | 1 | 116.6 | ||||
| 762 | L | 31.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | -160.8 | 91.9 | 124.9 | -105.1 | 176.5 | 0 | 0 | 0 | 110.3 | G764 | L762-G764 WeakPolarHBondContact CD2-O 3.47Š| |||
| 763 | S | 27.6 | Very low | 29.3 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | -119.5 | 115.3 | 159.7 | -66.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 764 | G | 26.9 | Very low | 29 | Very low | 51 Ų | 51 | 120.9 Ų | 120.9 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | trans | 71.3 | 160.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L762 | L762-G764 WeakPolarHBondContact CD2-O 3.47Š| ||
| 765 | D | 29.7 | Very low | 28.7 | Very low | 158 Ų | 158 | 119.4 Ų | 119.4 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | cis | -158 | -174.3 | 11.9 | -142.3 | -37.3 | 0 | 0 | 0 | 111.5 | ||||
| 766 | S | 28.4 | Very low | 28.6 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | trans | -102.8 | 155.5 | -175.1 | -55.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 767 | K | 31.3 | Very low | 28.9 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | trans | 111.5 | 113.5 | 149.3 | -70.8 | -173.6 | 176.6 | 179.3 | 0 | 120.4 | S375 L376 | S375-K767 CarbonylContact O-C 3.22Å; S375-K767 VanDerWaalsContact O-C 3.22Å; S375-K767 WeakPolarHBondContact O-CA 3.34Å; S375-K767 PolarHBondContact O-N 3.17Å; L376-K767 CarbonylContact O-C 3.09Å; L376-K767 VanDerWaalsContact O-O 3.14Å | ||
| 768 | L | 31.5 | Very low | 29 | Very low | 130 Ų | 130 | 123 Ų | 123 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | 95.4 | 118 | 131.3 | -70.8 | 165.5 | 0 | 0 | 0 | 121.4 | G374 S375 L376 | G374-L768 PolarHBondContact O-N 3.48Å; S375-L768 PolarHBondContact O-N 3.02Å; S375-L768 VanDerWaalsContact O-N 3.15Å; L376-L768 PolarHBondContact O-N 3.29Å | ||
| 769 | S | 27.5 | Very low | 29.6 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 52% | 0.524 | 74% | 0.744 | S | S | . | * | trans | -175.4 | 142.6 | 134.7 | 58.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 770 | A | 27.4 | Very low | 29.6 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | cis | -173.4 | 139.9 | -23.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 771 | A | 26.9 | Very low | 29.5 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -179.8 | 122.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 772 | V | 25.8 | Very low | 29.5 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | 30.8 | 118.1 | 140.3 | -166.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 773 | V | 31.9 | Very low | 29.3 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | 163.7 | 100.4 | 133.5 | 154.9 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 774 | S | 27.4 | Very low | 29.4 | Very low | 96 Ų | 96 | 112.9 Ų | 112.9 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | 56.2 | 119.4 | 81.8 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 775 | S | 28.2 | Very low | 29.7 | Very low | 93 Ų | 93 | 114.9 Ų | 114.9 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -167.5 | 149.6 | 18.2 | -107 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 776 | H | 27.8 | Very low | 29.8 | Very low | 179 Ų | 179 | 112.6 Ų | 112.6 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 66.5 | 168 | 140.8 | -73.5 | 70.1 | 0 | 0 | 0 | 121.8 | ||||
| 777 | A | 31.7 | Very low | 30 | Very low | 96 Ų | 96 | 111.9 Ų | 111.9 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | 77.7 | 136.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 778 | V | 31.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 107.8 Ų | 107.8 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -130.6 | -167.2 | 179.7 | -145.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 779 | P | 40 | Very low | 30.1 | Very low | 111 Ų | 111 | 108.3 Ų | 108.3 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | trans | -92.1 | 169 | -132.7 | 42.5 | -30.9 | 0 | 0 | 0 | 114.7 | ||||
| 780 | D | 28.5 | Very low | 30.3 | Very low | 173 Ų | 173 | 111.6 Ų | 111.6 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -169.5 | -178.7 | 130.4 | -129.5 | -38.1 | 0 | 0 | 0 | 112.3 | ||||
| 781 | G | 28.5 | Very low | 30.7 | Very low | 64 Ų | 64 | 118.1 Ų | 118.1 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | 110.5 | 63.5 | 140.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 782 | A | 29.6 | Very low | 31 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 25.3 | 127.7 | 134.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 783 | A | 28.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | 85.8 | 151.5 | 122.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 784 | A | 29.7 | Very low | 31.8 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | 72.3 | 147.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 785 | A | 31.8 | Very low | 32.2 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -167.9 | 164.8 | -19.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 786 | A | 32.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 66.5 | 148.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 787 | G | 31.8 | Very low | 32.8 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | cis | 174.3 | 158.4 | -8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 788 | G | 33.6 | Very low | 33 | Very low | 70 Ų | 70 | 120.6 Ų | 120.6 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 126.4 | 100 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 789 | V | 32.9 | Very low | 33.1 | Very low | 140 Ų | 140 | 120 Ų | 120 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | cis | 74.8 | 123.9 | 42.1 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 790 | L | 30.6 | Very low | 32.8 | Very low | 144 Ų | 144 | 119.1 Ų | 119.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | cis | -171 | 152 | -19.6 | -122.1 | 171.8 | 0 | 0 | 0 | 107.3 | ||||
| 791 | Y | 36.3 | Very low | 32.8 | Very low | 234 Ų | 234 | 115.9 Ų | 115.9 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | trans | -175.9 | 145 | 138.9 | -106 | -66.9 | 0 | 0 | 0 | 112.1 | ||||
| 792 | S | 32.6 | Very low | 33 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 57% | 0.573 | 78% | 0.78 | S | S | * | * | trans | -160.4 | 165.2 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 793 | P | 39.4 | Very low | 33.3 | Very low | 132 Ų | 132 | 119 Ų | 119 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | -139.7 | 165.4 | 118.7 | 36.8 | -24.5 | 0 | 0 | 0 | 115.4 | |||||
| 794 | S | 34.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -118.2 | 171.3 | -170.7 | -40.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 795 | T | 37.4 | Very low | 34 | Very low | 129 Ų | 129 | 125 Ų | 125 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 170.6 | 141.7 | 143.8 | 24.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 796 | M | 36.6 | Very low | 34.1 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -140 | 141.9 | -11.1 | -80.5 | -158.5 | 179.7 | 0 | 0 | 107.4 | ||||
| 797 | L | 32.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 129 Ų | 129 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | 59.4 | 136.9 | 75.5 | -58.9 | 174.5 | 0 | 0 | 0 | 114.3 | |||||
| 798 | T | 34.4 | Very low | 34 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | cis | -150.4 | -174.7 | 3.1 | -11.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 799 | V | 34.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | cis | -155.1 | -176.5 | 12.3 | -116.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 800 | S | 32.3 | Very low | 33.7 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | cis | -161.4 | 144.1 | -1.3 | -117.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 801 | S | 29.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | 46.2 | 132.1 | 87 | 80.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 802 | A | 32.2 | Very low | 33.8 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | cis | -168.8 | -170.6 | -11.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 803 | T | 36.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | cis | -149.7 | 173.7 | 12.7 | 59 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 804 | P | 40.2 | Very low | 33.1 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -124.6 | 152.8 | 177.8 | 39.8 | -28.2 | 0 | 0 | 0 | 116.5 | ||||
| 805 | K | 32.4 | Very low | 33 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | trans | 176.7 | 159.7 | 150.2 | -110.4 | 167.4 | -177 | 177 | 0 | 115.9 | ||||
| 806 | S | 32.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 137 | 145.3 | -170.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 807 | Y | 29.5 | Very low | 32.4 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | cis | -172 | 165.6 | -21.3 | -129.5 | -81.1 | 0 | 0 | 0 | 108 | ||||
| 808 | Y | 33.1 | Very low | 32.1 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 67 | 149.1 | 159 | -71.1 | -53.4 | 0 | 0 | 0 | 119.1 | ||||
| 809 | D | 29.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | cis | -149.1 | 158.2 | -17 | -161.2 | 15.7 | 0 | 0 | 0 | 113.6 | ||||
| 810 | S | 31.5 | Very low | 31.5 | Very low | 58 Ų | 58 | 135.3 Ų | 135.3 | 41% | 0.406 | 76% | 0.756 | S | S | . | * | trans | 21.1 | 124.5 | 149.5 | -68 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 811 | K | 31.2 | Very low | 31.3 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | 51.3 | 116.3 | 118 | -50.1 | 163.3 | -164 | 125.4 | 0 | 119.1 | |||||
| 812 | I | 37.1 | Very low | 31.1 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | -166.8 | 101.3 | 126.9 | -99.2 | 149.9 | 0 | 0 | 0 | 105.3 | |||||
| 813 | S | 32.5 | Very low | 31 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | 86 | 127.1 | 88.1 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 814 | N | 25.5 | Very low | 30.5 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -49.6 | 132.8 | -176.4 | -48.5 | -76.4 | 0 | 0 | 0 | 114.5 | ||||
| 815 | L | 32.1 | Very low | 29.8 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -140.1 | 133.9 | 143.1 | -84 | 108.7 | 0 | 0 | 0 | 109.5 | ||||
| 816 | S | 26.2 | Very low | 29.6 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | trans | -110.2 | -173.7 | 173.9 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 817 | P | 35.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | -92.4 | -153.6 | -88.9 | 40.7 | -30.1 | 0 | 0 | 0 | 111.7 | |||||
| 818 | N | 24.5 | Very low | 29.3 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 67.6 | 101.7 | 179.9 | -73.2 | -25.6 | 0 | 0 | 0 | 116.8 | ||||
| 819 | I | 30.3 | Very low | 29.2 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | trans | -128 | 117.9 | 130.3 | -67.2 | -174.2 | 0 | 0 | 0 | 107.4 | N821 | I819-N821 HydrophobicContact CG2-CB 4.42Š| ||
| 820 | V | 26.6 | Very low | 29.3 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -78.2 | 134.2 | 160.7 | 175.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 821 | N | 28.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -154.3 | 150.7 | 162.1 | -146.1 | 12.6 | 0 | 0 | 0 | 111.7 | I819 | I819-N821 HydrophobicContact CG2-CB 4.42Š| ||
| 822 | D | 25.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 154.3 | -168.3 | -64.1 | -81.9 | 0 | 0 | 0 | 114.9 | ||||
