| 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 | 21.8 | Very low | 24.3 | Very low | 200 Ų | 200 | 143 Ų | 143 | 99% | 0.985 | 81% | 0.808 | S | S | * | * | 0 | -9.3 | 0 | -77.8 | -168.1 | -166.5 | 0 | 0 | 113.5 | R1464 | M1-R1464 VanDerWaalsContact CE-NH2 3.35Š| |||
| 2 | S | 24.1 | Very low | 24.1 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -88.9 | 3.5 | -179.1 | 134.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | L | 22.8 | Very low | 24.1 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -106.9 | 16.1 | -171.8 | -107.4 | 159.3 | 0 | 0 | 0 | 115.6 | ||
| 4 | L | 25 | Very low | 24.3 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -133.6 | 9.3 | -178.1 | -93.4 | 168.2 | 0 | 0 | 0 | 117.2 | ||
| 5 | L | 23.9 | Very low | 24.2 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -136.6 | 53.4 | 179.8 | -83.1 | 168 | 0 | 0 | 0 | 114.5 | ||
| 6 | S | 23.4 | Very low | 24.2 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -150.7 | 80.4 | 166.3 | -43.6 | 0 | 0 | 0 | 0 | 112.2 | Y1975 | S6-Y1975 PolarHBondContact O-OH 3.19Š| ||
| 7 | V | 29.5 | Very low | 24.4 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -137.9 | 92.5 | 159.4 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 8 | S | 23.6 | Very low | 24.3 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | trans | 67.9 | 126.9 | 151.1 | -40.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 9 | F | 26.9 | Very low | 24.3 | Very low | 195 Ų | 195 | 146.6 Ų | 146.6 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | cis | -162.9 | 144.6 | 46.6 | -92.4 | -93.7 | 0 | 0 | 0 | 114.2 | ||||
| 10 | G | 23.3 | Very low | 24.5 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 77.6 | 105.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 11 | E | 22.9 | Very low | 24.5 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 55.8 | 116.5 | 138.6 | -64.5 | 177.4 | 174.6 | 0 | 0 | 123.1 | ||||
| 12 | C | 22.3 | Very low | 24.6 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 91% | 0.905 | 79% | 0.789 | S | S | * | * | 169.9 | 147.9 | 100.8 | -114.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 13 | S | 23.3 | Very low | 24.8 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 143.3 | -171.9 | 159.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 14 | T | 27.5 | Very low | 24.9 | Very low | 151 Ų | 151 | 147 Ų | 147 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -145.2 | 140.1 | 142 | 35.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | D | 23.1 | Very low | 26 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -120 | 163.4 | -154.4 | -137.1 | -18.9 | 0 | 0 | 0 | 109.9 | ||||
| 16 | H | 23.5 | Very low | 26.1 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 88 | 112.3 | 166 | -62.5 | 28.9 | 0 | 0 | 0 | 120 | ||||
| 17 | Y | 28.1 | Very low | 26.3 | Very low | 236 Ų | 236 | 144.4 Ų | 144.4 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | -171 | 124.2 | 105.4 | -109.9 | -85 | 0 | 0 | 0 | 110.2 | |||||
| 18 | E | 23.2 | Very low | 26 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -84.3 | 163.5 | -177.1 | -61 | 174.3 | 137 | 0 | 0 | 114.4 | ||||
| 19 | N | 24 | Very low | 26.1 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 112.5 | 140.4 | 134.9 | -72.3 | -37.4 | 0 | 0 | 0 | 121.8 | ||||
| 20 | V | 27.8 | Very low | 26 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | 92.3 | 92.2 | 160.1 | -161.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 21 | E | 24 | Very low | 26.3 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | 84.6 | 126.9 | 71.9 | -87.6 | -175.7 | 166.5 | 0 | 0 | 116 | |||||
| 22 | E | 23.6 | Very low | 26.4 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 65.6 | 113.1 | 148.1 | -63.3 | -172.3 | 158.7 | 0 | 0 | 121.6 | ||||
| 23 | L | 29 | Very low | 26.5 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | 178.2 | 133.9 | 101.8 | -93.9 | 157.8 | 0 | 0 | 0 | 112 | |||||
| 24 | E | 25.1 | Very low | 26.7 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -76 | 171.6 | -175.1 | -107.2 | -158.9 | 154.2 | 0 | 0 | 115 | ||||
| 25 | P | 46.9 | Very low | 26.8 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | trans | -94.1 | 160.6 | -159.9 | 38.2 | -35.6 | 0 | 0 | 0 | 114.1 | ||||
| 26 | C | 26 | Very low | 26.9 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | trans | -136.8 | 117.2 | 161 | -146.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | S | 27.6 | Very low | 27 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -72.1 | 145.5 | 163.7 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 28 | S | 24.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | 157.7 | 138.3 | 121.9 | -153.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 29 | N | 25.8 | Very low | 26.9 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -55.3 | 134.2 | 176.9 | -67.2 | -55 | 0 | 0 | 0 | 112.3 | ||||
| 30 | Q | 24.9 | Very low | 27 | Very low | 192 Ų | 192 | 148.7 Ų | 148.7 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 174.5 | 82.5 | 137.8 | -98.9 | 176 | 14 | 0 | 0 | 110.7 | ||||
| 31 | L | 29.6 | Very low | 26.9 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | -142.1 | 35.2 | 159.1 | -100.3 | 169.4 | 0 | 0 | 0 | 111.6 | ||||
| 32 | C | 23.4 | Very low | 27 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -102.2 | 92.4 | 156.4 | -85.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 33 | V | 24.9 | Very low | 27.1 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | 175 | 89.5 | 140.2 | 174.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 34 | L | 28.5 | Very low | 26.9 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -157.8 | 36.3 | 151 | -97.3 | -178.8 | 0 | 0 | 0 | 110.1 | ||||
| 35 | F | 28.4 | Very low | 27 | Very low | 213 Ų | 213 | 154.7 Ų | 154.7 | 93% | 0.934 | 82% | 0.816 | S | S | * | * | trans | -119.3 | 69.5 | 167.5 | -109 | -87.1 | 0 | 0 | 0 | 108.5 | ||||
| 36 | S | 25.7 | Very low | 26 | Very low | 101 Ų | 101 | 160 Ų | 160 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -172.8 | 131.6 | 162.6 | 22.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | A | 25.4 | Very low | 26.2 | Very low | 97 Ų | 97 | 163.3 Ų | 163.3 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | 83.8 | 122.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 38 | W | 23.7 | Very low | 26.1 | Very low | 213 Ų | 213 | 166.6 Ų | 166.6 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | cis | -168 | 144.8 | 27.4 | -153 | 44.3 | 0 | 0 | 0 | 111.9 | ||||
| 39 | K | 25.9 | Very low | 26.1 | Very low | 139 Ų | 139 | 164 Ų | 164 | 60% | 0.604 | 82% | 0.821 | S | S | * | * | trans | 67.8 | 101 | 155.1 | -98.1 | 164.9 | 175.9 | 166.2 | 0 | 118.9 | ||||
| 40 | I | 26.7 | Very low | 26.6 | Very low | 153 Ų | 153 | 162.8 Ų | 162.8 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | 72.9 | 114.6 | 71.5 | -64.1 | 169.4 | 0 | 0 | 0 | 113.7 | |||||
| 41 | N | 25.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 161.5 Ų | 161.5 | 68% | 0.679 | 82% | 0.819 | S | S | * | * | trans | 87.6 | 107.7 | 149.7 | -104.8 | 26.2 | 0 | 0 | 0 | 122.9 | ||||
| 42 | E | 25.5 | Very low | 26.6 | Very low | 160 Ų | 160 | 161.6 Ų | 161.6 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | 59.2 | 135.3 | 118.3 | -77.7 | -174.4 | 133.8 | 0 | 0 | 121.2 | |||||
| 43 | Q | 26 | Very low | 26.8 | Very low | 184 Ų | 184 | 163.4 Ų | 163.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 91.6 | 61.2 | 165.7 | -54.2 | -146.6 | -1.6 | 0 | 0 | 119 | ||||
| 44 | R | 25.6 | Very low | 27 | Very low | 254 Ų | 254 | 163.1 Ų | 163.1 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -119.8 | 15.8 | 151.1 | -88.1 | -167.1 | 178.1 | -154.9 | 1 | 115 | ||||
| 45 | Q | 25.9 | Very low | 26.9 | Very low | 189 Ų | 189 | 163 Ų | 163 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -106.5 | 30.6 | 178.2 | -87.1 | -93.3 | -21.4 | 0 | 0 | 113.6 | ||
| 46 | R | 27.3 | Very low | 26.9 | Very low | 225 Ų | 225 | 160.6 Ų | 160.6 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -147.4 | 140.7 | 158 | -75.5 | -168.4 | 173 | 159.3 | -2.6 | 109.2 | ||
| 47 | F | 28.5 | Very low | 26.9 | Very low | 201 Ų | 201 | 163 Ų | 163 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | 86.3 | 62 | -172 | -60.4 | -78.4 | 0 | 0 | 0 | 116.9 | ||||
| 48 | L | 26.5 | Very low | 27.2 | Very low | 178 Ų | 178 | 167.7 Ų | 167.7 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | -149.9 | 72.5 | 129.1 | -103.5 | 165.2 | 0 | 0 | 0 | 108.6 | |||||
| 49 | G | 25.1 | Very low | 28.3 | Very low | 61 Ų | 61 | 162.6 Ų | 162.6 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | trans | -120.2 | 160.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 50 | P | 36.3 | Very low | 28.3 | Very low | 126 Ų | 126 | 164.6 Ų | 164.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -124.2 | 139.8 | -40.4 | 32.6 | -17.8 | 0 | 0 | 0 | 109.9 | ||||
| 51 | L | 28.2 | Very low | 28.4 | Very low | 165 Ų | 165 | 166.1 Ų | 166.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -140 | 47 | 175.8 | -107.9 | 158.9 | 0 | 0 | 0 | 110.8 | ||||
| 52 | L | 26.6 | Very low | 28.3 | Very low | 183 Ų | 183 | 166.2 Ų | 166.2 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -109.2 | 66 | 160.2 | -79.9 | 166.5 | 0 | 0 | 0 | 107.3 | ||||
| 53 | E | 26.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 163.3 Ų | 163.3 | 78% | 0.78 | 82% | 0.815 | S | S | * | * | trans | -124.1 | 139.1 | 165.6 | -103.8 | -178.7 | 171.5 | 0 | 0 | 109.2 | ||||
| 54 | D | 27.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 161.1 Ų | 161.1 | 64% | 0.636 | 81% | 0.813 | S | S | * | * | trans | 81 | 99 | 156.3 | -80 | -21.4 | 0 | 0 | 0 | 121 | ||||
| 55 | K | 27.1 | Very low | 28.4 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 73% | 0.726 | 80% | 0.802 | S | S | * | * | 65.5 | 132.1 | 110.1 | -76.8 | 179.7 | -168.6 | 157.5 | 0 | 119.7 | |||||
| 56 | E | 28.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | 101 | 118.7 | 139.6 | -79.4 | 176.6 | -171.4 | 0 | 0 | 120.9 | ||||
| 57 | L | 26.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 76.5 | 112.6 | 150.7 | -81.3 | 93.7 | 0 | 0 | 0 | 122.9 | ||||
| 58 | K | 31.6 | Very low | 28 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 1.4 | 154.4 | 133.3 | -67.8 | 179.3 | 174.9 | 177.5 | 0 | 117 | ||||
| 59 | P | 46.9 | Very low | 28 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -159.5 | -175.5 | 41.4 | 44.1 | -21.5 | 0 | 0 | 0 | 118.5 | ||||
| 60 | K | 25.9 | Very low | 27.9 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | 73.1 | 94.4 | 151 | -74.7 | 170.3 | -177.3 | -177.9 | 0 | 119.6 | ||||
| 61 | L | 28.4 | Very low | 27.4 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 97% | 0.969 | 79% | 0.791 | S | S | * | * | -121.9 | 111.2 | 129.5 | -104.5 | 112.2 | 0 | 0 | 0 | 108.3 | |||||
| 62 | V | 24.6 | Very low | 27.4 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | -113.6 | 125.3 | 172.9 | 166.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 63 | S | 25.4 | Very low | 28.1 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | -175.1 | 119 | 142.2 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 64 | V | 28.6 | Very low | 28 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | 67.6 | 108.9 | 137.7 | -170.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 65 | G | 23.9 | Very low | 28 | Very low | 71 Ų | 71 | 145.3 Ų | 145.3 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 89.2 | 87.3 | 20.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 66 | S | 25.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 175.4 | 118 | 147.9 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 67 | Y | 24.5 | Very low | 27.8 | Very low | 231 Ų | 231 | 148.2 Ų | 148.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 42.5 | 142.5 | 131 | -64.5 | -87.5 | 0 | 0 | 0 | 119.6 | ||||
| 68 | S | 23.3 | Very low | 27.8 | Very low | 87 Ų | 87 | 144.3 Ų | 144.3 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | cis | 173.8 | 130.5 | 0.7 | 44.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 69 | F | 26.6 | Very low | 27.6 | Very low | 222 Ų | 222 | 141.7 Ų | 141.7 | 97% | 0.974 | 79% | 0.786 | S | S | * | * | trans | -139 | 105.9 | 148.8 | -93 | -79 | 0 | 0 | 0 | 107.2 | ||||
| 70 | G | 23.2 | Very low | 26.5 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | -95.1 | -174.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 71 | V | 27.3 | Very low | 26.6 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 89.9 | 79.5 | -179.7 | -165.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 72 | N | 27.1 | Very low | 26.5 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 85.3 | 131.9 | 78.8 | -153.6 | 52 | 0 | 0 | 0 | 112.4 | |||||
| 73 | P | 41.2 | Very low | 26.7 | Very low | 95 Ų | 95 | 145.6 Ų | 145.6 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | trans | -90.7 | 152.7 | -168.6 | 37.6 | -28.9 | 0 | 0 | 0 | 111.3 | ||||
| 74 | D | 25.9 | Very low | 26.7 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -174.5 | 112 | 149.2 | -91 | -32.7 | 0 | 0 | 0 | 106.6 | ||||
| 75 | Y | 27.7 | Very low | 26.6 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | -177.3 | 110.2 | 128.1 | -101.3 | -75.5 | 0 | 0 | 0 | 109.6 | |||||
| 76 | H | 23.3 | Very low | 26.8 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | -74.4 | 172 | -179.7 | -93.1 | -83.8 | 0 | 0 | 0 | 113.5 | ||||
| 77 | Y | 26.7 | Very low | 26.9 | Very low | 232 Ų | 232 | 148 Ų | 148 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | 94.9 | 109.8 | 168 | -67.1 | -86.5 | 0 | 0 | 0 | 114.5 | ||||
| 78 | G | 25.9 | Very low | 27 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | 126.4 | 81.5 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 79 | V | 27.7 | Very low | 27.3 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -149.3 | 79.6 | 158.6 | -171.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 80 | E | 25 | Very low | 27.4 | Very low | 163 Ų | 163 | 144.1 Ų | 144.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -87 | 121.8 | 168.9 | -85.3 | -170.3 | 153.9 | 0 | 0 | 110.4 | H82 | E80-H82 PolarHBondContact O-N 3.28Å; E80-H82 VanDerWaalsContact O-N 3.09Å; E80-H82 IonicContact OE2-NE2 3.78Å | ||
| 81 | H | 26.6 | Very low | 27.6 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 97.2 | 159.7 | -84.4 | -91 | 0 | 0 | 0 | 109.9 | ||||
| 82 | H | 26.8 | Very low | 27.6 | Very low | 136 Ų | 136 | 148 Ų | 148 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | trans | -83.7 | 113.3 | 165.7 | -87.9 | -74.2 | 0 | 0 | 0 | 110.3 | E80 | E80-H82 PolarHBondContact O-N 3.28Å; E80-H82 VanDerWaalsContact O-N 3.09Å; E80-H82 IonicContact OE2-NE2 3.78Å | ||
| 83 | F | 28.2 | Very low | 27.5 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | -168.3 | 81.1 | 124.9 | -104.9 | -74.6 | 0 | 0 | 0 | 109.8 | |||||
| 84 | T | 25.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 156.4 Ų | 156.4 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -140.8 | 90.6 | 151.6 | -40.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 85 | V | 27.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 154.9 Ų | 154.9 | 70% | 0.703 | 82% | 0.818 | S | S | * | * | trans | -139.9 | 125.3 | 167.8 | 177.2 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 86 | S | 29 | Very low | 26.8 | Very low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | cis | -162.2 | 117.4 | 40.7 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 87 | A | 26.3 | Very low | 26.9 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -144.6 | 36.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 88 | T | 27.6 | Very low | 26.9 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | trans | -159.8 | 66.9 | 166.8 | -29.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 89 | V | 29.3 | Very low | 26.9 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -115 | 2.1 | 158.3 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 90 | F | 29.3 | Very low | 26.8 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -94.2 | -1.2 | -173.3 | -145.7 | -100.5 | 0 | 0 | 0 | 116.6 | ||
| 91 | L | 27.1 | Very low | 26.9 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -143 | 78.7 | -177.2 | -72.9 | 172.8 | 0 | 0 | 0 | 113.1 | ||
| 92 | V | 27.2 | Very low | 26.8 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 160.9 | 63.1 | 136 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 93 | R | 24.5 | Very low | 26.7 | Very low | 237 Ų | 237 | 144.2 Ų | 144.2 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -149.8 | 51.2 | 159.2 | -139.6 | 169.8 | -170.4 | 153.1 | 1 | 114.4 | ||||
| 94 | L | 26.4 | Very low | 26.6 | Very low | 181 Ų | 181 | 143 Ų | 143 | 95% | 0.948 | 83% | 0.826 | S | S | * | * | trans | -140.9 | 68.8 | 159.4 | -82 | 175.2 | 0 | 0 | 0 | 110.1 | ||||
| 95 | A | 26.3 | Very low | 26.7 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -157.9 | 66.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 96 | S | 27.2 | Very low | 26.8 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -153.3 | 102.9 | 155.9 | 46.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 97 | G | 25.8 | Very low | 26.9 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 92% | 0.918 | 83% | 0.834 | S | S | * | * | trans | -62.5 | 139.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 98 | G | 26.1 | Very low | 27.1 | Very low | 76 Ų | 76 | 146.6 Ų | 146.6 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | trans | -127.2 | 106.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 99 | E | 25.7 | Very low | 27.5 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -58.1 | 133.5 | 169.1 | -66.7 | 174.9 | 142 | 0 | 0 | 109.8 | ||||
| 100 | L | 25 | Very low | 27.7 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 93% | 0.927 | 84% | 0.842 | S | S | * | * | trans | -153.6 | 114.7 | 153.6 | -122 | 122.4 | 0 | 0 | 0 | 110.9 | ||||
| 101 | G | 27.4 | Very low | 28.3 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | trans | 85.3 | 82 | 136.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | R103 | G101-R103 PolarHBondContact O-N 2.95Å; G101-R103 VanDerWaalsContact O-N 3.14Å | ||
| 102 | D | 24.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 75% | 0.749 | 84% | 0.837 | S | S | * | * | trans | -47.9 | 108.3 | 157.7 | -143.4 | 0.5 | 0 | 0 | 0 | 110.6 | ||||
| 103 | R | 24.8 | Very low | 31.5 | Very low | 247 Ų | 247 | 141.6 Ų | 141.6 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -122.9 | 86.2 | 157.6 | -92.2 | -172 | 177.6 | 178.2 | 0.4 | 108.4 | G101 V105 | G101-R103 PolarHBondContact O-N 2.95Å; G101-R103 VanDerWaalsContact O-N 3.14Å; R103-V105 PolarHBondContact O-N 3.37Å | ||
| 104 | K | 26.3 | Very low | 34.2 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -61.8 | 121.2 | 164.9 | -86.3 | 176.2 | 176.4 | 168 | 0 | 110.7 | ||||
| 105 | V | 27.7 | Very low | 37.1 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | trans | 54.9 | 114.4 | 131.5 | -171.1 | 0 | 0 | 0 | 0 | 118 | R103 M107 | R103-V105 PolarHBondContact O-N 3.37Å; V105-M107 HydrophobicContact CG1-CB 4.33Å; V105-M107 HydrophobicContact CG1-CG 3.74Å | ||
| 106 | T | 29 | Very low | 39.7 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -126.1 | 102.5 | 131.1 | 42.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 107 | M | 30.2 | Very low | 42.4 | Very low | 181 Ų | 181 | 129.3 Ų | 129.3 | 89% | 0.892 | 75% | 0.751 | S | S | * | * | trans | -73.3 | 121.6 | 167.5 | -72.6 | -107.2 | -81.5 | 0 | 0 | 108.1 | V105 | V105-M107 HydrophobicContact CG1-CB 4.33Å; V105-M107 HydrophobicContact CG1-CG 3.74Å | ||
| 108 | A | 31.4 | Very low | 45.3 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | -133.7 | 112.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 109 | G | 35.1 | Very low | 48.3 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 71.6 | 100.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | G111 | G109-G111 PolarHBondContact O-N 3.05Å; G109-G111 VanDerWaalsContact O-N 3.1Å | ||
| 110 | E | 35.3 | Very low | 51.3 | Low | 208 Ų | 208 | 118.8 Ų | 118.8 | 97% | 0.972 | 67% | 0.665 | S | S | * | * | trans | -56.8 | 105.3 | 163 | -64.6 | 176.9 | 147.3 | 0 | 0 | 110.9 | ||||
| 111 | G | 40.2 | Very low | 54.4 | Low | 58 Ų | 58 | 113.1 Ų | 113.1 | 60% | 0.598 | 63% | 0.634 | S | S | * | * | trans | -104.4 | 127.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | G109 V113 | G109-G111 PolarHBondContact O-N 3.05Å; G109-G111 VanDerWaalsContact O-N 3.1Å; G111-V113 PolarHBondContact O-N 3.18Å | ||
| 112 | E | 52.9 | Low | 57.4 | Low | 202 Ų | 202 | 114.8 Ų | 114.8 | 94% | 0.944 | 62% | 0.623 | S | S | * | * | trans | -51.4 | 109.3 | 171.4 | -89 | -172.6 | 138.9 | 0 | 0 | 109.9 | D114 | E112-D114 PolarHBondContact O-N 2.72Š| ||
| 113 | V | 69.3 | Low | 60.7 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | trans | -74.8 | 108.1 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 108 | G111 F115 | G111-V113 PolarHBondContact O-N 3.18Å; V113-F115 HydrophobicContact CB-CE1 4.05Å; V113-F115 HydrophobicContact CB-CZ 3.98Å; V113-F115 HydrophobicContact CG1-CD1 3.99Å; V113-F115 HydrophobicContact CG1-CE1 3.59Å; V113-F115 HydrophobicContact CG1-CZ 4.06Å; V113-F115 WeakPolarHBondContact O-CD2 3.26Å; V113-F115 PolarHBondContact O-N 2.89Å; V113-F115 VanDerWaalsContact O-N 3.12Å | ||
| 114 | D | 80.7 | Confident | 63.9 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 49% | 0.492 | 55% | 0.545 | S | S | . | . | trans | -71.2 | 98.7 | 173.2 | 177.4 | 17.6 | 0 | 0 | 0 | 110.6 | E112 S116 | E112-D114 PolarHBondContact O-N 2.72Å; D114-S116 PolarHBondContact O-N 3.44Å; D114-S116 WeakPolarHBondContact OD1-CB 3.45Å; D114-S116 PolarHBondContact OD1-N 2.76Å; D114-S116 PolarHBondContact OD1-OG 3.39Å; D114-S116 PolarHBondContact OD2-OG 2.75Å; D114-S116 VanDerWaalsContact OD2-OG 3.06Å | ||