| 823 | G | 29.3 | Very low | 28.7 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -160.8 | 53.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S825 | G823-S825 PolarHBondContact O-N 3.3Š| ||
| 824 | W | 25.8 | Very low | 28.4 | Very low | 255 Ų | 255 | 140 Ų | 140 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 100.7 | 171 | -80.7 | 47.7 | 0 | 0 | 0 | 111.4 | ||||
| 825 | S | 27 | Very low | 28.4 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -161.2 | 151.7 | 153.9 | -148.7 | 0 | 0 | 0 | 0 | 113.4 | G823 | G823-S825 PolarHBondContact O-N 3.3Š| ||
| 826 | A | 27.3 | Very low | 28.3 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 127.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 827 | K | 27.2 | Very low | 28.3 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -173.2 | 117.4 | 139.9 | -95.9 | 137.3 | -164.6 | 168.7 | 0 | 110 | V829 | K827-V829 PolarHBondContact O-N 3.14Å; K827-V829 VanDerWaalsContact O-N 3.14Å | ||
| 828 | S | 28.6 | Very low | 27.9 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -65.9 | 111.4 | 164.9 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | R830 | S828-R830 PolarHBondContact O-N 3.07Å; S828-R830 VanDerWaalsContact O-N 3.14Å | ||
| 829 | V | 31.1 | Very low | 27.9 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -74.6 | 104.2 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 108 | K827 | K827-V829 PolarHBondContact O-N 3.14Å; K827-V829 VanDerWaalsContact O-N 3.14Å | ||
| 830 | R | 31.4 | Very low | 27.8 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | -51.9 | 140.5 | 167.8 | -67.6 | 179.9 | 171.6 | -179.2 | -3.9 | 109.1 | S828 | S828-R830 PolarHBondContact O-N 3.07Å; S828-R830 VanDerWaalsContact O-N 3.14Å | ||
| 831 | P | 33.5 | Very low | 28 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -53.6 | 141.7 | 154.8 | 27.6 | -33.8 | 0 | 0 | 0 | 107.6 | A833 | P831-A833 PolarHBondContact O-N 3.14Š|
| 832 | P | 27.8 | Very low | 28 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -57.1 | 110.8 | -167.8 | 22 | -33.4 | 0 | 0 | 0 | 109.9 | Q834 | P832-Q834 PolarHBondContact O-N 3.23Š| ||
| 833 | A | 25.7 | Very low | 28.3 | Very low | 71 Ų | 71 | 148.1 Ų | 148.1 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -64.3 | 103.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | P831 S835 | P831-A833 PolarHBondContact O-N 3.14Å; A833-S835 PolarHBondContact O-N 2.87Å | ||
| 834 | Q | 28.2 | Very low | 28.4 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -56.5 | 115.2 | 165.9 | -75.9 | -170.7 | -17.9 | 0 | 0 | 106.7 | P832 L836 | P832-Q834 PolarHBondContact O-N 3.23Å; Q834-L836 PolarHBondContact O-N 3.48Å | ||
| 835 | S | 25.1 | Very low | 28.7 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -72 | 81.8 | -176.8 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | A833 N837 | A833-S835 PolarHBondContact O-N 2.87Å; S835-N837 PolarHBondContact O-N 3.39Å | ||
| 836 | L | 29.8 | Very low | 29.1 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 86.2 | 159.5 | -70.2 | -178.1 | 0 | 0 | 0 | 107.1 | Q834 M838 | Q834-L836 PolarHBondContact O-N 3.48Å; L836-M838 PolarHBondContact O-N 3.31Å | ||
| 837 | N | 26.9 | Very low | 29.1 | Very low | 132 Ų | 132 | 153.5 Ų | 153.5 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -56.2 | 127.5 | -178.4 | -172.5 | 5.8 | 0 | 0 | 0 | 109.1 | S835 A839 | S835-N837 PolarHBondContact O-N 3.39Å; N837-A839 HydrophobicContact CB-CB 4.39Å; N837-A839 PolarHBondContact O-N 3.45Å | ||
| 838 | M | 25 | Very low | 29.4 | Very low | 183 Ų | 183 | 151 Ų | 151 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -75 | 67.5 | 175.9 | -110 | -89.3 | 68.7 | 0 | 0 | 109.4 | L836 | L836-M838 PolarHBondContact O-N 3.31Š|
| 839 | A | 26.2 | Very low | 29.3 | Very low | 46 Ų | 46 | 150.4 Ų | 150.4 | 38% | 0.38 | 80% | 0.795 | S | S | . | * | trans | -142.4 | 107.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N837 | N837-A839 HydrophobicContact CB-CB 4.39Å; N837-A839 PolarHBondContact O-N 3.45Å | ||
| 840 | Y | 26.7 | Very low | 29.3 | Very low | 214 Ų | 214 | 148.7 Ų | 148.7 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 47.9 | 110.2 | 160.6 | -63 | -98.5 | 0 | 0 | 0 | 118.1 | ||||
| 841 | F | 30.4 | Very low | 29.4 | Very low | 216 Ų | 216 | 150.2 Ų | 150.2 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | -151.1 | 100.3 | 117.4 | -103.8 | -64.8 | 0 | 0 | 0 | 111.3 | |||||
| 842 | N | 29.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -99.4 | 150.7 | 170.9 | -143.9 | -40 | 0 | 0 | 0 | 108.5 | ||||
| 843 | R | 32.2 | Very low | 29.3 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 69.1 | 116.1 | 180 | -57.3 | 178.6 | 169.3 | -176.9 | -3.5 | 118.9 | ||
| 844 | G | 31.1 | Very low | 29.5 | Very low | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | 104.4 | 121.4 | 115.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 845 | P | 32.4 | Very low | 29.9 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | -82.3 | 142.6 | 174.5 | 33.5 | -33.8 | 0 | 0 | 0 | 112.2 | ||||
| 846 | R | 34.6 | Very low | 30 | Very low | 252 Ų | 252 | 153.1 Ų | 153.1 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | trans | -147.5 | 131.9 | 161.1 | -127 | 179.6 | -177.8 | -164.4 | -1.4 | 110.8 | ||||
| 847 | M | 28.3 | Very low | 30.1 | Very low | 187 Ų | 187 | 155 Ų | 155 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -81.5 | 134.7 | 179 | -52.8 | 177.3 | -168.6 | 0 | 0 | 111.1 | ||||
| 848 | V | 34.3 | Very low | 30.3 | Very low | 143 Ų | 143 | 157.1 Ų | 157.1 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -145.6 | 137.7 | 139.5 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 849 | S | 26.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -116 | 134.1 | 170.3 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 850 | S | 31.2 | Very low | 30.8 | Very low | 95 Ų | 95 | 158.1 Ų | 158.1 | 66% | 0.664 | 83% | 0.825 | S | S | * | * | trans | -174.6 | 115.5 | 158.8 | -90.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 851 | Y | 31.8 | Very low | 31.2 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | trans | 58.8 | 157.5 | 147.8 | -62.8 | -78 | 0 | 0 | 0 | 121 | ||||
| 852 | A | 29.5 | Very low | 31.8 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -141.6 | 158.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 853 | N | 31.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -163.5 | 143.5 | 136.3 | -117.7 | -46.3 | 0 | 0 | 0 | 115.3 | ||||
| 854 | N | 28.5 | Very low | 33.4 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 43 | 94.9 | 151.1 | -65.3 | -25.8 | 0 | 0 | 0 | 121.7 | ||||
| 855 | A | 36.5 | Very low | 34.8 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | -145.7 | 139.7 | 115 | 0 | 0 | 0 | 0 | 0 | 109 | F857 | A855-F857 PolarHBondContact O-N 3.01Š| |||
| 856 | Q | 27.6 | Very low | 37.2 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -88.9 | 103.8 | -166.1 | -70 | 178.1 | -15.9 | 0 | 0 | 113.5 | ||||
| 857 | F | 31.2 | Very low | 40.1 | Very low | 203 Ų | 203 | 120.7 Ų | 120.7 | 89% | 0.89 | 68% | 0.676 | S | S | * | * | trans | -121.2 | 120.3 | 147.7 | -105 | -94.4 | 0 | 0 | 0 | 107.4 | A855 P859 | A855-F857 PolarHBondContact O-N 3.01Å; F857-P859 WeakPolarHBondContact O-CD 3.26Å | ||
| 858 | M | 31.2 | Very low | 43.2 | Very low | 178 Ų | 178 | 111.8 Ų | 111.8 | 88% | 0.877 | 63% | 0.632 | S | S | * | * | trans | -71.1 | 127 | 176.5 | -83.7 | -165 | 150.2 | 0 | 0 | 110.2 | L860 | M858-L860 PolarHBondContact O-N 2.98Š| ||
| 859 | P | 27.9 | Very low | 46 | Very low | 122 Ų | 122 | 105 Ų | 105 | 79% | 0.792 | 59% | 0.591 | S | S | * | * | trans | -67.4 | 114.8 | 165.2 | 28.6 | -31.3 | 0 | 0 | 0 | 108 | F857 S861 | F857-P859 WeakPolarHBondContact O-CD 3.26Å; P859-S861 PolarHBondContact O-N 3.23Å | ||
| 860 | L | 34.7 | Very low | 49.2 | Very low | 128 Ų | 128 | 99.8 Ų | 99.8 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | trans | -56.8 | 134.4 | 170.1 | -73.6 | 168.1 | 0 | 0 | 0 | 108.9 | M858 T864 | M858-L860 PolarHBondContact O-N 2.98Å; L860-T864 HydrophobicContact CB-CG2 4.35Å | ||
| 861 | S | 33.7 | Very low | 52 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | trans | -51 | 139.1 | -177.6 | 177 | 0 | 0 | 0 | 0 | 111.1 | P859 A863 T864 | P859-S861 PolarHBondContact O-N 3.23Å; S861-A863 PolarHBondContact O-N 2.84Å; S861-T864 PolarHBondContact O-N 2.8Å; S861-T864 PolarHBondContact O-OG1 2.81Å | ||
| 862 | P | 43.6 | Very low | 54.6 | Low | 114 Ų | 114 | 90.9 Ų | 90.9 | 74% | 0.74 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -58.3 | -11.6 | -174.8 | 21.8 | -33.8 | 0 | 0 | 0 | 115.1 | T864 | P862-T864 PolarHBondContact O-N 3.04Š|
| 863 | A | 43.9 | Very low | 57.3 | Low | 56 Ų | 56 | 86.6 Ų | 86.6 | 46% | 0.463 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -61.6 | -19.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S861 Q865 | S861-A863 PolarHBondContact O-N 2.84Å; A863-Q865 VanDerWaalsContact C-N 3.32Å; A863-Q865 PolarHBondContact O-N 3.07Å |
| 864 | T | 51.2 | Low | 59.8 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 33% | 0.331 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -85.4 | 6.3 | -177.8 | 70.2 | 0 | 0 | 0 | 0 | 114.6 | L860 S861 P862 | L860-T864 HydrophobicContact CB-CG2 4.35Å; S861-T864 PolarHBondContact O-N 2.8Å; S861-T864 PolarHBondContact O-OG1 2.81Å; P862-T864 PolarHBondContact O-N 3.04Å |
| 865 | Q | 60.9 | Low | 62.2 | Low | 96 Ų | 96 | 84.2 Ų | 84.2 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -121.4 | 18.2 | -169.8 | -64.9 | -151.3 | 35.1 | 0 | 0 | 115.7 | A863 K906 | A863-Q865 VanDerWaalsContact C-N 3.32Å; A863-Q865 PolarHBondContact O-N 3.07Å; Q865-K906 VanDerWaalsContact C-CE 3.48Å; Q865-K906 WeakPolarHBondContact O-CE 3.47Å; Q865-K906 PolarHBondContact O-NZ 3.41Å; Q865-K906 VanDerWaalsContact O-NZ 3.09Å |
| 866 | Q | 83.5 | Confident | 64.5 | Low | 62 Ų | 62 | 80.1 Ų | 80.1 | 29% | 0.29 | 43% | 0.426 | S | S | . | . | trans | -78.2 | 144.8 | 171.8 | -64.4 | 176.9 | 10.3 | 0 | 0 | 111.4 | A912 L932 | Q866-A912 HydrophobicContact CB-CB 3.78Å; Q866-L932 HydrophobicContact CB-CD2 4.36Å | ||
| 867 | W | 93.7 | Very high | 67.3 | Low | 25 Ų | 25 | 75 Ų | 75 | 10% | 0.095 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 157 | 167.6 | -68.2 | 79.3 | 0 | 0 | 0 | 110.2 | A893 V895 A904 V905 K906 L932 A933 D935 V938 | W867-A893 HydrophobicContact CH2-CB 3.61Å; W867-A893 HydrophobicContact CZ2-CB 4.28Å; W867-A893 HydrophobicContact CZ3-CB 4.15Å; W867-V895 HydrophobicContact CH2-CG2 3.87Å; W867-V895 HydrophobicContact CZ3-CG2 4.02Å; W867-A904 HydrophobicContact CE3-CB 3.7Å; W867-A904 HydrophobicContact CZ3-CB 4.06Å; W867-V905 WeakPolarHBondContact CA-O 3.37Å; W867-V905 VanDerWaalsContact CE3-C 3.45Å; W867-K906 HydrophobicContact CD2-CB 3.91Å; W867-K906 HydrophobicContact CD2-CD 4.28Å; W867-K906 HydrophobicContact CD2-CG 4.39Å; W867-K906 HydrophobicContact CE3-CB 3.87Å; W867-K906 HydrophobicContact CG-CB 4.46Å; W867-K906 HydrophobicContact CH2-CB 4.37Å; W867-K906 HydrophobicContact CZ2-CB 4.41Å; W867-K906 HydrophobicContact CZ2-CD 4.17Å; W867-K906 HydrophobicContact CZ3-CB 4.11Å; W867-L932 WeakPolarHBondContact O-CA 3.25Å; W867-A933 PolarHBondContact N-O 3.45Å; W867-A933 PolarHBondContact O-N 2.87Å; W867-D935 PolarHBondContact NE1-OD1 3.19Å; W867-V938 HydrophobicContact CB-CG2 3.69Å; W867-V938 HydrophobicContact CD2-CB 4.48Å; W867-V938 HydrophobicContact CD2-CG1 4.26Å; W867-V938 HydrophobicContact CD2-CG2 4.02Å; W867-V938 HydrophobicContact CE3-CG1 4.44Å; W867-V938 HydrophobicContact CG-CB 4.41Å; W867-V938 HydrophobicContact CG-CG2 3.6Å |
| 868 | I | 94 | Very high | 70.1 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 124.5 | 158.7 | -53.6 | 176.3 | 0 | 0 | 0 | 107.6 | A904 V905 F907 A912 A915 L916 L919 A930 H931 L932 | I868-A904 WeakPolarHBondContact O-CA 3.28Å; I868-V905 HydrophobicContact CB-CG1 4.02Å; I868-V905 PolarHBondContact N-O 3.49Å; I868-V905 PolarHBondContact O-N 2.9Å; I868-F907 HydrophobicContact CD1-CD2 4.38Å; I868-F907 HydrophobicContact CD1-CE2 4.07Å; I868-A912 HydrophobicContact CG1-CB 4.42Å; I868-A915 HydrophobicContact CD1-CB 3.75Å; I868-L916 HydrophobicContact CD1-CB 3.99Å; I868-L916 HydrophobicContact CG2-CD1 4.12Å; I868-L919 HydrophobicContact CD1-CD2 4.34Å; I868-L919 HydrophobicContact CG2-CD2 3.67Å; I868-A930 HydrophobicContact CG2-CB 4.24Å; I868-H931 CarbonylContact C-O 3.51Å; I868-H931 WeakPolarHBondContact CA-O 3.38Å; I868-L932 HydrophobicContact CG1-CD2 4.13Å |
| 869 | V | 93.8 | Very high | 72.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.5 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | L871 F902 A903 A904 A930 H931 A933 V938 L941 | V869-L871 HydrophobicContact CG1-CD2 4.18Å; V869-F902 HydrophobicContact CG1-CD2 4.41Å; V869-A903 CarbonylContact C-O 3.55Å; V869-A903 WeakPolarHBondContact CA-O 3.27Å; V869-A904 HydrophobicContact CG2-CB 4.1Å; V869-A930 CarbonylContact O-C 3.57Å; V869-A930 WeakPolarHBondContact O-CA 3.39Å; V869-H931 VanDerWaalsContact CG1-CE1 3.44Å; V869-H931 WeakPolarHBondContact CG1-CE1 3.4Å; V869-H931 PolarHBondContact N-O 2.83Å; V869-H931 PolarHBondContact O-N 3.45Å; V869-H931 PolarHBondContact O-ND1 2.9Å; V869-A933 HydrophobicContact CB-CB 4.39Å; V869-A933 HydrophobicContact CG2-CB 3.58Å; V869-V938 HydrophobicContact CG2-CG2 3.62Å; V869-L941 HydrophobicContact CG1-CD1 3.89Å; V869-L941 HydrophobicContact CG2-CD1 4.32Å |
| 870 | L | 93.3 | Very high | 75.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.3 | 176.2 | -71.6 | 163.3 | 0 | 0 | 0 | 109.5 | L881 F885 F902 A903 L919 C923 L928 T929 A930 | L870-L881 HydrophobicContact CD1-CD2 4.04Å; L870-F885 HydrophobicContact CD1-CE1 3.72Å; L870-F885 HydrophobicContact CD1-CZ 3.54Å; L870-F902 CarbonylContact O-C 3.6Å; L870-F902 WeakPolarHBondContact O-CA 3.44Å; L870-F902 VanDerWaalsContact O-CB 3.32Å; L870-F902 WeakPolarHBondContact O-CB 3.47Å; L870-A903 HydrophobicContact CB-CB 4.28Å; L870-A903 HydrophobicContact CD1-CB 4.45Å; L870-A903 PolarHBondContact N-O 3.43Å; L870-A903 PolarHBondContact O-N 3.16Å; L870-L919 HydrophobicContact CD2-CD2 4.12Å; L870-L919 HydrophobicContact CG-CD2 4.49Å; L870-C923 HydrophobicContact CD2-CB 4.16Å; L870-C923 WeakPolarHBondContact CD2-SG 3.48Å; L870-L928 HydrophobicContact CD2-CB 4.13Å; L870-L928 HydrophobicContact CD2-CD1 4.47Å; L870-T929 WeakPolarHBondContact CA-O 3.4Å; L870-A930 HydrophobicContact CD2-CB 3.6Å |
| 871 | L | 90.9 | Very high | 78.5 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 160.4 | 170.1 | -52.8 | 176.9 | 0 | 0 | 0 | 109.8 | V869 A873 F902 T929 | V869-L871 HydrophobicContact CG1-CD2 4.18Å; L871-A873 VanDerWaalsContact C-N 3.25Å; L871-A873 PolarHBondContact O-N 2.87Å; L871-F902 HydrophobicContact CD2-CB 4.18Å; L871-T929 PolarHBondContact N-O 2.86Å; L871-T929 PolarHBondContact O-N 2.99Å; L871-T929 VanDerWaalsContact O-N 3.16Å |
| 872 | N | 86.4 | Confident | 81.1 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | trans | 65.9 | 19.5 | -171.5 | -54.5 | -22.7 | 0 | 0 | 0 | 114.8 | H874 L875 G901 G927 L928 | N872-H874 PolarHBondContact O-N 2.92Å; N872-L875 HydrophobicContact CB-CD1 4.42Å; N872-L875 PolarHBondContact O-N 2.81Å; N872-L875 VanDerWaalsContact O-N 3.12Å; N872-G901 PolarHBondContact N-O 2.8Å; N872-G901 VanDerWaalsContact N-O 3.15Å; N872-G927 PolarHBondContact ND2-O 2.98Å; N872-G927 VanDerWaalsContact ND2-O 3.14Å; N872-L928 VanDerWaalsContact C-CD2 3.42Å; N872-L928 HydrophobicContact CB-CD2 4.31Å; N872-L928 VanDerWaalsContact O-CD2 3.27Å; N872-L928 WeakPolarHBondContact O-CD2 3.05Å | ||
| 873 | A | 85 | Confident | 83.3 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 15.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L871 L875 L881 F896 G901 A903 L928 | L871-A873 VanDerWaalsContact C-N 3.25Å; L871-A873 PolarHBondContact O-N 2.87Å; A873-L875 VanDerWaalsContact C-N 3.34Å; A873-L881 HydrophobicContact CB-CD1 4.44Å; A873-F896 HydrophobicContact CB-CE2 3.99Å; A873-F896 WeakPolarHBondContact O-CE2 3.44Å; A873-G901 PolarHBondContact N-O 3.3Å; A873-A903 HydrophobicContact CB-CB 4.09Å; A873-L928 HydrophobicContact CB-CD2 4.43Å |
| 874 | H | 83.7 | Confident | 85.5 | Confident | 130 Ų | 130 | 59.2 Ų | 59.2 | 60% | 0.602 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -14.1 | 165.2 | 61.3 | -95.4 | 0 | 0 | 0 | 112.5 | N872 | N872-H874 PolarHBondContact O-N 2.92Š|
| 875 | L | 78.7 | Confident | 87.4 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 51% | 0.513 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -85.9 | -7.6 | 178.1 | -60.4 | 176.2 | 0 | 0 | 0 | 113.6 | N872 A873 | N872-L875 HydrophobicContact CB-CD1 4.42Å; N872-L875 PolarHBondContact O-N 2.81Å; N872-L875 VanDerWaalsContact O-N 3.12Å; A873-L875 VanDerWaalsContact C-N 3.34Å |
| 876 | V | 84.7 | Confident | 88.7 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -139.5 | 138.3 | -170.2 | -172 | 0 | 0 | 0 | 0 | 109.7 | T880 L881 I926 L928 | V876-T880 HydrophobicContact CG1-CG2 3.55Å; V876-L881 HydrophobicContact CB-CD2 4.39Å; V876-L881 HydrophobicContact CB-CG 4.39Å; V876-L881 HydrophobicContact CG1-CD2 4.01Å; V876-L881 HydrophobicContact CG1-CG 3.9Å; V876-I926 HydrophobicContact CG2-CG2 3.45Å; V876-I926 VanDerWaalsContact CG2-CG2 3.45Å; V876-L928 HydrophobicContact CB-CD1 4.5Å; V876-L928 HydrophobicContact CG2-CD1 3.91Å; V876-L928 HydrophobicContact CG2-CD2 4.11Å; V876-L928 HydrophobicContact CG2-CG 4.15Å |
| 877 | D | 87.3 | Confident | 88.9 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | trans | -80.4 | 166.9 | 178.4 | 73.9 | -76.5 | 0 | 0 | 0 | 112.9 | Q879 T880 L881 | D877-Q879 VanDerWaalsContact C-N 3.33Å; D877-Q879 PolarHBondContact O-N 3.31Å; D877-Q879 VanDerWaalsContact OD2-CA 3.32Å; D877-Q879 WeakPolarHBondContact OD2-CA 3.46Å; D877-Q879 VanDerWaalsContact OD2-CB 3.22Å; D877-Q879 WeakPolarHBondContact OD2-CB 3.45Å; D877-Q879 PolarHBondContact OD2-N 2.69Å; D877-T880 WeakPolarHBondContact OD1-CB 3.5Å; D877-T880 PolarHBondContact OD1-OG1 3Å; D877-T880 PolarHBondContact OD2-N 2.96Å; D877-L881 WeakPolarHBondContact O-CG 3.47Å; D877-L881 PolarHBondContact O-N 2.91Å | ||
| 878 | E | 89.4 | Confident | 88.6 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.1 | -34.6 | -177.9 | -159.3 | -171.7 | 142 | 0 | 0 | 113.3 | L881 Q882 F894 F896 | E878-L881 PolarHBondContact O-N 2.85Å; E878-Q882 WeakPolarHBondContact O-CB 3.35Å; E878-Q882 WeakPolarHBondContact O-CG 3.47Å; E878-Q882 PolarHBondContact O-N 3.21Å; E878-Q882 PolarHBondContact OE1-NE2 2.7Å; E878-F894 HydrophobicContact CG-CE1 3.59Å; E878-F894 HydrophobicContact CG-CZ 3.91Å; E878-F896 HydrophobicContact CB-CD1 3.7Å; E878-F896 HydrophobicContact CB-CE1 3.87Å; E878-F896 HydrophobicContact CG-CB 4.31Å; E878-F896 HydrophobicContact CG-CD1 3.68Å; E878-F896 HydrophobicContact CG-CE1 4.36Å; E878-F896 HydrophobicContact CG-CG 4.29Å |
| 879 | Q | 89.2 | Confident | 88.2 | Confident | 159 Ų | 159 | 60.9 Ų | 60.9 | 74% | 0.743 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.3 | -42.5 | -177.1 | -51.3 | -173.5 | 3 | 0 | 0 | 110.9 | D877 L881 Q882 F883 | D877-Q879 VanDerWaalsContact C-N 3.33Å; D877-Q879 PolarHBondContact O-N 3.31Å; D877-Q879 VanDerWaalsContact OD2-CA 3.32Å; D877-Q879 WeakPolarHBondContact OD2-CA 3.46Å; D877-Q879 VanDerWaalsContact OD2-CB 3.22Å; D877-Q879 WeakPolarHBondContact OD2-CB 3.45Å; D877-Q879 PolarHBondContact OD2-N 2.69Å; Q879-L881 VanDerWaalsContact C-N 3.31Å; Q879-L881 PolarHBondContact O-N 3.34Å; Q879-Q882 PolarHBondContact O-N 3.08Å; Q879-F883 WeakPolarHBondContact O-CB 3.34Å; Q879-F883 PolarHBondContact O-N 3.41Å |
| 880 | T | 89.4 | Confident | 88 | Confident | 64 Ų | 64 | 64.2 Ų | 64.2 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 173.3 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | V876 D877 F883 L884 | V876-T880 HydrophobicContact CG1-CG2 3.55Å; D877-T880 WeakPolarHBondContact OD1-CB 3.5Å; D877-T880 PolarHBondContact OD1-OG1 3Å; D877-T880 PolarHBondContact OD2-N 2.96Å; T880-F883 PolarHBondContact O-N 3.37Å; T880-L884 WeakPolarHBondContact O-CB 3.4Å; T880-L884 PolarHBondContact O-N 2.71Å |
| 881 | L | 91.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 174 | -69.8 | 176.9 | 0 | 0 | 0 | 112.4 | L870 A873 V876 D877 E878 Q879 F883 L884 F885 F894 F896 A903 L928 | L870-L881 HydrophobicContact CD1-CD2 4.04Å; A873-L881 HydrophobicContact CB-CD1 4.44Å; V876-L881 HydrophobicContact CB-CD2 4.39Å; V876-L881 HydrophobicContact CB-CG 4.39Å; V876-L881 HydrophobicContact CG1-CD2 4.01Å; V876-L881 HydrophobicContact CG1-CG 3.9Å; D877-L881 WeakPolarHBondContact O-CG 3.47Å; D877-L881 PolarHBondContact O-N 2.91Å; E878-L881 PolarHBondContact O-N 2.85Å; Q879-L881 VanDerWaalsContact C-N 3.31Å; Q879-L881 PolarHBondContact O-N 3.34Å; L881-F883 VanDerWaalsContact C-N 3.31Å; L881-F883 PolarHBondContact O-N 3.4Å; L881-L884 WeakPolarHBondContact O-CB 3.43Å; L881-L884 PolarHBondContact O-N 3.04Å; L881-F885 HydrophobicContact CB-CE2 3.85Å; L881-F885 HydrophobicContact CB-CZ 4.13Å; L881-F885 HydrophobicContact CD2-CZ 4.23Å; L881-F885 WeakPolarHBondContact O-CD2 3.36Å; L881-F885 VanDerWaalsContact O-CE2 3.26Å; L881-F885 WeakPolarHBondContact O-CE2 3.28Å; L881-F885 WeakPolarHBondContact O-CG 3.3Å; L881-F885 PolarHBondContact O-N 3.27Å; L881-F894 HydrophobicContact CB-CZ 4.36Å; L881-F896 HydrophobicContact CD1-CD2 3.97Å; L881-F896 HydrophobicContact CD1-CE2 3.82Å; L881-F896 HydrophobicContact CD1-CZ 4.35Å; L881-A903 HydrophobicContact CD1-CB 3.83Å; L881-L928 HydrophobicContact CD2-CD1 3.91Å |
| 882 | Q | 89.3 | Confident | 87.9 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 177 | -73.6 | -167.4 | 32.9 | 0 | 0 | 112.3 | E878 Q879 S886 F894 | E878-Q882 WeakPolarHBondContact O-CB 3.35Å; E878-Q882 WeakPolarHBondContact O-CG 3.47Å; E878-Q882 PolarHBondContact O-N 3.21Å; E878-Q882 PolarHBondContact OE1-NE2 2.7Å; Q879-Q882 PolarHBondContact O-N 3.08Å; Q882-S886 WeakPolarHBondContact O-CB 3.35Å; Q882-S886 PolarHBondContact O-N 3.14Å; Q882-S886 PolarHBondContact O-OG 2.73Å; Q882-F894 HydrophobicContact CG-CD1 4.04Å; Q882-F894 HydrophobicContact CG-CE1 3.72Å; Q882-F894 HydrophobicContact CG-CZ 4.38Å |
| 883 | F | 89.1 | Confident | 88.1 | Confident | 134 Ų | 134 | 67 Ų | 67 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 174.6 | 179.5 | -104.8 | 0 | 0 | 0 | 112 | Q879 T880 L881 S886 R887 | Q879-F883 WeakPolarHBondContact O-CB 3.34Å; Q879-F883 PolarHBondContact O-N 3.41Å; T880-F883 PolarHBondContact O-N 3.37Å; L881-F883 VanDerWaalsContact C-N 3.31Å; L881-F883 PolarHBondContact O-N 3.4Å; F883-S886 PolarHBondContact O-N 2.99Å; F883-R887 PolarHBondContact O-N 3.36Å |