| 115 | F | 87.4 | Confident | 66.9 | Low | 29 Ų | 29 | 94.4 Ų | 94.4 | 13% | 0.127 | 54% | 0.539 | C | S | . | . | G | 310 helix | trans | -73.9 | -8.8 | 177.9 | -58.4 | -64.1 | 0 | 0 | 0 | 113.7 | V113 K117 L118 L123 H126 N128 K130 A131 L134 | V113-F115 HydrophobicContact CB-CE1 4.05Å; V113-F115 HydrophobicContact CB-CZ 3.98Å; V113-F115 HydrophobicContact CG1-CD1 3.99Å; V113-F115 HydrophobicContact CG1-CE1 3.59Å; V113-F115 HydrophobicContact CG1-CZ 4.06Å; V113-F115 WeakPolarHBondContact O-CD2 3.26Å; V113-F115 PolarHBondContact O-N 2.89Å; V113-F115 VanDerWaalsContact O-N 3.12Å; F115-K117 PolarHBondContact O-N 3.33Å; F115-L118 HydrophobicContact CD1-CD1 4.02Å; F115-L118 PolarHBondContact O-N 3.47Å; F115-L118 VanDerWaalsContact O-N 3.1Å; F115-L123 HydrophobicContact CB-CD2 4.04Å; F115-H126 AromaticContact CE1-CE1 3.89Å; F115-N128 HydrophobicContact CE1-CB 4.49Å; F115-N128 HydrophobicContact CZ-CB 4.11Å; F115-N128 WeakPolarHBondContact CZ-ND2 3.43Å; F115-K130 HydrophobicContact CD2-CB 4.46Å; F115-K130 HydrophobicContact CE2-CB 4.09Å; F115-A131 HydrophobicContact CB-CB 4.17Å; F115-A131 HydrophobicContact CD1-CB 3.74Å; F115-A131 HydrophobicContact CD2-CB 4.08Å; F115-A131 HydrophobicContact CE1-CB 4.15Å; F115-A131 HydrophobicContact CE2-CB 4.46Å; F115-A131 HydrophobicContact CG-CB 3.72Å; F115-L134 HydrophobicContact CB-CD2 3.96Å |
| 116 | S | 81.9 | Confident | 70 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 53% | 0.531 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -62.5 | -16.1 | -174.8 | 70.2 | 0 | 0 | 0 | 0 | 114 | D114 | D114-S116 PolarHBondContact O-N 3.44Å; D114-S116 WeakPolarHBondContact OD1-CB 3.45Å; D114-S116 PolarHBondContact OD1-N 2.76Å; D114-S116 PolarHBondContact OD1-OG 3.39Å; D114-S116 PolarHBondContact OD2-OG 2.75Å; D114-S116 VanDerWaalsContact OD2-OG 3.06Å |
| 117 | K | 83.9 | Confident | 72.9 | Confident | 178 Ų | 178 | 95 Ų | 95 | 77% | 0.774 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -86.5 | -10.3 | 179.3 | -60.7 | -177.3 | -175.7 | 177.1 | 0 | 114.5 | F115 | F115-K117 PolarHBondContact O-N 3.33Š|
| 118 | L | 86.8 | Confident | 75.7 | Confident | 55 Ų | 55 | 89.1 Ų | 89.1 | 29% | 0.288 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -80.3 | 143.4 | -179 | -69.2 | 169.7 | 0 | 0 | 0 | 111.5 | F115 L123 | F115-L118 HydrophobicContact CD1-CD1 4.02Å; F115-L118 PolarHBondContact O-N 3.47Å; F115-L118 VanDerWaalsContact O-N 3.1Å; L118-L123 HydrophobicContact CB-CD2 3.77Å; L118-L123 HydrophobicContact CB-CG 3.89Å; L118-L123 HydrophobicContact CD1-CD2 4.02Å |
| 119 | P | 88 | Confident | 78.6 | Confident | 64 Ų | 64 | 89 Ų | 89 | 42% | 0.416 | 47% | 0.472 | S | S | . | . | trans | -56.7 | 149 | 169.9 | -23 | 32.9 | 0 | 0 | 0 | 112.5 | E121 E122 L123 | P119-E121 VanDerWaalsContact C-N 3.3Å; P119-E121 PolarHBondContact O-N 2.82Å; P119-E122 HydrophobicContact CB-CG 4.39Å; P119-E122 HydrophobicContact CG-CG 4.43Å; P119-E122 PolarHBondContact O-N 3.42Å; P119-E122 VanDerWaalsContact O-N 3.09Å; P119-L123 PolarHBondContact O-N 2.99Å | ||
| 120 | L | 90 | Very high | 81.3 | Confident | 15 Ų | 15 | 91.2 Ų | 91.2 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -59.7 | -40.7 | -175.4 | -178.6 | 57.6 | 0 | 0 | 0 | 112.6 | E122 L123 L124 G135 N138 L139 K142 Y157 | L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 2.8Å; L120-L123 WeakPolarHBondContact O-CB 3.12Å; L120-L123 PolarHBondContact O-N 3.19Å; L120-L124 HydrophobicContact CD1-CD1 4.42Å; L120-L124 HydrophobicContact CD1-CG 4.29Å; L120-L124 HydrophobicContact CG-CD1 4.16Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.83Å; L120-G135 VanDerWaalsContact CD1-O 3.3Å; L120-G135 WeakPolarHBondContact CD1-O 3.26Å; L120-N138 HydrophobicContact CD1-CB 3.63Å; L120-L139 HydrophobicContact CD2-CD1 4.26Å; L120-K142 HydrophobicContact CD2-CD 3.64Å; L120-Y157 HydrophobicContact CD2-CE1 3.95Å; L120-Y157 HydrophobicContact CD2-CE2 4.29Å; L120-Y157 HydrophobicContact CG-CE1 4.26Å |
| 121 | E | 90.4 | Very high | 84 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 28% | 0.276 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 178.8 | -64.2 | 75.9 | -170.1 | 0 | 0 | 111.6 | P119 I125 K156 Y157 F160 | P119-E121 VanDerWaalsContact C-N 3.3Å; P119-E121 PolarHBondContact O-N 2.82Å; E121-I125 WeakPolarHBondContact O-CG1 3.37Å; E121-K156 WeakPolarHBondContact OE1-CE 3.16Å; E121-K156 IonicContact OE1-NZ 2.74Å; E121-K156 PolarHBondContact OE1-NZ 2.86Å; E121-Y157 HydrophobicContact CG-CE1 4.12Å; E121-Y157 WeakPolarHBondContact OE1-CE1 3.13Å; E121-Y157 PolarHBondContact OE1-OH 3.45Å; E121-F160 HydrophobicContact CB-CZ 4.44Å; E121-F160 HydrophobicContact CG-CZ 4.43Å |
| 122 | E | 89.9 | Confident | 86.6 | Confident | 103 Ų | 103 | 79.9 Ų | 79.9 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.5 | -40.1 | 175.5 | -67.5 | -175.3 | -173.2 | 0 | 0 | 111.7 | P119 L120 L124 I125 H126 | P119-E122 HydrophobicContact CB-CG 4.39Å; P119-E122 HydrophobicContact CG-CG 4.43Å; P119-E122 PolarHBondContact O-N 3.42Å; P119-E122 VanDerWaalsContact O-N 3.09Å; L120-E122 VanDerWaalsContact C-N 3.28Å; L120-E122 PolarHBondContact O-N 2.8Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.39Å; E122-I125 PolarHBondContact O-N 2.87Å; E122-H126 WeakPolarHBondContact O-CB 3.28Å; E122-H126 PolarHBondContact O-N 2.73Å |
| 123 | L | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 175.5 | -73.7 | 174.7 | 0 | 0 | 0 | 111.3 | F115 L118 P119 L120 I125 H126 A131 R132 L134 | F115-L123 HydrophobicContact CB-CD2 4.04Å; L118-L123 HydrophobicContact CB-CD2 3.77Å; L118-L123 HydrophobicContact CB-CG 3.89Å; L118-L123 HydrophobicContact CD1-CD2 4.02Å; P119-L123 PolarHBondContact O-N 2.99Å; L120-L123 WeakPolarHBondContact O-CB 3.12Å; L120-L123 PolarHBondContact O-N 3.19Å; L123-I125 VanDerWaalsContact C-N 3.25Å; L123-I125 PolarHBondContact O-N 3.25Å; L123-H126 WeakPolarHBondContact O-CB 3.24Å; L123-H126 PolarHBondContact O-N 2.75Å; L123-A131 HydrophobicContact CD2-CB 3.95Å; L123-R132 WeakPolarHBondContact O-CA 3.5Å; L123-R132 WeakPolarHBondContact O-CG 3.46Å; L123-R132 PolarHBondContact O-N 3.5Å; L123-L134 HydrophobicContact CD1-CD2 4.4Å; L123-L134 HydrophobicContact CD1-CG 4.44Å; L123-L134 HydrophobicContact CD2-CD2 4.4Å |
| 124 | L | 91.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.5 | -23.5 | -175 | -70.1 | 168.2 | 0 | 0 | 0 | 114.3 | L120 E122 Y136 L139 Y157 F160 | L120-L124 HydrophobicContact CD1-CD1 4.42Å; L120-L124 HydrophobicContact CD1-CG 4.29Å; L120-L124 HydrophobicContact CG-CD1 4.16Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.83Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.39Å; L124-Y136 HydrophobicContact CD2-CD1 3.51Å; L124-Y136 HydrophobicContact CD2-CE1 3.65Å; L124-L139 HydrophobicContact CD1-CD2 4.07Å; L124-L139 HydrophobicContact CD2-CB 4.44Å; L124-L139 HydrophobicContact CD2-CD2 4Å; L124-Y157 HydrophobicContact CD1-CD1 4.18Å; L124-Y157 HydrophobicContact CD1-CE1 4.5Å; L124-F160 HydrophobicContact CB-CD1 4.01Å; L124-F160 HydrophobicContact CB-CE1 4.46Å; L124-F160 HydrophobicContact CD1-CB 4.15Å; L124-F160 HydrophobicContact CD1-CD1 4.12Å; L124-F160 HydrophobicContact CD1-CD2 4.26Å; L124-F160 HydrophobicContact CD1-CG 3.92Å |
| 125 | I | 91 | Very high | 90.3 | Very high | 122 Ų | 122 | 64 Ų | 64 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -116.7 | 7.7 | -179.5 | 64.8 | 179.2 | 0 | 0 | 0 | 113.2 | E121 E122 L123 F160 | E121-I125 WeakPolarHBondContact O-CG1 3.37Å; E122-I125 PolarHBondContact O-N 2.87Å; L123-I125 VanDerWaalsContact C-N 3.25Å; L123-I125 PolarHBondContact O-N 3.25Å; I125-F160 HydrophobicContact CG2-CD1 4.1Å; I125-F160 HydrophobicContact CG2-CE1 3.92Å |
| 126 | H | 92.4 | Very high | 90.6 | Very high | 60 Ų | 60 | 63 Ų | 63 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | trans | -63.6 | 147.1 | -175.3 | -167.4 | -97.1 | 0 | 0 | 0 | 112.2 | F115 E122 L123 N128 A131 R132 | F115-H126 AromaticContact CE1-CE1 3.89Å; E122-H126 WeakPolarHBondContact O-CB 3.28Å; E122-H126 PolarHBondContact O-N 2.73Å; L123-H126 WeakPolarHBondContact O-CB 3.24Å; L123-H126 PolarHBondContact O-N 2.75Å; H126-N128 VanDerWaalsContact C-N 3.33Å; H126-N128 WeakPolarHBondContact ND1-CB 3.37Å; H126-N128 PolarHBondContact ND1-N 3.44Å; H126-N128 PolarHBondContact O-N 3.45Å; H126-A131 HydrophobicContact CB-CB 3.78Å; H126-A131 WeakPolarHBondContact ND1-CB 3.23Å; H126-R132 HydrophobicContact CB-CG 4.39Å; H126-R132 VanDerWaalsContact O-CD 3.27Å; H126-R132 WeakPolarHBondContact O-CD 3.49Å; H126-R132 WeakPolarHBondContact O-CG 3.27Å; H126-R132 PolarHBondContact O-NH1 3.35Å | ||
| 127 | K | 89.2 | Confident | 91.1 | Very high | 204 Ų | 204 | 61.4 Ų | 61.4 | 89% | 0.887 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -62.8 | -37.1 | 179.6 | -70.4 | -175.5 | 178.7 | 179.4 | 0 | 112.8 | R132 | K127-R132 PolarHBondContact O-NH1 3.26Š|
| 128 | N | 90 | Very high | 91.5 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -78.3 | 123.4 | 176.5 | -167.4 | -32.1 | 0 | 0 | 0 | 111.3 | F115 H126 K130 A131 R132 | F115-N128 HydrophobicContact CE1-CB 4.49Å; F115-N128 HydrophobicContact CZ-CB 4.11Å; F115-N128 WeakPolarHBondContact CZ-ND2 3.43Å; H126-N128 VanDerWaalsContact C-N 3.33Å; H126-N128 WeakPolarHBondContact ND1-CB 3.37Å; H126-N128 PolarHBondContact ND1-N 3.44Å; H126-N128 PolarHBondContact O-N 3.45Å; N128-K130 VanDerWaalsContact C-N 3.27Å; N128-K130 PolarHBondContact O-N 3.32Å; N128-K130 WeakPolarHBondContact OD1-CB 3.29Å; N128-K130 PolarHBondContact OD1-N 3.17Å; N128-A131 WeakPolarHBondContact O-CB 3.3Å; N128-A131 PolarHBondContact O-N 3.03Å; N128-A131 VanDerWaalsContact O-N 3.14Å; N128-R132 PolarHBondContact O-N 3.16Å |
| 129 | W | 91.9 | Very high | 91.8 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 179.8 | 72.1 | -91.7 | 0 | 0 | 0 | 113.7 | A131 R132 S133 N169 A172 | W129-A131 VanDerWaalsContact C-N 3.3Å; W129-A131 PolarHBondContact O-N 3.12Å; W129-R132 PolarHBondContact O-N 3.36Å; W129-S133 VanDerWaalsContact O-CB 3.3Å; W129-S133 WeakPolarHBondContact O-CB 2.99Å; W129-S133 PolarHBondContact O-N 2.89Å; W129-N169 HydrophobicContact CB-CB 3.67Å; W129-N169 HydrophobicContact CG-CB 4.15Å; W129-A172 HydrophobicContact CB-CB 4.48Å |
| 130 | K | 91.7 | Very high | 92 | Very high | 126 Ų | 126 | 52.1 Ų | 52.1 | 55% | 0.548 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -38 | 175.5 | -68.5 | -174.7 | 178.8 | -178.8 | 0 | 111.2 | F115 N128 L134 | F115-K130 HydrophobicContact CD2-CB 4.46Å; F115-K130 HydrophobicContact CE2-CB 4.09Å; N128-K130 VanDerWaalsContact C-N 3.27Å; N128-K130 PolarHBondContact O-N 3.32Å; N128-K130 WeakPolarHBondContact OD1-CB 3.29Å; N128-K130 PolarHBondContact OD1-N 3.17Å; K130-L134 PolarHBondContact O-N 2.98Å |
| 131 | A | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F115 L123 H126 N128 W129 L134 G135 | F115-A131 HydrophobicContact CB-CB 4.17Å; F115-A131 HydrophobicContact CD1-CB 3.74Å; F115-A131 HydrophobicContact CD2-CB 4.08Å; F115-A131 HydrophobicContact CE1-CB 4.15Å; F115-A131 HydrophobicContact CE2-CB 4.46Å; F115-A131 HydrophobicContact CG-CB 3.72Å; L123-A131 HydrophobicContact CD2-CB 3.95Å; H126-A131 HydrophobicContact CB-CB 3.78Å; H126-A131 WeakPolarHBondContact ND1-CB 3.23Å; N128-A131 WeakPolarHBondContact O-CB 3.3Å; N128-A131 PolarHBondContact O-N 3.03Å; N128-A131 VanDerWaalsContact O-N 3.14Å; W129-A131 VanDerWaalsContact C-N 3.3Å; W129-A131 PolarHBondContact O-N 3.12Å; A131-L134 WeakPolarHBondContact O-CB 3.46Å; A131-L134 PolarHBondContact O-N 3.45Å; A131-G135 PolarHBondContact O-N 3.07Å |
| 132 | R | 94.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 173.8 | -63 | -163.9 | -57.4 | -88 | 4.9 | 112.5 | L123 H126 K127 N128 W129 L134 G135 Y136 D167 S168 | L123-R132 WeakPolarHBondContact O-CA 3.5Å; L123-R132 WeakPolarHBondContact O-CG 3.46Å; L123-R132 PolarHBondContact O-N 3.5Å; H126-R132 HydrophobicContact CB-CG 4.39Å; H126-R132 VanDerWaalsContact O-CD 3.27Å; H126-R132 WeakPolarHBondContact O-CD 3.49Å; H126-R132 WeakPolarHBondContact O-CG 3.27Å; H126-R132 PolarHBondContact O-NH1 3.35Å; K127-R132 PolarHBondContact O-NH1 3.26Å; N128-R132 PolarHBondContact O-N 3.16Å; W129-R132 PolarHBondContact O-N 3.36Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 3.32Å; R132-G135 CarbonylContact O-C 3.51Å; R132-G135 WeakPolarHBondContact O-CA 3.47Å; R132-G135 PolarHBondContact O-N 3.17Å; R132-Y136 HydrophobicContact CB-CE2 4.17Å; R132-Y136 VanDerWaalsContact O-CD2 3.29Å; R132-Y136 WeakPolarHBondContact O-CD2 3.29Å; R132-Y136 PolarHBondContact O-N 3.44Å; R132-D167 IonicContact CZ-OD1 2.6Å; R132-D167 IonicContact CZ-OD2 3.55Å; R132-D167 IonicContact NE-OD1 2.77Å; R132-D167 IonicContact NE-OD2 3.52Å; R132-D167 PolarHBondContact NE-OD2 3.19Å; R132-D167 IonicContact NH2-OD1 2.93Å; R132-D167 PolarHBondContact NH2-OD1 2.88Å; R132-D167 IonicContact NH2-OD2 2.94Å; R132-D167 PolarHBondContact NH2-OD2 2.86Å; R132-S168 PolarHBondContact NH2-OG 3.33Å |
| 133 | S | 92.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.2 | -45 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | W129 G135 Y136 D137 K175 | W129-S133 VanDerWaalsContact O-CB 3.3Å; W129-S133 WeakPolarHBondContact O-CB 2.99Å; W129-S133 PolarHBondContact O-N 2.89Å; S133-G135 VanDerWaalsContact C-N 3.32Å; S133-Y136 PolarHBondContact O-N 3Å; S133-D137 PolarHBondContact O-N 3.15Å; S133-K175 VanDerWaalsContact OG-CD 3.26Å; S133-K175 WeakPolarHBondContact OG-CD 3.39Å; S133-K175 WeakPolarHBondContact OG-CE 3.17Å |
| 134 | L | 93.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 173.7 | -178.6 | 66.1 | 0 | 0 | 0 | 111.6 | F115 L123 K130 A131 R132 D137 N138 | F115-L134 HydrophobicContact CB-CD2 3.96Å; L123-L134 HydrophobicContact CD1-CD2 4.4Å; L123-L134 HydrophobicContact CD1-CG 4.44Å; L123-L134 HydrophobicContact CD2-CD2 4.4Å; K130-L134 PolarHBondContact O-N 2.98Å; A131-L134 WeakPolarHBondContact O-CB 3.46Å; A131-L134 PolarHBondContact O-N 3.45Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 3.32Å; L134-D137 PolarHBondContact O-N 2.8Å; L134-N138 WeakPolarHBondContact O-CB 3.46Å; L134-N138 VanDerWaalsContact O-CG 3.23Å; L134-N138 PolarHBondContact O-N 3.24Å |
| 135 | G | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L120 A131 R132 S133 N138 L139 | L120-G135 VanDerWaalsContact CD1-O 3.3Å; L120-G135 WeakPolarHBondContact CD1-O 3.26Å; A131-G135 PolarHBondContact O-N 3.07Å; R132-G135 CarbonylContact O-C 3.51Å; R132-G135 WeakPolarHBondContact O-CA 3.47Å; R132-G135 PolarHBondContact O-N 3.17Å; S133-G135 VanDerWaalsContact C-N 3.32Å; G135-N138 PolarHBondContact O-N 3.29Å; G135-L139 VanDerWaalsContact O-CB 3.32Å; G135-L139 WeakPolarHBondContact O-CB 3.43Å; G135-L139 PolarHBondContact O-N 3.38Å |
| 136 | Y | 95.5 | Very high | 89.5 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.1 | -60.9 | -40.9 | 0 | 0 | 0 | 112.2 | L124 R132 S133 N138 L139 L140 A164 D167 A172 K175 V179 | L124-Y136 HydrophobicContact CD2-CD1 3.51Å; L124-Y136 HydrophobicContact CD2-CE1 3.65Å; R132-Y136 HydrophobicContact CB-CE2 4.17Å; R132-Y136 VanDerWaalsContact O-CD2 3.29Å; R132-Y136 WeakPolarHBondContact O-CD2 3.29Å; R132-Y136 PolarHBondContact O-N 3.44Å; S133-Y136 PolarHBondContact O-N 3Å; Y136-N138 VanDerWaalsContact C-N 3.32Å; Y136-N138 PolarHBondContact O-N 3.38Å; Y136-L139 PolarHBondContact O-N 3Å; Y136-L140 WeakPolarHBondContact O-CB 3.48Å; Y136-L140 PolarHBondContact O-N 2.97Å; Y136-A164 HydrophobicContact CD1-CB 4.25Å; Y136-A164 HydrophobicContact CE1-CB 3.66Å; Y136-D167 PolarHBondContact OH-OD2 3.01Å; Y136-A172 HydrophobicContact CD2-CB 4.49Å; Y136-A172 WeakPolarHBondContact CD2-O 3.5Å; Y136-A172 HydrophobicContact CE2-CB 4.17Å; Y136-A172 WeakPolarHBondContact CE2-O 3.5Å; Y136-K175 HydrophobicContact CD2-CB 4.21Å; Y136-K175 HydrophobicContact CG-CB 4.48Å; Y136-V179 HydrophobicContact CD1-CG2 4.46Å; Y136-V179 WeakPolarHBondContact O-CG2 3.28Å |
| 137 | D | 92.4 | Very high | 88.1 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -44.6 | 173.4 | -70.3 | -47.1 | 0 | 0 | 0 | 111.7 | S133 L134 L139 L140 K141 K175 | S133-D137 PolarHBondContact O-N 3.15Å; L134-D137 PolarHBondContact O-N 2.8Å; D137-L139 VanDerWaalsContact C-N 3.34Å; D137-L140 PolarHBondContact O-N 2.74Å; D137-K141 WeakPolarHBondContact O-CG 3.48Å; D137-K141 PolarHBondContact O-N 3.02Å; D137-K175 WeakPolarHBondContact OD1-CD 3.3Å; D137-K175 IonicContact OD1-NZ 3.84Å; D137-K175 PolarHBondContact OD1-NZ 3.07Å; D137-K175 IonicContact OD2-NZ 3.33Å; D137-K175 PolarHBondContact OD2-NZ 3.11Å |
| 138 | N | 92.2 | Very high | 87.1 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 179.3 | -73.4 | -11.4 | 0 | 0 | 0 | 111.8 | L120 L134 G135 Y136 K142 | L120-N138 HydrophobicContact CD1-CB 3.63Å; L134-N138 WeakPolarHBondContact O-CB 3.46Å; L134-N138 VanDerWaalsContact O-CG 3.23Å; L134-N138 PolarHBondContact O-N 3.24Å; G135-N138 PolarHBondContact O-N 3.29Å; Y136-N138 VanDerWaalsContact C-N 3.32Å; Y136-N138 PolarHBondContact O-N 3.38Å; N138-K142 PolarHBondContact O-N 3.12Å; N138-K142 VanDerWaalsContact O-N 3.11Å |
| 139 | L | 91.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.1 | -40.7 | 177 | -173.8 | 57.6 | 0 | 0 | 0 | 111.7 | L120 L124 G135 Y136 D137 K141 K142 F143 Y157 V179 | L120-L139 HydrophobicContact CD2-CD1 4.26Å; L124-L139 HydrophobicContact CD1-CD2 4.07Å; L124-L139 HydrophobicContact CD2-CB 4.44Å; L124-L139 HydrophobicContact CD2-CD2 4Å; G135-L139 VanDerWaalsContact O-CB 3.32Å; G135-L139 WeakPolarHBondContact O-CB 3.43Å; G135-L139 PolarHBondContact O-N 3.38Å; Y136-L139 PolarHBondContact O-N 3Å; D137-L139 VanDerWaalsContact C-N 3.34Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.32Å; L139-K142 WeakPolarHBondContact O-CB 3.39Å; L139-K142 PolarHBondContact O-N 2.84Å; L139-K142 VanDerWaalsContact O-N 3.11Å; L139-F143 HydrophobicContact CD1-CD1 4.31Å; L139-F143 HydrophobicContact CD1-CE1 3.68Å; L139-F143 HydrophobicContact CD1-CE2 4.23Å; L139-F143 HydrophobicContact CD1-CZ 3.62Å; L139-F143 HydrophobicContact CD2-CE2 4.27Å; L139-F143 HydrophobicContact CD2-CZ 4.12Å; L139-F143 HydrophobicContact CG-CD2 4.44Å; L139-F143 HydrophobicContact CG-CE1 4.26Å; L139-F143 HydrophobicContact CG-CE2 3.89Å; L139-F143 HydrophobicContact CG-CZ 3.78Å; L139-F143 PolarHBondContact O-N 3.39Å; L139-Y157 HydrophobicContact CD1-CD1 4.03Å; L139-Y157 HydrophobicContact CD1-CD2 3.62Å; L139-Y157 HydrophobicContact CD1-CE2 4.27Å; L139-Y157 HydrophobicContact CD1-CG 3.5Å; L139-Y157 VanDerWaalsContact CD1-CG 3.5Å; L139-V179 HydrophobicContact CB-CG1 4.49Å; L139-V179 HydrophobicContact CB-CG2 4.43Å; L139-V179 HydrophobicContact CD2-CG1 3.62Å; L139-V179 HydrophobicContact CG-CG1 3.91Å |
| 140 | L | 91.4 | Very high | 85.2 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 26% | 0.257 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.2 | -174 | 65.5 | 0 | 0 | 0 | 111.2 | Y136 D137 K142 F143 A144 E178 V179 A182 | Y136-L140 WeakPolarHBondContact O-CB 3.48Å; Y136-L140 PolarHBondContact O-N 2.97Å; D137-L140 PolarHBondContact O-N 2.74Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 3.05Å; L140-F143 PolarHBondContact O-N 2.96Å; L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-A144 PolarHBondContact O-N 3.01Å; L140-E178 HydrophobicContact CD2-CB 4.29Å; L140-V179 HydrophobicContact CB-CG2 4Å; L140-A182 HydrophobicContact CD1-CB 3.64Å |
| 141 | K | 90.3 | Very high | 84.5 | Confident | 143 Ų | 143 | 52 Ų | 52 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.2 | -38.9 | 173.8 | -72.5 | 173.1 | -176 | 174.7 | 0 | 112.4 | D137 L139 A144 S145 | D137-K141 WeakPolarHBondContact O-CG 3.48Å; D137-K141 PolarHBondContact O-N 3.02Å; L139-K141 VanDerWaalsContact C-N 3.33Å; L139-K141 PolarHBondContact O-N 3.32Å; K141-A144 PolarHBondContact O-N 3.47Å; K141-S145 PolarHBondContact O-N 3.32Å; K141-S145 PolarHBondContact O-OG 2.8Å |
| 142 | K | 87.4 | Confident | 84 | Confident | 80 Ų | 80 | 57 Ų | 57 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 176.2 | -79.5 | -168.3 | -179.1 | -168.5 | 0 | 112.8 | L120 N138 L139 L140 S145 V153 Y157 | L120-K142 HydrophobicContact CD2-CD 3.64Å; N138-K142 PolarHBondContact O-N 3.12Å; N138-K142 VanDerWaalsContact O-N 3.11Å; L139-K142 WeakPolarHBondContact O-CB 3.39Å; L139-K142 PolarHBondContact O-N 2.84Å; L139-K142 VanDerWaalsContact O-N 3.11Å; L140-K142 VanDerWaalsContact C-N 3.31Å; L140-K142 PolarHBondContact O-N 3.05Å; K142-S145 PolarHBondContact O-N 3.34Å; K142-S145 PolarHBondContact O-OG 2.92Å; K142-V153 HydrophobicContact CB-CG2 4.19Å; K142-V153 HydrophobicContact CD-CG2 4.4Å; K142-Y157 HydrophobicContact CD-CE2 4Å; K142-Y157 PolarHBondContact NZ-OH 3.27Å |
| 143 | F | 88.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67 | -42.4 | 175 | -66.6 | -17.1 | 0 | 0 | 0 | 110.9 | L139 L140 S145 G146 V153 F154 V179 A182 F183 Q186 | L139-F143 HydrophobicContact CD1-CD1 4.31Å; L139-F143 HydrophobicContact CD1-CE1 3.68Å; L139-F143 HydrophobicContact CD1-CE2 4.23Å; L139-F143 HydrophobicContact CD1-CZ 3.62Å; L139-F143 HydrophobicContact CD2-CE2 4.27Å; L139-F143 HydrophobicContact CD2-CZ 4.12Å; L139-F143 HydrophobicContact CG-CD2 4.44Å; L139-F143 HydrophobicContact CG-CE1 4.26Å; L139-F143 HydrophobicContact CG-CE2 3.89Å; L139-F143 HydrophobicContact CG-CZ 3.78Å; L139-F143 PolarHBondContact O-N 3.39Å; L140-F143 PolarHBondContact O-N 2.96Å; F143-S145 PolarHBondContact O-N 2.92Å; F143-S145 VanDerWaalsContact O-N 3.14Å; F143-G146 PolarHBondContact O-N 2.98Å; F143-V153 HydrophobicContact CD1-CG1 4.49Å; F143-F154 HydrophobicContact CB-CE1 3.97Å; F143-F154 AromaticContact CD1-CD1 3.69Å; F143-F154 HydrophobicContact CD1-CD1 3.69Å; F143-F154 AromaticContact CD1-CE1 3.58Å; F143-F154 HydrophobicContact CD1-CE1 3.58Å; F143-F154 HydrophobicContact CD2-CE1 4.47Å; F143-F154 AromaticContact CE1-CD1 3.8Å; F143-F154 HydrophobicContact CE1-CD1 3.8Å; F143-F154 HydrophobicContact CE1-CE1 4.17Å; F143-F154 HydrophobicContact CG-CD1 4.23Å; F143-F154 AromaticContact CG-CE1 3.77Å; F143-F154 HydrophobicContact CG-CE1 3.77Å; F143-F154 HydrophobicContact CZ-CD1 4.4Å; F143-V179 HydrophobicContact CD2-CG1 4.11Å; F143-V179 HydrophobicContact CE2-CG1 3.58Å; F143-A182 HydrophobicContact CB-CB 4.43Å; F143-A182 HydrophobicContact CD2-CB 4.44Å; F143-F183 HydrophobicContact CD2-CB 4.31Å; F143-F183 HydrophobicContact CE1-CD2 4.33Å; F143-F183 HydrophobicContact CE2-CB 3.9Å; F143-F183 AromaticContact CE2-CD2 3.76Å; F143-F183 HydrophobicContact CE2-CD2 3.76Å; F143-F183 HydrophobicContact CE2-CG 4.32Å; F143-F183 AromaticContact CZ-CD2 3.62Å; F143-F183 HydrophobicContact CZ-CD2 3.62Å; F143-F183 HydrophobicContact CZ-CE2 4.34Å; F143-Q186 PolarHBondContact O-OE1 3.31Å |
| 144 | A | 82 | Confident | 83.4 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.8 | -24.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L140 K141 | L140-A144 WeakPolarHBondContact O-CB 3.39Å; L140-A144 PolarHBondContact O-N 3.01Å; K141-A144 PolarHBondContact O-N 3.47Å |
| 145 | S | 78.1 | Confident | 82.9 | Confident | 91 Ų | 91 | 58.2 Ų | 58.2 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -8 | 175.1 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | K141 K142 F143 | K141-S145 PolarHBondContact O-N 3.32Å; K141-S145 PolarHBondContact O-OG 2.8Å; K142-S145 PolarHBondContact O-N 3.34Å; K142-S145 PolarHBondContact O-OG 2.92Å; F143-S145 PolarHBondContact O-N 2.92Å; F143-S145 VanDerWaalsContact O-N 3.14Å |
| 146 | G | 67.4 | Low | 82.6 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | trans | -81.1 | 131.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F143 E151 | F143-G146 PolarHBondContact O-N 2.98Å; G146-E151 VanDerWaalsContact CA-CD 3.46Å; G146-E151 WeakPolarHBondContact CA-OE1 3.29Å; G146-E151 WeakPolarHBondContact CA-OE2 3.4Å | ||
| 147 | S | 64.7 | Low | 82.3 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 83% | 0.832 | 38% | 0.375 | S | S | * | . | trans | -91.9 | -7.4 | -176 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | E151 | S147-E151 PolarHBondContact N-OE1 3.38Å; S147-E151 PolarHBondContact OG-OE1 3.33Å | ||
| 148 | G | 68.1 | Low | 82 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -162.8 | 159.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | N150 E151 | G148-N150 PolarHBondContact O-N 2.61Å; G148-E151 PolarHBondContact O-N 2.91Å |
| 149 | E | 70.3 | Confident | 81.7 | Confident | 95 Ų | 95 | 64.9 Ų | 64.9 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18 | -171.3 | -59.4 | 179 | 173.2 | 0 | 0 | 115.5 | Q186 S188 | E149-Q186 VanDerWaalsContact CA-O 3.24Å; E149-Q186 WeakPolarHBondContact CA-O 3.37Å; E149-Q186 WeakPolarHBondContact CG-O 3.23Å; E149-S188 PolarHBondContact O-N 3.25Å |
| 150 | N | 71.1 | Confident | 81.5 | Confident | 141 Ų | 141 | 67.4 Ų | 67.4 | 75% | 0.754 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | 15.8 | -176.1 | -68.7 | -31.9 | 0 | 0 | 0 | 113.3 | G148 | G148-N150 PolarHBondContact O-N 2.61Š|
| 151 | E | 77.1 | Confident | 81.3 | Confident | 53 Ų | 53 | 65 Ų | 65 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | trans | -63.6 | 137.9 | 178.2 | -82.7 | -161.5 | -170.8 | 0 | 0 | 112.3 | G146 S147 G148 V153 F154 | G146-E151 VanDerWaalsContact CA-CD 3.46Å; G146-E151 WeakPolarHBondContact CA-OE1 3.29Å; G146-E151 WeakPolarHBondContact CA-OE2 3.4Å; S147-E151 PolarHBondContact N-OE1 3.38Å; S147-E151 PolarHBondContact OG-OE1 3.33Å; G148-E151 PolarHBondContact O-N 2.91Å; E151-V153 HydrophobicContact CB-CG1 3.98Å; E151-V153 PolarHBondContact O-N 2.96Å; E151-F154 HydrophobicContact CB-CD2 4.04Å; E151-F154 HydrophobicContact CB-CE2 4.18Å; E151-F154 PolarHBondContact O-N 3.17Å; E151-F154 VanDerWaalsContact O-N 3.08Å | ||
| 152 | P | 80.2 | Confident | 81.1 | Confident | 106 Ų | 106 | 62 Ų | 62 | 69% | 0.688 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -56.4 | -23.8 | -179.5 | -24.6 | 32.5 | 0 | 0 | 0 | 114 | F154 A155 K156 | P152-F154 VanDerWaalsContact C-N 3.3Å; P152-F154 PolarHBondContact O-N 3.32Å; P152-A155 PolarHBondContact O-N 3.38Å; P152-K156 WeakPolarHBondContact O-CB 3.47Å; P152-K156 PolarHBondContact O-N 3.03Å |
| 153 | V | 86.2 | Confident | 81 | Confident | 29 Ų | 29 | 60 Ų | 60 | 18% | 0.176 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | K142 F143 E151 K156 Y157 | K142-V153 HydrophobicContact CB-CG2 4.19Å; K142-V153 HydrophobicContact CD-CG2 4.4Å; F143-V153 HydrophobicContact CD1-CG1 4.49Å; E151-V153 HydrophobicContact CB-CG1 3.98Å; E151-V153 PolarHBondContact O-N 2.96Å; V153-K156 PolarHBondContact O-N 3.07Å; V153-Y157 HydrophobicContact CG2-CD2 3.88Å; V153-Y157 HydrophobicContact CG2-CE2 3.97Å; V153-Y157 VanDerWaalsContact O-CD2 3.28Å; V153-Y157 WeakPolarHBondContact O-CD2 3.06Å; V153-Y157 PolarHBondContact O-N 3.44Å |
| 154 | F | 88.3 | Confident | 81 | Confident | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 179.1 | -64.1 | -62.9 | 0 | 0 | 0 | 110.9 | F143 E151 P152 K156 Y157 A158 F183 Q186 A187 | F143-F154 HydrophobicContact CB-CE1 3.97Å; F143-F154 AromaticContact CD1-CD1 3.69Å; F143-F154 HydrophobicContact CD1-CD1 3.69Å; F143-F154 AromaticContact CD1-CE1 3.58Å; F143-F154 HydrophobicContact CD1-CE1 3.58Å; F143-F154 HydrophobicContact CD2-CE1 4.47Å; F143-F154 AromaticContact CE1-CD1 3.8Å; F143-F154 HydrophobicContact CE1-CD1 3.8Å; F143-F154 HydrophobicContact CE1-CE1 4.17Å; F143-F154 HydrophobicContact CG-CD1 4.23Å; F143-F154 AromaticContact CG-CE1 3.77Å; F143-F154 HydrophobicContact CG-CE1 3.77Å; F143-F154 HydrophobicContact CZ-CD1 4.4Å; E151-F154 HydrophobicContact CB-CD2 4.04Å; E151-F154 HydrophobicContact CB-CE2 4.18Å; E151-F154 PolarHBondContact O-N 3.17Å; E151-F154 VanDerWaalsContact O-N 3.08Å; P152-F154 VanDerWaalsContact C-N 3.3Å; P152-F154 PolarHBondContact O-N 3.32Å; F154-K156 VanDerWaalsContact C-N 3.32Å; F154-K156 PolarHBondContact O-N 3.19Å; F154-Y157 PolarHBondContact O-N 2.76Å; F154-A158 WeakPolarHBondContact O-CB 3.34Å; F154-A158 PolarHBondContact O-N 2.72Å; F154-F183 HydrophobicContact CB-CE2 3.91Å; F154-F183 AromaticContact CD1-CD2 3.87Å; F154-F183 HydrophobicContact CD1-CD2 3.87Å; F154-F183 HydrophobicContact CD1-CE2 4.05Å; F154-F183 HydrophobicContact CG-CE2 4.46Å; F154-F183 WeakPolarHBondContact O-CE2 3.44Å; F154-Q186 HydrophobicContact CE1-CB 4.04Å; F154-Q186 HydrophobicContact CE2-CB 4.44Å; F154-Q186 HydrophobicContact CZ-CB 3.61Å; F154-A187 HydrophobicContact CB-CB 3.76Å; F154-A187 HydrophobicContact CD1-CB 3.56Å; F154-A187 HydrophobicContact CD2-CB 4.12Å; F154-A187 HydrophobicContact CE1-CB 4.14Å; F154-A187 HydrophobicContact CG-CB 3.55Å |
| 155 | A | 84.1 | Confident | 81.5 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P152 Y157 | P152-A155 PolarHBondContact O-N 3.38Å; A155-Y157 PolarHBondContact O-N 3.2Å |
| 156 | K | 86.8 | Confident | 82 | Confident | 119 Ų | 119 | 56.1 Ų | 56.1 | 52% | 0.517 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 179.4 | -176.2 | 178.4 | 176.1 | -169.2 | 0 | 112.5 | E121 P152 V153 F154 | E121-K156 WeakPolarHBondContact OE1-CE 3.16Å; E121-K156 IonicContact OE1-NZ 2.74Å; E121-K156 PolarHBondContact OE1-NZ 2.86Å; P152-K156 WeakPolarHBondContact O-CB 3.47Å; P152-K156 PolarHBondContact O-N 3.03Å; V153-K156 PolarHBondContact O-N 3.07Å; F154-K156 VanDerWaalsContact C-N 3.32Å; F154-K156 PolarHBondContact O-N 3.19Å |
| 157 | Y | 89.5 | Confident | 83.2 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -101 | -3.8 | -173.4 | -64.4 | -68.8 | 0 | 0 | 0 | 114.8 | L120 E121 L124 L139 K142 V153 F154 A155 P159 F160 | L120-Y157 HydrophobicContact CD2-CE1 3.95Å; L120-Y157 HydrophobicContact CD2-CE2 4.29Å; L120-Y157 HydrophobicContact CG-CE1 4.26Å; E121-Y157 HydrophobicContact CG-CE1 4.12Å; E121-Y157 WeakPolarHBondContact OE1-CE1 3.13Å; E121-Y157 PolarHBondContact OE1-OH 3.45Å; L124-Y157 HydrophobicContact CD1-CD1 4.18Å; L124-Y157 HydrophobicContact CD1-CE1 4.5Å; L139-Y157 HydrophobicContact CD1-CD1 4.03Å; L139-Y157 HydrophobicContact CD1-CD2 3.62Å; L139-Y157 HydrophobicContact CD1-CE2 4.27Å; L139-Y157 HydrophobicContact CD1-CG 3.5Å; L139-Y157 VanDerWaalsContact CD1-CG 3.5Å; K142-Y157 HydrophobicContact CD-CE2 4Å; K142-Y157 PolarHBondContact NZ-OH 3.27Å; V153-Y157 HydrophobicContact CG2-CD2 3.88Å; V153-Y157 HydrophobicContact CG2-CE2 3.97Å; V153-Y157 VanDerWaalsContact O-CD2 3.28Å; V153-Y157 WeakPolarHBondContact O-CD2 3.06Å; V153-Y157 PolarHBondContact O-N 3.44Å; F154-Y157 PolarHBondContact O-N 2.76Å; A155-Y157 PolarHBondContact O-N 3.2Å; Y157-P159 VanDerWaalsContact C-N 3.3Å; Y157-F160 AromaticContact CD1-CD2 3.99Å; Y157-F160 HydrophobicContact CD1-CD2 3.99Å; Y157-F160 HydrophobicContact CD1-CE2 4.15Å; Y157-F160 PolarHBondContact O-N 2.93Å |
| 158 | A | 86.4 | Confident | 84.3 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -48 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F154 F160 V161 F183 L193 | F154-A158 WeakPolarHBondContact O-CB 3.34Å; F154-A158 PolarHBondContact O-N 2.72Å; A158-F160 PolarHBondContact O-N 3.39Å; A158-V161 WeakPolarHBondContact O-CB 3.38Å; A158-V161 WeakPolarHBondContact O-CG2 3.1Å; A158-V161 PolarHBondContact O-N 2.89Å; A158-F183 HydrophobicContact CB-CE2 4.18Å; A158-F183 HydrophobicContact CB-CZ 3.83Å; A158-L193 HydrophobicContact CB-CD2 4.27Å |
| 159 | P | 86.2 | Confident | 85.4 | Confident | 100 Ų | 100 | 55.8 Ų | 55.8 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.2 | -25.9 | 178.7 | -24 | 35.6 | 0 | 0 | 0 | 114.5 | Y157 | Y157-P159 VanDerWaalsContact C-N 3.3Å |
| 160 | F | 87.9 | Confident | 86.3 | Confident | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -83.9 | -16.3 | -178.3 | -59.3 | -84.9 | 0 | 0 | 0 | 112.9 | E121 L124 I125 Y157 A158 K162 G163 A164 | E121-F160 HydrophobicContact CB-CZ 4.44Å; E121-F160 HydrophobicContact CG-CZ 4.43Å; L124-F160 HydrophobicContact CB-CD1 4.01Å; L124-F160 HydrophobicContact CB-CE1 4.46Å; L124-F160 HydrophobicContact CD1-CB 4.15Å; L124-F160 HydrophobicContact CD1-CD1 4.12Å; L124-F160 HydrophobicContact CD1-CD2 4.26Å; L124-F160 HydrophobicContact CD1-CG 3.92Å; I125-F160 HydrophobicContact CG2-CD1 4.1Å; I125-F160 HydrophobicContact CG2-CE1 3.92Å; Y157-F160 AromaticContact CD1-CD2 3.99Å; Y157-F160 HydrophobicContact CD1-CD2 3.99Å; Y157-F160 HydrophobicContact CD1-CE2 4.15Å; Y157-F160 PolarHBondContact O-N 2.93Å; A158-F160 PolarHBondContact O-N 3.39Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.01Å; F160-G163 PolarHBondContact O-N 3.47Å; F160-G163 VanDerWaalsContact O-N 3.13Å; F160-A164 PolarHBondContact O-N 2.73Å; F160-A164 VanDerWaalsContact O-N 3.09Å |
| 161 | V | 87.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | -178 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | A158 G163 A164 V180 F183 L197 | A158-V161 WeakPolarHBondContact O-CB 3.38Å; A158-V161 WeakPolarHBondContact O-CG2 3.1Å; A158-V161 PolarHBondContact O-N 2.89Å; V161-G163 VanDerWaalsContact C-N 3.34Å; V161-G163 PolarHBondContact O-N 3.41Å; V161-A164 WeakPolarHBondContact O-CB 3.43Å; V161-A164 PolarHBondContact O-N 3.38Å; V161-V180 HydrophobicContact CG1-CB 4.34Å; V161-V180 HydrophobicContact CG1-CG1 4.26Å; V161-V180 HydrophobicContact CG1-CG2 3.72Å; V161-F183 HydrophobicContact CG1-CD1 4.39Å; V161-F183 HydrophobicContact CG2-CB 4.45Å; V161-F183 HydrophobicContact CG2-CD1 4.18Å; V161-F183 HydrophobicContact CG2-CD2 3.82Å; V161-F183 HydrophobicContact CG2-CE1 4.42Å; V161-F183 HydrophobicContact CG2-CE2 4.06Å; V161-F183 HydrophobicContact CG2-CG 3.88Å; V161-F183 HydrophobicContact CG2-CZ 4.36Å; V161-L197 HydrophobicContact CG1-CD1 4.17Å |
| 162 | K | 85.1 | Confident | 87.8 | Confident | 79 Ų | 79 | 46.6 Ų | 46.6 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.5 | -173.1 | 178.4 | -174 | 171.4 | 0 | 112.1 | F160 A164 V165 L166 D196 | F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.01Å; K162-A164 VanDerWaalsContact C-N 3.3Å; K162-A164 PolarHBondContact O-N 2.94Å; K162-V165 PolarHBondContact O-N 3.45Å; K162-L166 HydrophobicContact CG-CD1 4.23Å; K162-L166 PolarHBondContact O-N 3.37Å; K162-D196 HydrophobicContact CD-CB 4.2Å; K162-D196 IonicContact NZ-OD2 3.37Å; K162-D196 PolarHBondContact NZ-OD2 2.86Å |
| 163 | G | 85.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 42.1 Ų | 42.1 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | F160 V161 V165 L166 D167 | F160-G163 PolarHBondContact O-N 3.47Å; F160-G163 VanDerWaalsContact O-N 3.13Å; V161-G163 VanDerWaalsContact C-N 3.34Å; V161-G163 PolarHBondContact O-N 3.41Å; G163-V165 VanDerWaalsContact C-N 3.32Å; G163-V165 PolarHBondContact O-N 3.01Å; G163-L166 CarbonylContact O-C 3.5Å; G163-L166 PolarHBondContact O-N 2.96Å; G163-L166 VanDerWaalsContact O-N 3.16Å; G163-D167 PolarHBondContact O-N 3.41Å |
| 164 | A | 89.3 | Confident | 88.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y136 F160 V161 K162 L166 V180 | Y136-A164 HydrophobicContact CD1-CB 4.25Å; Y136-A164 HydrophobicContact CE1-CB 3.66Å; F160-A164 PolarHBondContact O-N 2.73Å; F160-A164 VanDerWaalsContact O-N 3.09Å; V161-A164 WeakPolarHBondContact O-CB 3.43Å; V161-A164 PolarHBondContact O-N 3.38Å; K162-A164 VanDerWaalsContact C-N 3.3Å; K162-A164 PolarHBondContact O-N 2.94Å; A164-L166 VanDerWaalsContact C-N 3.34Å; A164-V180 HydrophobicContact CB-CG2 4.21Å |
| 165 | V | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.4 | -24.9 | 176.7 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | K162 G163 L177 V180 L197 A200 L201 C205 | K162-V165 PolarHBondContact O-N 3.45Å; G163-V165 VanDerWaalsContact C-N 3.32Å; G163-V165 PolarHBondContact O-N 3.01Å; V165-L177 HydrophobicContact CG1-CD2 4.36Å; V165-L177 HydrophobicContact CG2-CD2 4.48Å; V165-V180 HydrophobicContact CG2-CB 4.4Å; V165-V180 HydrophobicContact CG2-CG1 4.33Å; V165-V180 HydrophobicContact CG2-CG2 3.47Å; V165-V180 VanDerWaalsContact CG2-CG2 3.47Å; V165-L197 HydrophobicContact CG2-CD1 3.51Å; V165-A200 HydrophobicContact CG1-CB 4.1Å; V165-L201 HydrophobicContact CG1-CD2 3.65Å; V165-L201 HydrophobicContact CG1-CG 3.96Å; V165-L201 HydrophobicContact CG2-CD2 4.48Å; V165-C205 WeakPolarHBondContact CG1-SG 3.47Å; V165-C205 PolarHBondContact O-SG 2.84Å; V165-C205 VanDerWaalsContact O-SG 3.41Å |
| 166 | L | 90 | Very high | 89.4 | Confident | 83 Ų | 83 | 41.5 Ų | 41.5 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 14.7 | -178.5 | -63.1 | 175.6 | 0 | 0 | 0 | 113.1 | K162 G163 A164 S168 A200 N204 | K162-L166 HydrophobicContact CG-CD1 4.23Å; K162-L166 PolarHBondContact O-N 3.37Å; G163-L166 CarbonylContact O-C 3.5Å; G163-L166 PolarHBondContact O-N 2.96Å; G163-L166 VanDerWaalsContact O-N 3.16Å; A164-L166 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.88Å; L166-A200 HydrophobicContact CD2-CB 4.01Å; L166-A200 HydrophobicContact CG-CB 4.36Å; L166-N204 HydrophobicContact CD2-CB 4.4Å; L166-N204 VanDerWaalsContact CD2-ND2 3.29Å; L166-N204 WeakPolarHBondContact CD2-ND2 3.37Å |
| 167 | D | 92.4 | Very high | 89.8 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | trans | -65.2 | 123.5 | -178.1 | -164.4 | -43.6 | 0 | 0 | 0 | 110.9 | R132 Y136 G163 N169 A172 M173 | R132-D167 IonicContact CZ-OD1 2.6Å; R132-D167 IonicContact CZ-OD2 3.55Å; R132-D167 IonicContact NE-OD1 2.77Å; R132-D167 IonicContact NE-OD2 3.52Å; R132-D167 PolarHBondContact NE-OD2 3.19Å; R132-D167 IonicContact NH2-OD1 2.93Å; R132-D167 PolarHBondContact NH2-OD1 2.88Å; R132-D167 IonicContact NH2-OD2 2.94Å; R132-D167 PolarHBondContact NH2-OD2 2.86Å; Y136-D167 PolarHBondContact OH-OD2 3.01Å; G163-D167 PolarHBondContact O-N 3.41Å; D167-N169 PolarHBondContact O-N 3.19Å; D167-N169 VanDerWaalsContact O-N 3.13Å; D167-N169 PolarHBondContact OD1-N 3.5Å; D167-A172 WeakPolarHBondContact OD2-CB 3.24Å; D167-M173 HydrophobicContact CB-CB 4.07Å | ||
| 168 | S | 87.5 | Confident | 90 | Very high | 110 Ų | 110 | 38.5 Ų | 38.5 | 77% | 0.769 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -52.2 | -29.5 | 175.4 | 56.4 | 0 | 0 | 0 | 0 | 115 | R132 L166 | R132-S168 PolarHBondContact NH2-OG 3.33Å; L166-S168 PolarHBondContact O-N 2.88Å |
| 169 | N | 91.7 | Very high | 90.3 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -98.1 | 121.8 | -179.4 | -176.8 | -76.1 | 0 | 0 | 0 | 110.2 | W129 D167 S171 A172 M173 | W129-N169 HydrophobicContact CB-CB 3.67Å; W129-N169 HydrophobicContact CG-CB 4.15Å; D167-N169 PolarHBondContact O-N 3.19Å; D167-N169 VanDerWaalsContact O-N 3.13Å; D167-N169 PolarHBondContact OD1-N 3.5Å; N169-S171 VanDerWaalsContact C-N 3.31Å; N169-S171 PolarHBondContact O-N 3.22Å; N169-S171 WeakPolarHBondContact OD1-CB 3.21Å; N169-S171 PolarHBondContact OD1-N 2.93Å; N169-A172 HydrophobicContact CB-CB 4.08Å; N169-A172 PolarHBondContact O-N 3.32Å; N169-A172 VanDerWaalsContact O-N 3.09Å; N169-A172 PolarHBondContact OD1-N 3.4Å; N169-A172 VanDerWaalsContact OD1-N 3.14Å; N169-M173 WeakPolarHBondContact O-CB 3.42Å; N169-M173 PolarHBondContact O-N 3.37Å |
| 170 | I | 88 | Confident | 90.7 | Very high | 59 Ų | 59 | 32.8 Ų | 32.8 | 30% | 0.303 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.7 | -40.6 | -176.3 | -64 | 152.9 | 0 | 0 | 0 | 112.6 | M173 E174 P209 R210 | I170-M173 HydrophobicContact CG2-CE 4.45Å; I170-M173 PolarHBondContact O-N 3.49Å; I170-E174 WeakPolarHBondContact O-CG 3.36Å; I170-E174 PolarHBondContact O-N 2.84Å; I170-P209 HydrophobicContact CD1-CG 3.44Å; I170-P209 VanDerWaalsContact CD1-CG 3.44Å; I170-P209 HydrophobicContact CG1-CG 4.21Å; I170-R210 HydrophobicContact CG2-CB 4.48Å; I170-R210 HydrophobicContact CG2-CG 4.05Å |
| 171 | S | 88.6 | Confident | 91 | Very high | 37 Ų | 37 | 33.8 Ų | 33.8 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.8 | -36.6 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | N169 K175 R210 | N169-S171 VanDerWaalsContact C-N 3.31Å; N169-S171 PolarHBondContact O-N 3.22Å; N169-S171 WeakPolarHBondContact OD1-CB 3.21Å; N169-S171 PolarHBondContact OD1-N 2.93Å; S171-K175 PolarHBondContact O-N 2.64Å; S171-R210 PolarHBondContact OG-NH1 2.92Å; S171-R210 VanDerWaalsContact OG-NH1 3.14Å |
| 172 | A | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.8 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W129 Y136 D167 N169 E174 K175 G176 | W129-A172 HydrophobicContact CB-CB 4.48Å; Y136-A172 HydrophobicContact CD2-CB 4.49Å; Y136-A172 WeakPolarHBondContact CD2-O 3.5Å; Y136-A172 HydrophobicContact CE2-CB 4.17Å; Y136-A172 WeakPolarHBondContact CE2-O 3.5Å; D167-A172 WeakPolarHBondContact OD2-CB 3.24Å; N169-A172 HydrophobicContact CB-CB 4.08Å; N169-A172 PolarHBondContact O-N 3.32Å; N169-A172 VanDerWaalsContact O-N 3.09Å; N169-A172 PolarHBondContact OD1-N 3.4Å; N169-A172 VanDerWaalsContact OD1-N 3.14Å; A172-E174 VanDerWaalsContact C-N 3.33Å; A172-E174 PolarHBondContact O-N 3.31Å; A172-K175 PolarHBondContact O-N 2.82Å; A172-G176 PolarHBondContact O-N 2.72Å |
| 173 | M | 93 | Very high | 91.5 | Very high | 13 Ų | 13 | 30.8 Ų | 30.8 | 6% | 0.064 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -40.1 | 173.6 | -174.3 | -171.8 | 62.8 | 0 | 0 | 111.8 | D167 N169 I170 K175 G176 L177 A208 | D167-M173 HydrophobicContact CB-CB 4.07Å; N169-M173 WeakPolarHBondContact O-CB 3.42Å; N169-M173 PolarHBondContact O-N 3.37Å; I170-M173 HydrophobicContact CG2-CE 4.45Å; I170-M173 PolarHBondContact O-N 3.49Å; M173-K175 VanDerWaalsContact C-N 3.34Å; M173-K175 PolarHBondContact O-N 3.11Å; M173-G176 CarbonylContact O-C 3.59Å; M173-G176 WeakPolarHBondContact O-CA 3.32Å; M173-G176 PolarHBondContact O-N 2.93Å; M173-G176 VanDerWaalsContact O-N 3.08Å; M173-L177 WeakPolarHBondContact O-CG 3.43Å; M173-L177 PolarHBondContact O-N 3.16Å; M173-A208 HydrophobicContact CE-CB 3.96Å |
| 174 | E | 92.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 29 Ų | 29 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.4 | -79.3 | -179.6 | 142 | 0 | 0 | 112 | I170 A172 G176 L177 E178 R210 S213 | I170-E174 WeakPolarHBondContact O-CG 3.36Å; I170-E174 PolarHBondContact O-N 2.84Å; A172-E174 VanDerWaalsContact C-N 3.33Å; A172-E174 PolarHBondContact O-N 3.31Å; E174-G176 VanDerWaalsContact C-N 3.33Å; E174-L177 PolarHBondContact O-N 3.46Å; E174-E178 PolarHBondContact O-N 3.24Å; E174-R210 WeakPolarHBondContact OE1-CD 3.37Å; E174-R210 IonicContact OE2-CZ 3.37Å; E174-R210 IonicContact OE2-NH1 3Å; E174-R210 PolarHBondContact OE2-NH1 3.14Å; E174-S213 WeakPolarHBondContact CG-OG 3.3Å; E174-S213 PolarHBondContact OE1-OG 3.04Å |
| 175 | K | 92.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 31.7 Ų | 31.7 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 172.2 | -58.2 | -140.8 | -176.5 | -168.9 | 0 | 112.1 | S133 Y136 D137 S171 A172 M173 L177 E178 V179 | S133-K175 VanDerWaalsContact OG-CD 3.26Å; S133-K175 WeakPolarHBondContact OG-CD 3.39Å; S133-K175 WeakPolarHBondContact OG-CE 3.17Å; Y136-K175 HydrophobicContact CD2-CB 4.21Å; Y136-K175 HydrophobicContact CG-CB 4.48Å; D137-K175 WeakPolarHBondContact OD1-CD 3.3Å; D137-K175 IonicContact OD1-NZ 3.84Å; D137-K175 PolarHBondContact OD1-NZ 3.07Å; D137-K175 IonicContact OD2-NZ 3.33Å; D137-K175 PolarHBondContact OD2-NZ 3.11Å; S171-K175 PolarHBondContact O-N 2.64Å; A172-K175 PolarHBondContact O-N 2.82Å; M173-K175 VanDerWaalsContact C-N 3.34Å; M173-K175 PolarHBondContact O-N 3.11Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.52Å; K175-E178 WeakPolarHBondContact O-CB 3.36Å; K175-E178 PolarHBondContact O-N 2.83Å; K175-V179 WeakPolarHBondContact O-CG2 3.4Å; K175-V179 PolarHBondContact O-N 3.35Å; K175-V179 VanDerWaalsContact O-N 3.09Å |
| 176 | G | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A172 M173 E174 E178 V179 V180 | A172-G176 PolarHBondContact O-N 2.72Å; M173-G176 CarbonylContact O-C 3.59Å; M173-G176 WeakPolarHBondContact O-CA 3.32Å; M173-G176 PolarHBondContact O-N 2.93Å; M173-G176 VanDerWaalsContact O-N 3.08Å; E174-G176 VanDerWaalsContact C-N 3.33Å; G176-E178 VanDerWaalsContact C-N 3.35Å; G176-V179 WeakPolarHBondContact O-CB 3.41Å; G176-V179 PolarHBondContact O-N 2.79Å; G176-V180 WeakPolarHBondContact O-CG2 3.46Å; G176-V180 PolarHBondContact O-N 3.47Å |