| 884 | L | 89.8 | Confident | 88.4 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 176.5 | 175.8 | 58 | 0 | 0 | 0 | 112 | T880 L881 S886 R887 I888 L919 E922 | T880-L884 WeakPolarHBondContact O-CB 3.4Å; T880-L884 PolarHBondContact O-N 2.71Å; L881-L884 WeakPolarHBondContact O-CB 3.43Å; L881-L884 PolarHBondContact O-N 3.04Å; L884-S886 PolarHBondContact O-N 2.88Å; L884-R887 PolarHBondContact O-N 3.24Å; L884-I888 HydrophobicContact CD1-CD1 4.31Å; L884-L919 HydrophobicContact CD1-CD1 4.1Å; L884-L919 HydrophobicContact CD2-CD1 3.68Å; L884-L919 HydrophobicContact CG-CD1 3.68Å; L884-E922 HydrophobicContact CD1-CB 3.71Å; L884-E922 HydrophobicContact CD1-CG 4.31Å; L884-E922 VanDerWaalsContact CD1-OE2 3.28Å; L884-E922 WeakPolarHBondContact CD1-OE2 3.47Å |
| 885 | F | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 177.3 | -51.4 | -42.8 | 0 | 0 | 0 | 112.7 | L870 L881 R887 I888 G889 V891 F894 V905 F907 L919 | L870-F885 HydrophobicContact CD1-CE1 3.72Å; L870-F885 HydrophobicContact CD1-CZ 3.54Å; L881-F885 HydrophobicContact CB-CE2 3.85Å; L881-F885 HydrophobicContact CB-CZ 4.13Å; L881-F885 HydrophobicContact CD2-CZ 4.23Å; L881-F885 WeakPolarHBondContact O-CD2 3.36Å; L881-F885 VanDerWaalsContact O-CE2 3.26Å; L881-F885 WeakPolarHBondContact O-CE2 3.28Å; L881-F885 WeakPolarHBondContact O-CG 3.3Å; L881-F885 PolarHBondContact O-N 3.27Å; F885-R887 PolarHBondContact O-N 3.2Å; F885-I888 PolarHBondContact O-N 2.91Å; F885-G889 PolarHBondContact O-N 2.99Å; F885-G889 VanDerWaalsContact O-N 3.12Å; F885-V891 HydrophobicContact CB-CG2 3.68Å; F885-F894 HydrophobicContact CD2-CD2 4.17Å; F885-F894 HydrophobicContact CD2-CE2 4.25Å; F885-F894 AromaticContact CE2-CD2 3.72Å; F885-F894 HydrophobicContact CE2-CD2 3.72Å; F885-F894 AromaticContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CE2 3.46Å; F885-F894 VanDerWaalsContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CZ 4.22Å; F885-F894 HydrophobicContact CZ-CE2 4.33Å; F885-V905 HydrophobicContact CB-CG2 4.29Å; F885-V905 HydrophobicContact CD1-CB 4.32Å; F885-V905 HydrophobicContact CD1-CG1 3.86Å; F885-V905 HydrophobicContact CD1-CG2 4.27Å; F885-V905 HydrophobicContact CD2-CB 4.16Å; F885-V905 HydrophobicContact CD2-CG2 3.91Å; F885-V905 HydrophobicContact CE1-CB 4.29Å; F885-V905 HydrophobicContact CE1-CG1 3.74Å; F885-V905 HydrophobicContact CE2-CB 4.15Å; F885-V905 HydrophobicContact CE2-CG1 4.48Å; F885-V905 HydrophobicContact CE2-CG2 4.4Å; F885-V905 HydrophobicContact CG-CB 4.28Å; F885-V905 HydrophobicContact CG-CG1 4.3Å; F885-V905 HydrophobicContact CG-CG2 3.88Å; F885-V905 HydrophobicContact CZ-CB 4.22Å; F885-V905 HydrophobicContact CZ-CG1 4.09Å; F885-F907 HydrophobicContact CB-CE1 4.08Å; F885-F907 HydrophobicContact CB-CZ 3.86Å; F885-F907 HydrophobicContact CD1-CZ 4.12Å; F885-F907 HydrophobicContact CG-CZ 4.28Å; F885-L919 HydrophobicContact CD1-CD1 4.16Å; F885-L919 HydrophobicContact CE1-CD1 4Å; F885-L919 HydrophobicContact CE1-CD2 4.42Å |
| 886 | S | 87.6 | Confident | 89.4 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -61.7 | -24.9 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | Q882 F883 L884 | Q882-S886 WeakPolarHBondContact O-CB 3.35Å; Q882-S886 PolarHBondContact O-N 3.14Å; Q882-S886 PolarHBondContact O-OG 2.73Å; F883-S886 PolarHBondContact O-N 2.99Å; L884-S886 PolarHBondContact O-N 2.88Å |
| 887 | R | 87.5 | Confident | 89.6 | Confident | 146 Ų | 146 | 63 Ų | 63 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -74.9 | -23.6 | 171.6 | -71.7 | 166.4 | 51.1 | 144.4 | -5 | 113.7 | F883 L884 F885 E922 | F883-R887 PolarHBondContact O-N 3.36Å; L884-R887 PolarHBondContact O-N 3.24Å; F885-R887 PolarHBondContact O-N 3.2Å; R887-E922 IonicContact CZ-OE1 2.85Å; R887-E922 IonicContact CZ-OE2 2.58Å; R887-E922 VanDerWaalsContact CZ-OE2 3.25Å; R887-E922 IonicContact NE-OE1 3.29Å; R887-E922 IonicContact NE-OE2 2.85Å; R887-E922 IonicContact NH1-OE2 3.24Å; R887-E922 IonicContact NH2-OE1 3.76Å; R887-E922 PolarHBondContact NH2-OE1 3.5Å; R887-E922 IonicContact NH2-OE2 2.83Å; R887-E922 PolarHBondContact NH2-OE2 3.27Å |
| 888 | I | 87.5 | Confident | 89.3 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -95.9 | -37.3 | -171.1 | -66.3 | 165 | 0 | 0 | 0 | 111.8 | L884 F885 F907 A915 R918 L919 | L884-I888 HydrophobicContact CD1-CD1 4.31Å; F885-I888 PolarHBondContact O-N 2.91Å; I888-F907 HydrophobicContact CB-CE1 4.29Å; I888-F907 HydrophobicContact CB-CZ 4.21Å; I888-F907 HydrophobicContact CG2-CE1 4.24Å; I888-F907 HydrophobicContact CG2-CZ 4.03Å; I888-A915 HydrophobicContact CG2-CB 3.83Å; I888-R918 HydrophobicContact CG1-CB 4.43Å; I888-R918 HydrophobicContact CG2-CB 4.33Å; I888-L919 HydrophobicContact CD1-CB 3.81Å; I888-L919 HydrophobicContact CD1-CD1 3.4Å; I888-L919 HydrophobicContact CD1-CG 4.2Å |
| 889 | G | 87.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 29% | 0.289 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 173.2 | -176.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F885 V891 | F885-G889 PolarHBondContact O-N 2.99Å; F885-G889 VanDerWaalsContact O-N 3.12Å; G889-V891 PolarHBondContact O-N 3.28Å |
| 890 | T | 89 | Confident | 88.7 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | trans | -68.8 | 114.8 | 176.4 | 41.9 | 0 | 0 | 0 | 0 | 111.2 | Q892 F907 K908 D909 | T890-Q892 PolarHBondContact O-N 3.47Å; T890-F907 CarbonylContact O-C 3.59Å; T890-F907 WeakPolarHBondContact O-CA 3.26Å; T890-K908 PolarHBondContact O-N 3.12Å; T890-D909 WeakPolarHBondContact CB-OD2 3.47Å; T890-D909 WeakPolarHBondContact OG1-CB 3.01Å; T890-D909 PolarHBondContact OG1-N 2.91Å; T890-D909 PolarHBondContact OG1-OD2 3.2Å | ||
| 891 | V | 90.8 | Very high | 88.7 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126.2 | 174.8 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | F885 G889 A893 F894 V905 F907 | F885-V891 HydrophobicContact CB-CG2 3.68Å; G889-V891 PolarHBondContact O-N 3.28Å; V891-A893 WeakPolarHBondContact CG1-O 3.38Å; V891-F894 HydrophobicContact CG1-CB 3.98Å; V891-V905 HydrophobicContact CG1-CG2 4.03Å; V891-V905 HydrophobicContact CG2-CG2 4.06Å; V891-F907 HydrophobicContact CG2-CD1 4.5Å; V891-F907 HydrophobicContact CG2-CE1 4.12Å |
| 892 | Q | 90.3 | Very high | 88.8 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -43.9 | 171.7 | -169.7 | -174.7 | 24.4 | 0 | 0 | 111.2 | T890 K906 K908 | T890-Q892 PolarHBondContact O-N 3.47Å; Q892-K906 WeakPolarHBondContact CA-O 3.33Å; Q892-K906 WeakPolarHBondContact CB-O 3.44Å; Q892-K906 PolarHBondContact N-O 2.77Å; Q892-K908 HydrophobicContact CB-CB 3.9Å; Q892-K908 HydrophobicContact CG-CB 4.4Å |
| 893 | A | 90.7 | Very high | 88.9 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 28% | 0.281 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | W867 V891 K906 | W867-A893 HydrophobicContact CH2-CB 3.61Å; W867-A893 HydrophobicContact CZ2-CB 4.28Å; W867-A893 HydrophobicContact CZ3-CB 4.15Å; V891-A893 WeakPolarHBondContact CG1-O 3.38Å; A893-K906 HydrophobicContact CB-CB 4.16Å; A893-K906 PolarHBondContact N-O 3.4Å; A893-K906 PolarHBondContact O-N 3.16Å |
| 894 | F | 92.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 45 Ų | 45 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 139.8 | 179.1 | 170.6 | -120.1 | 0 | 0 | 0 | 109.4 | E878 L881 Q882 F885 V891 F896 A903 A904 V905 | E878-F894 HydrophobicContact CG-CE1 3.59Å; E878-F894 HydrophobicContact CG-CZ 3.91Å; L881-F894 HydrophobicContact CB-CZ 4.36Å; Q882-F894 HydrophobicContact CG-CD1 4.04Å; Q882-F894 HydrophobicContact CG-CE1 3.72Å; Q882-F894 HydrophobicContact CG-CZ 4.38Å; F885-F894 HydrophobicContact CD2-CD2 4.17Å; F885-F894 HydrophobicContact CD2-CE2 4.25Å; F885-F894 AromaticContact CE2-CD2 3.72Å; F885-F894 HydrophobicContact CE2-CD2 3.72Å; F885-F894 AromaticContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CE2 3.46Å; F885-F894 VanDerWaalsContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CZ 4.22Å; F885-F894 HydrophobicContact CZ-CE2 4.33Å; V891-F894 HydrophobicContact CG1-CB 3.98Å; F894-F896 HydrophobicContact CE1-CB 4.07Å; F894-F896 HydrophobicContact CE2-CB 4.16Å; F894-F896 HydrophobicContact CZ-CB 3.58Å; F894-F896 HydrophobicContact CZ-CG 4.32Å; F894-A903 HydrophobicContact CE2-CB 4.26Å; F894-A904 CarbonylContact C-O 3.58Å; F894-A904 WeakPolarHBondContact CA-O 3.39Å; F894-A904 WeakPolarHBondContact CD2-O 3.48Å; F894-V905 HydrophobicContact CD2-CB 4.36Å |
| 895 | V | 91.5 | Very high | 89.4 | Confident | 40 Ų | 40 | 44.6 Ų | 44.6 | 24% | 0.242 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 122 | -178.2 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | W867 P897 A903 A904 I942 | W867-V895 HydrophobicContact CH2-CG2 3.87Å; W867-V895 HydrophobicContact CZ3-CG2 4.02Å; V895-P897 HydrophobicContact CG1-CG 4Å; V895-A903 CarbonylContact O-C 3.5Å; V895-A903 WeakPolarHBondContact O-CA 3.48Å; V895-A904 HydrophobicContact CB-CB 4.49Å; V895-A904 PolarHBondContact N-O 3.02Å; V895-A904 PolarHBondContact O-N 3.28Å; V895-I942 HydrophobicContact CG1-CD1 3.97Å; V895-I942 HydrophobicContact CG1-CG1 4.11Å; V895-I942 HydrophobicContact CG2-CD1 4.42Å |
| 896 | F | 91.9 | Very high | 89.5 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 21% | 0.211 | 28% | 0.28 | C | S | . | . | trans | -133.7 | 87.2 | 176.1 | -177.9 | -122.9 | 0 | 0 | 0 | 109.2 | A873 E878 L881 F894 P898 A903 | A873-F896 HydrophobicContact CB-CE2 3.99Å; A873-F896 WeakPolarHBondContact O-CE2 3.44Å; E878-F896 HydrophobicContact CB-CD1 3.7Å; E878-F896 HydrophobicContact CB-CE1 3.87Å; E878-F896 HydrophobicContact CG-CB 4.31Å; E878-F896 HydrophobicContact CG-CD1 3.68Å; E878-F896 HydrophobicContact CG-CE1 4.36Å; E878-F896 HydrophobicContact CG-CG 4.29Å; L881-F896 HydrophobicContact CD1-CD2 3.97Å; L881-F896 HydrophobicContact CD1-CE2 3.82Å; L881-F896 HydrophobicContact CD1-CZ 4.35Å; F894-F896 HydrophobicContact CE1-CB 4.07Å; F894-F896 HydrophobicContact CE2-CB 4.16Å; F894-F896 HydrophobicContact CZ-CB 3.58Å; F894-F896 HydrophobicContact CZ-CG 4.32Å; F896-P898 WeakPolarHBondContact O-CD 3.48Å; F896-A903 HydrophobicContact CD2-CB 3.81Å; F896-A903 HydrophobicContact CE2-CB 4.48Å | ||
| 897 | P | 88.9 | Confident | 89.6 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 16% | 0.156 | 25% | 0.253 | C | S | . | . | trans | -74 | 118.3 | -176.6 | -10.6 | 26.1 | 0 | 0 | 0 | 109.4 | V895 G899 S900 F902 | V895-P897 HydrophobicContact CG1-CG 4Å; P897-G899 PolarHBondContact O-N 3.08Å; P897-S900 WeakPolarHBondContact CD-OG 3.3Å; P897-S900 VanDerWaalsContact O-CB 3.26Å; P897-S900 WeakPolarHBondContact O-CB 3.44Å; P897-S900 PolarHBondContact O-N 2.87Å; P897-S900 PolarHBondContact O-OG 3.44Å; P897-F902 HydrophobicContact CG-CE1 3.98Å; P897-F902 HydrophobicContact CG-CE2 4.18Å; P897-F902 HydrophobicContact CG-CZ 3.61Å | ||
| 898 | P | 81.8 | Confident | 89.6 | Confident | 85 Ų | 85 | 40.3 Ų | 40.3 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 126.6 | -172.5 | 21.3 | -31.8 | 0 | 0 | 0 | 111.4 | F896 R949 | F896-P898 WeakPolarHBondContact O-CD 3.48Å; P898-R949 PolarHBondContact O-NH2 3.15Å |