| 177 | L | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 175.3 | -70.6 | 170.7 | 0 | 0 | 0 | 112 | V165 M173 E174 K175 V180 Y181 L201 R216 I220 | V165-L177 HydrophobicContact CG1-CD2 4.36Å; V165-L177 HydrophobicContact CG2-CD2 4.48Å; M173-L177 WeakPolarHBondContact O-CG 3.43Å; M173-L177 PolarHBondContact O-N 3.16Å; E174-L177 PolarHBondContact O-N 3.46Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.52Å; L177-V180 PolarHBondContact O-N 2.84Å; L177-Y181 WeakPolarHBondContact O-CB 3.48Å; L177-Y181 PolarHBondContact O-N 3.27Å; L177-L201 HydrophobicContact CD2-CD2 3.59Å; L177-R216 HydrophobicContact CB-CG 3.91Å; L177-I220 HydrophobicContact CB-CD1 4.23Å; L177-I220 HydrophobicContact CD2-CD1 3.81Å |
| 178 | E | 94.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 34 Ų | 34 | 27% | 0.271 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 172.8 | -67.4 | -180 | 173.9 | 0 | 0 | 111.5 | L140 E174 K175 G176 Y181 A182 R212 | L140-E178 HydrophobicContact CD2-CB 4.29Å; E174-E178 PolarHBondContact O-N 3.24Å; K175-E178 WeakPolarHBondContact O-CB 3.36Å; K175-E178 PolarHBondContact O-N 2.83Å; G176-E178 VanDerWaalsContact C-N 3.35Å; E178-Y181 PolarHBondContact O-N 3.3Å; E178-A182 PolarHBondContact O-N 3.07Å; E178-R212 IonicContact OE1-NH2 3.01Å |
| 179 | V | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 172.7 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | Y136 L139 L140 F143 K175 G176 A182 F183 | Y136-V179 HydrophobicContact CD1-CG2 4.46Å; Y136-V179 WeakPolarHBondContact O-CG2 3.28Å; L139-V179 HydrophobicContact CB-CG1 4.49Å; L139-V179 HydrophobicContact CB-CG2 4.43Å; L139-V179 HydrophobicContact CD2-CG1 3.62Å; L139-V179 HydrophobicContact CG-CG1 3.91Å; L140-V179 HydrophobicContact CB-CG2 4Å; F143-V179 HydrophobicContact CD2-CG1 4.11Å; F143-V179 HydrophobicContact CE2-CG1 3.58Å; K175-V179 WeakPolarHBondContact O-CG2 3.4Å; K175-V179 PolarHBondContact O-N 3.35Å; K175-V179 VanDerWaalsContact O-N 3.09Å; G176-V179 WeakPolarHBondContact O-CB 3.41Å; G176-V179 PolarHBondContact O-N 2.79Å; V179-A182 PolarHBondContact O-N 2.87Å; V179-F183 WeakPolarHBondContact O-CB 3.45Å; V179-F183 PolarHBondContact O-N 2.82Å |
| 180 | V | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -43 | 179.6 | 173 | 0 | 0 | 0 | 0 | 110.9 | V161 A164 V165 G176 L177 F183 V184 L197 I220 | V161-V180 HydrophobicContact CG1-CB 4.34Å; V161-V180 HydrophobicContact CG1-CG1 4.26Å; V161-V180 HydrophobicContact CG1-CG2 3.72Å; A164-V180 HydrophobicContact CB-CG2 4.21Å; V165-V180 HydrophobicContact CG2-CB 4.4Å; V165-V180 HydrophobicContact CG2-CG1 4.33Å; V165-V180 HydrophobicContact CG2-CG2 3.47Å; V165-V180 VanDerWaalsContact CG2-CG2 3.47Å; G176-V180 WeakPolarHBondContact O-CG2 3.46Å; G176-V180 PolarHBondContact O-N 3.47Å; L177-V180 PolarHBondContact O-N 2.84Å; V180-F183 WeakPolarHBondContact O-CB 3.5Å; V180-F183 PolarHBondContact O-N 2.93Å; V180-V184 HydrophobicContact CG1-CG2 4.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.49Å; V180-V184 PolarHBondContact O-N 3.12Å; V180-L197 HydrophobicContact CG1-CD1 3.76Å; V180-L197 HydrophobicContact CG1-CD2 3.7Å; V180-L197 HydrophobicContact CG1-CG 4.21Å; V180-L197 HydrophobicContact CG2-CD1 4.47Å; V180-I220 HydrophobicContact CB-CD1 4.2Å; V180-I220 HydrophobicContact CG1-CD1 3.96Å; V180-I220 HydrophobicContact CG1-CG2 3.96Å |
| 181 | Y | 94.4 | Very high | 90.6 | Very high | 75 Ų | 75 | 33.1 Ų | 33.1 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.3 | -51.6 | 175.4 | -175.7 | -79.2 | 0 | 0 | 0 | 110.6 | L177 E178 F183 V184 D185 E219 I220 L223 | L177-Y181 WeakPolarHBondContact O-CB 3.48Å; L177-Y181 PolarHBondContact O-N 3.27Å; E178-Y181 PolarHBondContact O-N 3.3Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 3.01Å; Y181-V184 PolarHBondContact O-N 3.17Å; Y181-D185 HydrophobicContact CE1-CB 4.46Å; Y181-D185 VanDerWaalsContact O-CB 3.28Å; Y181-D185 WeakPolarHBondContact O-CB 3.44Å; Y181-D185 PolarHBondContact O-N 2.84Å; Y181-E219 HydrophobicContact CE2-CB 4.29Å; Y181-I220 HydrophobicContact CD2-CG1 3.98Å; Y181-I220 HydrophobicContact CG-CG1 4.49Å; Y181-L223 HydrophobicContact CD2-CD2 4.16Å; Y181-L223 HydrophobicContact CE1-CD2 4.44Å; Y181-L223 HydrophobicContact CE2-CD2 4.05Å; Y181-L223 HydrophobicContact CG-CD2 4.42Å |
| 182 | A | 91 | Very high | 90.6 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L140 F143 E178 V179 D185 Q186 | L140-A182 HydrophobicContact CD1-CB 3.64Å; F143-A182 HydrophobicContact CB-CB 4.43Å; F143-A182 HydrophobicContact CD2-CB 4.44Å; E178-A182 PolarHBondContact O-N 3.07Å; V179-A182 PolarHBondContact O-N 2.87Å; A182-D185 PolarHBondContact O-N 3.06Å; A182-Q186 WeakPolarHBondContact O-CB 3.28Å; A182-Q186 WeakPolarHBondContact O-CG 3.15Å; A182-Q186 PolarHBondContact O-N 3.06Å |
| 183 | F | 92.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -48.3 | 176.6 | -172.7 | -87.6 | 0 | 0 | 0 | 112.3 | F143 F154 A158 V161 V179 V180 Y181 D185 Q186 A187 L189 L193 | F143-F183 HydrophobicContact CD2-CB 4.31Å; F143-F183 HydrophobicContact CE1-CD2 4.33Å; F143-F183 HydrophobicContact CE2-CB 3.9Å; F143-F183 AromaticContact CE2-CD2 3.76Å; F143-F183 HydrophobicContact CE2-CD2 3.76Å; F143-F183 HydrophobicContact CE2-CG 4.32Å; F143-F183 AromaticContact CZ-CD2 3.62Å; F143-F183 HydrophobicContact CZ-CD2 3.62Å; F143-F183 HydrophobicContact CZ-CE2 4.34Å; F154-F183 HydrophobicContact CB-CE2 3.91Å; F154-F183 AromaticContact CD1-CD2 3.87Å; F154-F183 HydrophobicContact CD1-CD2 3.87Å; F154-F183 HydrophobicContact CD1-CE2 4.05Å; F154-F183 HydrophobicContact CG-CE2 4.46Å; F154-F183 WeakPolarHBondContact O-CE2 3.44Å; A158-F183 HydrophobicContact CB-CE2 4.18Å; A158-F183 HydrophobicContact CB-CZ 3.83Å; V161-F183 HydrophobicContact CG1-CD1 4.39Å; V161-F183 HydrophobicContact CG2-CB 4.45Å; V161-F183 HydrophobicContact CG2-CD1 4.18Å; V161-F183 HydrophobicContact CG2-CD2 3.82Å; V161-F183 HydrophobicContact CG2-CE1 4.42Å; V161-F183 HydrophobicContact CG2-CE2 4.06Å; V161-F183 HydrophobicContact CG2-CG 3.88Å; V161-F183 HydrophobicContact CG2-CZ 4.36Å; V179-F183 WeakPolarHBondContact O-CB 3.45Å; V179-F183 PolarHBondContact O-N 2.82Å; V180-F183 WeakPolarHBondContact O-CB 3.5Å; V180-F183 PolarHBondContact O-N 2.93Å; Y181-F183 VanDerWaalsContact C-N 3.28Å; Y181-F183 PolarHBondContact O-N 3.01Å; F183-D185 VanDerWaalsContact C-N 3.29Å; F183-D185 PolarHBondContact O-N 3.39Å; F183-Q186 PolarHBondContact O-N 3.42Å; F183-A187 HydrophobicContact CD1-CB 4.12Å; F183-A187 HydrophobicContact CD2-CB 4.06Å; F183-A187 HydrophobicContact CE1-CB 3.95Å; F183-A187 HydrophobicContact CE2-CB 3.92Å; F183-A187 HydrophobicContact CG-CB 4.17Å; F183-A187 HydrophobicContact CZ-CB 3.85Å; F183-A187 WeakPolarHBondContact O-CA 3.47Å; F183-A187 WeakPolarHBondContact O-CB 3.28Å; F183-A187 PolarHBondContact O-N 2.84Å; F183-L189 HydrophobicContact CD1-CD1 4.41Å; F183-L189 HydrophobicContact CE1-CD1 4.03Å; F183-L193 HydrophobicContact CE1-CD2 3.71Å; F183-L193 HydrophobicContact CZ-CD2 4.09Å |
| 184 | V | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.8 | -33.3 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | V180 Y181 L189 L197 I220 L223 V227 | V180-V184 HydrophobicContact CG1-CG2 4.3Å; V180-V184 WeakPolarHBondContact O-CG2 3.49Å; V180-V184 PolarHBondContact O-N 3.12Å; Y181-V184 PolarHBondContact O-N 3.17Å; V184-L189 HydrophobicContact CG1-CD2 4.2Å; V184-L189 HydrophobicContact CG2-CD2 4.19Å; V184-L197 HydrophobicContact CG2-CD2 3.75Å; V184-I220 HydrophobicContact CG2-CG2 4.31Å; V184-L223 HydrophobicContact CB-CD2 3.94Å; V184-L223 HydrophobicContact CG1-CB 4.41Å; V184-L223 HydrophobicContact CG1-CD2 3.82Å; V184-L223 HydrophobicContact CG1-CG 3.84Å; V184-V227 HydrophobicContact CG1-CG2 4.12Å |
| 185 | D | 89.3 | Confident | 90.5 | Very high | 58 Ų | 58 | 40.9 Ų | 40.9 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 178.6 | -167.6 | 41.7 | 0 | 0 | 0 | 111.7 | Y181 A182 F183 L223 R341 | Y181-D185 HydrophobicContact CE1-CB 4.46Å; Y181-D185 VanDerWaalsContact O-CB 3.28Å; Y181-D185 WeakPolarHBondContact O-CB 3.44Å; Y181-D185 PolarHBondContact O-N 2.84Å; A182-D185 PolarHBondContact O-N 3.06Å; F183-D185 VanDerWaalsContact C-N 3.29Å; F183-D185 PolarHBondContact O-N 3.39Å; D185-L223 HydrophobicContact CB-CD2 3.93Å; D185-R341 VanDerWaalsContact O-CZ 3.28Å; D185-R341 PolarHBondContact O-NH1 3.49Å; D185-R341 PolarHBondContact O-NH2 2.84Å; D185-R341 IonicContact OD1-CZ 2.74Å; D185-R341 IonicContact OD1-NH2 3.54Å; D185-R341 PolarHBondContact OD1-NH2 2.69Å |
| 186 | Q | 86.8 | Confident | 90.5 | Very high | 61 Ų | 61 | 40.4 Ų | 40.4 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -106.4 | -24.8 | -168.6 | -61.7 | 172.2 | -4.2 | 0 | 0 | 114.5 | F143 E149 F154 A182 F183 | F143-Q186 PolarHBondContact O-OE1 3.31Å; E149-Q186 VanDerWaalsContact CA-O 3.24Å; E149-Q186 WeakPolarHBondContact CA-O 3.37Å; E149-Q186 WeakPolarHBondContact CG-O 3.23Å; F154-Q186 HydrophobicContact CE1-CB 4.04Å; F154-Q186 HydrophobicContact CE2-CB 4.44Å; F154-Q186 HydrophobicContact CZ-CB 3.61Å; A182-Q186 WeakPolarHBondContact O-CB 3.28Å; A182-Q186 WeakPolarHBondContact O-CG 3.15Å; A182-Q186 PolarHBondContact O-N 3.06Å; F183-Q186 PolarHBondContact O-N 3.42Å |
| 187 | A | 85.1 | Confident | 90.4 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -99.9 | 155.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F154 F183 L189 | F154-A187 HydrophobicContact CB-CB 3.76Å; F154-A187 HydrophobicContact CD1-CB 3.56Å; F154-A187 HydrophobicContact CD2-CB 4.12Å; F154-A187 HydrophobicContact CE1-CB 4.14Å; F154-A187 HydrophobicContact CG-CB 3.55Å; F183-A187 HydrophobicContact CD1-CB 4.12Å; F183-A187 HydrophobicContact CD2-CB 4.06Å; F183-A187 HydrophobicContact CE1-CB 3.95Å; F183-A187 HydrophobicContact CE2-CB 3.92Å; F183-A187 HydrophobicContact CG-CB 4.17Å; F183-A187 HydrophobicContact CZ-CB 3.85Å; F183-A187 WeakPolarHBondContact O-CA 3.47Å; F183-A187 WeakPolarHBondContact O-CB 3.28Å; F183-A187 PolarHBondContact O-N 2.84Å; A187-L189 PolarHBondContact O-N 2.73Å; A187-L189 VanDerWaalsContact O-N 3.16Å |
| 188 | S | 82.1 | Confident | 90.5 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 52% | 0.524 | 22% | 0.216 | S | C | . | . | trans | -69.6 | 107.8 | 166.7 | 53.9 | 0 | 0 | 0 | 0 | 111.4 | E149 S190 | E149-S188 PolarHBondContact O-N 3.25Å; S188-S190 PolarHBondContact O-N 3.08Å | ||
| 189 | L | 85.2 | Confident | 90.5 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.073 | 22% | 0.22 | C | C | . | . | trans | -83.6 | 117.5 | -177.5 | -169.5 | 62.9 | 0 | 0 | 0 | 111.5 | F183 V184 A187 L193 A194 K229 | F183-L189 HydrophobicContact CD1-CD1 4.41Å; F183-L189 HydrophobicContact CE1-CD1 4.03Å; V184-L189 HydrophobicContact CG1-CD2 4.2Å; V184-L189 HydrophobicContact CG2-CD2 4.19Å; A187-L189 PolarHBondContact O-N 2.73Å; A187-L189 VanDerWaalsContact O-N 3.16Å; L189-L193 HydrophobicContact CD1-CB 4.16Å; L189-L193 HydrophobicContact CD1-CD2 3.86Å; L189-L193 HydrophobicContact CD1-CG 3.87Å; L189-A194 HydrophobicContact CD2-CB 3.74Å; L189-A194 HydrophobicContact CG-CB 3.94Å; L189-K229 HydrophobicContact CD2-CG 4.19Å; L189-K229 WeakPolarHBondContact O-CE 3.41Å; L189-K229 PolarHBondContact O-NZ 2.85Å | ||
| 190 | S | 86.5 | Confident | 90.5 | Very high | 65 Ų | 65 | 40 Ų | 40 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | trans | -71.2 | 150.4 | 173.9 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | S188 K192 L193 A194 | S188-S190 PolarHBondContact O-N 3.08Å; S190-K192 VanDerWaalsContact C-N 3.28Å; S190-K192 PolarHBondContact O-N 3.31Å; S190-L193 PolarHBondContact O-N 3.39Å; S190-L193 VanDerWaalsContact OG-CB 3.29Å; S190-L193 WeakPolarHBondContact OG-CB 3.39Å; S190-L193 PolarHBondContact OG-N 3.36Å; S190-A194 WeakPolarHBondContact O-CB 3.22Å; S190-A194 PolarHBondContact O-N 2.97Å | ||
| 191 | N | 89 | Confident | 90.6 | Very high | 114 Ų | 114 | 40 Ų | 40 | 61% | 0.61 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.2 | -36 | -178.8 | -66.9 | -9.9 | 0 | 0 | 0 | 112.7 | S195 K229 | N191-S195 WeakPolarHBondContact O-CB 3.46Å; N191-S195 PolarHBondContact O-N 2.98Å; N191-K229 PolarHBondContact OD1-NZ 2.95Å |
| 192 | K | 89.7 | Confident | 90.7 | Very high | 168 Ų | 168 | 36.6 Ų | 36.6 | 73% | 0.73 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -66.4 | -47.2 | 177.1 | -174.7 | 176.6 | -179.5 | 178.9 | 0 | 111.4 | S190 S195 D196 | S190-K192 VanDerWaalsContact C-N 3.28Å; S190-K192 PolarHBondContact O-N 3.31Å; K192-S195 PolarHBondContact O-N 3.05Å; K192-D196 PolarHBondContact O-N 3Å |
| 193 | L | 89.2 | Confident | 90.7 | Very high | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.5 | -175.7 | 58.2 | 0 | 0 | 0 | 111.1 | A158 F183 L189 S190 S195 D196 L197 | A158-L193 HydrophobicContact CB-CD2 4.27Å; F183-L193 HydrophobicContact CE1-CD2 3.71Å; F183-L193 HydrophobicContact CZ-CD2 4.09Å; L189-L193 HydrophobicContact CD1-CB 4.16Å; L189-L193 HydrophobicContact CD1-CD2 3.86Å; L189-L193 HydrophobicContact CD1-CG 3.87Å; S190-L193 PolarHBondContact O-N 3.39Å; S190-L193 VanDerWaalsContact OG-CB 3.29Å; S190-L193 WeakPolarHBondContact OG-CB 3.39Å; S190-L193 PolarHBondContact OG-N 3.36Å; L193-S195 PolarHBondContact O-N 2.98Å; L193-D196 PolarHBondContact O-N 3.12Å; L193-L197 WeakPolarHBondContact O-CB 3.15Å; L193-L197 PolarHBondContact O-N 2.75Å |
| 194 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.6 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L189 S190 L197 C198 K229 A232 | L189-A194 HydrophobicContact CD2-CB 3.74Å; L189-A194 HydrophobicContact CG-CB 3.94Å; S190-A194 WeakPolarHBondContact O-CB 3.22Å; S190-A194 PolarHBondContact O-N 2.97Å; A194-L197 PolarHBondContact O-N 3.29Å; A194-C198 WeakPolarHBondContact O-CB 3.49Å; A194-C198 PolarHBondContact O-N 3.37Å; A194-C198 PolarHBondContact O-SG 3.44Å; A194-K229 HydrophobicContact CB-CB 4.15Å; A194-K229 HydrophobicContact CB-CD 4.42Å; A194-K229 HydrophobicContact CB-CG 4.14Å; A194-A232 HydrophobicContact CB-CB 3.92Å |
| 195 | S | 92.4 | Very high | 90.7 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | N191 K192 L193 L197 A199 | N191-S195 WeakPolarHBondContact O-CB 3.46Å; N191-S195 PolarHBondContact O-N 2.98Å; K192-S195 PolarHBondContact O-N 3.05Å; L193-S195 PolarHBondContact O-N 2.98Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 PolarHBondContact O-N 3.3Å; S195-A199 WeakPolarHBondContact O-CB 3.44Å; S195-A199 PolarHBondContact O-N 3.29Å |
| 196 | D | 92 | Very high | 90.7 | Very high | 54 Ų | 54 | 41.8 Ų | 41.8 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -40.4 | 178.9 | -83.8 | 15.3 | 0 | 0 | 0 | 112 | K162 K192 L193 A200 | K162-D196 HydrophobicContact CD-CB 4.2Å; K162-D196 IonicContact NZ-OD2 3.37Å; K162-D196 PolarHBondContact NZ-OD2 2.86Å; K192-D196 PolarHBondContact O-N 3Å; L193-D196 PolarHBondContact O-N 3.12Å; D196-A200 WeakPolarHBondContact O-CB 3.36Å; D196-A200 PolarHBondContact O-N 3.39Å; D196-A200 VanDerWaalsContact O-N 3.08Å |
| 197 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -49.3 | -179.3 | -173.1 | 69.1 | 0 | 0 | 0 | 111.6 | V161 V165 V180 V184 L193 A194 S195 A199 A200 L201 I220 | V161-L197 HydrophobicContact CG1-CD1 4.17Å; V165-L197 HydrophobicContact CG2-CD1 3.51Å; V180-L197 HydrophobicContact CG1-CD1 3.76Å; V180-L197 HydrophobicContact CG1-CD2 3.7Å; V180-L197 HydrophobicContact CG1-CG 4.21Å; V180-L197 HydrophobicContact CG2-CD1 4.47Å; V184-L197 HydrophobicContact CG2-CD2 3.75Å; L193-L197 WeakPolarHBondContact O-CB 3.15Å; L193-L197 PolarHBondContact O-N 2.75Å; A194-L197 PolarHBondContact O-N 3.29Å; S195-L197 VanDerWaalsContact C-N 3.31Å; S195-L197 PolarHBondContact O-N 3.3Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-A199 PolarHBondContact O-N 3.44Å; L197-A200 PolarHBondContact O-N 3.35Å; L197-L201 HydrophobicContact CG-CD1 4.01Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.33Å; L197-L201 PolarHBondContact O-N 2.9Å; L197-I220 HydrophobicContact CD2-CG2 4.48Å |
| 198 | C | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 179.2 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | A194 L201 V202 L221 A236 | A194-C198 WeakPolarHBondContact O-CB 3.49Å; A194-C198 PolarHBondContact O-N 3.37Å; A194-C198 PolarHBondContact O-SG 3.44Å; C198-L201 PolarHBondContact O-N 3.45Å; C198-V202 WeakPolarHBondContact O-CG2 3.42Å; C198-V202 PolarHBondContact O-N 3.48Å; C198-L221 HydrophobicContact CB-CD2 3.98Å; C198-A236 HydrophobicContact CB-CB 3.67Å |
| 199 | A | 95.2 | Very high | 91.2 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S195 L197 L201 V202 E203 | S195-A199 WeakPolarHBondContact O-CB 3.44Å; S195-A199 PolarHBondContact O-N 3.29Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-A199 PolarHBondContact O-N 3.44Å; A199-L201 PolarHBondContact O-N 3.44Å; A199-V202 PolarHBondContact O-N 3.05Å; A199-E203 VanDerWaalsContact O-CB 3.29Å; A199-E203 WeakPolarHBondContact O-CB 3.34Å; A199-E203 PolarHBondContact O-N 3.09Å |
| 200 | A | 93.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V165 L166 D196 L197 N204 | V165-A200 HydrophobicContact CG1-CB 4.1Å; L166-A200 HydrophobicContact CD2-CB 4.01Å; L166-A200 HydrophobicContact CG-CB 4.36Å; D196-A200 WeakPolarHBondContact O-CB 3.36Å; D196-A200 PolarHBondContact O-N 3.39Å; D196-A200 VanDerWaalsContact O-N 3.08Å; L197-A200 PolarHBondContact O-N 3.35Å; A200-N204 WeakPolarHBondContact O-CB 3.28Å; A200-N204 PolarHBondContact O-N 2.89Å; A200-N204 PolarHBondContact O-ND2 3.16Å |
| 201 | L | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -61.8 | -47 | 177.4 | -74 | 166.6 | 0 | 0 | 0 | 111.7 | V165 L177 L197 C198 A199 C205 L206 A217 I220 L221 | V165-L201 HydrophobicContact CG1-CD2 3.65Å; V165-L201 HydrophobicContact CG1-CG 3.96Å; V165-L201 HydrophobicContact CG2-CD2 4.48Å; L177-L201 HydrophobicContact CD2-CD2 3.59Å; L197-L201 HydrophobicContact CG-CD1 4.01Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 VanDerWaalsContact O-CG 3.29Å; L197-L201 WeakPolarHBondContact O-CG 3.33Å; L197-L201 PolarHBondContact O-N 2.9Å; C198-L201 PolarHBondContact O-N 3.45Å; A199-L201 PolarHBondContact O-N 3.44Å; L201-C205 HydrophobicContact CD2-CB 4.19Å; L201-C205 WeakPolarHBondContact O-CA 3.45Å; L201-C205 WeakPolarHBondContact O-CB 3.46Å; L201-C205 PolarHBondContact O-N 3.18Å; L201-L206 PolarHBondContact O-N 2.85Å; L201-A217 HydrophobicContact CD2-CB 3.87Å; L201-I220 HydrophobicContact CD1-CB 4.11Å; L201-I220 HydrophobicContact CD1-CG2 3.59Å; L201-I220 HydrophobicContact CD2-CD1 4.33Å; L201-L221 HydrophobicContact CB-CD2 4.32Å; L201-L221 HydrophobicContact CB-CG 4.46Å; L201-L221 HydrophobicContact CD1-CD2 4.05Å; L201-L221 HydrophobicContact CD1-CG 4.23Å |
| 202 | V | 95.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -66.3 | -43.1 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | C198 A199 L206 L221 A236 L237 I248 | C198-V202 WeakPolarHBondContact O-CG2 3.42Å; C198-V202 PolarHBondContact O-N 3.48Å; A199-V202 PolarHBondContact O-N 3.05Å; V202-L206 HydrophobicContact CB-CD1 4.28Å; V202-L206 HydrophobicContact CG1-CD1 4.34Å; V202-L206 HydrophobicContact CG2-CD1 4.03Å; V202-L221 HydrophobicContact CG2-CD1 4.05Å; V202-L221 HydrophobicContact CG2-CD2 4.49Å; V202-A236 HydrophobicContact CG2-CB 3.98Å; V202-L237 HydrophobicContact CG2-CD2 3.94Å; V202-L237 HydrophobicContact CG2-CG 4.41Å; V202-I248 HydrophobicContact CG1-CG2 4.19Å |
| 203 | E | 91.9 | Very high | 91.5 | Very high | 103 Ų | 103 | 48.2 Ų | 48.2 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -79.4 | -30.7 | -172 | -159.1 | 170.5 | -151 | 0 | 0 | 113.5 | A199 I207 I248 | A199-E203 VanDerWaalsContact O-CB 3.29Å; A199-E203 WeakPolarHBondContact O-CB 3.34Å; A199-E203 PolarHBondContact O-N 3.09Å; E203-I207 WeakPolarHBondContact O-CD1 3.45Å; E203-I248 HydrophobicContact CG-CD1 4.3Å |
| 204 | N | 90.7 | Very high | 91.6 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -119.2 | -37.8 | -173.1 | -58.2 | -76 | 0 | 0 | 0 | 114.4 | L166 A200 I207 | L166-N204 HydrophobicContact CD2-CB 4.4Å; L166-N204 VanDerWaalsContact CD2-ND2 3.29Å; L166-N204 WeakPolarHBondContact CD2-ND2 3.37Å; A200-N204 WeakPolarHBondContact O-CB 3.28Å; A200-N204 PolarHBondContact O-N 2.89Å; A200-N204 PolarHBondContact O-ND2 3.16Å; N204-I207 VanDerWaalsContact O-CG1 3.3Å; N204-I207 WeakPolarHBondContact O-CG1 3.08Å |
| 205 | C | 92 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -93 | -32.9 | -170.6 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | V165 L201 I207 A208 A217 | V165-C205 WeakPolarHBondContact CG1-SG 3.47Å; V165-C205 PolarHBondContact O-SG 2.84Å; V165-C205 VanDerWaalsContact O-SG 3.41Å; L201-C205 HydrophobicContact CD2-CB 4.19Å; L201-C205 WeakPolarHBondContact O-CA 3.45Å; L201-C205 WeakPolarHBondContact O-CB 3.46Å; L201-C205 PolarHBondContact O-N 3.18Å; C205-I207 PolarHBondContact O-N 3.13Å; C205-I207 VanDerWaalsContact O-N 3.1Å; C205-A208 VanDerWaalsContact O-CB 3.27Å; C205-A208 WeakPolarHBondContact O-CB 3.31Å; C205-A208 PolarHBondContact O-N 3.07Å; C205-A208 VanDerWaalsContact O-N 3.09Å; C205-A217 HydrophobicContact CB-CB 3.61Å |
| 206 | L | 90.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.1 | 174.3 | -69.7 | -174.5 | 0 | 0 | 0 | 113.3 | L201 V202 V214 A217 Q218 L221 | L201-L206 PolarHBondContact O-N 2.85Å; V202-L206 HydrophobicContact CB-CD1 4.28Å; V202-L206 HydrophobicContact CG1-CD1 4.34Å; V202-L206 HydrophobicContact CG2-CD1 4.03Å; L206-V214 HydrophobicContact CD2-CG1 4.4Å; L206-A217 HydrophobicContact CD2-CB 4.23Å; L206-Q218 HydrophobicContact CD2-CG 3.54Å; L206-L221 HydrophobicContact CD1-CD1 4.23Å; L206-L221 HydrophobicContact CD2-CD1 4.4Å |
| 207 | I | 89.5 | Confident | 91.9 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 10.2 | 177.2 | 62.5 | 168.6 | 0 | 0 | 0 | 113.5 | E203 N204 C205 K247 I248 | E203-I207 WeakPolarHBondContact O-CD1 3.45Å; N204-I207 VanDerWaalsContact O-CG1 3.3Å; N204-I207 WeakPolarHBondContact O-CG1 3.08Å; C205-I207 PolarHBondContact O-N 3.13Å; C205-I207 VanDerWaalsContact O-N 3.1Å; I207-K247 HydrophobicContact CB-CB 4.4Å; I207-K247 HydrophobicContact CG2-CB 3.69Å; I207-I248 HydrophobicContact CD1-CD1 4.41Å; I207-I248 HydrophobicContact CD1-CG1 4.23Å; I207-I248 HydrophobicContact CG2-CB 4.28Å; I207-I248 HydrophobicContact CG2-CG1 3.5Å; I207-I248 VanDerWaalsContact CG2-CG1 3.5Å |