| 899 | G | 80.6 | Confident | 89 | Confident | 86 Ų | 86 | 44.7 Ų | 44.7 | 89% | 0.887 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 0.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P897 | P897-G899 PolarHBondContact O-N 3.08Š|
| 900 | S | 84.7 | Confident | 88.5 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80.6 | -15.7 | -180 | 67.2 | 0 | 0 | 0 | 0 | 115.1 | P897 F902 | P897-S900 WeakPolarHBondContact CD-OG 3.3Å; P897-S900 VanDerWaalsContact O-CB 3.26Å; P897-S900 WeakPolarHBondContact O-CB 3.44Å; P897-S900 PolarHBondContact O-N 2.87Å; P897-S900 PolarHBondContact O-OG 3.44Å; S900-F902 PolarHBondContact O-N 3.21Å; S900-F902 WeakPolarHBondContact OG-CD1 3.43Å; S900-F902 PolarHBondContact OG-N 3.25Å; S900-F902 PolarHBondContact OG-O 2.99Å |
| 901 | G | 88.6 | Confident | 88.2 | Confident | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 70.3 | 6.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N872 A873 | N872-G901 PolarHBondContact N-O 2.8Å; N872-G901 VanDerWaalsContact N-O 3.15Å; A873-G901 PolarHBondContact N-O 3.3Å |
| 902 | F | 92.8 | Very high | 88 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 4% | 0.044 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.6 | 175.2 | 83.7 | -91.9 | 0 | 0 | 0 | 113 | V869 L870 L871 P897 S900 A904 L941 I942 | V869-F902 HydrophobicContact CG1-CD2 4.41Å; L870-F902 CarbonylContact O-C 3.6Å; L870-F902 WeakPolarHBondContact O-CA 3.44Å; L870-F902 VanDerWaalsContact O-CB 3.32Å; L870-F902 WeakPolarHBondContact O-CB 3.47Å; L871-F902 HydrophobicContact CD2-CB 4.18Å; P897-F902 HydrophobicContact CG-CE1 3.98Å; P897-F902 HydrophobicContact CG-CE2 4.18Å; P897-F902 HydrophobicContact CG-CZ 3.61Å; S900-F902 PolarHBondContact O-N 3.21Å; S900-F902 WeakPolarHBondContact OG-CD1 3.43Å; S900-F902 PolarHBondContact OG-N 3.25Å; S900-F902 PolarHBondContact OG-O 2.99Å; F902-A904 HydrophobicContact CE2-CB 4.5Å; F902-L941 HydrophobicContact CD1-CB 4.41Å; F902-L941 HydrophobicContact CD2-CB 4.49Å; F902-L941 HydrophobicContact CD2-CD1 4.49Å; F902-L941 HydrophobicContact CE1-CB 3.8Å; F902-L941 WeakPolarHBondContact CE1-O 3.26Å; F902-L941 HydrophobicContact CE2-CB 3.9Å; F902-L941 HydrophobicContact CZ-CB 3.51Å; F902-I942 HydrophobicContact CZ-CG1 4.24Å |
| 903 | A | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V869 L870 A873 L881 F894 V895 F896 | V869-A903 CarbonylContact C-O 3.55Å; V869-A903 WeakPolarHBondContact CA-O 3.27Å; L870-A903 HydrophobicContact CB-CB 4.28Å; L870-A903 HydrophobicContact CD1-CB 4.45Å; L870-A903 PolarHBondContact N-O 3.43Å; L870-A903 PolarHBondContact O-N 3.16Å; A873-A903 HydrophobicContact CB-CB 4.09Å; L881-A903 HydrophobicContact CD1-CB 3.83Å; F894-A903 HydrophobicContact CE2-CB 4.26Å; V895-A903 CarbonylContact O-C 3.5Å; V895-A903 WeakPolarHBondContact O-CA 3.48Å; F896-A903 HydrophobicContact CD2-CB 3.81Å; F896-A903 HydrophobicContact CE2-CB 4.48Å |
| 904 | A | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W867 I868 V869 F894 V895 F902 V938 | W867-A904 HydrophobicContact CE3-CB 3.7Å; W867-A904 HydrophobicContact CZ3-CB 4.06Å; I868-A904 WeakPolarHBondContact O-CA 3.28Å; V869-A904 HydrophobicContact CG2-CB 4.1Å; F894-A904 CarbonylContact C-O 3.58Å; F894-A904 WeakPolarHBondContact CA-O 3.39Å; F894-A904 WeakPolarHBondContact CD2-O 3.48Å; V895-A904 HydrophobicContact CB-CB 4.49Å; V895-A904 PolarHBondContact N-O 3.02Å; V895-A904 PolarHBondContact O-N 3.28Å; F902-A904 HydrophobicContact CE2-CB 4.5Å; A904-V938 HydrophobicContact CB-CG1 3.8Å; A904-V938 HydrophobicContact CB-CG2 4.32Å |
| 905 | V | 94.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.2 | 178.3 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | W867 I868 F885 V891 F894 F907 | W867-V905 WeakPolarHBondContact CA-O 3.37Å; W867-V905 VanDerWaalsContact CE3-C 3.45Å; I868-V905 HydrophobicContact CB-CG1 4.02Å; I868-V905 PolarHBondContact N-O 3.49Å; I868-V905 PolarHBondContact O-N 2.9Å; F885-V905 HydrophobicContact CB-CG2 4.29Å; F885-V905 HydrophobicContact CD1-CB 4.32Å; F885-V905 HydrophobicContact CD1-CG1 3.86Å; F885-V905 HydrophobicContact CD1-CG2 4.27Å; F885-V905 HydrophobicContact CD2-CB 4.16Å; F885-V905 HydrophobicContact CD2-CG2 3.91Å; F885-V905 HydrophobicContact CE1-CB 4.29Å; F885-V905 HydrophobicContact CE1-CG1 3.74Å; F885-V905 HydrophobicContact CE2-CB 4.15Å; F885-V905 HydrophobicContact CE2-CG1 4.48Å; F885-V905 HydrophobicContact CE2-CG2 4.4Å; F885-V905 HydrophobicContact CG-CB 4.28Å; F885-V905 HydrophobicContact CG-CG1 4.3Å; F885-V905 HydrophobicContact CG-CG2 3.88Å; F885-V905 HydrophobicContact CZ-CB 4.22Å; F885-V905 HydrophobicContact CZ-CG1 4.09Å; V891-V905 HydrophobicContact CG1-CG2 4.03Å; V891-V905 HydrophobicContact CG2-CG2 4.06Å; F894-V905 HydrophobicContact CD2-CB 4.36Å; V905-F907 HydrophobicContact CG1-CD2 4.49Å; V905-F907 HydrophobicContact CG1-CE2 3.72Å; V905-F907 HydrophobicContact CG1-CZ 4.27Å; V905-F907 HydrophobicContact CG2-CD2 4.45Å; V905-F907 HydrophobicContact CG2-CE2 3.98Å; V905-F907 HydrophobicContact CG2-CZ 4.04Å |
| 906 | K | 93.5 | Very high | 87.7 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.3 | 174.2 | -158.6 | 171.5 | -168.8 | 163.3 | 0 | 107.8 | Q865 W867 Q892 A893 D935 | Q865-K906 VanDerWaalsContact C-CE 3.48Å; Q865-K906 WeakPolarHBondContact O-CE 3.47Å; Q865-K906 PolarHBondContact O-NZ 3.41Å; Q865-K906 VanDerWaalsContact O-NZ 3.09Å; W867-K906 HydrophobicContact CD2-CB 3.91Å; W867-K906 HydrophobicContact CD2-CD 4.28Å; W867-K906 HydrophobicContact CD2-CG 4.39Å; W867-K906 HydrophobicContact CE3-CB 3.87Å; W867-K906 HydrophobicContact CG-CB 4.46Å; W867-K906 HydrophobicContact CH2-CB 4.37Å; W867-K906 HydrophobicContact CZ2-CB 4.41Å; W867-K906 HydrophobicContact CZ2-CD 4.17Å; W867-K906 HydrophobicContact CZ3-CB 4.11Å; Q892-K906 WeakPolarHBondContact CA-O 3.33Å; Q892-K906 WeakPolarHBondContact CB-O 3.44Å; Q892-K906 PolarHBondContact N-O 2.77Å; A893-K906 HydrophobicContact CB-CB 4.16Å; A893-K906 PolarHBondContact N-O 3.4Å; A893-K906 PolarHBondContact O-N 3.16Å; K906-D935 IonicContact NZ-OD1 2.77Å; K906-D935 PolarHBondContact NZ-OD1 3.43Å; K906-D935 IonicContact NZ-OD2 3.68Å; K906-D935 PolarHBondContact NZ-OD2 3.39Å |
| 907 | F | 91.7 | Very high | 87.7 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 143.9 | -178.8 | -71.1 | -85.4 | 0 | 0 | 0 | 111.2 | I868 F885 I888 T890 V891 V905 A910 A915 | I868-F907 HydrophobicContact CD1-CD2 4.38Å; I868-F907 HydrophobicContact CD1-CE2 4.07Å; F885-F907 HydrophobicContact CB-CE1 4.08Å; F885-F907 HydrophobicContact CB-CZ 3.86Å; F885-F907 HydrophobicContact CD1-CZ 4.12Å; F885-F907 HydrophobicContact CG-CZ 4.28Å; I888-F907 HydrophobicContact CB-CE1 4.29Å; I888-F907 HydrophobicContact CB-CZ 4.21Å; I888-F907 HydrophobicContact CG2-CE1 4.24Å; I888-F907 HydrophobicContact CG2-CZ 4.03Å; T890-F907 CarbonylContact O-C 3.59Å; T890-F907 WeakPolarHBondContact O-CA 3.26Å; V891-F907 HydrophobicContact CG2-CD1 4.5Å; V891-F907 HydrophobicContact CG2-CE1 4.12Å; V905-F907 HydrophobicContact CG1-CD2 4.49Å; V905-F907 HydrophobicContact CG1-CE2 3.72Å; V905-F907 HydrophobicContact CG1-CZ 4.27Å; V905-F907 HydrophobicContact CG2-CD2 4.45Å; V905-F907 HydrophobicContact CG2-CE2 3.98Å; V905-F907 HydrophobicContact CG2-CZ 4.04Å; F907-A910 HydrophobicContact CB-CB 4.15Å; F907-A915 HydrophobicContact CD2-CB 3.78Å; F907-A915 HydrophobicContact CE2-CB 3.92Å; F907-A915 HydrophobicContact CG-CB 4.4Å |
| 908 | K | 86.2 | Confident | 87.7 | Confident | 123 Ų | 123 | 52.7 Ų | 52.7 | 54% | 0.535 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -83.5 | -45.9 | -174.6 | -178.2 | -178.9 | 159.5 | -73 | 0 | 112.2 | T890 Q892 | T890-K908 PolarHBondContact O-N 3.12Å; Q892-K908 HydrophobicContact CB-CB 3.9Å; Q892-K908 HydrophobicContact CG-CB 4.4Å |
| 909 | D | 75.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 48.7 Ų | 48.7 | 56% | 0.556 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -118.7 | 18.3 | -168.7 | -50 | -70.1 | 0 | 0 | 0 | 112.5 | T890 | T890-D909 WeakPolarHBondContact CB-OD2 3.47Å; T890-D909 WeakPolarHBondContact OG1-CB 3.01Å; T890-D909 PolarHBondContact OG1-N 2.91Å; T890-D909 PolarHBondContact OG1-OD2 3.2Å |
| 910 | A | 76.2 | Confident | 88.6 | Confident | 28 Ų | 28 | 49 Ų | 49 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -132.9 | 142 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F907 A912 | F907-A910 HydrophobicContact CB-CB 4.15Å; A910-A912 PolarHBondContact O-N 3.42Å |
| 911 | S | 84 | Confident | 88.7 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | trans | -61.8 | 132.9 | 165 | 150.3 | 0 | 0 | 0 | 0 | 109.2 | E913 K914 A915 | S911-E913 PolarHBondContact O-N 3.44Å; S911-E913 PolarHBondContact OG-N 3.19Å; S911-E913 PolarHBondContact OG-OE2 3.31Å; S911-E913 VanDerWaalsContact OG-OE2 3.1Å; S911-K914 PolarHBondContact O-N 3.09Å; S911-K914 VanDerWaalsContact O-N 3.1Å; S911-K914 PolarHBondContact OG-N 3.45Å; S911-A915 PolarHBondContact O-N 3.06Å | ||
| 912 | A | 85.7 | Confident | 88.7 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -31.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q866 I868 A910 A915 L916 L932 | Q866-A912 HydrophobicContact CB-CB 3.78Å; I868-A912 HydrophobicContact CG1-CB 4.42Å; A910-A912 PolarHBondContact O-N 3.42Å; A912-A915 PolarHBondContact O-N 2.63Å; A912-L916 VanDerWaalsContact O-CB 3.31Å; A912-L916 WeakPolarHBondContact O-CB 3.49Å; A912-L916 PolarHBondContact O-N 3.31Å; A912-L932 HydrophobicContact CB-CD2 3.48Å; A912-L932 VanDerWaalsContact CB-CD2 3.48Å |
| 913 | E | 87.8 | Confident | 88.4 | Confident | 110 Ų | 110 | 52.9 Ų | 52.9 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 174.9 | -54 | 154.6 | 140.6 | 0 | 0 | 110.8 | S911 A915 L916 V917 L932 | S911-E913 PolarHBondContact O-N 3.44Å; S911-E913 PolarHBondContact OG-N 3.19Å; S911-E913 PolarHBondContact OG-OE2 3.31Å; S911-E913 VanDerWaalsContact OG-OE2 3.1Å; E913-A915 VanDerWaalsContact C-N 3.33Å; E913-A915 PolarHBondContact O-N 2.68Å; E913-L916 PolarHBondContact O-N 2.85Å; E913-V917 WeakPolarHBondContact O-CG2 3.39Å; E913-V917 PolarHBondContact O-N 2.84Å; E913-L932 HydrophobicContact CG-CD1 3.91Å |
| 914 | K | 88.2 | Confident | 88.1 | Confident | 152 Ų | 152 | 56.5 Ų | 56.5 | 66% | 0.661 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67.8 | -33.5 | 177.3 | -66.5 | -173.5 | 178.7 | -177.7 | 0 | 112.2 | S911 R918 | S911-K914 PolarHBondContact O-N 3.09Å; S911-K914 VanDerWaalsContact O-N 3.1Å; S911-K914 PolarHBondContact OG-N 3.45Å; K914-R918 WeakPolarHBondContact O-CG 3.44Å; K914-R918 PolarHBondContact O-N 3.31Å |
| 915 | A | 90.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I868 I888 F907 S911 A912 E913 R918 L919 | I868-A915 HydrophobicContact CD1-CB 3.75Å; I888-A915 HydrophobicContact CG2-CB 3.83Å; F907-A915 HydrophobicContact CD2-CB 3.78Å; F907-A915 HydrophobicContact CE2-CB 3.92Å; F907-A915 HydrophobicContact CG-CB 4.4Å; S911-A915 PolarHBondContact O-N 3.06Å; A912-A915 PolarHBondContact O-N 2.63Å; E913-A915 VanDerWaalsContact C-N 3.33Å; E913-A915 PolarHBondContact O-N 2.68Å; A915-R918 PolarHBondContact O-N 2.61Å; A915-L919 VanDerWaalsContact O-CB 3.28Å; A915-L919 WeakPolarHBondContact O-CB 3.49Å; A915-L919 PolarHBondContact O-N 2.82Å |
| 916 | L | 91.9 | Very high | 87.2 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 175.9 | 176.7 | 59.7 | 0 | 0 | 0 | 111.7 | I868 A912 E913 R918 L919 Q920 A930 L932 | I868-L916 HydrophobicContact CD1-CB 3.99Å; I868-L916 HydrophobicContact CG2-CD1 4.12Å; A912-L916 VanDerWaalsContact O-CB 3.31Å; A912-L916 WeakPolarHBondContact O-CB 3.49Å; A912-L916 PolarHBondContact O-N 3.31Å; E913-L916 PolarHBondContact O-N 2.85Å; L916-R918 PolarHBondContact O-N 3.39Å; L916-L919 PolarHBondContact O-N 2.92Å; L916-L919 VanDerWaalsContact O-N 3.08Å; L916-Q920 VanDerWaalsContact O-CB 3.27Å; L916-Q920 WeakPolarHBondContact O-CB 3.35Å; L916-Q920 PolarHBondContact O-N 2.91Å; L916-A930 HydrophobicContact CD1-CB 3.4Å; L916-A930 VanDerWaalsContact CD1-CB 3.4Å; L916-L932 HydrophobicContact CD2-CD1 4.26Å; L916-L932 HydrophobicContact CD2-CD2 4.48Å; L916-L932 HydrophobicContact CD2-CG 3.83Å |
| 917 | V | 90.8 | Very high | 86.8 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60 | -30.3 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | E913 P921 | E913-V917 WeakPolarHBondContact O-CG2 3.39Å; E913-V917 PolarHBondContact O-N 2.84Å; V917-P921 WeakPolarHBondContact O-CD 3.48Å |
| 918 | R | 89.8 | Confident | 86.8 | Confident | 162 Ų | 162 | 65.2 Ų | 65.2 | 61% | 0.611 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -79.9 | -37 | 173 | -70.5 | 174.4 | 175 | -177.9 | -3.3 | 113.3 | I888 K914 A915 L916 | I888-R918 HydrophobicContact CG1-CB 4.43Å; I888-R918 HydrophobicContact CG2-CB 4.33Å; K914-R918 WeakPolarHBondContact O-CG 3.44Å; K914-R918 PolarHBondContact O-N 3.31Å; A915-R918 PolarHBondContact O-N 2.61Å; L916-R918 PolarHBondContact O-N 3.39Å |
| 919 | L | 90.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.4 | -37.5 | -179 | -173.9 | 69.7 | 0 | 0 | 0 | 112.1 | I868 L870 L884 F885 I888 A915 L916 E922 C923 A930 | I868-L919 HydrophobicContact CD1-CD2 4.34Å; I868-L919 HydrophobicContact CG2-CD2 3.67Å; L870-L919 HydrophobicContact CD2-CD2 4.12Å; L870-L919 HydrophobicContact CG-CD2 4.49Å; L884-L919 HydrophobicContact CD1-CD1 4.1Å; L884-L919 HydrophobicContact CD2-CD1 3.68Å; L884-L919 HydrophobicContact CG-CD1 3.68Å; F885-L919 HydrophobicContact CD1-CD1 4.16Å; F885-L919 HydrophobicContact CE1-CD1 4Å; F885-L919 HydrophobicContact CE1-CD2 4.42Å; I888-L919 HydrophobicContact CD1-CB 3.81Å; I888-L919 HydrophobicContact CD1-CD1 3.4Å; I888-L919 HydrophobicContact CD1-CG 4.2Å; A915-L919 VanDerWaalsContact O-CB 3.28Å; A915-L919 WeakPolarHBondContact O-CB 3.49Å; A915-L919 PolarHBondContact O-N 2.82Å; L916-L919 PolarHBondContact O-N 2.92Å; L916-L919 VanDerWaalsContact O-N 3.08Å; L919-E922 PolarHBondContact O-N 3.1Å; L919-C923 VanDerWaalsContact CD1-SG 3.6Å; L919-C923 VanDerWaalsContact CG-SG 3.55Å; L919-C923 WeakPolarHBondContact O-CB 3.4Å; L919-C923 PolarHBondContact O-N 3.24Å; L919-A930 HydrophobicContact CD2-CB 4.05Å |
| 920 | Q | 89.8 | Confident | 87.7 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | -168.1 | -177.1 | 174.6 | -2 | 0 | 0 | 114.1 | L916 S924 | L916-Q920 VanDerWaalsContact O-CB 3.27Å; L916-Q920 WeakPolarHBondContact O-CB 3.35Å; L916-Q920 PolarHBondContact O-N 2.91Å; Q920-S924 VanDerWaalsContact O-CB 3.25Å; Q920-S924 WeakPolarHBondContact O-CB 3.44Å; Q920-S924 PolarHBondContact O-N 3.25Å; Q920-S924 PolarHBondContact O-OG 3.45Å |
| 921 | P | 88.6 | Confident | 88.4 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.6 | -47.4 | 174.2 | -22.2 | 34.6 | 0 | 0 | 0 | 113 | V917 C923 S924 A925 | V917-P921 WeakPolarHBondContact O-CD 3.48Å; P921-C923 VanDerWaalsContact C-N 3.34Å; P921-C923 PolarHBondContact O-N 3.21Å; P921-S924 PolarHBondContact O-N 2.87Å; P921-A925 PolarHBondContact O-N 3.1Å; P921-A925 VanDerWaalsContact O-N 3.13Å |
| 922 | E | 86.9 | Confident | 88.9 | Confident | 64 Ų | 64 | 61.2 Ų | 61.2 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | -179.5 | -64.2 | -163.5 | -143.7 | 0 | 0 | 111.5 | L884 R887 L919 I926 | L884-E922 HydrophobicContact CD1-CB 3.71Å; L884-E922 HydrophobicContact CD1-CG 4.31Å; L884-E922 VanDerWaalsContact CD1-OE2 3.28Å; L884-E922 WeakPolarHBondContact CD1-OE2 3.47Å; R887-E922 IonicContact CZ-OE1 2.85Å; R887-E922 IonicContact CZ-OE2 2.58Å; R887-E922 VanDerWaalsContact CZ-OE2 3.25Å; R887-E922 IonicContact NE-OE1 3.29Å; R887-E922 IonicContact NE-OE2 2.85Å; R887-E922 IonicContact NH1-OE2 3.24Å; R887-E922 IonicContact NH2-OE1 3.76Å; R887-E922 PolarHBondContact NH2-OE1 3.5Å; R887-E922 IonicContact NH2-OE2 2.83Å; R887-E922 PolarHBondContact NH2-OE2 3.27Å; L919-E922 PolarHBondContact O-N 3.1Å; E922-I926 WeakPolarHBondContact O-CD1 3.31Å; E922-I926 WeakPolarHBondContact O-CG1 3.5Å |
| 923 | C | 87.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.5 | -40.2 | 174.1 | -79.9 | 0 | 0 | 0 | 0 | 113.8 | L870 L919 P921 A925 I926 G927 L928 | L870-C923 HydrophobicContact CD2-CB 4.16Å; L870-C923 WeakPolarHBondContact CD2-SG 3.48Å; L919-C923 VanDerWaalsContact CD1-SG 3.6Å; L919-C923 VanDerWaalsContact CG-SG 3.55Å; L919-C923 WeakPolarHBondContact O-CB 3.4Å; L919-C923 PolarHBondContact O-N 3.24Å; P921-C923 VanDerWaalsContact C-N 3.34Å; P921-C923 PolarHBondContact O-N 3.21Å; C923-A925 VanDerWaalsContact C-N 3.26Å; C923-A925 PolarHBondContact O-N 2.91Å; C923-I926 CarbonylContact O-C 3.5Å; C923-I926 PolarHBondContact O-N 2.84Å; C923-G927 PolarHBondContact O-N 2.82Å; C923-G927 VanDerWaalsContact O-N 3.17Å; C923-L928 CarbonylContact C-O 3.58Å; C923-L928 HydrophobicContact CB-CB 3.85Å; C923-L928 PolarHBondContact O-N 2.8Å |
| 924 | S | 86.8 | Confident | 89.3 | Confident | 75 Ų | 75 | 62.1 Ų | 62.1 | 52% | 0.524 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -34.7 | 179.4 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | Q920 P921 I926 G927 | Q920-S924 VanDerWaalsContact O-CB 3.25Å; Q920-S924 WeakPolarHBondContact O-CB 3.44Å; Q920-S924 PolarHBondContact O-N 3.25Å; Q920-S924 PolarHBondContact O-OG 3.45Å; P921-S924 PolarHBondContact O-N 2.87Å; S924-I926 PolarHBondContact O-N 2.88Å; S924-G927 PolarHBondContact O-N 3.22Å |
| 925 | A | 85.9 | Confident | 89.3 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 74% | 0.736 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | P921 C923 | P921-A925 PolarHBondContact O-N 3.1Å; P921-A925 VanDerWaalsContact O-N 3.13Å; C923-A925 VanDerWaalsContact C-N 3.26Å; C923-A925 PolarHBondContact O-N 2.91Å |
| 926 | I | 83.6 | Confident | 89.2 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 8.1 | -178.4 | -46.7 | 166.2 | 0 | 0 | 0 | 110.7 | V876 E922 C923 S924 L928 | V876-I926 HydrophobicContact CG2-CG2 3.45Å; V876-I926 VanDerWaalsContact CG2-CG2 3.45Å; E922-I926 WeakPolarHBondContact O-CD1 3.31Å; E922-I926 WeakPolarHBondContact O-CG1 3.5Å; C923-I926 CarbonylContact O-C 3.5Å; C923-I926 PolarHBondContact O-N 2.84Å; S924-I926 PolarHBondContact O-N 2.88Å; I926-L928 VanDerWaalsContact C-N 3.27Å; I926-L928 PolarHBondContact O-N 2.71Å |
| 927 | G | 85.2 | Confident | 89.1 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 38% | 0.381 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 13.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N872 C923 S924 | N872-G927 PolarHBondContact ND2-O 2.98Å; N872-G927 VanDerWaalsContact ND2-O 3.14Å; C923-G927 PolarHBondContact O-N 2.82Å; C923-G927 VanDerWaalsContact O-N 3.17Å; S924-G927 PolarHBondContact O-N 3.22Å |
| 928 | L | 89.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | trans | -87.5 | 131 | 176.8 | -62.7 | -178.2 | 0 | 0 | 0 | 111.4 | L870 N872 A873 V876 L881 C923 I926 | L870-L928 HydrophobicContact CD2-CB 4.13Å; L870-L928 HydrophobicContact CD2-CD1 4.47Å; N872-L928 VanDerWaalsContact C-CD2 3.42Å; N872-L928 HydrophobicContact CB-CD2 4.31Å; N872-L928 VanDerWaalsContact O-CD2 3.27Å; N872-L928 WeakPolarHBondContact O-CD2 3.05Å; A873-L928 HydrophobicContact CB-CD2 4.43Å; V876-L928 HydrophobicContact CB-CD1 4.5Å; V876-L928 HydrophobicContact CG2-CD1 3.91Å; V876-L928 HydrophobicContact CG2-CD2 4.11Å; V876-L928 HydrophobicContact CG2-CG 4.15Å; L881-L928 HydrophobicContact CD2-CD1 3.91Å; C923-L928 CarbonylContact C-O 3.58Å; C923-L928 HydrophobicContact CB-CB 3.85Å; C923-L928 PolarHBondContact O-N 2.8Å; I926-L928 VanDerWaalsContact C-N 3.27Å; I926-L928 PolarHBondContact O-N 2.71Å | ||
| 929 | T | 89.6 | Confident | 89 | Confident | 67 Ų | 67 | 56.4 Ų | 56.4 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 107.9 | 177.8 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | L870 L871 | L870-T929 WeakPolarHBondContact CA-O 3.4Å; L871-T929 PolarHBondContact N-O 2.86Å; L871-T929 PolarHBondContact O-N 2.99Å; L871-T929 VanDerWaalsContact O-N 3.16Å |
| 930 | A | 92.2 | Very high | 89 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I868 V869 L870 L916 L919 | I868-A930 HydrophobicContact CG2-CB 4.24Å; V869-A930 CarbonylContact O-C 3.57Å; V869-A930 WeakPolarHBondContact O-CA 3.39Å; L870-A930 HydrophobicContact CD2-CB 3.6Å; L916-A930 HydrophobicContact CD1-CB 3.4Å; L916-A930 VanDerWaalsContact CD1-CB 3.4Å; L919-A930 HydrophobicContact CD2-CB 4.05Å |
| 931 | H | 91.5 | Very high | 88.9 | Confident | 69 Ų | 69 | 61 Ų | 61 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159 | 173.7 | 64.5 | -77.5 | 0 | 0 | 0 | 112.6 | I868 V869 | I868-H931 CarbonylContact C-O 3.51Å; I868-H931 WeakPolarHBondContact CA-O 3.38Å; V869-H931 VanDerWaalsContact CG1-CE1 3.44Å; V869-H931 WeakPolarHBondContact CG1-CE1 3.4Å; V869-H931 PolarHBondContact N-O 2.83Å; V869-H931 PolarHBondContact O-N 3.45Å; V869-H931 PolarHBondContact O-ND1 2.9Å |
| 932 | L | 93.8 | Very high | 88.8 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136.6 | 173.4 | -67.8 | 165.6 | 0 | 0 | 0 | 110.8 | Q866 W867 I868 A912 E913 L916 | Q866-L932 HydrophobicContact CB-CD2 4.36Å; W867-L932 WeakPolarHBondContact O-CA 3.25Å; I868-L932 HydrophobicContact CG1-CD2 4.13Å; A912-L932 HydrophobicContact CB-CD2 3.48Å; A912-L932 VanDerWaalsContact CB-CD2 3.48Å; E913-L932 HydrophobicContact CG-CD1 3.91Å; L916-L932 HydrophobicContact CD2-CD1 4.26Å; L916-L932 HydrophobicContact CD2-CD2 4.48Å; L916-L932 HydrophobicContact CD2-CG 3.83Å |
| 933 | A | 91.5 | Very high | 88.8 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W867 V869 E937 V938 | W867-A933 PolarHBondContact N-O 3.45Å; W867-A933 PolarHBondContact O-N 2.87Å; V869-A933 HydrophobicContact CB-CB 4.39Å; V869-A933 HydrophobicContact CG2-CB 3.58Å; A933-E937 WeakPolarHBondContact CA-OE2 3.23Å; A933-E937 HydrophobicContact CB-CB 4.26Å; A933-V938 HydrophobicContact CB-CG2 4.03Å |
| 934 | K | 90.8 | Very high | 88.5 | Confident | 131 Ų | 131 | 65.6 Ų | 65.6 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | trans | -88.2 | 160.5 | 173.1 | -59.6 | 174.4 | -162.5 | 122.2 | 0 | 110.8 | A936 E937 V938 | K934-A936 VanDerWaalsContact C-N 3.26Å; K934-A936 PolarHBondContact O-N 3.11Å; K934-E937 HydrophobicContact CB-CG 4.39Å; K934-E937 PolarHBondContact N-OE2 3.3Å; K934-E937 IonicContact NZ-OE1 3.65Å; K934-E937 PolarHBondContact NZ-OE1 3.23Å; K934-E937 WeakPolarHBondContact O-CB 3.42Å; K934-E937 PolarHBondContact O-N 3.41Å; K934-V938 PolarHBondContact O-N 3.18Å; K934-V938 VanDerWaalsContact O-N 3.11Å | ||