| 208 | A | 89.1 | Confident | 91.9 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | trans | -59.8 | 142.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | M173 C205 R210 V214 | M173-A208 HydrophobicContact CE-CB 3.96Å; C205-A208 VanDerWaalsContact O-CB 3.27Å; C205-A208 WeakPolarHBondContact O-CB 3.31Å; C205-A208 PolarHBondContact O-N 3.07Å; C205-A208 VanDerWaalsContact O-N 3.09Å; A208-R210 VanDerWaalsContact C-N 3.25Å; A208-R210 PolarHBondContact O-N 3.4Å; A208-V214 HydrophobicContact CB-CG2 4.11Å; A208-V214 WeakPolarHBondContact O-CG2 3.35Å | ||
| 209 | P | 84.7 | Confident | 91.9 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -69.5 | -22.9 | -176.8 | 27 | -34.4 | 0 | 0 | 0 | 113.1 | I170 | I170-P209 HydrophobicContact CD1-CG 3.44Å; I170-P209 VanDerWaalsContact CD1-CG 3.44Å; I170-P209 HydrophobicContact CG1-CG 4.21Å |
| 210 | R | 88.7 | Confident | 91.9 | Very high | 112 Ų | 112 | 53.8 Ų | 53.8 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93 | 124.5 | 175.6 | -69 | -174.1 | -176.8 | 162.6 | 3.4 | 109.9 | I170 S171 E174 A208 R212 S213 V214 | I170-R210 HydrophobicContact CG2-CB 4.48Å; I170-R210 HydrophobicContact CG2-CG 4.05Å; S171-R210 PolarHBondContact OG-NH1 2.92Å; S171-R210 VanDerWaalsContact OG-NH1 3.14Å; E174-R210 WeakPolarHBondContact OE1-CD 3.37Å; E174-R210 IonicContact OE2-CZ 3.37Å; E174-R210 IonicContact OE2-NH1 3Å; E174-R210 PolarHBondContact OE2-NH1 3.14Å; A208-R210 VanDerWaalsContact C-N 3.25Å; A208-R210 PolarHBondContact O-N 3.4Å; R210-R212 VanDerWaalsContact C-N 3.25Å; R210-R212 PolarHBondContact O-N 3.04Å; R210-S213 WeakPolarHBondContact O-CB 3.02Å; R210-S213 PolarHBondContact O-N 3.08Å; R210-V214 PolarHBondContact O-N 3.42Å |
| 211 | R | 88.4 | Confident | 92.1 | Very high | 194 Ų | 194 | 53.5 Ų | 53.5 | 73% | 0.732 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -53.4 | -40.4 | 178 | -177.3 | 174.3 | 171.8 | 172.1 | 0.4 | 113 | S213 V214 E215 | R211-S213 VanDerWaalsContact C-N 3.28Å; R211-S213 PolarHBondContact O-N 3.23Å; R211-V214 PolarHBondContact O-N 3.33Å; R211-V214 VanDerWaalsContact O-N 3.12Å; R211-E215 HydrophobicContact CG-CG 4.26Å; R211-E215 IonicContact CZ-OE1 3.84Å; R211-E215 IonicContact NE-OE1 3.46Å; R211-E215 PolarHBondContact NE-OE1 3.48Å; R211-E215 IonicContact NH2-OE1 2.78Å; R211-E215 PolarHBondContact NH2-OE1 3.23Å; R211-E215 WeakPolarHBondContact O-CG 3.37Å; R211-E215 PolarHBondContact O-N 3.37Å |
| 212 | R | 88.1 | Confident | 92.1 | Very high | 159 Ų | 159 | 53.8 Ų | 53.8 | 60% | 0.6 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.8 | -37.3 | 178.4 | -171.7 | 176.6 | 179.7 | 169.1 | -3.7 | 113 | E178 R210 R216 | E178-R212 IonicContact OE1-NH2 3.01Å; R210-R212 VanDerWaalsContact C-N 3.25Å; R210-R212 PolarHBondContact O-N 3.04Å; R212-R216 WeakPolarHBondContact O-CB 3.35Å; R212-R216 PolarHBondContact O-N 3.05Å; R212-R216 VanDerWaalsContact O-N 3.08Å |
| 213 | S | 91.8 | Very high | 92 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -39.9 | 177.1 | -41.9 | 0 | 0 | 0 | 0 | 111.6 | E174 R210 R211 A217 | E174-S213 WeakPolarHBondContact CG-OG 3.3Å; E174-S213 PolarHBondContact OE1-OG 3.04Å; R210-S213 WeakPolarHBondContact O-CB 3.02Å; R210-S213 PolarHBondContact O-N 3.08Å; R211-S213 VanDerWaalsContact C-N 3.28Å; R211-S213 PolarHBondContact O-N 3.23Å; S213-A217 WeakPolarHBondContact O-CB 3.42Å; S213-A217 PolarHBondContact O-N 3.13Å |
| 214 | V | 92.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -47.6 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | L206 A208 R210 R211 R216 A217 Q218 | L206-V214 HydrophobicContact CD2-CG1 4.4Å; A208-V214 HydrophobicContact CB-CG2 4.11Å; A208-V214 WeakPolarHBondContact O-CG2 3.35Å; R210-V214 PolarHBondContact O-N 3.42Å; R211-V214 PolarHBondContact O-N 3.33Å; R211-V214 VanDerWaalsContact O-N 3.12Å; V214-R216 PolarHBondContact O-N 3.49Å; V214-A217 PolarHBondContact O-N 3.4Å; V214-Q218 WeakPolarHBondContact O-CG 3.41Å; V214-Q218 PolarHBondContact O-N 3.12Å |
| 215 | E | 92.7 | Very high | 92.3 | Very high | 82 Ų | 82 | 45.5 Ų | 45.5 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 178.7 | -73.1 | 171.9 | 167.5 | 0 | 0 | 111.3 | R211 A217 Q218 E219 | R211-E215 HydrophobicContact CG-CG 4.26Å; R211-E215 IonicContact CZ-OE1 3.84Å; R211-E215 IonicContact NE-OE1 3.46Å; R211-E215 PolarHBondContact NE-OE1 3.48Å; R211-E215 IonicContact NH2-OE1 2.78Å; R211-E215 PolarHBondContact NH2-OE1 3.23Å; R211-E215 WeakPolarHBondContact O-CG 3.37Å; R211-E215 PolarHBondContact O-N 3.37Å; E215-A217 PolarHBondContact O-N 3.41Å; E215-Q218 PolarHBondContact O-N 3.22Å; E215-E219 PolarHBondContact O-N 3.3Å |
| 216 | R | 94.1 | Very high | 92.2 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.5 | -170.9 | 64.3 | 71.9 | -174.1 | 11.8 | 112.2 | L177 R212 V214 Q218 E219 I220 | L177-R216 HydrophobicContact CB-CG 3.91Å; R212-R216 WeakPolarHBondContact O-CB 3.35Å; R212-R216 PolarHBondContact O-N 3.05Å; R212-R216 VanDerWaalsContact O-N 3.08Å; V214-R216 PolarHBondContact O-N 3.49Å; R216-Q218 VanDerWaalsContact C-N 3.34Å; R216-E219 IonicContact CZ-OE2 2.74Å; R216-E219 IonicContact NE-OE2 2.64Å; R216-E219 IonicContact NH1-OE2 3.75Å; R216-E219 PolarHBondContact NH1-OE2 3.18Å; R216-E219 PolarHBondContact O-N 2.63Å; R216-I220 HydrophobicContact CG-CD1 4.22Å; R216-I220 VanDerWaalsContact O-CG1 3.27Å; R216-I220 WeakPolarHBondContact O-CG1 3.49Å; R216-I220 PolarHBondContact O-N 3.08Å |
| 217 | A | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L201 C205 L206 S213 V214 E215 I220 L221 | L201-A217 HydrophobicContact CD2-CB 3.87Å; C205-A217 HydrophobicContact CB-CB 3.61Å; L206-A217 HydrophobicContact CD2-CB 4.23Å; S213-A217 WeakPolarHBondContact O-CB 3.42Å; S213-A217 PolarHBondContact O-N 3.13Å; V214-A217 PolarHBondContact O-N 3.4Å; E215-A217 PolarHBondContact O-N 3.41Å; A217-I220 PolarHBondContact O-N 2.98Å; A217-L221 WeakPolarHBondContact O-CG 3.44Å; A217-L221 PolarHBondContact O-N 2.94Å; A217-L221 VanDerWaalsContact O-N 3.12Å |
| 218 | Q | 94.4 | Very high | 92.3 | Very high | 38 Ų | 38 | 49 Ų | 49 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 172.7 | -72.9 | -176 | -36.1 | 0 | 0 | 111.3 | L206 V214 E215 R216 I220 L221 L222 T255 | L206-Q218 HydrophobicContact CD2-CG 3.54Å; V214-Q218 WeakPolarHBondContact O-CG 3.41Å; V214-Q218 PolarHBondContact O-N 3.12Å; E215-Q218 PolarHBondContact O-N 3.22Å; R216-Q218 VanDerWaalsContact C-N 3.34Å; Q218-I220 VanDerWaalsContact C-N 3.3Å; Q218-I220 PolarHBondContact O-N 3.5Å; Q218-L221 WeakPolarHBondContact O-CB 3.4Å; Q218-L221 PolarHBondContact O-N 3.33Å; Q218-L221 VanDerWaalsContact O-N 3.09Å; Q218-L222 WeakPolarHBondContact O-CD1 3.16Å; Q218-L222 PolarHBondContact O-N 3.32Å; Q218-T255 HydrophobicContact CG-CG2 4.28Å; Q218-T255 PolarHBondContact NE2-OG1 2.89Å |
| 219 | E | 95 | Very high | 92.5 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -39.2 | 177 | -77 | -170.2 | 153.6 | 0 | 0 | 113 | Y181 E215 R216 L221 L222 L223 | Y181-E219 HydrophobicContact CE2-CB 4.29Å; E215-E219 PolarHBondContact O-N 3.3Å; R216-E219 IonicContact CZ-OE2 2.74Å; R216-E219 IonicContact NE-OE2 2.64Å; R216-E219 IonicContact NH1-OE2 3.75Å; R216-E219 PolarHBondContact NH1-OE2 3.18Å; R216-E219 PolarHBondContact O-N 2.63Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L222 PolarHBondContact O-N 2.98Å; E219-L223 WeakPolarHBondContact O-CB 3.28Å; E219-L223 PolarHBondContact O-N 3.19Å |
| 220 | I | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 175.8 | -65 | 161.1 | 0 | 0 | 0 | 110.8 | L177 V180 Y181 V184 L197 L201 R216 A217 Q218 L223 C224 | L177-I220 HydrophobicContact CB-CD1 4.23Å; L177-I220 HydrophobicContact CD2-CD1 3.81Å; V180-I220 HydrophobicContact CB-CD1 4.2Å; V180-I220 HydrophobicContact CG1-CD1 3.96Å; V180-I220 HydrophobicContact CG1-CG2 3.96Å; Y181-I220 HydrophobicContact CD2-CG1 3.98Å; Y181-I220 HydrophobicContact CG-CG1 4.49Å; V184-I220 HydrophobicContact CG2-CG2 4.31Å; L197-I220 HydrophobicContact CD2-CG2 4.48Å; L201-I220 HydrophobicContact CD1-CB 4.11Å; L201-I220 HydrophobicContact CD1-CG2 3.59Å; L201-I220 HydrophobicContact CD2-CD1 4.33Å; R216-I220 HydrophobicContact CG-CD1 4.22Å; R216-I220 VanDerWaalsContact O-CG1 3.27Å; R216-I220 WeakPolarHBondContact O-CG1 3.49Å; R216-I220 PolarHBondContact O-N 3.08Å; A217-I220 PolarHBondContact O-N 2.98Å; Q218-I220 VanDerWaalsContact C-N 3.3Å; Q218-I220 PolarHBondContact O-N 3.5Å; I220-L223 PolarHBondContact O-N 3.2Å; I220-C224 PolarHBondContact O-N 3.26Å; I220-C224 PolarHBondContact O-SG 3.36Å; I220-C224 VanDerWaalsContact O-SG 3.37Å |
| 221 | L | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 175.8 | -69.8 | 169.6 | 0 | 0 | 0 | 111.7 | C198 L201 V202 L206 A217 Q218 E219 C224 V225 V233 T255 | C198-L221 HydrophobicContact CB-CD2 3.98Å; L201-L221 HydrophobicContact CB-CD2 4.32Å; L201-L221 HydrophobicContact CB-CG 4.46Å; L201-L221 HydrophobicContact CD1-CD2 4.05Å; L201-L221 HydrophobicContact CD1-CG 4.23Å; V202-L221 HydrophobicContact CG2-CD1 4.05Å; V202-L221 HydrophobicContact CG2-CD2 4.49Å; L206-L221 HydrophobicContact CD1-CD1 4.23Å; L206-L221 HydrophobicContact CD2-CD1 4.4Å; A217-L221 WeakPolarHBondContact O-CG 3.44Å; A217-L221 PolarHBondContact O-N 2.94Å; A217-L221 VanDerWaalsContact O-N 3.12Å; Q218-L221 WeakPolarHBondContact O-CB 3.4Å; Q218-L221 PolarHBondContact O-N 3.33Å; Q218-L221 VanDerWaalsContact O-N 3.09Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-C224 WeakPolarHBondContact O-CB 3.36Å; L221-C224 PolarHBondContact O-N 3.12Å; L221-V225 PolarHBondContact O-N 2.98Å; L221-V233 HydrophobicContact CB-CG1 4.43Å; L221-V233 HydrophobicContact CD2-CG1 4.4Å; L221-V233 HydrophobicContact CD2-CG2 4.44Å; L221-T255 HydrophobicContact CB-CG2 4.39Å; L221-T255 HydrophobicContact CD1-CG2 3.87Å |
| 222 | L | 96 | Very high | 93.3 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 172.6 | -85.2 | 80.7 | 0 | 0 | 0 | 111.3 | Q218 E219 C224 V225 E226 T258 I259 D262 F263 | Q218-L222 WeakPolarHBondContact O-CD1 3.16Å; Q218-L222 PolarHBondContact O-N 3.32Å; E219-L222 PolarHBondContact O-N 2.98Å; L222-C224 VanDerWaalsContact C-N 3.3Å; L222-C224 PolarHBondContact O-N 2.99Å; L222-V225 WeakPolarHBondContact O-CA 3.3Å; L222-V225 WeakPolarHBondContact O-CB 3.12Å; L222-V225 PolarHBondContact O-N 3.13Å; L222-E226 PolarHBondContact O-N 3.45Å; L222-T258 HydrophobicContact CD1-CG2 4.18Å; L222-T258 HydrophobicContact CD2-CG2 4.06Å; L222-I259 HydrophobicContact CD1-CG1 4.15Å; L222-I259 HydrophobicContact CG-CG1 4.23Å; L222-D262 WeakPolarHBondContact CD2-OD2 3.45Å; L222-F263 HydrophobicContact CB-CE2 4.23Å; L222-F263 HydrophobicContact CD2-CE2 4.32Å; L222-F263 HydrophobicContact CG-CE2 4.12Å |
| 223 | L | 94.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 177.5 | -174.5 | 65.9 | 0 | 0 | 0 | 111.5 | Y181 V184 D185 E219 I220 V225 E226 V227 | Y181-L223 HydrophobicContact CD2-CD2 4.16Å; Y181-L223 HydrophobicContact CE1-CD2 4.44Å; Y181-L223 HydrophobicContact CE2-CD2 4.05Å; Y181-L223 HydrophobicContact CG-CD2 4.42Å; V184-L223 HydrophobicContact CB-CD2 3.94Å; V184-L223 HydrophobicContact CG1-CB 4.41Å; V184-L223 HydrophobicContact CG1-CD2 3.82Å; V184-L223 HydrophobicContact CG1-CG 3.84Å; D185-L223 HydrophobicContact CB-CD2 3.93Å; E219-L223 WeakPolarHBondContact O-CB 3.28Å; E219-L223 PolarHBondContact O-N 3.19Å; I220-L223 PolarHBondContact O-N 3.2Å; L223-V225 VanDerWaalsContact C-N 3.25Å; L223-V225 PolarHBondContact O-N 2.86Å; L223-E226 WeakPolarHBondContact O-CB 3.15Å; L223-E226 PolarHBondContact O-N 2.96Å; L223-E226 VanDerWaalsContact O-N 3.11Å; L223-V227 WeakPolarHBondContact O-CG2 3.49Å; L223-V227 PolarHBondContact O-N 3.47Å |
| 224 | C | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.4 | -36.1 | 170.8 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | I220 L221 L222 V227 K229 V233 | I220-C224 PolarHBondContact O-N 3.26Å; I220-C224 PolarHBondContact O-SG 3.36Å; I220-C224 VanDerWaalsContact O-SG 3.37Å; L221-C224 WeakPolarHBondContact O-CB 3.36Å; L221-C224 PolarHBondContact O-N 3.12Å; L222-C224 VanDerWaalsContact C-N 3.3Å; L222-C224 PolarHBondContact O-N 2.99Å; C224-V227 WeakPolarHBondContact O-CG2 3.29Å; C224-K229 HydrophobicContact CB-CB 4.43Å; C224-K229 WeakPolarHBondContact O-CA 3.45Å; C224-K229 VanDerWaalsContact O-CB 3.3Å; C224-K229 WeakPolarHBondContact O-CB 3.47Å; C224-K229 PolarHBondContact O-N 3.4Å; C224-V233 HydrophobicContact CB-CG2 3.5Å |
| 225 | V | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 172.2 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | L221 L222 L223 V227 E228 Q230 V233 I259 F263 F268 L340 | L221-V225 PolarHBondContact O-N 2.98Å; L222-V225 WeakPolarHBondContact O-CA 3.3Å; L222-V225 WeakPolarHBondContact O-CB 3.12Å; L222-V225 PolarHBondContact O-N 3.13Å; L223-V225 VanDerWaalsContact C-N 3.25Å; L223-V225 PolarHBondContact O-N 2.86Å; V225-V227 VanDerWaalsContact C-N 3.27Å; V225-V227 PolarHBondContact O-N 3.42Å; V225-E228 PolarHBondContact O-N 3.41Å; V225-Q230 HydrophobicContact CG1-CB 4.26Å; V225-Q230 HydrophobicContact CG2-CB 4.45Å; V225-V233 HydrophobicContact CG2-CB 4.18Å; V225-V233 HydrophobicContact CG2-CG1 4.06Å; V225-V233 HydrophobicContact CG2-CG2 4.07Å; V225-I259 HydrophobicContact CG2-CD1 4.41Å; V225-I259 HydrophobicContact CG2-CG2 4.12Å; V225-F263 HydrophobicContact CB-CD2 4.2Å; V225-F263 HydrophobicContact CB-CE1 4.4Å; V225-F263 HydrophobicContact CB-CE2 4.01Å; V225-F263 HydrophobicContact CB-CG 4.49Å; V225-F263 HydrophobicContact CB-CZ 4.13Å; V225-F263 HydrophobicContact CG1-CB 4.23Å; V225-F263 HydrophobicContact CG1-CD1 3.7Å; V225-F263 HydrophobicContact CG1-CD2 3.71Å; V225-F263 HydrophobicContact CG1-CE1 3.97Å; V225-F263 HydrophobicContact CG1-CE2 3.97Å; V225-F263 HydrophobicContact CG1-CG 3.57Å; V225-F263 HydrophobicContact CG1-CZ 4.11Å; V225-F268 HydrophobicContact CG2-CD2 4.19Å; V225-F268 HydrophobicContact CG2-CE2 4.26Å; V225-L340 HydrophobicContact CG1-CD2 4.3Å; V225-L340 WeakPolarHBondContact O-CD2 3.21Å |
| 226 | E | 91.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.2 | -37.2 | 177.8 | -66.4 | -177.3 | -168 | 0 | 0 | 113.4 | L222 L223 E228 F263 R338 R341 | L222-E226 PolarHBondContact O-N 3.45Å; L223-E226 WeakPolarHBondContact O-CB 3.15Å; L223-E226 PolarHBondContact O-N 2.96Å; L223-E226 VanDerWaalsContact O-N 3.11Å; E226-E228 PolarHBondContact O-N 3.3Å; E226-F263 HydrophobicContact CB-CE1 4.46Å; E226-F263 HydrophobicContact CG-CE1 3.52Å; E226-F263 HydrophobicContact CG-CZ 3.42Å; E226-F263 VanDerWaalsContact CG-CZ 3.42Å; E226-R338 WeakPolarHBondContact OE1-CD 3.42Å; E226-R338 IonicContact OE1-CZ 2.72Å; E226-R338 IonicContact OE1-NE 2.94Å; E226-R338 IonicContact OE1-NH1 3.02Å; E226-R338 PolarHBondContact OE1-NH1 2.81Å; E226-R341 PolarHBondContact O-N 2.92Å |
| 227 | V | 90.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 15% | 0.152 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 21 | 177.2 | -53.9 | 0 | 0 | 0 | 0 | 113.5 | V184 L223 C224 V225 K229 R341 | V184-V227 HydrophobicContact CG1-CG2 4.12Å; L223-V227 WeakPolarHBondContact O-CG2 3.49Å; L223-V227 PolarHBondContact O-N 3.47Å; C224-V227 WeakPolarHBondContact O-CG2 3.29Å; V225-V227 VanDerWaalsContact C-N 3.27Å; V225-V227 PolarHBondContact O-N 3.42Å; V227-K229 HydrophobicContact CG2-CG 4.1Å; V227-K229 PolarHBondContact O-N 3.2Å; V227-R341 VanDerWaalsContact CG1-CZ 3.47Å |
| 228 | E | 91 | Very high | 94.5 | Very high | 93 Ų | 93 | 32.6 Ų | 32.6 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 32.6 | 173.3 | -56.8 | 176.9 | -167.6 | 0 | 0 | 115.2 | V225 E226 Q230 S342 | V225-E228 PolarHBondContact O-N 3.41Å; E226-E228 PolarHBondContact O-N 3.3Å; E228-Q230 PolarHBondContact O-OE1 3.43Å; E228-S342 WeakPolarHBondContact OE1-CB 3.31Å; E228-S342 PolarHBondContact OE1-OG 3.49Å |
| 229 | K | 93.6 | Very high | 94.5 | Very high | 45 Ų | 45 | 33.6 Ų | 33.6 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | trans | -106.2 | 30.8 | 172.7 | -54 | -58.8 | 179.7 | -178.6 | 0 | 112.6 | L189 N191 A194 C224 V227 E231 A232 V233 | L189-K229 HydrophobicContact CD2-CG 4.19Å; L189-K229 WeakPolarHBondContact O-CE 3.41Å; L189-K229 PolarHBondContact O-NZ 2.85Å; N191-K229 PolarHBondContact OD1-NZ 2.95Å; A194-K229 HydrophobicContact CB-CB 4.15Å; A194-K229 HydrophobicContact CB-CD 4.42Å; A194-K229 HydrophobicContact CB-CG 4.14Å; C224-K229 HydrophobicContact CB-CB 4.43Å; C224-K229 WeakPolarHBondContact O-CA 3.45Å; C224-K229 VanDerWaalsContact O-CB 3.3Å; C224-K229 WeakPolarHBondContact O-CB 3.47Å; C224-K229 PolarHBondContact O-N 3.4Å; V227-K229 HydrophobicContact CG2-CG 4.1Å; V227-K229 PolarHBondContact O-N 3.2Å; K229-E231 PolarHBondContact O-N 3.35Å; K229-E231 VanDerWaalsContact O-N 3.17Å; K229-A232 PolarHBondContact O-N 3.48Å; K229-A232 VanDerWaalsContact O-N 3.13Å; K229-V233 PolarHBondContact O-N 3.27Å | ||
| 230 | Q | 92.5 | Very high | 94.6 | Very high | 55 Ų | 55 | 30.1 Ų | 30.1 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56 | -31.8 | -178.8 | 60.4 | -83.6 | 8.1 | 0 | 0 | 114.3 | V225 E228 V233 S234 F268 | V225-Q230 HydrophobicContact CG1-CB 4.26Å; V225-Q230 HydrophobicContact CG2-CB 4.45Å; E228-Q230 PolarHBondContact O-OE1 3.43Å; Q230-V233 PolarHBondContact O-N 2.89Å; Q230-S234 WeakPolarHBondContact O-CB 3.48Å; Q230-S234 PolarHBondContact O-N 3.3Å; Q230-F268 HydrophobicContact CB-CD2 3.93Å; Q230-F268 HydrophobicContact CB-CE2 4.37Å |
| 231 | E | 92.8 | Very high | 94.5 | Very high | 154 Ų | 154 | 30.7 Ų | 30.7 | 72% | 0.72 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -66.4 | -40.8 | 178.1 | -72.3 | -163.3 | 161 | 0 | 0 | 112.3 | K229 V233 S234 N235 | K229-E231 PolarHBondContact O-N 3.35Å; K229-E231 VanDerWaalsContact O-N 3.17Å; E231-V233 VanDerWaalsContact C-N 3.35Å; E231-S234 PolarHBondContact O-N 2.88Å; E231-N235 WeakPolarHBondContact O-CB 3.49Å; E231-N235 PolarHBondContact O-N 3.31Å; E231-N235 PolarHBondContact O-ND2 2.96Å |
| 232 | A | 93.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A194 K229 A236 | A194-A232 HydrophobicContact CB-CB 3.92Å; K229-A232 PolarHBondContact O-N 3.48Å; K229-A232 VanDerWaalsContact O-N 3.13Å; A232-A236 WeakPolarHBondContact O-CB 3.44Å; A232-A236 PolarHBondContact O-N 2.98Å; A232-A236 VanDerWaalsContact O-N 3.11Å |
| 233 | V | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | L221 C224 V225 K229 Q230 E231 A236 L237 I259 F268 | L221-V233 HydrophobicContact CB-CG1 4.43Å; L221-V233 HydrophobicContact CD2-CG1 4.4Å; L221-V233 HydrophobicContact CD2-CG2 4.44Å; C224-V233 HydrophobicContact CB-CG2 3.5Å; V225-V233 HydrophobicContact CG2-CB 4.18Å; V225-V233 HydrophobicContact CG2-CG1 4.06Å; V225-V233 HydrophobicContact CG2-CG2 4.07Å; K229-V233 PolarHBondContact O-N 3.27Å; Q230-V233 PolarHBondContact O-N 2.89Å; E231-V233 VanDerWaalsContact C-N 3.35Å; V233-A236 PolarHBondContact O-N 2.72Å; V233-L237 HydrophobicContact CG1-CD1 3.71Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 WeakPolarHBondContact O-CG 3.45Å; V233-L237 PolarHBondContact O-N 2.97Å; V233-I259 HydrophobicContact CG1-CD1 3.64Å; V233-F268 HydrophobicContact CB-CE2 4.31Å; V233-F268 HydrophobicContact CG1-CE2 4.07Å; V233-F268 HydrophobicContact CG1-CZ 4.38Å |
| 234 | S | 95.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -49.1 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | Q230 E231 A236 L237 V238 F273 | Q230-S234 WeakPolarHBondContact O-CB 3.48Å; Q230-S234 PolarHBondContact O-N 3.3Å; E231-S234 PolarHBondContact O-N 2.88Å; S234-A236 PolarHBondContact O-N 2.68Å; S234-L237 PolarHBondContact O-N 2.68Å; S234-V238 WeakPolarHBondContact O-CB 3.36Å; S234-V238 VanDerWaalsContact O-CG2 3.28Å; S234-V238 WeakPolarHBondContact O-CG2 3.31Å; S234-V238 PolarHBondContact O-N 3Å; S234-F273 WeakPolarHBondContact OG-CE2 3.39Å |
| 235 | N | 95.8 | Very high | 94 | Very high | 105 Ų | 105 | 53.6 Ų | 53.6 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 179.2 | -69.6 | -22.9 | 0 | 0 | 0 | 112.4 | E231 A239 | E231-N235 WeakPolarHBondContact O-CB 3.49Å; E231-N235 PolarHBondContact O-N 3.31Å; E231-N235 PolarHBondContact O-ND2 2.96Å; N235-A239 PolarHBondContact O-N 3.21Å; N235-A239 VanDerWaalsContact O-N 3.13Å |
| 236 | A | 96.5 | Very high | 93.9 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C198 V202 A232 V233 S234 A239 G240 | C198-A236 HydrophobicContact CB-CB 3.67Å; V202-A236 HydrophobicContact CG2-CB 3.98Å; A232-A236 WeakPolarHBondContact O-CB 3.44Å; A232-A236 PolarHBondContact O-N 2.98Å; A232-A236 VanDerWaalsContact O-N 3.11Å; V233-A236 PolarHBondContact O-N 2.72Å; S234-A236 PolarHBondContact O-N 2.68Å; A236-A239 PolarHBondContact O-N 3.42Å; A236-G240 PolarHBondContact O-N 3.48Å |
| 237 | L | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.9 | -38.6 | 178.8 | -71.5 | 170.7 | 0 | 0 | 0 | 112.4 | V202 V233 S234 A239 G240 L241 T255 I259 F268 F273 | V202-L237 HydrophobicContact CG2-CD2 3.94Å; V202-L237 HydrophobicContact CG2-CG 4.41Å; V233-L237 HydrophobicContact CG1-CD1 3.71Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CB 3.37Å; V233-L237 WeakPolarHBondContact O-CG 3.45Å; V233-L237 PolarHBondContact O-N 2.97Å; S234-L237 PolarHBondContact O-N 2.68Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 3.42Å; L237-G240 CarbonylContact O-C 3.51Å; L237-G240 WeakPolarHBondContact O-CA 3.33Å; L237-G240 PolarHBondContact O-N 3.02Å; L237-G240 VanDerWaalsContact O-N 3.13Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.35Å; L237-L241 PolarHBondContact O-N 3.4Å; L237-T255 HydrophobicContact CD1-CG2 4.37Å; L237-T255 HydrophobicContact CD2-CG2 4.08Å; L237-I259 HydrophobicContact CD1-CD1 3.57Å; L237-F268 HydrophobicContact CD1-CZ 4.24Å; L237-F273 HydrophobicContact CB-CE1 3.9Å; L237-F273 HydrophobicContact CB-CZ 4.22Å |