| 935 | D | 88.6 | Confident | 87.9 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -49.1 | -46.5 | 175.7 | -67.3 | -60.5 | 0 | 0 | 0 | 112.3 | W867 K906 E937 V938 E939 | W867-D935 PolarHBondContact NE1-OD1 3.19Å; K906-D935 IonicContact NZ-OD1 2.77Å; K906-D935 PolarHBondContact NZ-OD1 3.43Å; K906-D935 IonicContact NZ-OD2 3.68Å; K906-D935 PolarHBondContact NZ-OD2 3.39Å; D935-E937 VanDerWaalsContact C-N 3.28Å; D935-E937 PolarHBondContact O-N 3.18Å; D935-V938 PolarHBondContact O-N 3.24Å; D935-E939 WeakPolarHBondContact O-CB 3.38Å; D935-E939 PolarHBondContact O-N 3.46Å |
| 936 | A | 88 | Confident | 86.9 | Confident | 61 Ų | 61 | 62 Ų | 62 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -10.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K934 K940 | K934-A936 VanDerWaalsContact C-N 3.26Å; K934-A936 PolarHBondContact O-N 3.11Å; A936-K940 WeakPolarHBondContact O-CD 3.47Å; A936-K940 WeakPolarHBondContact O-CG 3.43Å |
| 937 | E | 88.4 | Confident | 85.6 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -89.5 | -40.6 | 172.8 | -69.7 | 154.4 | -171.3 | 0 | 0 | 109.3 | A933 K934 D935 K940 L941 | A933-E937 WeakPolarHBondContact CA-OE2 3.23Å; A933-E937 HydrophobicContact CB-CB 4.26Å; K934-E937 HydrophobicContact CB-CG 4.39Å; K934-E937 PolarHBondContact N-OE2 3.3Å; K934-E937 IonicContact NZ-OE1 3.65Å; K934-E937 PolarHBondContact NZ-OE1 3.23Å; K934-E937 WeakPolarHBondContact O-CB 3.42Å; K934-E937 PolarHBondContact O-N 3.41Å; D935-E937 VanDerWaalsContact C-N 3.28Å; D935-E937 PolarHBondContact O-N 3.18Å; E937-K940 PolarHBondContact O-N 3.32Å; E937-L941 PolarHBondContact O-N 2.77Å |
| 938 | V | 90.9 | Very high | 83.9 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 171.7 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | W867 V869 A904 A933 K934 D935 K940 L941 I942 | W867-V938 HydrophobicContact CB-CG2 3.69Å; W867-V938 HydrophobicContact CD2-CB 4.48Å; W867-V938 HydrophobicContact CD2-CG1 4.26Å; W867-V938 HydrophobicContact CD2-CG2 4.02Å; W867-V938 HydrophobicContact CE3-CG1 4.44Å; W867-V938 HydrophobicContact CG-CB 4.41Å; W867-V938 HydrophobicContact CG-CG2 3.6Å; V869-V938 HydrophobicContact CG2-CG2 3.62Å; A904-V938 HydrophobicContact CB-CG1 3.8Å; A904-V938 HydrophobicContact CB-CG2 4.32Å; A933-V938 HydrophobicContact CB-CG2 4.03Å; K934-V938 PolarHBondContact O-N 3.18Å; K934-V938 VanDerWaalsContact O-N 3.11Å; D935-V938 PolarHBondContact O-N 3.24Å; V938-K940 VanDerWaalsContact C-N 3.3Å; V938-K940 PolarHBondContact O-N 2.77Å; V938-L941 PolarHBondContact O-N 3.36Å; V938-L941 VanDerWaalsContact O-N 3.17Å; V938-I942 HydrophobicContact CG1-CD1 3.92Å; V938-I942 HydrophobicContact CG1-CG1 4.45Å; V938-I942 WeakPolarHBondContact O-CG1 3.12Å; V938-I942 PolarHBondContact O-N 2.79Å |
| 939 | E | 89.6 | Confident | 81.6 | Confident | 110 Ų | 110 | 77.4 Ų | 77.4 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 176.4 | -162.3 | -169.8 | 161.9 | 0 | 0 | 111.6 | D935 L941 I942 Q943 | D935-E939 WeakPolarHBondContact O-CB 3.38Å; D935-E939 PolarHBondContact O-N 3.46Å; E939-L941 PolarHBondContact O-N 3.37Å; E939-I942 PolarHBondContact O-N 3.23Å; E939-Q943 WeakPolarHBondContact O-CB 3.49Å; E939-Q943 VanDerWaalsContact O-CG 3.28Å; E939-Q943 WeakPolarHBondContact O-CG 3.48Å; E939-Q943 PolarHBondContact O-N 3.24Å; E939-Q943 PolarHBondContact OE1-NE2 3.23Å |
| 940 | K | 88.7 | Confident | 78.9 | Confident | 137 Ų | 137 | 81.5 Ų | 81.5 | 60% | 0.596 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 174.8 | -74.6 | 174.8 | -178.9 | -177 | 0 | 112.6 | A936 E937 V938 I942 Q943 T944 | A936-K940 WeakPolarHBondContact O-CD 3.47Å; A936-K940 WeakPolarHBondContact O-CG 3.43Å; E937-K940 PolarHBondContact O-N 3.32Å; V938-K940 VanDerWaalsContact C-N 3.3Å; V938-K940 PolarHBondContact O-N 2.77Å; K940-I942 VanDerWaalsContact C-N 3.34Å; K940-Q943 PolarHBondContact O-N 2.91Å; K940-T944 WeakPolarHBondContact O-CG2 3.14Å; K940-T944 PolarHBondContact O-N 3.18Å; K940-T944 PolarHBondContact O-OG1 3.45Å |
| 941 | L | 88 | Confident | 75.8 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 175.7 | -69.3 | 168.7 | 0 | 0 | 0 | 112.1 | V869 F902 E937 V938 E939 T944 S945 | V869-L941 HydrophobicContact CG1-CD1 3.89Å; V869-L941 HydrophobicContact CG2-CD1 4.32Å; F902-L941 HydrophobicContact CD1-CB 4.41Å; F902-L941 HydrophobicContact CD2-CB 4.49Å; F902-L941 HydrophobicContact CD2-CD1 4.49Å; F902-L941 HydrophobicContact CE1-CB 3.8Å; F902-L941 WeakPolarHBondContact CE1-O 3.26Å; F902-L941 HydrophobicContact CE2-CB 3.9Å; F902-L941 HydrophobicContact CZ-CB 3.51Å; E937-L941 PolarHBondContact O-N 2.77Å; V938-L941 PolarHBondContact O-N 3.36Å; V938-L941 VanDerWaalsContact O-N 3.17Å; E939-L941 PolarHBondContact O-N 3.37Å; L941-T944 PolarHBondContact O-OG1 3.39Å; L941-S945 WeakPolarHBondContact O-CB 3.42Å; L941-S945 PolarHBondContact O-N 3.36Å; L941-S945 VanDerWaalsContact O-N 3.11Å; L941-S945 PolarHBondContact O-OG 3.06Å |
| 942 | I | 87.8 | Confident | 72.9 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 30% | 0.297 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 173.1 | -65.3 | 165.4 | 0 | 0 | 0 | 110.3 | V895 F902 V938 E939 K940 S945 S946 | V895-I942 HydrophobicContact CG1-CD1 3.97Å; V895-I942 HydrophobicContact CG1-CG1 4.11Å; V895-I942 HydrophobicContact CG2-CD1 4.42Å; F902-I942 HydrophobicContact CZ-CG1 4.24Å; V938-I942 HydrophobicContact CG1-CD1 3.92Å; V938-I942 HydrophobicContact CG1-CG1 4.45Å; V938-I942 WeakPolarHBondContact O-CG1 3.12Å; V938-I942 PolarHBondContact O-N 2.79Å; E939-I942 PolarHBondContact O-N 3.23Å; K940-I942 VanDerWaalsContact C-N 3.34Å; I942-S945 PolarHBondContact O-OG 3.3Å; I942-S946 WeakPolarHBondContact O-CB 3.43Å; I942-S946 PolarHBondContact O-N 3.31Å; I942-S946 PolarHBondContact O-OG 3.02Å |
| 943 | Q | 86.3 | Confident | 70.1 | Confident | 98 Ų | 98 | 95.8 Ų | 95.8 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 178.2 | -71.7 | 172.8 | 11.4 | 0 | 0 | 112.1 | E939 K940 S946 S947 | E939-Q943 WeakPolarHBondContact O-CB 3.49Å; E939-Q943 VanDerWaalsContact O-CG 3.28Å; E939-Q943 WeakPolarHBondContact O-CG 3.48Å; E939-Q943 PolarHBondContact O-N 3.24Å; E939-Q943 PolarHBondContact OE1-NE2 3.23Å; K940-Q943 PolarHBondContact O-N 2.91Å; Q943-S946 WeakPolarHBondContact O-CB 3.21Å; Q943-S946 PolarHBondContact O-N 2.58Å; Q943-S947 PolarHBondContact O-N 3.27Å; Q943-S947 PolarHBondContact O-OG 2.83Å |
| 944 | T | 81.7 | Confident | 67.3 | Low | 91 Ų | 91 | 104 Ų | 104 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 178.4 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | K940 L941 S946 S947 H948 | K940-T944 WeakPolarHBondContact O-CG2 3.14Å; K940-T944 PolarHBondContact O-N 3.18Å; K940-T944 PolarHBondContact O-OG1 3.45Å; L941-T944 PolarHBondContact O-OG1 3.39Å; T944-S946 VanDerWaalsContact C-N 3.26Å; T944-S946 PolarHBondContact O-N 3.1Å; T944-S947 PolarHBondContact O-N 3.31Å; T944-H948 PolarHBondContact O-N 2.85Å |
| 945 | S | 74.9 | Confident | 64.5 | Low | 22 Ų | 22 | 103.1 Ų | 103.1 | 15% | 0.154 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -67 | -25.7 | 173.5 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | L941 I942 | L941-S945 WeakPolarHBondContact O-CB 3.42Å; L941-S945 PolarHBondContact O-N 3.36Å; L941-S945 VanDerWaalsContact O-N 3.11Å; L941-S945 PolarHBondContact O-OG 3.06Å; I942-S945 PolarHBondContact O-OG 3.3Å |
| 946 | S | 64.8 | Low | 61.9 | Low | 67 Ų | 67 | 103.6 Ų | 103.6 | 47% | 0.469 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -73.7 | -42.3 | 172.7 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | I942 Q943 T944 H948 R949 | I942-S946 WeakPolarHBondContact O-CB 3.43Å; I942-S946 PolarHBondContact O-N 3.31Å; I942-S946 PolarHBondContact O-OG 3.02Å; Q943-S946 WeakPolarHBondContact O-CB 3.21Å; Q943-S946 PolarHBondContact O-N 2.58Å; T944-S946 VanDerWaalsContact C-N 3.26Å; T944-S946 PolarHBondContact O-N 3.1Å; S946-H948 PolarHBondContact O-N 2.77Å; S946-R949 PolarHBondContact O-N 2.75Å |
| 947 | S | 55.2 | Low | 59.1 | Low | 90 Ų | 90 | 104.1 Ų | 104.1 | 63% | 0.629 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.4 | -28 | 177 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | Q943 T944 R949 | Q943-S947 PolarHBondContact O-N 3.27Å; Q943-S947 PolarHBondContact O-OG 2.83Å; T944-S947 PolarHBondContact O-N 3.31Å; S947-R949 PolarHBondContact O-N 2.94Å |
| 948 | H | 48.9 | Very low | 56.5 | Low | 178 Ų | 178 | 106.2 Ų | 106.2 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 2.5 | 176.1 | -131.7 | 44.1 | 0 | 0 | 0 | 114.3 | T944 S946 | T944-H948 PolarHBondContact O-N 2.85Å; S946-H948 PolarHBondContact O-N 2.77Å |
| 949 | R | 42.5 | Very low | 53.9 | Low | 170 Ų | 170 | 113 Ų | 113 | 64% | 0.642 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 9.5 | 178.2 | -74.6 | -177.5 | 164.8 | -92.9 | -2 | 114.8 | P898 S946 S947 P951 | P898-R949 PolarHBondContact O-NH2 3.15Å; S946-R949 PolarHBondContact O-N 2.75Å; S947-R949 PolarHBondContact O-N 2.94Å; R949-P951 WeakPolarHBondContact O-CD 3.29Å |
| 950 | Q | 32 | Very low | 51.2 | Low | 154 Ų | 154 | 111 Ų | 111 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | trans | -81.8 | 117.8 | 171.7 | -74.4 | -67.5 | -17 | 0 | 0 | 110.9 | L952 | Q950-L952 PolarHBondContact O-N 3.35Å; Q950-L952 VanDerWaalsContact O-N 3.14Å | ||
| 951 | P | 29 | Very low | 48.4 | Very low | 97 Ų | 97 | 113.7 Ų | 113.7 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | trans | -73.7 | 104.5 | 173.5 | 30 | -32.1 | 0 | 0 | 0 | 109.4 | R949 F953 | R949-P951 WeakPolarHBondContact O-CD 3.29Å; P951-F953 PolarHBondContact O-N 2.84Å | ||
| 952 | L | 30.2 | Very low | 45.9 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -73.2 | 87.4 | -177.1 | -164.6 | 83.9 | 0 | 0 | 0 | 111.2 | Q950 Q954 | Q950-L952 PolarHBondContact O-N 3.35Å; Q950-L952 VanDerWaalsContact O-N 3.14Å; L952-Q954 HydrophobicContact CD2-CG 4.11Å; L952-Q954 PolarHBondContact O-N 3.06Å | ||
| 953 | F | 34 | Very low | 42.9 | Very low | 199 Ų | 199 | 118 Ų | 118 | 87% | 0.873 | 70% | 0.703 | S | S | * | * | trans | -59.3 | 107.2 | 164.7 | -85.7 | -89.7 | 0 | 0 | 0 | 109.4 | P951 | P951-F953 PolarHBondContact O-N 2.84Š| ||
| 954 | Q | 32.4 | Very low | 40.4 | Very low | 176 Ų | 176 | 120.8 Ų | 120.8 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -84.3 | 122.5 | 178.4 | -69.8 | -173 | 0.8 | 0 | 0 | 111.6 | L952 | L952-Q954 HydrophobicContact CD2-CG 4.11Å; L952-Q954 PolarHBondContact O-N 3.06Å | ||
| 955 | S | 32.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -131.3 | 119.8 | 142 | 57.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 956 | G | 33.3 | Very low | 35.9 | Very low | 83 Ų | 83 | 132.5 Ų | 132.5 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -64.7 | 154.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 957 | G | 30.3 | Very low | 34.4 | Very low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | cis | 129.9 | 177.5 | 18.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 958 | P | 33.6 | Very low | 33.8 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -123 | -159.6 | -11.8 | 28.7 | -5.2 | 0 | 0 | 0 | 111.7 | ||||
| 959 | V | 36.5 | Very low | 33.5 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 133.7 | 162.7 | -164.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 960 | G | 31.7 | Very low | 33.5 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 127.9 | 118.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 961 | H | 30.9 | Very low | 34.1 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -98.1 | 176.7 | 160.5 | -56.3 | -91.7 | 0 | 0 | 0 | 109.6 | ||||