| 238 | V | 96.5 | Very high | 94.1 | Very high | 28 Ų | 28 | 61.3 Ų | 61.3 | 17% | 0.17 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 173.4 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | S234 G240 L241 Q242 P272 F273 L276 | S234-V238 WeakPolarHBondContact O-CB 3.36Å; S234-V238 VanDerWaalsContact O-CG2 3.28Å; S234-V238 WeakPolarHBondContact O-CG2 3.31Å; S234-V238 PolarHBondContact O-N 3Å; V238-G240 VanDerWaalsContact C-N 3.32Å; V238-G240 PolarHBondContact O-N 3.46Å; V238-L241 PolarHBondContact O-N 3.47Å; V238-Q242 PolarHBondContact O-N 3.45Å; V238-P272 HydrophobicContact CG2-CB 3.72Å; V238-F273 HydrophobicContact CG2-CD1 4.24Å; V238-F273 HydrophobicContact CG2-CE1 3.82Å; V238-F273 HydrophobicContact CG2-CE2 4.37Å; V238-F273 HydrophobicContact CG2-CZ 3.9Å; V238-L276 HydrophobicContact CG1-CD1 4.23Å |
| 239 | A | 95.5 | Very high | 94.3 | Very high | 59 Ų | 59 | 57 Ų | 57 | 49% | 0.488 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N235 A236 L237 Q242 N243 | N235-A239 PolarHBondContact O-N 3.21Å; N235-A239 VanDerWaalsContact O-N 3.13Å; A236-A239 PolarHBondContact O-N 3.42Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-A239 PolarHBondContact O-N 3.42Å; A239-Q242 PolarHBondContact O-N 3.11Å; A239-N243 PolarHBondContact O-N 3.44Å |
| 240 | G | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A236 L237 V238 Q242 N243 S252 | A236-G240 PolarHBondContact O-N 3.48Å; L237-G240 CarbonylContact O-C 3.51Å; L237-G240 WeakPolarHBondContact O-CA 3.33Å; L237-G240 PolarHBondContact O-N 3.02Å; L237-G240 VanDerWaalsContact O-N 3.13Å; V238-G240 VanDerWaalsContact C-N 3.32Å; V238-G240 PolarHBondContact O-N 3.46Å; G240-Q242 VanDerWaalsContact C-N 3.25Å; G240-Q242 PolarHBondContact O-N 3.04Å; G240-N243 VanDerWaalsContact O-CB 3.22Å; G240-N243 WeakPolarHBondContact O-CB 3.35Å; G240-N243 PolarHBondContact O-N 3.07Å; G240-N243 VanDerWaalsContact O-N 3.17Å; G240-S252 WeakPolarHBondContact CA-OG 3.35Å |
| 241 | L | 95.9 | Very high | 94.4 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -25.3 | 177 | -70 | 173.9 | 0 | 0 | 0 | 113.5 | L237 V238 V253 F273 L276 L280 | L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.35Å; L237-L241 PolarHBondContact O-N 3.4Å; V238-L241 PolarHBondContact O-N 3.47Å; L241-V253 HydrophobicContact CD2-CB 4.1Å; L241-V253 HydrophobicContact CD2-CG2 3.22Å; L241-F273 HydrophobicContact CD1-CD1 3.49Å; L241-F273 VanDerWaalsContact CD1-CD1 3.49Å; L241-F273 HydrophobicContact CD1-CE1 3.91Å; L241-L276 HydrophobicContact CB-CD1 3.86Å; L241-L276 HydrophobicContact CD1-CD1 4.09Å; L241-L280 HydrophobicContact CD1-CD1 4.34Å; L241-L280 HydrophobicContact CD2-CD1 3.98Å; L241-L280 HydrophobicContact CD2-CD2 4.21Å |
| 242 | Q | 94.2 | Very high | 94.6 | Very high | 129 Ų | 129 | 45.8 Ų | 45.8 | 60% | 0.603 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3 | 176.4 | -65.5 | -178.8 | -29 | 0 | 0 | 113.1 | V238 A239 G240 L276 | V238-Q242 PolarHBondContact O-N 3.45Å; A239-Q242 PolarHBondContact O-N 3.11Å; G240-Q242 VanDerWaalsContact C-N 3.25Å; G240-Q242 PolarHBondContact O-N 3.04Å; Q242-L276 HydrophobicContact CG-CD1 4.05Å; Q242-L276 HydrophobicContact CG-CD2 3.97Å; Q242-L276 VanDerWaalsContact NE2-CD2 3.34Å |
| 243 | N | 94.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 23% | 0.225 | 23% | 0.233 | C | C | . | . | trans | -69.9 | 148.7 | -174.6 | -159.6 | -67 | 0 | 0 | 0 | 111.9 | A239 G240 K245 I248 V249 | A239-N243 PolarHBondContact O-N 3.44Å; G240-N243 VanDerWaalsContact O-CB 3.22Å; G240-N243 WeakPolarHBondContact O-CB 3.35Å; G240-N243 PolarHBondContact O-N 3.07Å; G240-N243 VanDerWaalsContact O-N 3.17Å; N243-K245 VanDerWaalsContact C-N 3.27Å; N243-K245 PolarHBondContact O-N 2.96Å; N243-K245 PolarHBondContact OD1-N 3.28Å; N243-I248 HydrophobicContact CB-CB 4.11Å; N243-I248 HydrophobicContact CB-CG2 3.84Å; N243-V249 HydrophobicContact CB-CG2 4.4Å; N243-V249 VanDerWaalsContact O-CG2 3.23Å; N243-V249 WeakPolarHBondContact O-CG2 3.31Å | ||
| 244 | K | 91.1 | Very high | 94.6 | Very high | 195 Ų | 195 | 47.2 Ų | 47.2 | 85% | 0.848 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -70 | -22.9 | 177.7 | -64.6 | -176.1 | -179.8 | -179.7 | 0 | 113.2 | P246 | K244-P246 WeakPolarHBondContact O-CD 3.43Š|
| 245 | K | 90.7 | Very high | 94.7 | Very high | 127 Ų | 127 | 46.6 Ų | 46.6 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -87.7 | 115.2 | -178.5 | -66.8 | 179.2 | -178.8 | 173.2 | 0 | 110.6 | N243 K247 I248 V249 | N243-K245 VanDerWaalsContact C-N 3.27Å; N243-K245 PolarHBondContact O-N 2.96Å; N243-K245 PolarHBondContact OD1-N 3.28Å; K245-K247 VanDerWaalsContact C-N 3.29Å; K245-K247 PolarHBondContact O-N 3.48Å; K245-I248 HydrophobicContact CB-CB 4.43Å; K245-I248 HydrophobicContact CB-CD1 3.96Å; K245-I248 HydrophobicContact CB-CG1 4.02Å; K245-I248 HydrophobicContact CD-CD1 3.82Å; K245-I248 HydrophobicContact CG-CD1 4.41Å; K245-I248 PolarHBondContact O-N 2.9Å; K245-V249 PolarHBondContact O-N 3.18Å |
| 246 | P | 91.1 | Very high | 94.7 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 31% | 0.305 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.5 | -37.2 | -176.1 | -27.2 | 35 | 0 | 0 | 0 | 114.5 | K244 I248 V249 A250 I288 | K244-P246 WeakPolarHBondContact O-CD 3.43Å; P246-I248 VanDerWaalsContact C-N 3.29Å; P246-I248 PolarHBondContact O-N 3.5Å; P246-V249 PolarHBondContact O-N 2.94Å; P246-V249 VanDerWaalsContact O-N 3.16Å; P246-A250 PolarHBondContact O-N 2.93Å; P246-I288 HydrophobicContact CB-CD1 3.86Å; P246-I288 WeakPolarHBondContact O-CD1 3.27Å |
| 247 | K | 91.1 | Very high | 94.7 | Very high | 158 Ų | 158 | 42.1 Ų | 42.1 | 69% | 0.687 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -61 | -36.4 | 178.1 | -66.4 | -171.6 | 176.2 | -174.7 | 0 | 113.1 | I207 K245 G251 | I207-K247 HydrophobicContact CB-CB 4.4Å; I207-K247 HydrophobicContact CG2-CB 3.69Å; K245-K247 VanDerWaalsContact C-N 3.29Å; K245-K247 PolarHBondContact O-N 3.48Å; K247-G251 PolarHBondContact O-N 3.48Å |
| 248 | I | 94.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 176.7 | -61.9 | -179.2 | 0 | 0 | 0 | 109.4 | V202 E203 I207 N243 K245 P246 G251 S252 | V202-I248 HydrophobicContact CG1-CG2 4.19Å; E203-I248 HydrophobicContact CG-CD1 4.3Å; I207-I248 HydrophobicContact CD1-CD1 4.41Å; I207-I248 HydrophobicContact CD1-CG1 4.23Å; I207-I248 HydrophobicContact CG2-CB 4.28Å; I207-I248 HydrophobicContact CG2-CG1 3.5Å; I207-I248 VanDerWaalsContact CG2-CG1 3.5Å; N243-I248 HydrophobicContact CB-CB 4.11Å; N243-I248 HydrophobicContact CB-CG2 3.84Å; K245-I248 HydrophobicContact CB-CB 4.43Å; K245-I248 HydrophobicContact CB-CD1 3.96Å; K245-I248 HydrophobicContact CB-CG1 4.02Å; K245-I248 HydrophobicContact CD-CD1 3.82Å; K245-I248 HydrophobicContact CG-CD1 4.41Å; K245-I248 PolarHBondContact O-N 2.9Å; P246-I248 VanDerWaalsContact C-N 3.29Å; P246-I248 PolarHBondContact O-N 3.5Å; I248-G251 PolarHBondContact O-N 3.36Å; I248-S252 VanDerWaalsContact O-CB 3.3Å; I248-S252 WeakPolarHBondContact O-CB 3.2Å; I248-S252 PolarHBondContact O-N 3.29Å; I248-S252 PolarHBondContact O-OG 3.26Å |
| 249 | V | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | N243 K245 P246 G251 S252 V253 L280 I288 | N243-V249 HydrophobicContact CB-CG2 4.4Å; N243-V249 VanDerWaalsContact O-CG2 3.23Å; N243-V249 WeakPolarHBondContact O-CG2 3.31Å; K245-V249 PolarHBondContact O-N 3.18Å; P246-V249 PolarHBondContact O-N 2.94Å; P246-V249 VanDerWaalsContact O-N 3.16Å; V249-G251 PolarHBondContact O-N 2.87Å; V249-S252 PolarHBondContact O-N 3.4Å; V249-S252 VanDerWaalsContact O-N 3.17Å; V249-V253 HydrophobicContact CG1-CG2 4.47Å; V249-V253 WeakPolarHBondContact O-CG2 3.27Å; V249-V253 PolarHBondContact O-N 2.8Å; V249-L280 HydrophobicContact CG1-CD2 3.56Å; V249-I288 HydrophobicContact CB-CD1 3.72Å; V249-I288 HydrophobicContact CB-CG1 4.41Å; V249-I288 HydrophobicContact CG1-CD1 3.77Å; V249-I288 HydrophobicContact CG1-CG1 4.2Å; V249-I288 HydrophobicContact CG1-CG2 3.9Å |
| 250 | A | 94.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -49.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P246 S252 V253 V254 I288 Y291 | P246-A250 PolarHBondContact O-N 2.93Å; A250-S252 VanDerWaalsContact C-N 3.27Å; A250-S252 PolarHBondContact O-N 3.44Å; A250-V253 PolarHBondContact O-N 2.96Å; A250-V254 WeakPolarHBondContact O-CG2 3.18Å; A250-V254 PolarHBondContact O-N 2.86Å; A250-V254 VanDerWaalsContact O-N 3.17Å; A250-I288 HydrophobicContact CB-CG1 3.97Å; A250-Y291 HydrophobicContact CB-CD2 4.16Å; A250-Y291 HydrophobicContact CB-CE2 4.23Å |
| 251 | G | 93.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K247 I248 V249 T255 | K247-G251 PolarHBondContact O-N 3.48Å; I248-G251 PolarHBondContact O-N 3.36Å; V249-G251 PolarHBondContact O-N 2.87Å; G251-T255 WeakPolarHBondContact O-CB 3.47Å; G251-T255 PolarHBondContact O-N 2.95Å; G251-T255 VanDerWaalsContact O-N 3.07Å; G251-T255 PolarHBondContact O-OG1 3.35Å |
| 252 | S | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -45.4 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | G240 I248 V249 A250 V254 T255 T256 | G240-S252 WeakPolarHBondContact CA-OG 3.35Å; I248-S252 VanDerWaalsContact O-CB 3.3Å; I248-S252 WeakPolarHBondContact O-CB 3.2Å; I248-S252 PolarHBondContact O-N 3.29Å; I248-S252 PolarHBondContact O-OG 3.26Å; V249-S252 PolarHBondContact O-N 3.4Å; V249-S252 VanDerWaalsContact O-N 3.17Å; A250-S252 VanDerWaalsContact C-N 3.27Å; A250-S252 PolarHBondContact O-N 3.44Å; S252-V254 PolarHBondContact O-N 2.94Å; S252-T255 PolarHBondContact O-N 3.4Å; S252-T256 WeakPolarHBondContact O-CB 3.43Å; S252-T256 PolarHBondContact O-N 3.09Å; S252-T256 PolarHBondContact O-OG1 3.17Å |
| 253 | V | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | L241 V249 A250 T255 T256 T257 L280 Y291 F295 | L241-V253 HydrophobicContact CD2-CB 4.1Å; L241-V253 HydrophobicContact CD2-CG2 3.22Å; V249-V253 HydrophobicContact CG1-CG2 4.47Å; V249-V253 WeakPolarHBondContact O-CG2 3.27Å; V249-V253 PolarHBondContact O-N 2.8Å; A250-V253 PolarHBondContact O-N 2.96Å; V253-T255 VanDerWaalsContact C-N 3.33Å; V253-T255 PolarHBondContact O-N 3.12Å; V253-T256 PolarHBondContact O-N 3.49Å; V253-T257 WeakPolarHBondContact O-CB 3.34Å; V253-T257 PolarHBondContact O-N 3.45Å; V253-T257 PolarHBondContact O-OG1 3.42Å; V253-L280 HydrophobicContact CG2-CD1 4.34Å; V253-L280 HydrophobicContact CG2-CD2 4.14Å; V253-Y291 WeakPolarHBondContact CG1-O 3.44Å; V253-F295 HydrophobicContact CG1-CB 4Å |
| 254 | V | 95.7 | Very high | 93.7 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 179.6 | 174 | 0 | 0 | 0 | 0 | 111 | A250 S252 T257 T258 Y291 | A250-V254 WeakPolarHBondContact O-CG2 3.18Å; A250-V254 PolarHBondContact O-N 2.86Å; A250-V254 VanDerWaalsContact O-N 3.17Å; S252-V254 PolarHBondContact O-N 2.94Å; V254-T257 PolarHBondContact O-N 3.01Å; V254-T258 WeakPolarHBondContact O-CB 3.3Å; V254-T258 PolarHBondContact O-N 3.29Å; V254-T258 PolarHBondContact O-OG1 3.38Å; V254-Y291 HydrophobicContact CG2-CD1 3.56Å; V254-Y291 HydrophobicContact CG2-CD2 3.78Å; V254-Y291 HydrophobicContact CG2-CE1 3.74Å; V254-Y291 HydrophobicContact CG2-CE2 3.94Å; V254-Y291 HydrophobicContact CG2-CG 3.61Å |
| 255 | T | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.6 | -45 | 179.4 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | Q218 L221 L237 G251 S252 V253 T257 T258 I259 | Q218-T255 HydrophobicContact CG-CG2 4.28Å; Q218-T255 PolarHBondContact NE2-OG1 2.89Å; L221-T255 HydrophobicContact CB-CG2 4.39Å; L221-T255 HydrophobicContact CD1-CG2 3.87Å; L237-T255 HydrophobicContact CD1-CG2 4.37Å; L237-T255 HydrophobicContact CD2-CG2 4.08Å; G251-T255 WeakPolarHBondContact O-CB 3.47Å; G251-T255 PolarHBondContact O-N 2.95Å; G251-T255 VanDerWaalsContact O-N 3.07Å; G251-T255 PolarHBondContact O-OG1 3.35Å; S252-T255 PolarHBondContact O-N 3.4Å; V253-T255 VanDerWaalsContact C-N 3.33Å; V253-T255 PolarHBondContact O-N 3.12Å; T255-T257 VanDerWaalsContact C-N 3.34Å; T255-T257 PolarHBondContact O-N 3.41Å; T255-T258 WeakPolarHBondContact O-CB 3.4Å; T255-T258 PolarHBondContact O-N 3.41Å; T255-I259 HydrophobicContact CG2-CD1 4.03Å; T255-I259 WeakPolarHBondContact O-CG1 3.42Å; T255-I259 PolarHBondContact O-N 2.8Å |
| 256 | T | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 175 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | S252 V253 T258 I259 V260 F268 F273 F295 | S252-T256 WeakPolarHBondContact O-CB 3.43Å; S252-T256 PolarHBondContact O-N 3.09Å; S252-T256 PolarHBondContact O-OG1 3.17Å; V253-T256 PolarHBondContact O-N 3.49Å; T256-T258 VanDerWaalsContact C-N 3.29Å; T256-T258 PolarHBondContact O-N 3.45Å; T256-I259 PolarHBondContact O-N 3.13Å; T256-V260 WeakPolarHBondContact O-CG2 3.43Å; T256-V260 PolarHBondContact O-N 3.05Å; T256-F268 HydrophobicContact CG2-CE1 4.42Å; T256-F273 HydrophobicContact CG2-CD1 3.43Å; T256-F273 VanDerWaalsContact CG2-CD1 3.43Å; T256-F273 HydrophobicContact CG2-CD2 4.42Å; T256-F273 HydrophobicContact CG2-CE1 3.55Å; T256-F273 HydrophobicContact CG2-CG 3.9Å; T256-F273 HydrophobicContact CG2-CZ 4.1Å; T256-F295 HydrophobicContact CG2-CD2 4.39Å; T256-F295 HydrophobicContact CG2-CE2 3.57Å; T256-F295 HydrophobicContact CG2-CZ 3.72Å |
| 257 | T | 95.8 | Very high | 92.5 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 13% | 0.129 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 177.2 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V253 V254 T255 V260 R261 F295 E298 | V253-T257 WeakPolarHBondContact O-CB 3.34Å; V253-T257 PolarHBondContact O-N 3.45Å; V253-T257 PolarHBondContact O-OG1 3.42Å; V254-T257 PolarHBondContact O-N 3.01Å; T255-T257 VanDerWaalsContact C-N 3.34Å; T255-T257 PolarHBondContact O-N 3.41Å; T257-V260 PolarHBondContact O-N 2.94Å; T257-R261 WeakPolarHBondContact O-CB 3.39Å; T257-R261 PolarHBondContact O-N 3.16Å; T257-F295 VanDerWaalsContact OG1-CB 3.29Å; T257-F295 WeakPolarHBondContact OG1-CB 3.43Å; T257-F295 WeakPolarHBondContact OG1-CD2 3.17Å; T257-E298 HydrophobicContact CG2-CB 4.01Å; T257-E298 HydrophobicContact CG2-CG 4.25Å |
| 258 | T | 95.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 17% | 0.172 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | L222 V254 T255 T256 V260 R261 D262 | L222-T258 HydrophobicContact CD1-CG2 4.18Å; L222-T258 HydrophobicContact CD2-CG2 4.06Å; V254-T258 WeakPolarHBondContact O-CB 3.3Å; V254-T258 PolarHBondContact O-N 3.29Å; V254-T258 PolarHBondContact O-OG1 3.38Å; T255-T258 WeakPolarHBondContact O-CB 3.4Å; T255-T258 PolarHBondContact O-N 3.41Å; T256-T258 VanDerWaalsContact C-N 3.29Å; T256-T258 PolarHBondContact O-N 3.45Å; T258-V260 PolarHBondContact O-N 3.08Å; T258-R261 PolarHBondContact O-N 3.38Å; T258-D262 VanDerWaalsContact O-CB 3.27Å; T258-D262 WeakPolarHBondContact O-CB 3.46Å; T258-D262 VanDerWaalsContact O-CG 3.23Å; T258-D262 PolarHBondContact O-N 2.97Å; T258-D262 VanDerWaalsContact O-OD1 3.11Å |
| 259 | I | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 178.4 | -69.4 | 164.9 | 0 | 0 | 0 | 111.5 | L222 V225 V233 L237 T255 T256 D262 F263 F268 | L222-I259 HydrophobicContact CD1-CG1 4.15Å; L222-I259 HydrophobicContact CG-CG1 4.23Å; V225-I259 HydrophobicContact CG2-CD1 4.41Å; V225-I259 HydrophobicContact CG2-CG2 4.12Å; V233-I259 HydrophobicContact CG1-CD1 3.64Å; L237-I259 HydrophobicContact CD1-CD1 3.57Å; T255-I259 HydrophobicContact CG2-CD1 4.03Å; T255-I259 WeakPolarHBondContact O-CG1 3.42Å; T255-I259 PolarHBondContact O-N 2.8Å; T256-I259 PolarHBondContact O-N 3.13Å; I259-D262 PolarHBondContact O-N 3.14Å; I259-F263 HydrophobicContact CG2-CD2 4.06Å; I259-F263 PolarHBondContact O-N 2.98Å; I259-F268 HydrophobicContact CD1-CZ 4.4Å; I259-F268 HydrophobicContact CG2-CB 3.87Å; I259-F268 HydrophobicContact CG2-CD1 3.62Å; I259-F268 HydrophobicContact CG2-CD2 3.44Å; I259-F268 VanDerWaalsContact CG2-CD2 3.44Å; I259-F268 HydrophobicContact CG2-CE1 3.93Å; I259-F268 HydrophobicContact CG2-CE2 3.79Å; I259-F268 HydrophobicContact CG2-CG 3.36Å; I259-F268 HydrophobicContact CG2-CZ 4.01Å |
| 260 | V | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.3 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | T256 T257 T258 D262 G264 I265 F268 V270 F295 E298 L299 W302 | T256-V260 WeakPolarHBondContact O-CG2 3.43Å; T256-V260 PolarHBondContact O-N 3.05Å; T257-V260 PolarHBondContact O-N 2.94Å; T258-V260 PolarHBondContact O-N 3.08Å; V260-D262 VanDerWaalsContact C-N 3.34Å; V260-G264 WeakPolarHBondContact O-CA 3.3Å; V260-G264 PolarHBondContact O-N 3.42Å; V260-I265 HydrophobicContact CG1-CG2 3.97Å; V260-F268 HydrophobicContact CG2-CD1 4.22Å; V260-V270 HydrophobicContact CG1-CG1 4.34Å; V260-V270 HydrophobicContact CG2-CG1 3.48Å; V260-V270 VanDerWaalsContact CG2-CG1 3.48Å; V260-F295 HydrophobicContact CG2-CE2 4.14Å; V260-E298 HydrophobicContact CG1-CG 4.41Å; V260-L299 HydrophobicContact CG1-CD2 4.31Å; V260-W302 HydrophobicContact CG1-CG 4.4Å; V260-W302 WeakPolarHBondContact O-CZ2 3.47Å; V260-W302 PolarHBondContact O-NE1 3.49Å |
| 261 | R | 93.7 | Very high | 90.9 | Very high | 118 Ų | 118 | 28.3 Ų | 28.3 | 45% | 0.445 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63 | -41.8 | 175.7 | -177.2 | -173.7 | 62.1 | -176.5 | -7.2 | 112 | T257 T258 E298 | T257-R261 WeakPolarHBondContact O-CB 3.39Å; T257-R261 PolarHBondContact O-N 3.16Å; T258-R261 PolarHBondContact O-N 3.38Å; R261-E298 HydrophobicContact CB-CG 4.1Å |
| 262 | D | 93.3 | Very high | 90.5 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -80.8 | -42.5 | -171 | -71 | 24 | 0 | 0 | 0 | 112 | L222 T258 I259 V260 P336 T337 R338 | L222-D262 WeakPolarHBondContact CD2-OD2 3.45Å; T258-D262 VanDerWaalsContact O-CB 3.27Å; T258-D262 WeakPolarHBondContact O-CB 3.46Å; T258-D262 VanDerWaalsContact O-CG 3.23Å; T258-D262 PolarHBondContact O-N 2.97Å; T258-D262 VanDerWaalsContact O-OD1 3.11Å; I259-D262 PolarHBondContact O-N 3.14Å; V260-D262 VanDerWaalsContact C-N 3.34Å; D262-P336 CarbonylContact O-C 3.49Å; D262-P336 WeakPolarHBondContact O-CA 2.95Å; D262-P336 WeakPolarHBondContact O-CB 3.14Å; D262-T337 WeakPolarHBondContact CA-OG1 3.34Å; D262-T337 PolarHBondContact O-N 2.69Å; D262-R338 HydrophobicContact CB-CB 4.32Å; D262-R338 HydrophobicContact CB-CG 4.06Å; D262-R338 PolarHBondContact O-N 3.43Å; D262-R338 VanDerWaalsContact O-O 3.12Å; D262-R338 IonicContact OD2-NE 2.68Å; D262-R338 PolarHBondContact OD2-NE 3.13Å |
| 263 | F | 91.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -105.4 | -15.7 | -175.3 | -64.6 | -82.3 | 0 | 0 | 0 | 114.4 | L222 V225 E226 I259 N267 R338 L340 | L222-F263 HydrophobicContact CB-CE2 4.23Å; L222-F263 HydrophobicContact CD2-CE2 4.32Å; L222-F263 HydrophobicContact CG-CE2 4.12Å; V225-F263 HydrophobicContact CB-CD2 4.2Å; V225-F263 HydrophobicContact CB-CE1 4.4Å; V225-F263 HydrophobicContact CB-CE2 4.01Å; V225-F263 HydrophobicContact CB-CG 4.49Å; V225-F263 HydrophobicContact CB-CZ 4.13Å; V225-F263 HydrophobicContact CG1-CB 4.23Å; V225-F263 HydrophobicContact CG1-CD1 3.7Å; V225-F263 HydrophobicContact CG1-CD2 3.71Å; V225-F263 HydrophobicContact CG1-CE1 3.97Å; V225-F263 HydrophobicContact CG1-CE2 3.97Å; V225-F263 HydrophobicContact CG1-CG 3.57Å; V225-F263 HydrophobicContact CG1-CZ 4.11Å; E226-F263 HydrophobicContact CB-CE1 4.46Å; E226-F263 HydrophobicContact CG-CE1 3.52Å; E226-F263 HydrophobicContact CG-CZ 3.42Å; E226-F263 VanDerWaalsContact CG-CZ 3.42Å; I259-F263 HydrophobicContact CG2-CD2 4.06Å; I259-F263 PolarHBondContact O-N 2.98Å; F263-N267 HydrophobicContact CB-CB 4.21Å; F263-R338 HydrophobicContact CD1-CB 4.15Å; F263-R338 HydrophobicContact CE1-CB 3.68Å; F263-R338 HydrophobicContact CE2-CB 4.4Å; F263-R338 HydrophobicContact CZ-CB 3.81Å; F263-R338 HydrophobicContact CZ-CG 4.43Å; F263-L340 HydrophobicContact CD1-CD2 4.36Å |
| 264 | G | 87.2 | Confident | 89.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | 73.9 | 167.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V260 K266 N267 F268 W302 | V260-G264 WeakPolarHBondContact O-CA 3.3Å; V260-G264 PolarHBondContact O-N 3.42Å; G264-K266 VanDerWaalsContact C-N 3.25Å; G264-K266 PolarHBondContact O-N 2.77Å; G264-N267 PolarHBondContact O-N 3.42Å; G264-F268 PolarHBondContact O-N 3.35Å; G264-W302 VanDerWaalsContact CA-CZ3 3.49Å |
| 265 | I | 84.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.108 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.7 | -12.1 | -174.1 | 64 | 169.5 | 0 | 0 | 0 | 114.3 | V260 F268 V270 W302 V371 | V260-I265 HydrophobicContact CG1-CG2 3.97Å; I265-F268 WeakPolarHBondContact CA-O 2.95Å; I265-V270 HydrophobicContact CB-CG1 4.29Å; I265-V270 HydrophobicContact CB-CG2 4.13Å; I265-V270 HydrophobicContact CG2-CB 4.4Å; I265-V270 HydrophobicContact CG2-CG1 3.62Å; I265-V270 HydrophobicContact CG2-CG2 3.88Å; I265-W302 HydrophobicContact CD1-CB 3.89Å; I265-W302 HydrophobicContact CG1-CB 4.09Å; I265-W302 HydrophobicContact CG1-CE3 4.15Å; I265-W302 HydrophobicContact CG2-CB 3.63Å; I265-W302 HydrophobicContact CG2-CD2 4.24Å; I265-W302 HydrophobicContact CG2-CG 3.82Å; I265-V371 HydrophobicContact CD1-CB 4.24Å; I265-V371 HydrophobicContact CD1-CG1 3.79Å; I265-V371 HydrophobicContact CD1-CG2 3.59Å; I265-V371 HydrophobicContact CG1-CG2 4.09Å |
| 266 | K | 80.1 | Confident | 89.1 | Confident | 150 Ų | 150 | 37 Ų | 37 | 65% | 0.652 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -73.6 | -46.7 | 174 | -176.5 | 178.5 | 177.7 | 175.6 | 0 | 111 | G264 E369 | G264-K266 VanDerWaalsContact C-N 3.25Å; G264-K266 PolarHBondContact O-N 2.77Å; K266-E369 IonicContact NZ-OE2 3.96Å; K266-E369 PolarHBondContact NZ-OE2 3.08Å |
| 267 | N | 83.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -86.6 | -21.9 | -177.6 | -67.2 | -16.1 | 0 | 0 | 0 | 112.3 | F263 G264 L340 E343 | F263-N267 HydrophobicContact CB-CB 4.21Å; G264-N267 PolarHBondContact O-N 3.42Å; N267-L340 HydrophobicContact CB-CD1 4.05Å; N267-L340 HydrophobicContact CB-CD2 4.44Å; N267-L340 HydrophobicContact CB-CG 4.26Å; N267-E343 PolarHBondContact ND2-OE1 3.15Å; N267-E343 VanDerWaalsContact ND2-OE1 3.12Å; N267-E343 PolarHBondContact ND2-OE2 3.47Å; N267-E343 VanDerWaalsContact ND2-OE2 3.14Å |
| 268 | F | 88.8 | Confident | 88.5 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -127.9 | 105 | 175.5 | -163 | -101.6 | 0 | 0 | 0 | 111.8 | V225 Q230 V233 L237 T256 I259 V260 G264 I265 V270 F273 | V225-F268 HydrophobicContact CG2-CD2 4.19Å; V225-F268 HydrophobicContact CG2-CE2 4.26Å; Q230-F268 HydrophobicContact CB-CD2 3.93Å; Q230-F268 HydrophobicContact CB-CE2 4.37Å; V233-F268 HydrophobicContact CB-CE2 4.31Å; V233-F268 HydrophobicContact CG1-CE2 4.07Å; V233-F268 HydrophobicContact CG1-CZ 4.38Å; L237-F268 HydrophobicContact CD1-CZ 4.24Å; T256-F268 HydrophobicContact CG2-CE1 4.42Å; I259-F268 HydrophobicContact CD1-CZ 4.4Å; I259-F268 HydrophobicContact CG2-CB 3.87Å; I259-F268 HydrophobicContact CG2-CD1 3.62Å; I259-F268 HydrophobicContact CG2-CD2 3.44Å; I259-F268 VanDerWaalsContact CG2-CD2 3.44Å; I259-F268 HydrophobicContact CG2-CE1 3.93Å; I259-F268 HydrophobicContact CG2-CE2 3.79Å; I259-F268 HydrophobicContact CG2-CG 3.36Å; I259-F268 HydrophobicContact CG2-CZ 4.01Å; V260-F268 HydrophobicContact CG2-CD1 4.22Å; G264-F268 PolarHBondContact O-N 3.35Å; I265-F268 WeakPolarHBondContact CA-O 2.95Å; F268-V270 PolarHBondContact O-N 3.49Å; F268-V270 VanDerWaalsContact O-N 3.16Å; F268-F273 HydrophobicContact CD1-CE2 4.27Å; F268-F273 HydrophobicContact CE1-CD2 4.28Å; F268-F273 AromaticContact CE1-CE2 3.39Å; F268-F273 HydrophobicContact CE1-CE2 3.39Å; F268-F273 AromaticContact CE1-CZ 3.55Å; F268-F273 HydrophobicContact CE1-CZ 3.55Å; F268-F273 AromaticContact CZ-CE2 3.89Å; F268-F273 HydrophobicContact CZ-CE2 3.89Å; F268-F273 AromaticContact CZ-CZ 3.73Å; F268-F273 HydrophobicContact CZ-CZ 3.73Å |
| 269 | S | 85.3 | Confident | 88.3 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | trans | -64.5 | 114.6 | -176.2 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | P272 | S269-P272 WeakPolarHBondContact O-CD 3.38Š| ||
| 270 | V | 84.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | trans | -86.2 | -8.5 | -176.6 | -66.7 | 0 | 0 | 0 | 0 | 114.9 | V260 I265 F268 F273 I274 L299 M376 | V260-V270 HydrophobicContact CG1-CG1 4.34Å; V260-V270 HydrophobicContact CG2-CG1 3.48Å; V260-V270 VanDerWaalsContact CG2-CG1 3.48Å; I265-V270 HydrophobicContact CB-CG1 4.29Å; I265-V270 HydrophobicContact CB-CG2 4.13Å; I265-V270 HydrophobicContact CG2-CB 4.4Å; I265-V270 HydrophobicContact CG2-CG1 3.62Å; I265-V270 HydrophobicContact CG2-CG2 3.88Å; F268-V270 PolarHBondContact O-N 3.49Å; F268-V270 VanDerWaalsContact O-N 3.16Å; V270-F273 WeakPolarHBondContact O-CB 3.34Å; V270-F273 PolarHBondContact O-N 2.85Å; V270-I274 HydrophobicContact CG2-CD1 4.09Å; V270-I274 PolarHBondContact O-N 3.46Å; V270-L299 HydrophobicContact CB-CD2 3.69Å; V270-L299 HydrophobicContact CG1-CD2 3.6Å; V270-L299 HydrophobicContact CG2-CD2 4.01Å; V270-M376 HydrophobicContact CG2-CE 4.03Å | ||
| 271 | K | 83.1 | Confident | 88.1 | Confident | 84 Ų | 84 | 42 Ų | 42 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -53.7 | -45.4 | -177.3 | -93.8 | 177.9 | 177.9 | 162.7 | 0 | 114.7 | F273 I274 E375 M376 | K271-F273 PolarHBondContact O-N 2.78Å; K271-I274 PolarHBondContact O-N 2.82Å; K271-E375 WeakPolarHBondContact CE-O 3.44Å; K271-E375 PolarHBondContact NZ-O 3.16Å; K271-M376 HydrophobicContact CG-SD 4.25Å |
| 272 | P | 86.4 | Confident | 88 | Confident | 51 Ų | 51 | 39.9 Ų | 39.9 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -33.2 | 177.2 | -23.2 | 34.5 | 0 | 0 | 0 | 112.8 | V238 S269 | V238-P272 HydrophobicContact CG2-CB 3.72Å; S269-P272 WeakPolarHBondContact O-CD 3.38Å |
| 273 | F | 91.3 | Very high | 88 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.7 | -35.9 | -177.2 | -56.9 | -86.3 | 0 | 0 | 0 | 112.6 | S234 L237 V238 L241 T256 F268 V270 K271 K275 L276 I277 F295 | S234-F273 WeakPolarHBondContact OG-CE2 3.39Å; L237-F273 HydrophobicContact CB-CE1 3.9Å; L237-F273 HydrophobicContact CB-CZ 4.22Å; V238-F273 HydrophobicContact CG2-CD1 4.24Å; V238-F273 HydrophobicContact CG2-CE1 3.82Å; V238-F273 HydrophobicContact CG2-CE2 4.37Å; V238-F273 HydrophobicContact CG2-CZ 3.9Å; L241-F273 HydrophobicContact CD1-CD1 3.49Å; L241-F273 VanDerWaalsContact CD1-CD1 3.49Å; L241-F273 HydrophobicContact CD1-CE1 3.91Å; T256-F273 HydrophobicContact CG2-CD1 3.43Å; T256-F273 VanDerWaalsContact CG2-CD1 3.43Å; T256-F273 HydrophobicContact CG2-CD2 4.42Å; T256-F273 HydrophobicContact CG2-CE1 3.55Å; T256-F273 HydrophobicContact CG2-CG 3.9Å; T256-F273 HydrophobicContact CG2-CZ 4.1Å; F268-F273 HydrophobicContact CD1-CE2 4.27Å; F268-F273 HydrophobicContact CE1-CD2 4.28Å; F268-F273 AromaticContact CE1-CE2 3.39Å; F268-F273 HydrophobicContact CE1-CE2 3.39Å; F268-F273 AromaticContact CE1-CZ 3.55Å; F268-F273 HydrophobicContact CE1-CZ 3.55Å; F268-F273 AromaticContact CZ-CE2 3.89Å; F268-F273 HydrophobicContact CZ-CE2 3.89Å; F268-F273 AromaticContact CZ-CZ 3.73Å; F268-F273 HydrophobicContact CZ-CZ 3.73Å; V270-F273 WeakPolarHBondContact O-CB 3.34Å; V270-F273 PolarHBondContact O-N 2.85Å; K271-F273 PolarHBondContact O-N 2.78Å; F273-K275 PolarHBondContact O-N 2.83Å; F273-L276 PolarHBondContact O-N 3.42Å; F273-I277 PolarHBondContact O-N 3.49Å; F273-F295 HydrophobicContact CB-CE1 4Å; F273-F295 HydrophobicContact CB-CZ 3.73Å; F273-F295 HydrophobicContact CG-CZ 4.39Å |
| 274 | I | 86.5 | Confident | 88 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.8 | -38.1 | 177.5 | -70.1 | 171.4 | 0 | 0 | 0 | 111.3 | V270 K271 L276 I277 L299 L307 Q310 M376 | V270-I274 HydrophobicContact CG2-CD1 4.09Å; V270-I274 PolarHBondContact O-N 3.46Å; K271-I274 PolarHBondContact O-N 2.82Å; I274-L276 PolarHBondContact O-N 3.31Å; I274-I277 HydrophobicContact CB-CD1 4.2Å; I274-I277 HydrophobicContact CG1-CD1 4.16Å; I274-I277 HydrophobicContact CG2-CD1 4.19Å; I274-I277 WeakPolarHBondContact O-CB 3.43Å; I274-I277 WeakPolarHBondContact O-CG1 3.45Å; I274-I277 PolarHBondContact O-N 2.9Å; I274-L299 HydrophobicContact CG1-CD1 4.22Å; I274-L307 HydrophobicContact CD1-CD1 4.33Å; I274-L307 HydrophobicContact CG1-CD1 4.42Å; I274-Q310 HydrophobicContact CG2-CB 4.06Å; I274-Q310 HydrophobicContact CG2-CG 4.19Å; I274-M376 HydrophobicContact CD1-CE 3.23Å |
| 275 | K | 85.5 | Confident | 88.3 | Confident | 149 Ų | 149 | 53.1 Ų | 53.1 | 65% | 0.648 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.9 | 177.8 | -64.8 | -172.8 | 176.8 | -171.5 | 0 | 114 | F273 | F273-K275 PolarHBondContact O-N 2.83Š|
| 276 | L | 90.7 | Very high | 88.8 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -4.1 | 179.1 | -56.8 | 178.8 | 0 | 0 | 0 | 113 | V238 L241 Q242 F273 I274 L278 P279 L280 | V238-L276 HydrophobicContact CG1-CD1 4.23Å; L241-L276 HydrophobicContact CB-CD1 3.86Å; L241-L276 HydrophobicContact CD1-CD1 4.09Å; Q242-L276 HydrophobicContact CG-CD1 4.05Å; Q242-L276 HydrophobicContact CG-CD2 3.97Å; Q242-L276 VanDerWaalsContact NE2-CD2 3.34Å; F273-L276 PolarHBondContact O-N 3.42Å; I274-L276 PolarHBondContact O-N 3.31Å; L276-L278 PolarHBondContact O-N 2.93Å; L276-P279 VanDerWaalsContact O-CD 3.25Å; L276-P279 WeakPolarHBondContact O-CD 3.39Å; L276-P279 VanDerWaalsContact O-CG 3.31Å; L276-P279 WeakPolarHBondContact O-CG 3.4Å; L276-L280 HydrophobicContact CB-CD1 3.95Å; L276-L280 HydrophobicContact CB-CG 4.46Å; L276-L280 WeakPolarHBondContact O-CB 3.23Å; L276-L280 WeakPolarHBondContact O-CD1 3.33Å; L276-L280 WeakPolarHBondContact O-CG 3.3Å; L276-L280 PolarHBondContact O-N 3.44Å |
| 277 | I | 90.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | -176.7 | -72.8 | 171.3 | 0 | 0 | 0 | 111.8 | F273 I274 L280 L281 V296 L299 L307 L311 | F273-I277 PolarHBondContact O-N 3.49Å; I274-I277 HydrophobicContact CB-CD1 4.2Å; I274-I277 HydrophobicContact CG1-CD1 4.16Å; I274-I277 HydrophobicContact CG2-CD1 4.19Å; I274-I277 WeakPolarHBondContact O-CB 3.43Å; I274-I277 WeakPolarHBondContact O-CG1 3.45Å; I274-I277 PolarHBondContact O-N 2.9Å; I277-L280 PolarHBondContact O-N 3.23Å; I277-L281 HydrophobicContact CG2-CD1 3.46Å; I277-L281 VanDerWaalsContact CG2-CD1 3.46Å; I277-L281 HydrophobicContact CG2-CG 3.95Å; I277-L281 WeakPolarHBondContact O-CB 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.37Å; I277-L281 PolarHBondContact O-N 3.29Å; I277-V296 HydrophobicContact CD1-CG2 4.2Å; I277-V296 HydrophobicContact CG1-CG2 4.18Å; I277-V296 HydrophobicContact CG2-CG2 3.64Å; I277-L299 HydrophobicContact CD1-CD1 3.78Å; I277-L307 HydrophobicContact CD1-CD1 4.37Å; I277-L311 HydrophobicContact CG2-CD2 3.77Å |
| 278 | L | 89.5 | Confident | 90 | Very high | 59 Ų | 59 | 54.9 Ų | 54.9 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -54.5 | -176.5 | -175.4 | 68.6 | 0 | 0 | 0 | 112.7 | L276 L280 L281 E282 V314 | L276-L278 PolarHBondContact O-N 2.93Å; L278-L280 PolarHBondContact O-N 3.48Å; L278-L281 PolarHBondContact O-N 2.91Å; L278-E282 HydrophobicContact CD1-CG 4.44Å; L278-E282 PolarHBondContact O-N 2.93Å; L278-E282 VanDerWaalsContact O-N 3.09Å; L278-V314 HydrophobicContact CD1-CB 4.43Å; L278-V314 HydrophobicContact CD1-CG2 3.89Å |
| 279 | P | 90.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 58.8 Ų | 58.8 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -25.8 | 178.1 | 21.8 | -31.3 | 0 | 0 | 0 | 113.8 | L276 H283 | L276-P279 VanDerWaalsContact O-CD 3.25Å; L276-P279 WeakPolarHBondContact O-CD 3.39Å; L276-P279 VanDerWaalsContact O-CG 3.31Å; L276-P279 WeakPolarHBondContact O-CG 3.4Å; P279-H283 PolarHBondContact O-N 3.37Å; P279-H283 VanDerWaalsContact O-N 3.15Å |
| 280 | L | 92.9 | Very high | 90.7 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.3 | -44.4 | 177.1 | -72.7 | 172.5 | 0 | 0 | 0 | 112.4 | L241 V249 V253 L276 I277 L278 E282 H283 I288 S292 | L241-L280 HydrophobicContact CD1-CD1 4.34Å; L241-L280 HydrophobicContact CD2-CD1 3.98Å; L241-L280 HydrophobicContact CD2-CD2 4.21Å; V249-L280 HydrophobicContact CG1-CD2 3.56Å; V253-L280 HydrophobicContact CG2-CD1 4.34Å; V253-L280 HydrophobicContact CG2-CD2 4.14Å; L276-L280 HydrophobicContact CB-CD1 3.95Å; L276-L280 HydrophobicContact CB-CG 4.46Å; L276-L280 WeakPolarHBondContact O-CB 3.23Å; L276-L280 WeakPolarHBondContact O-CD1 3.33Å; L276-L280 WeakPolarHBondContact O-CG 3.3Å; L276-L280 PolarHBondContact O-N 3.44Å; I277-L280 PolarHBondContact O-N 3.23Å; L278-L280 PolarHBondContact O-N 3.48Å; L280-E282 PolarHBondContact O-N 3.28Å; L280-H283 VanDerWaalsContact O-CB 3.25Å; L280-H283 WeakPolarHBondContact O-CB 3.15Å; L280-H283 PolarHBondContact O-N 2.86Å; L280-I288 HydrophobicContact CD2-CG2 4.16Å; L280-S292 WeakPolarHBondContact CB-OG 3.44Å; L280-S292 PolarHBondContact O-OG 3.47Å |
| 281 | L | 92.5 | Very high | 91.3 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -31.8 | 174.1 | -80 | 178.9 | 0 | 0 | 0 | 112.6 | I277 L278 R289 K293 V296 V314 L318 L322 | I277-L281 HydrophobicContact CG2-CD1 3.46Å; I277-L281 VanDerWaalsContact CG2-CD1 3.46Å; I277-L281 HydrophobicContact CG2-CG 3.95Å; I277-L281 WeakPolarHBondContact O-CB 3.24Å; I277-L281 WeakPolarHBondContact O-CG 3.37Å; I277-L281 PolarHBondContact O-N 3.29Å; L278-L281 PolarHBondContact O-N 2.91Å; L281-R289 WeakPolarHBondContact O-CD 3.32Å; L281-R289 WeakPolarHBondContact O-CG 3.37Å; L281-K293 HydrophobicContact CD2-CG 3.95Å; L281-V296 HydrophobicContact CD1-CG2 4.33Å; L281-V296 HydrophobicContact CD2-CG2 4.36Å; L281-V296 HydrophobicContact CG-CG2 4.46Å; L281-V314 HydrophobicContact CD1-CG1 4.38Å; L281-V314 HydrophobicContact CD1-CG2 4.05Å; L281-L318 HydrophobicContact CB-CD2 3.87Å; L281-L318 HydrophobicContact CD1-CD2 4.21Å; L281-L318 HydrophobicContact CD2-CD2 4.36Å; L281-L318 HydrophobicContact CG-CD2 4.39Å; L281-L322 HydrophobicContact CD1-CD1 4.08Å |
| 282 | E | 90.2 | Very high | 91.8 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 12 | 178 | -59 | -163.1 | 165.9 | 0 | 0 | 113.6 | L278 L280 R315 | L278-E282 HydrophobicContact CD1-CG 4.44Å; L278-E282 PolarHBondContact O-N 2.93Å; L278-E282 VanDerWaalsContact O-N 3.09Å; L280-E282 PolarHBondContact O-N 3.28Å; E282-R315 WeakPolarHBondContact OE1-CG 3.42Å; E282-R315 IonicContact OE1-CZ 3.68Å; E282-R315 IonicContact OE1-NE 2.7Å; E282-R315 PolarHBondContact OE1-NE 2.93Å; E282-R315 IonicContact OE1-NH2 2.72Å; E282-R315 PolarHBondContact OE1-NH2 3.31Å; E282-R315 IonicContact OE2-CZ 3.16Å; E282-R315 IonicContact OE2-NE 3.37Å; E282-R315 IonicContact OE2-NH2 2.96Å; E282-R315 PolarHBondContact OE2-NH2 3.16Å |
| 283 | H | 94.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | trans | -63.5 | 146 | -177.3 | -166.4 | -93.7 | 0 | 0 | 0 | 111.6 | P279 L280 D285 I288 R289 | P279-H283 PolarHBondContact O-N 3.37Å; P279-H283 VanDerWaalsContact O-N 3.15Å; L280-H283 VanDerWaalsContact O-CB 3.25Å; L280-H283 WeakPolarHBondContact O-CB 3.15Å; L280-H283 PolarHBondContact O-N 2.86Å; H283-D285 VanDerWaalsContact C-N 3.27Å; H283-D285 VanDerWaalsContact ND1-CB 3.32Å; H283-D285 WeakPolarHBondContact ND1-CB 3.15Å; H283-D285 PolarHBondContact ND1-N 3.48Å; H283-D285 VanDerWaalsContact ND1-N 3.16Å; H283-D285 PolarHBondContact O-N 3.39Å; H283-I288 HydrophobicContact CB-CB 4.23Å; H283-I288 HydrophobicContact CB-CG2 3.66Å; H283-I288 WeakPolarHBondContact CE1-CD1 3.39Å; H283-I288 VanDerWaalsContact ND1-CD1 3.32Å; H283-I288 WeakPolarHBondContact ND1-CD1 3.41Å; H283-R289 WeakPolarHBondContact O-CD 3.39Å; H283-R289 WeakPolarHBondContact O-CG 3.2Å; H283-R289 PolarHBondContact O-NH1 3.21Å | ||
| 284 | R | 90.7 | Very high | 92.4 | Very high | 200 Ų | 200 | 62.9 Ų | 62.9 | 76% | 0.755 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -61.9 | -31.8 | -178.4 | 57.7 | -176.2 | 171.8 | -164.6 | -1.6 | 114.1 | R289 | R284-R289 PolarHBondContact O-NH1 2.91Š|
| 285 | D | 94.5 | Very high | 92.8 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -79.1 | 131 | 179.2 | -170.2 | -74.3 | 0 | 0 | 0 | 111.4 | H283 E287 I288 R289 | H283-D285 VanDerWaalsContact C-N 3.27Å; H283-D285 VanDerWaalsContact ND1-CB 3.32Å; H283-D285 WeakPolarHBondContact ND1-CB 3.15Å; H283-D285 PolarHBondContact ND1-N 3.48Å; H283-D285 VanDerWaalsContact ND1-N 3.16Å; H283-D285 PolarHBondContact O-N 3.39Å; D285-E287 WeakPolarHBondContact OD1-CA 3.41Å; D285-E287 VanDerWaalsContact OD1-CB 3.26Å; D285-E287 WeakPolarHBondContact OD1-CB 3.48Å; D285-E287 PolarHBondContact OD1-N 2.98Å; D285-I288 HydrophobicContact CB-CB 4.19Å; D285-I288 HydrophobicContact CB-CD1 3.79Å; D285-I288 HydrophobicContact CB-CG1 4.07Å; D285-I288 PolarHBondContact OD1-N 2.9Å; D285-R289 WeakPolarHBondContact O-CG 3.14Å; D285-R289 PolarHBondContact O-N 3.07Å; D285-R289 PolarHBondContact O-NH1 3.31Å |
| 286 | K | 93.6 | Very high | 93.1 | Very high | 134 Ų | 134 | 55 Ų | 55 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66.4 | -41.5 | -178.2 | -178.5 | -177 | 176 | -64.9 | 0 | 112.5 | I288 R289 D290 | K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 2.9Å; K286-R289 PolarHBondContact O-N 3.39Å; K286-D290 IonicContact NZ-OD2 3.93Å; K286-D290 PolarHBondContact NZ-OD2 3.08Å; K286-D290 PolarHBondContact O-N 3.04Å |
| 287 | E | 93.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 55.6 Ų | 55.6 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | -176.8 | -144.7 | -169.2 | 160.5 | 0 | 0 | 110.3 | D285 R289 D290 Y291 | D285-E287 WeakPolarHBondContact OD1-CA 3.41Å; D285-E287 VanDerWaalsContact OD1-CB 3.26Å; D285-E287 WeakPolarHBondContact OD1-CB 3.48Å; D285-E287 PolarHBondContact OD1-N 2.98Å; E287-R289 PolarHBondContact O-N 2.76Å; E287-D290 PolarHBondContact O-N 3.06Å; E287-Y291 HydrophobicContact CB-CE2 4.36Å; E287-Y291 HydrophobicContact CG-CD2 4.19Å; E287-Y291 HydrophobicContact CG-CE2 3.5Å; E287-Y291 WeakPolarHBondContact O-CD2 3.27Å; E287-Y291 PolarHBondContact O-N 2.95Å; E287-Y291 VanDerWaalsContact OE1-CE2 3.27Å; E287-Y291 WeakPolarHBondContact OE1-CE2 3.32Å; E287-Y291 PolarHBondContact OE1-OH 3.02Å |
| 288 | I | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 175.4 | -66.4 | 171.5 | 0 | 0 | 0 | 111.1 | P246 V249 A250 L280 H283 D285 K286 D290 Y291 S292 | P246-I288 HydrophobicContact CB-CD1 3.86Å; P246-I288 WeakPolarHBondContact O-CD1 3.27Å; V249-I288 HydrophobicContact CB-CD1 3.72Å; V249-I288 HydrophobicContact CB-CG1 4.41Å; V249-I288 HydrophobicContact CG1-CD1 3.77Å; V249-I288 HydrophobicContact CG1-CG1 4.2Å; V249-I288 HydrophobicContact CG1-CG2 3.9Å; A250-I288 HydrophobicContact CB-CG1 3.97Å; L280-I288 HydrophobicContact CD2-CG2 4.16Å; H283-I288 HydrophobicContact CB-CB 4.23Å; H283-I288 HydrophobicContact CB-CG2 3.66Å; H283-I288 WeakPolarHBondContact CE1-CD1 3.39Å; H283-I288 VanDerWaalsContact ND1-CD1 3.32Å; H283-I288 WeakPolarHBondContact ND1-CD1 3.41Å; D285-I288 HydrophobicContact CB-CB 4.19Å; D285-I288 HydrophobicContact CB-CD1 3.79Å; D285-I288 HydrophobicContact CB-CG1 4.07Å; D285-I288 PolarHBondContact OD1-N 2.9Å; K286-I288 VanDerWaalsContact C-N 3.3Å; K286-I288 PolarHBondContact O-N 2.9Å; I288-D290 VanDerWaalsContact C-N 3.32Å; I288-D290 PolarHBondContact O-N 3.47Å; I288-Y291 PolarHBondContact O-N 3.28Å; I288-S292 VanDerWaalsContact O-CB 3.24Å; I288-S292 WeakPolarHBondContact O-CB 3.49Å; I288-S292 PolarHBondContact O-N 3.13Å; I288-S292 PolarHBondContact O-OG 2.8Å |
| 289 | R | 93.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 31% | 0.309 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 177.5 | -67.1 | -168.1 | -60.1 | -88 | 2 | 111.9 | L281 H283 R284 D285 K286 E287 S292 K293 | L281-R289 WeakPolarHBondContact O-CD 3.32Å; L281-R289 WeakPolarHBondContact O-CG 3.37Å; H283-R289 WeakPolarHBondContact O-CD 3.39Å; H283-R289 WeakPolarHBondContact O-CG 3.2Å; H283-R289 PolarHBondContact O-NH1 3.21Å; R284-R289 PolarHBondContact O-NH1 2.91Å; D285-R289 WeakPolarHBondContact O-CG 3.14Å; D285-R289 PolarHBondContact O-N 3.07Å; D285-R289 PolarHBondContact O-NH1 3.31Å; K286-R289 PolarHBondContact O-N 3.39Å; E287-R289 PolarHBondContact O-N 2.76Å; R289-S292 PolarHBondContact O-N 2.72Å; R289-K293 PolarHBondContact O-N 3.27Å |
| 290 | D | 94.8 | Very high | 93.1 | Very high | 61 Ų | 61 | 51 Ų | 51 | 33% | 0.326 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -46 | -179.4 | -67.7 | -18.5 | 0 | 0 | 0 | 111.3 | K286 E287 I288 S292 K293 Q294 | K286-D290 IonicContact NZ-OD2 3.93Å; K286-D290 PolarHBondContact NZ-OD2 3.08Å; K286-D290 PolarHBondContact O-N 3.04Å; E287-D290 PolarHBondContact O-N 3.06Å; I288-D290 VanDerWaalsContact C-N 3.32Å; I288-D290 PolarHBondContact O-N 3.47Å; D290-S292 VanDerWaalsContact C-N 3.3Å; D290-S292 PolarHBondContact O-N 2.77Å; D290-K293 PolarHBondContact O-N 2.97Å; D290-Q294 PolarHBondContact O-N 3.09Å |
| 291 | Y | 95.8 | Very high | 92.8 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -34.6 | 173.7 | -66.1 | -46.2 | 0 | 0 | 0 | 112.6 | A250 V253 V254 E287 I288 K293 Q294 F295 | A250-Y291 HydrophobicContact CB-CD2 4.16Å; A250-Y291 HydrophobicContact CB-CE2 4.23Å; V253-Y291 WeakPolarHBondContact CG1-O 3.44Å; V254-Y291 HydrophobicContact CG2-CD1 3.56Å; V254-Y291 HydrophobicContact CG2-CD2 3.78Å; V254-Y291 HydrophobicContact CG2-CE1 3.74Å; V254-Y291 HydrophobicContact CG2-CE2 3.94Å; V254-Y291 HydrophobicContact CG2-CG 3.61Å; E287-Y291 HydrophobicContact CB-CE2 4.36Å; E287-Y291 HydrophobicContact CG-CD2 4.19Å; E287-Y291 HydrophobicContact CG-CE2 3.5Å; E287-Y291 WeakPolarHBondContact O-CD2 3.27Å; E287-Y291 PolarHBondContact O-N 2.95Å; E287-Y291 VanDerWaalsContact OE1-CE2 3.27Å; E287-Y291 WeakPolarHBondContact OE1-CE2 3.32Å; E287-Y291 PolarHBondContact OE1-OH 3.02Å; I288-Y291 PolarHBondContact O-N 3.28Å; Y291-K293 VanDerWaalsContact C-N 3.35Å; Y291-Q294 PolarHBondContact O-N 3.3Å; Y291-F295 PolarHBondContact O-N 3.34Å |
| 292 | S | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 177.7 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | L280 I288 R289 D290 F295 V296 | L280-S292 WeakPolarHBondContact CB-OG 3.44Å; L280-S292 PolarHBondContact O-OG 3.47Å; I288-S292 VanDerWaalsContact O-CB 3.24Å; I288-S292 WeakPolarHBondContact O-CB 3.49Å; I288-S292 PolarHBondContact O-N 3.13Å; I288-S292 PolarHBondContact O-OG 2.8Å; R289-S292 PolarHBondContact O-N 2.72Å; D290-S292 VanDerWaalsContact C-N 3.3Å; D290-S292 PolarHBondContact O-N 2.77Å; S292-F295 PolarHBondContact O-N 2.84Å; S292-V296 VanDerWaalsContact O-CG2 3.26Å; S292-V296 WeakPolarHBondContact O-CG2 3.31Å; S292-V296 PolarHBondContact O-N 3.24Å |
| 293 | K | 94.4 | Very high | 92 | Very high | 59 Ų | 59 | 52.4 Ų | 52.4 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 170.6 | -78.4 | -178.6 | 172.6 | -174.4 | 0 | 111.3 | L281 R289 D290 Y291 F295 V296 I297 E321 L322 | L281-K293 HydrophobicContact CD2-CG 3.95Å; R289-K293 PolarHBondContact O-N 3.27Å; D290-K293 PolarHBondContact O-N 2.97Å; Y291-K293 VanDerWaalsContact C-N 3.35Å; K293-F295 VanDerWaalsContact C-N 3.31Å; K293-F295 PolarHBondContact O-N 3.31Å; K293-V296 PolarHBondContact O-N 3.07Å; K293-I297 VanDerWaalsContact O-CG1 3.26Å; K293-I297 WeakPolarHBondContact O-CG1 3.44Å; K293-I297 PolarHBondContact O-N 3.17Å; K293-E321 WeakPolarHBondContact CE-OE2 2.88Å; K293-E321 IonicContact NZ-OE2 2.74Å; K293-E321 PolarHBondContact NZ-OE2 3.17Å; K293-L322 HydrophobicContact CG-CD2 4.44Å |
| 294 | Q | 94.8 | Very high | 91.3 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 52% | 0.523 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 177.6 | -66.8 | 179.3 | 13.9 | 0 | 0 | 112.1 | D290 Y291 V296 I297 E298 | D290-Q294 PolarHBondContact O-N 3.09Å; Y291-Q294 PolarHBondContact O-N 3.3Å; Q294-V296 PolarHBondContact O-N 3.42Å; Q294-I297 PolarHBondContact O-N 2.93Å; Q294-E298 PolarHBondContact O-N 2.94Å |