| 962 | P | 34.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | -129.3 | 151.3 | -65.6 | 37.1 | -23.1 | 0 | 0 | 0 | 112.7 | |||||
| 963 | G | 26 | Very low | 35.4 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 96 | -172.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 964 | L | 33.1 | Very low | 35.7 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | 69.2 | 106.1 | -162.2 | -55.4 | -178.9 | 0 | 0 | 0 | 114.4 | ||||
| 965 | V | 30.1 | Very low | 36 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -62.7 | 134.6 | 167.3 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 966 | W | 31.6 | Very low | 36.2 | Very low | 222 Ų | 222 | 127.1 Ų | 127.1 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -140.8 | 144.7 | 164.1 | -78 | 106.4 | 0 | 0 | 0 | 112.1 | ||||
| 967 | D | 34.7 | Very low | 36.5 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 155.9 | -173.4 | -88.7 | -64 | 0 | 0 | 0 | 114.4 | P969 | D967-P969 WeakPolarHBondContact O-CD 3.04Š|
| 968 | V | 41.5 | Very low | 36.9 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 116.2 | 168.6 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 969 | P | 41.9 | Very low | 37.5 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 141.2 | 171.6 | 29.5 | -33.6 | 0 | 0 | 0 | 110.6 | D967 | D967-P969 WeakPolarHBondContact O-CD 3.04Š|
| 970 | P | 42.6 | Very low | 37.8 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 154.3 | -178.4 | 30.2 | -35.6 | 0 | 0 | 0 | 112.5 | ||
| 971 | P | 46 | Very low | 38.5 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 147.3 | 178.8 | 29.2 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 972 | P | 48.6 | Very low | 39.3 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.5 | 179.9 | 28.7 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 973 | S | 37.6 | Very low | 39.8 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 165.2 | 173.5 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 974 | S | 40.3 | Very low | 40.9 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 73.7 | 144.4 | -163.6 | 80.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 975 | W | 37.9 | Very low | 41.7 | Very low | 251 Ų | 251 | 132 Ų | 132 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | cis | -116.3 | 163.5 | 30.9 | -71.9 | 61 | 0 | 0 | 0 | 115.1 | ||||
| 976 | G | 38.2 | Very low | 42.8 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -86 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 977 | P | 38.8 | Very low | 44.2 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | trans | -100.5 | 161.9 | -158.7 | 37.8 | -37.1 | 0 | 0 | 0 | 117.2 | ||||
| 978 | A | 39.1 | Very low | 45 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 102.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 979 | T | 46.6 | Very low | 45.1 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -153.6 | 138.6 | 134.9 | 21.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 980 | P | 42.5 | Very low | 45.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -113.2 | 177.4 | -177.8 | 38 | -29.7 | 0 | 0 | 0 | 116.1 | ||||
| 981 | H | 46 | Very low | 45.6 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | 79.8 | 159.5 | 174.1 | -48.4 | -74.7 | 0 | 0 | 0 | 117.5 | ||||
| 982 | P | 48 | Very low | 45.3 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -124.2 | 175.7 | -17.6 | 21.4 | 2.2 | 0 | 0 | 0 | 113.8 | ||||
| 983 | P | 45.9 | Very low | 45.3 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -101 | 145 | -170 | 37.1 | -34.1 | 0 | 0 | 0 | 117 | ||||
| 984 | F | 48.5 | Very low | 45.3 | Very low | 210 Ų | 210 | 133 Ų | 133 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -149.6 | 162.1 | 160.2 | -65 | -81.3 | 0 | 0 | 0 | 107.6 | ||||
| 985 | G | 49 | Very low | 45.3 | Very low | 60 Ų | 60 | 136.7 Ų | 136.7 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | cis | 179.1 | 160.9 | -4.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 986 | P | 53.3 | Low | 45.1 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 148.1 | -174.6 | 31.2 | -34.9 | 0 | 0 | 0 | 113.5 | ||
| 987 | P | 60.9 | Low | 45.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 157.6 | 177.7 | 31.1 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 988 | P | 52.9 | Low | 44.9 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -87 | 157 | -168.3 | 34.7 | -37.2 | 0 | 0 | 0 | 115.1 | ||
| 989 | S | 43.8 | Very low | 44.9 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 151.9 | 168.7 | -50.8 | 0 | 0 | 0 | 0 | 112.1 | ||
| 990 | V | 54.4 | Low | 44.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -123.7 | 138.5 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 991 | Q | 40.3 | Very low | 44.3 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 161 | -177.2 | -66.5 | 177.8 | -74.8 | 0 | 0 | 112.5 | ||
| 992 | L | 38 | Very low | 44.1 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 161.2 | 176.6 | -71.8 | 77.3 | 0 | 0 | 0 | 112.5 | ||
| 993 | P | 48.7 | Very low | 44 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 132.7 | 153.3 | 13.5 | 6.3 | 0 | 0 | 0 | 112.2 | ||
| 994 | D | 37.7 | Very low | 43.5 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 149.3 | 175 | -66.7 | -67.6 | 0 | 0 | 0 | 113.7 | ||
| 995 | H | 40.9 | Very low | 43.4 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -147.7 | 98.2 | 157.8 | -75.2 | -58.5 | 0 | 0 | 0 | 113.7 | ||||
| 996 | M | 34.6 | Very low | 42.9 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 59.4 | 145.4 | 132.2 | -53 | -98.9 | -79 | 0 | 0 | 119.2 | ||||
| 997 | T | 37.1 | Very low | 42.1 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -157.4 | 144.1 | 18.2 | -22.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 998 | L | 34.9 | Very low | 41.1 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 7.6 | 133.7 | 153.2 | -60.1 | 169 | 0 | 0 | 0 | 122.6 | ||||
| 999 | L | 38.9 | Very low | 40.6 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | 161.9 | 92 | 123.4 | -95 | 138.5 | 0 | 0 | 0 | 109.1 | |||||
| 1000 | S | 35.2 | Very low | 40.3 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | 63.1 | 100.9 | 76 | -169.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 1001 | H | 41 | Very low | 39.7 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | 177.9 | 167 | 111.7 | -87.5 | -61.6 | 0 | 0 | 0 | 111.1 | |||||
| 1002 | A | 42.4 | Very low | 39.7 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -141 | -155.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1003 | P | 45.9 | Very low | 39.8 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | -128 | 173.4 | -85.8 | 39 | -24.7 | 0 | 0 | 0 | 113.9 | |||||
| 1004 | G | 35.9 | Very low | 39.4 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 135.4 | 175.3 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1005 | P | 46.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | -144.2 | -170.8 | -105.8 | 40.3 | -21.7 | 0 | 0 | 0 | 116.5 | |||||
| 1006 | S | 36.5 | Very low | 39.3 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | 105.3 | 161 | 147.9 | 80.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1007 | S | 37.6 | Very low | 39.6 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | 74.2 | 145.9 | 176.9 | -82.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1008 | I | 40.8 | Very low | 39.6 | Very low | 136 Ų | 136 | 119.1 Ų | 119.1 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | cis | -170.2 | 133.5 | -37.8 | -120.3 | 161.8 | 0 | 0 | 0 | 109.9 | ||||
| 1009 | Y | 41 | Very low | 39.8 | Very low | 231 Ų | 231 | 120 Ų | 120 | 91% | 0.906 | 70% | 0.698 | S | S | * | * | trans | 60.4 | 165.8 | 174.5 | -67.9 | -140.7 | 0 | 0 | 0 | 114.6 | ||||
| 1010 | G | 38.6 | Very low | 39.8 | Very low | 48 Ų | 48 | 119.3 Ų | 119.3 | 50% | 0.495 | 69% | 0.69 | S | S | . | * | cis | 167.5 | 135.7 | -12.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1011 | D | 40.2 | Very low | 39.9 | Very low | 105 Ų | 105 | 123.1 Ų | 123.1 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | trans | 85.7 | 127.6 | 154.9 | -57.9 | 25.8 | 0 | 0 | 0 | 120.1 | S213 A214 V215 | S213-D1011 WeakPolarHBondContact O-CA 3.28Å; S213-D1011 PolarHBondContact O-N 3.17Å; A214-D1011 VanDerWaalsContact C-CG 3.5Å; A214-D1011 WeakPolarHBondContact CA-OD1 3.22Å; A214-D1011 WeakPolarHBondContact CB-OD1 3.14Å; A214-D1011 VanDerWaalsContact N-CA 3.34Å; A214-D1011 PolarHBondContact N-OD1 3.33Å; V215-D1011 PolarHBondContact N-OD2 3.37Å | ||
| 1012 | G | 41.5 | Very low | 39.6 | Very low | 48 Ų | 48 | 121 Ų | 121 | 50% | 0.495 | 70% | 0.699 | S | S | . | * | cis | 171 | 156.6 | -12.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1013 | Y | 39.8 | Very low | 39.3 | Very low | 132 Ų | 132 | 131 Ų | 131 | 52% | 0.518 | 72% | 0.72 | S | S | . | * | trans | 76.7 | 140.6 | 165.8 | -85.2 | -82.4 | 0 | 0 | 0 | 122.8 | M212 A214 V215 | M212-Y1013 PolarHBondContact O-N 3.25Å; A214-Y1013 WeakPolarHBondContact O-CD2 3.11Å; A214-Y1013 WeakPolarHBondContact O-CE2 2.91Å; V215-Y1013 HydrophobicContact CG2-CE2 3.91Å | ||
| 1014 | Y | 40.3 | Very low | 38.9 | Very low | 222 Ų | 222 | 131 Ų | 131 | 87% | 0.871 | 71% | 0.713 | S | S | * | * | trans | 47.7 | 128.5 | 167.3 | -71.2 | -80.1 | 0 | 0 | 0 | 118.8 | ||||
| 1015 | G | 39.9 | Very low | 39.1 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | cis | 168.7 | 121.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1016 | G | 36.7 | Very low | 38.7 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | trans | 78.2 | 121.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1017 | L | 39.8 | Very low | 38.8 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 52% | 0.524 | 70% | 0.703 | S | S | . | * | cis | 52.4 | 127 | 18.6 | -87.8 | 99 | 0 | 0 | 0 | 114.5 | ||||
| 1018 | E | 38.9 | Very low | 38.9 | Very low | 119 Ų | 119 | 138 Ų | 138 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | cis | -168.2 | 177.6 | -9.3 | -148.6 | -179.1 | -135.3 | 0 | 0 | 109.6 | ||||
| 1019 | R | 38.5 | Very low | 38.7 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | trans | 87.8 | 113.6 | 166 | -67.7 | 140.2 | -154.4 | -131.1 | -0.9 | 115.4 | ||||
| 1020 | H | 37.6 | Very low | 38.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 69% | 0.685 | 69% | 0.686 | S | S | * | * | 72.7 | 129.8 | 66.3 | -80.9 | -118.3 | 0 | 0 | 0 | 111.3 | |||||
| 1021 | Q | 38.2 | Very low | 38.6 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | cis | -158.9 | 125.8 | -6.6 | -147.3 | 166.6 | -10.4 | 0 | 0 | 108.9 | ||||
| 1022 | T | 35.2 | Very low | 38.5 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -82.1 | 135.2 | 163.7 | 35.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1023 | Y | 35.1 | Very low | 38.2 | Very low | 303 Ų | 303 | 149.1 Ų | 149.1 | 100% | 1.188 | 73% | 0.732 | S | S | * | * | trans | -79.2 | 0 | 148.3 | -101.3 | -88.1 | 0 | 0 | 0 | 109.8 |
Retrieved 1,023 of 1,023 residues in 361.8 ms
(Link to these results)