| 295 | F | 95 | Very high | 90.4 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.8 | 179.2 | -126.8 | 0 | 0 | 0 | 112.3 | V253 T256 T257 V260 F273 Y291 S292 K293 E298 L299 | V253-F295 HydrophobicContact CG1-CB 4Å; T256-F295 HydrophobicContact CG2-CD2 4.39Å; T256-F295 HydrophobicContact CG2-CE2 3.57Å; T256-F295 HydrophobicContact CG2-CZ 3.72Å; T257-F295 VanDerWaalsContact OG1-CB 3.29Å; T257-F295 WeakPolarHBondContact OG1-CB 3.43Å; T257-F295 WeakPolarHBondContact OG1-CD2 3.17Å; V260-F295 HydrophobicContact CG2-CE2 4.14Å; F273-F295 HydrophobicContact CB-CE1 4Å; F273-F295 HydrophobicContact CB-CZ 3.73Å; F273-F295 HydrophobicContact CG-CZ 4.39Å; Y291-F295 PolarHBondContact O-N 3.34Å; S292-F295 PolarHBondContact O-N 2.84Å; K293-F295 VanDerWaalsContact C-N 3.31Å; K293-F295 PolarHBondContact O-N 3.31Å; F295-E298 PolarHBondContact O-N 3.23Å; F295-L299 HydrophobicContact CD1-CD1 4.04Å; F295-L299 HydrophobicContact CD2-CD1 4.5Å; F295-L299 HydrophobicContact CD2-CG 4.31Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CG 4.28Å; F295-L299 HydrophobicContact CE2-CD1 4.02Å; F295-L299 HydrophobicContact CE2-CD2 4.17Å; F295-L299 HydrophobicContact CE2-CG 3.86Å; F295-L299 HydrophobicContact CZ-CD1 3.51Å; F295-L299 HydrophobicContact CZ-CD2 4.11Å; F295-L299 HydrophobicContact CZ-CG 3.85Å; F295-L299 WeakPolarHBondContact O-CG 3.45Å; F295-L299 PolarHBondContact O-N 2.93Å |
| 296 | V | 93 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.4 | -39.6 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | I277 L281 S292 K293 Q294 E298 L299 Y300 L307 L311 L322 F326 | I277-V296 HydrophobicContact CD1-CG2 4.2Å; I277-V296 HydrophobicContact CG1-CG2 4.18Å; I277-V296 HydrophobicContact CG2-CG2 3.64Å; L281-V296 HydrophobicContact CD1-CG2 4.33Å; L281-V296 HydrophobicContact CD2-CG2 4.36Å; L281-V296 HydrophobicContact CG-CG2 4.46Å; S292-V296 VanDerWaalsContact O-CG2 3.26Å; S292-V296 WeakPolarHBondContact O-CG2 3.31Å; S292-V296 PolarHBondContact O-N 3.24Å; K293-V296 PolarHBondContact O-N 3.07Å; Q294-V296 PolarHBondContact O-N 3.42Å; V296-E298 VanDerWaalsContact C-N 3.34Å; V296-L299 PolarHBondContact O-N 3.25Å; V296-Y300 PolarHBondContact O-N 3.16Å; V296-L307 HydrophobicContact CG1-CD2 4.24Å; V296-L311 HydrophobicContact CG1-CD1 4.06Å; V296-L311 HydrophobicContact CG1-CD2 4.37Å; V296-L322 HydrophobicContact CB-CD2 4.25Å; V296-L322 HydrophobicContact CG1-CD1 4.15Å; V296-L322 HydrophobicContact CG1-CD2 3.83Å; V296-F326 HydrophobicContact CG1-CE1 4.08Å; V296-F326 HydrophobicContact CG1-CZ 3.77Å |
| 297 | I | 92 | Very high | 88.4 | Confident | 30 Ų | 30 | 36.4 Ų | 36.4 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 174.4 | -67.5 | 165.4 | 0 | 0 | 0 | 110.2 | K293 Q294 Y300 K301 E325 I329 | K293-I297 VanDerWaalsContact O-CG1 3.26Å; K293-I297 WeakPolarHBondContact O-CG1 3.44Å; K293-I297 PolarHBondContact O-N 3.17Å; Q294-I297 PolarHBondContact O-N 2.93Å; I297-Y300 WeakPolarHBondContact O-CB 3.39Å; I297-Y300 PolarHBondContact O-N 3.34Å; I297-K301 PolarHBondContact O-N 2.72Å; I297-E325 HydrophobicContact CD1-CB 3.87Å; I297-E325 HydrophobicContact CD1-CG 3.93Å; I297-E325 HydrophobicContact CG1-CB 4.02Å; I297-I329 HydrophobicContact CG2-CD1 3.78Å |
| 298 | E | 92.3 | Very high | 87.8 | Confident | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 177.4 | -168.5 | 57.9 | -146.2 | 0 | 0 | 111.1 | T257 V260 R261 Q294 F295 V296 Y300 K301 W302 | T257-E298 HydrophobicContact CG2-CB 4.01Å; T257-E298 HydrophobicContact CG2-CG 4.25Å; V260-E298 HydrophobicContact CG1-CG 4.41Å; R261-E298 HydrophobicContact CB-CG 4.1Å; Q294-E298 PolarHBondContact O-N 2.94Å; F295-E298 PolarHBondContact O-N 3.23Å; V296-E298 VanDerWaalsContact C-N 3.34Å; E298-Y300 PolarHBondContact O-N 3.07Å; E298-K301 WeakPolarHBondContact O-CB 3.07Å; E298-K301 PolarHBondContact O-N 2.9Å; E298-K301 IonicContact OE2-NZ 3.55Å; E298-K301 PolarHBondContact OE2-NZ 2.64Å; E298-W302 VanDerWaalsContact O-CD1 3.25Å; E298-W302 PolarHBondContact OE1-NE1 3.45Å |
| 299 | L | 89.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.1 | -36.8 | 173.4 | -77.2 | 175.3 | 0 | 0 | 0 | 112.5 | V260 V270 I274 I277 F295 V296 K301 W302 C303 L307 | V260-L299 HydrophobicContact CG1-CD2 4.31Å; V270-L299 HydrophobicContact CB-CD2 3.69Å; V270-L299 HydrophobicContact CG1-CD2 3.6Å; V270-L299 HydrophobicContact CG2-CD2 4.01Å; I274-L299 HydrophobicContact CG1-CD1 4.22Å; I277-L299 HydrophobicContact CD1-CD1 3.78Å; F295-L299 HydrophobicContact CD1-CD1 4.04Å; F295-L299 HydrophobicContact CD2-CD1 4.5Å; F295-L299 HydrophobicContact CD2-CG 4.31Å; F295-L299 HydrophobicContact CE1-CD1 3.52Å; F295-L299 HydrophobicContact CE1-CG 4.28Å; F295-L299 HydrophobicContact CE2-CD1 4.02Å; F295-L299 HydrophobicContact CE2-CD2 4.17Å; F295-L299 HydrophobicContact CE2-CG 3.86Å; F295-L299 HydrophobicContact CZ-CD1 3.51Å; F295-L299 HydrophobicContact CZ-CD2 4.11Å; F295-L299 HydrophobicContact CZ-CG 3.85Å; F295-L299 WeakPolarHBondContact O-CG 3.45Å; F295-L299 PolarHBondContact O-N 2.93Å; V296-L299 PolarHBondContact O-N 3.25Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 3.38Å; L299-W302 PolarHBondContact O-N 2.92Å; L299-C303 WeakPolarHBondContact O-CB 3.3Å; L299-C303 PolarHBondContact O-N 3.35Å; L299-L307 HydrophobicContact CB-CD1 4.48Å; L299-L307 HydrophobicContact CB-CD2 3.73Å |
| 300 | Y | 87.5 | Confident | 85.6 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -35.2 | 178.6 | -173.7 | -95.6 | 0 | 0 | 0 | 112.5 | V296 I297 E298 W302 G304 L307 K308 F326 I329 | V296-Y300 PolarHBondContact O-N 3.16Å; I297-Y300 WeakPolarHBondContact O-CB 3.39Å; I297-Y300 PolarHBondContact O-N 3.34Å; E298-Y300 PolarHBondContact O-N 3.07Å; Y300-W302 PolarHBondContact O-N 2.55Å; Y300-G304 VanDerWaalsContact CD2-O 3.3Å; Y300-G304 WeakPolarHBondContact CD2-O 3.46Å; Y300-G304 VanDerWaalsContact CE2-O 3.26Å; Y300-G304 WeakPolarHBondContact CE2-O 3.33Å; Y300-G304 VanDerWaalsContact O-CA 3.23Å; Y300-G304 WeakPolarHBondContact O-CA 3.48Å; Y300-G304 PolarHBondContact O-N 3.49Å; Y300-L307 HydrophobicContact CD2-CB 4.37Å; Y300-L307 HydrophobicContact CD2-CD2 4.46Å; Y300-K308 HydrophobicContact CE2-CD 4.46Å; Y300-K308 HydrophobicContact CE2-CG 4.04Å; Y300-K308 WeakPolarHBondContact OH-CE 3.5Å; Y300-F326 VanDerWaalsContact CB-CE1 3.43Å; Y300-F326 HydrophobicContact CD1-CB 3.95Å; Y300-F326 AromaticContact CD1-CD1 3.62Å; Y300-F326 HydrophobicContact CD1-CD1 3.62Å; Y300-F326 HydrophobicContact CD1-CE1 4.36Å; Y300-F326 AromaticContact CD1-CG 3.87Å; Y300-F326 HydrophobicContact CD1-CG 3.87Å; Y300-F326 HydrophobicContact CD2-CB 4.36Å; Y300-F326 AromaticContact CD2-CD1 3.67Å; Y300-F326 HydrophobicContact CD2-CD1 3.67Å; Y300-F326 AromaticContact CD2-CD2 3.84Å; Y300-F326 HydrophobicContact CD2-CD2 3.84Å; Y300-F326 AromaticContact CD2-CE1 3.83Å; Y300-F326 HydrophobicContact CD2-CE1 3.83Å; Y300-F326 AromaticContact CD2-CE2 3.98Å; Y300-F326 HydrophobicContact CD2-CE2 3.98Å; Y300-F326 AromaticContact CD2-CG 3.68Å; Y300-F326 HydrophobicContact CD2-CG 3.68Å; Y300-F326 AromaticContact CD2-CZ 3.98Å; Y300-F326 HydrophobicContact CD2-CZ 3.98Å; Y300-F326 HydrophobicContact CE1-CB 3.6Å; Y300-F326 HydrophobicContact CE1-CD1 4.18Å; Y300-F326 AromaticContact CE1-CG 3.95Å; Y300-F326 HydrophobicContact CE1-CG 3.95Å; Y300-F326 HydrophobicContact CE2-CB 4.07Å; Y300-F326 HydrophobicContact CE2-CD1 4.24Å; Y300-F326 AromaticContact CE2-CD2 3.82Å; Y300-F326 HydrophobicContact CE2-CD2 3.82Å; Y300-F326 HydrophobicContact CE2-CE2 4.32Å; Y300-F326 AromaticContact CE2-CG 3.78Å; Y300-F326 HydrophobicContact CE2-CG 3.78Å; Y300-F326 HydrophobicContact CG-CB 4.3Å; Y300-F326 AromaticContact CG-CD1 3.31Å; Y300-F326 HydrophobicContact CG-CD1 3.31Å; Y300-F326 HydrophobicContact CG-CD2 4.33Å; Y300-F326 AromaticContact CG-CE1 3.62Å; Y300-F326 HydrophobicContact CG-CE1 3.62Å; Y300-F326 AromaticContact CG-CG 3.72Å; Y300-F326 HydrophobicContact CG-CG 3.72Å; Y300-F326 HydrophobicContact CG-CZ 4.24Å; Y300-F326 AromaticContact CZ-CG 3.9Å; Y300-I329 HydrophobicContact CD1-CD1 3.58Å; Y300-I329 HydrophobicContact CD1-CG1 3.98Å; Y300-I329 HydrophobicContact CE1-CD1 4.42Å; Y300-I329 HydrophobicContact CE1-CG1 4.35Å; Y300-I329 HydrophobicContact CG-CD1 4.4Å |
| 301 | K | 86.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 33.6 Ų | 33.6 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.7 | -27.7 | 175 | -59.7 | 176.9 | -173.4 | 161.5 | 0 | 112.8 | I297 E298 L299 I329 A334 | I297-K301 PolarHBondContact O-N 2.72Å; E298-K301 WeakPolarHBondContact O-CB 3.07Å; E298-K301 PolarHBondContact O-N 2.9Å; E298-K301 IonicContact OE2-NZ 3.55Å; E298-K301 PolarHBondContact OE2-NZ 2.64Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 3.38Å; K301-I329 HydrophobicContact CG-CD1 3.65Å; K301-A334 HydrophobicContact CB-CB 3.84Å |
| 302 | W | 84.8 | Confident | 84 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -92.9 | -43.5 | 178.9 | -68 | 96.1 | 0 | 0 | 0 | 113.6 | V260 G264 I265 E298 L299 Y300 A334 P336 | V260-W302 HydrophobicContact CG1-CG 4.4Å; V260-W302 WeakPolarHBondContact O-CZ2 3.47Å; V260-W302 PolarHBondContact O-NE1 3.49Å; G264-W302 VanDerWaalsContact CA-CZ3 3.49Å; I265-W302 HydrophobicContact CD1-CB 3.89Å; I265-W302 HydrophobicContact CG1-CB 4.09Å; I265-W302 HydrophobicContact CG1-CE3 4.15Å; I265-W302 HydrophobicContact CG2-CB 3.63Å; I265-W302 HydrophobicContact CG2-CD2 4.24Å; I265-W302 HydrophobicContact CG2-CG 3.82Å; E298-W302 VanDerWaalsContact O-CD1 3.25Å; E298-W302 PolarHBondContact OE1-NE1 3.45Å; L299-W302 PolarHBondContact O-N 2.92Å; Y300-W302 PolarHBondContact O-N 2.55Å; W302-A334 HydrophobicContact CD2-CB 3.65Å; W302-A334 VanDerWaalsContact CE2-CB 3.44Å; W302-A334 HydrophobicContact CE3-CB 4.15Å; W302-A334 HydrophobicContact CG-CB 4.03Å; W302-A334 HydrophobicContact CH2-CB 4.3Å; W302-A334 HydrophobicContact CZ2-CB 3.8Å; W302-A334 HydrophobicContact CZ3-CB 4.45Å; W302-P336 HydrophobicContact CH2-CB 4Å; W302-P336 HydrophobicContact CH2-CG 4.3Å |
| 303 | C | 79.1 | Confident | 83.2 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -92.4 | -16.3 | -173.8 | -66.5 | 0 | 0 | 0 | 0 | 113.4 | L299 A306 L307 | L299-C303 WeakPolarHBondContact O-CB 3.3Å; L299-C303 PolarHBondContact O-N 3.35Å; C303-A306 WeakPolarHBondContact O-CB 3.47Å; C303-A306 PolarHBondContact O-N 3.1Å; C303-L307 HydrophobicContact CB-CB 4.03Å |
| 304 | G | 79.8 | Confident | 82.7 | Confident | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -143 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y300 A306 L307 | Y300-G304 VanDerWaalsContact CD2-O 3.3Å; Y300-G304 WeakPolarHBondContact CD2-O 3.46Å; Y300-G304 VanDerWaalsContact CE2-O 3.26Å; Y300-G304 WeakPolarHBondContact CE2-O 3.33Å; Y300-G304 VanDerWaalsContact O-CA 3.23Å; Y300-G304 WeakPolarHBondContact O-CA 3.48Å; Y300-G304 PolarHBondContact O-N 3.49Å; G304-A306 PolarHBondContact O-N 3.48Å; G304-L307 PolarHBondContact O-N 2.85Å; G304-L307 VanDerWaalsContact O-N 3.16Å |
| 305 | A | 71.9 | Confident | 82.3 | Confident | 54 Ų | 54 | 41 Ų | 41 | 45% | 0.446 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L307 K308 M373 | A305-L307 PolarHBondContact O-N 3.28Å; A305-K308 WeakPolarHBondContact O-CB 3.23Å; A305-K308 PolarHBondContact O-N 3.32Å; A305-K308 VanDerWaalsContact O-N 3.15Å; A305-M373 HydrophobicContact CB-CE 3.95Å |
| 306 | A | 68.4 | Low | 81.7 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | C303 G304 K308 T309 M373 | C303-A306 WeakPolarHBondContact O-CB 3.47Å; C303-A306 PolarHBondContact O-N 3.1Å; G304-A306 PolarHBondContact O-N 3.48Å; A306-K308 PolarHBondContact O-N 3.16Å; A306-T309 PolarHBondContact O-N 3.21Å; A306-T309 PolarHBondContact O-OG1 3.31Å; A306-M373 HydrophobicContact CB-CB 3.78Å; A306-M373 HydrophobicContact CB-CE 3.76Å; A306-M373 HydrophobicContact CB-CG 3.86Å; A306-M373 VanDerWaalsContact N-CE 3.31Å |
| 307 | L | 78.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -31.5 | 178.7 | -170.1 | 66.1 | 0 | 0 | 0 | 111.9 | I274 I277 V296 L299 Y300 C303 G304 A305 T309 Q310 L311 | I274-L307 HydrophobicContact CD1-CD1 4.33Å; I274-L307 HydrophobicContact CG1-CD1 4.42Å; I277-L307 HydrophobicContact CD1-CD1 4.37Å; V296-L307 HydrophobicContact CG1-CD2 4.24Å; L299-L307 HydrophobicContact CB-CD1 4.48Å; L299-L307 HydrophobicContact CB-CD2 3.73Å; Y300-L307 HydrophobicContact CD2-CB 4.37Å; Y300-L307 HydrophobicContact CD2-CD2 4.46Å; C303-L307 HydrophobicContact CB-CB 4.03Å; G304-L307 PolarHBondContact O-N 2.85Å; G304-L307 VanDerWaalsContact O-N 3.16Å; A305-L307 PolarHBondContact O-N 3.28Å; L307-T309 PolarHBondContact O-N 3.42Å; L307-Q310 PolarHBondContact O-N 2.79Å; L307-L311 HydrophobicContact CD2-CD1 4.42Å; L307-L311 HydrophobicContact CG-CD1 4.09Å; L307-L311 HydrophobicContact CG-CG 4.42Å; L307-L311 WeakPolarHBondContact O-CG 3.5Å; L307-L311 PolarHBondContact O-N 3.18Å |
| 308 | K | 80 | Confident | 80.9 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -35.2 | 179.7 | -61.2 | -169.7 | 176.4 | -164.6 | 0 | 112.5 | Y300 A305 A306 Q310 L311 | Y300-K308 HydrophobicContact CE2-CD 4.46Å; Y300-K308 HydrophobicContact CE2-CG 4.04Å; Y300-K308 WeakPolarHBondContact OH-CE 3.5Å; A305-K308 WeakPolarHBondContact O-CB 3.23Å; A305-K308 PolarHBondContact O-N 3.32Å; A305-K308 VanDerWaalsContact O-N 3.15Å; A306-K308 PolarHBondContact O-N 3.16Å; K308-Q310 VanDerWaalsContact C-N 3.25Å; K308-Q310 PolarHBondContact O-N 3.04Å; K308-L311 PolarHBondContact O-N 3.37Å; K308-L311 VanDerWaalsContact O-N 3.15Å |
| 309 | T | 73 | Confident | 80.6 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.1 | -32.9 | 178.3 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | A306 L307 L311 L377 | A306-T309 PolarHBondContact O-N 3.21Å; A306-T309 PolarHBondContact O-OG1 3.31Å; L307-T309 PolarHBondContact O-N 3.42Å; T309-L311 VanDerWaalsContact C-N 3.33Å; T309-L377 HydrophobicContact CG2-CD2 4.42Å; T309-L377 WeakPolarHBondContact OG1-CD2 3.39Å |
| 310 | Q | 71 | Confident | 80.5 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -81.2 | -13 | 178.1 | -63.9 | -67.6 | -6.7 | 0 | 0 | 113 | I274 L307 K308 M376 | I274-Q310 HydrophobicContact CG2-CB 4.06Å; I274-Q310 HydrophobicContact CG2-CG 4.19Å; L307-Q310 PolarHBondContact O-N 2.79Å; K308-Q310 VanDerWaalsContact C-N 3.25Å; K308-Q310 PolarHBondContact O-N 3.04Å; Q310-M376 PolarHBondContact NE2-O 2.58Å |
| 311 | L | 80 | Confident | 80.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.4 | -178.9 | -64.9 | 171.7 | 0 | 0 | 0 | 113.5 | I277 V296 L307 K308 T309 S313 V314 L319 L322 F326 | I277-L311 HydrophobicContact CG2-CD2 3.77Å; V296-L311 HydrophobicContact CG1-CD1 4.06Å; V296-L311 HydrophobicContact CG1-CD2 4.37Å; L307-L311 HydrophobicContact CD2-CD1 4.42Å; L307-L311 HydrophobicContact CG-CD1 4.09Å; L307-L311 HydrophobicContact CG-CG 4.42Å; L307-L311 WeakPolarHBondContact O-CG 3.5Å; L307-L311 PolarHBondContact O-N 3.18Å; K308-L311 PolarHBondContact O-N 3.37Å; K308-L311 VanDerWaalsContact O-N 3.15Å; T309-L311 VanDerWaalsContact C-N 3.33Å; L311-S313 PolarHBondContact O-N 2.97Å; L311-S313 VanDerWaalsContact O-N 3.07Å; L311-V314 HydrophobicContact CB-CG2 4.35Å; L311-V314 HydrophobicContact CD2-CG2 4.08Å; L311-V314 VanDerWaalsContact O-CB 3.24Å; L311-V314 WeakPolarHBondContact O-CB 3.27Å; L311-V314 WeakPolarHBondContact O-CG2 3.31Å; L311-V314 PolarHBondContact O-N 3.23Å; L311-L319 HydrophobicContact CB-CD1 3.78Å; L311-L319 WeakPolarHBondContact O-CD1 3.22Å; L311-L322 HydrophobicContact CD1-CD1 4.48Å; L311-F326 HydrophobicContact CD1-CE2 3.77Å; L311-F326 HydrophobicContact CD1-CZ 3.67Å |
| 312 | Q | 78 | Confident | 80.8 | Confident | 152 Ų | 152 | 55 Ų | 55 | 71% | 0.71 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.9 | -176.1 | -69.2 | -175.1 | -7.1 | 0 | 0 | 114.5 | V314 | Q312-V314 VanDerWaalsContact C-N 3.32Š|
| 313 | S | 77.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 57 Ų | 57 | 57% | 0.566 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.6 | 176.5 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | L311 | L311-S313 PolarHBondContact O-N 2.97Å; L311-S313 VanDerWaalsContact O-N 3.07Å |
| 314 | V | 84.6 | Confident | 81.4 | Confident | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.5 | 141.4 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | L278 L281 L311 Q312 L318 | L278-V314 HydrophobicContact CD1-CB 4.43Å; L278-V314 HydrophobicContact CD1-CG2 3.89Å; L281-V314 HydrophobicContact CD1-CG1 4.38Å; L281-V314 HydrophobicContact CD1-CG2 4.05Å; L311-V314 HydrophobicContact CB-CG2 4.35Å; L311-V314 HydrophobicContact CD2-CG2 4.08Å; L311-V314 VanDerWaalsContact O-CB 3.24Å; L311-V314 WeakPolarHBondContact O-CB 3.27Å; L311-V314 WeakPolarHBondContact O-CG2 3.31Å; L311-V314 PolarHBondContact O-N 3.23Å; Q312-V314 VanDerWaalsContact C-N 3.32Å; V314-L318 HydrophobicContact CG1-CB 3.78Å; V314-L318 HydrophobicContact CG1-CD2 3.69Å; V314-L318 HydrophobicContact CG1-CG 3.82Å |
| 315 | R | 85.6 | Confident | 81.9 | Confident | 152 Ų | 152 | 63.9 Ų | 63.9 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | trans | -53.8 | 137.1 | 179.8 | -62.3 | 178 | -150 | 179.9 | 3.3 | 110.8 | E282 I317 L318 L319 | E282-R315 WeakPolarHBondContact OE1-CG 3.42Å; E282-R315 IonicContact OE1-CZ 3.68Å; E282-R315 IonicContact OE1-NE 2.7Å; E282-R315 PolarHBondContact OE1-NE 2.93Å; E282-R315 IonicContact OE1-NH2 2.72Å; E282-R315 PolarHBondContact OE1-NH2 3.31Å; E282-R315 IonicContact OE2-CZ 3.16Å; E282-R315 IonicContact OE2-NE 3.37Å; E282-R315 IonicContact OE2-NH2 2.96Å; E282-R315 PolarHBondContact OE2-NH2 3.16Å; R315-I317 PolarHBondContact O-N 3.42Å; R315-L318 PolarHBondContact O-N 2.81Å; R315-L319 PolarHBondContact O-N 3.33Å | ||
| 316 | P | 83.4 | Confident | 82.8 | Confident | 108 Ų | 108 | 61.4 Ų | 61.4 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.2 | -35.4 | -171.9 | -29.5 | 34.3 | 0 | 0 | 0 | 115.4 | L319 A320 | P316-L319 PolarHBondContact O-N 3.18Å; P316-A320 WeakPolarHBondContact O-CB 3.33Å; P316-A320 PolarHBondContact O-N 3.41Å |
| 317 | I | 83.9 | Confident | 83.5 | Confident | 133 Ų | 133 | 64.9 Ų | 64.9 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -48 | 177.7 | -61.6 | 171.3 | 0 | 0 | 0 | 110.7 | R315 L319 A320 E321 | R315-I317 PolarHBondContact O-N 3.42Å; I317-L319 VanDerWaalsContact C-N 3.33Å; I317-A320 PolarHBondContact O-N 3.36Å; I317-E321 WeakPolarHBondContact O-CG 3.47Å; I317-E321 PolarHBondContact O-N 2.83Å; I317-E321 VanDerWaalsContact O-N 3.1Å |
| 318 | L | 84.2 | Confident | 83.9 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.5 | -33 | 179.9 | -173.6 | 64.1 | 0 | 0 | 0 | 111.5 | L281 V314 R315 E321 L322 | L281-L318 HydrophobicContact CB-CD2 3.87Å; L281-L318 HydrophobicContact CD1-CD2 4.21Å; L281-L318 HydrophobicContact CD2-CD2 4.36Å; L281-L318 HydrophobicContact CG-CD2 4.39Å; V314-L318 HydrophobicContact CG1-CB 3.78Å; V314-L318 HydrophobicContact CG1-CD2 3.69Å; V314-L318 HydrophobicContact CG1-CG 3.82Å; R315-L318 PolarHBondContact O-N 2.81Å; L318-E321 WeakPolarHBondContact CD1-OE2 3.22Å; L318-E321 PolarHBondContact O-N 3.22Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.45Å |
| 319 | L | 86 | Confident | 83.8 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 172.3 | -169 | 74.3 | 0 | 0 | 0 | 111.2 | L311 R315 P316 I317 L322 E323 | L311-L319 HydrophobicContact CB-CD1 3.78Å; L311-L319 WeakPolarHBondContact O-CD1 3.22Å; R315-L319 PolarHBondContact O-N 3.33Å; P316-L319 PolarHBondContact O-N 3.18Å; I317-L319 VanDerWaalsContact C-N 3.33Å; L319-L322 PolarHBondContact O-N 3.49Å; L319-E323 WeakPolarHBondContact O-CB 3.49Å; L319-E323 WeakPolarHBondContact O-CG 3.22Å; L319-E323 PolarHBondContact O-N 3.41Å |
| 320 | A | 86.8 | Confident | 83.3 | Confident | 53 Ų | 53 | 69.1 Ų | 69.1 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P316 I317 L322 E323 E324 | P316-A320 WeakPolarHBondContact O-CB 3.33Å; P316-A320 PolarHBondContact O-N 3.41Å; I317-A320 PolarHBondContact O-N 3.36Å; A320-L322 VanDerWaalsContact C-N 3.35Å; A320-L322 PolarHBondContact O-N 3.45Å; A320-E323 PolarHBondContact O-N 3.2Å; A320-E324 PolarHBondContact O-N 3.34Å |
| 321 | E | 89.5 | Confident | 83 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.4 | -70.5 | 175.1 | -175.6 | 0 | 0 | 111.8 | K293 I317 L318 E324 E325 | K293-E321 WeakPolarHBondContact CE-OE2 2.88Å; K293-E321 IonicContact NZ-OE2 2.74Å; K293-E321 PolarHBondContact NZ-OE2 3.17Å; I317-E321 WeakPolarHBondContact O-CG 3.47Å; I317-E321 PolarHBondContact O-N 2.83Å; I317-E321 VanDerWaalsContact O-N 3.1Å; L318-E321 WeakPolarHBondContact CD1-OE2 3.22Å; L318-E321 PolarHBondContact O-N 3.22Å; E321-E324 PolarHBondContact O-N 3.08Å; E321-E325 PolarHBondContact O-N 2.69Å |
| 322 | L | 91 | Very high | 82.2 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 175.9 | -72.9 | 170.1 | 0 | 0 | 0 | 111.8 | L281 K293 V296 L311 L318 L319 A320 E324 E325 F326 | L281-L322 HydrophobicContact CD1-CD1 4.08Å; K293-L322 HydrophobicContact CG-CD2 4.44Å; V296-L322 HydrophobicContact CB-CD2 4.25Å; V296-L322 HydrophobicContact CG1-CD1 4.15Å; V296-L322 HydrophobicContact CG1-CD2 3.83Å; L311-L322 HydrophobicContact CD1-CD1 4.48Å; L318-L322 WeakPolarHBondContact O-CG 3.44Å; L318-L322 PolarHBondContact O-N 3.45Å; L319-L322 PolarHBondContact O-N 3.49Å; A320-L322 VanDerWaalsContact C-N 3.35Å; A320-L322 PolarHBondContact O-N 3.45Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-E324 PolarHBondContact O-N 2.85Å; L322-E325 PolarHBondContact O-N 3.27Å; L322-F326 HydrophobicContact CB-CE1 4.48Å; L322-F326 HydrophobicContact CB-CE2 3.95Å; L322-F326 HydrophobicContact CB-CZ 3.92Å; L322-F326 HydrophobicContact CD2-CZ 4.45Å; L322-F326 WeakPolarHBondContact O-CB 3.44Å; L322-F326 WeakPolarHBondContact O-CD1 3.47Å; L322-F326 VanDerWaalsContact O-CD2 3.25Å; L322-F326 WeakPolarHBondContact O-CD2 3.34Å; L322-F326 WeakPolarHBondContact O-CG 3.1Å; L322-F326 PolarHBondContact O-N 3.19Å |
| 323 | E | 87.3 | Confident | 81.4 | Confident | 81 Ų | 81 | 74.8 Ų | 74.8 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 176.8 | -77.2 | -176.5 | 155.6 | 0 | 0 | 112.8 | L319 A320 F326 S327 | L319-E323 WeakPolarHBondContact O-CB 3.49Å; L319-E323 WeakPolarHBondContact O-CG 3.22Å; L319-E323 PolarHBondContact O-N 3.41Å; A320-E323 PolarHBondContact O-N 3.2Å; E323-F326 HydrophobicContact CG-CD2 4.43Å; E323-F326 PolarHBondContact O-N 3.4Å; E323-S327 WeakPolarHBondContact O-CB 3.5Å; E323-S327 PolarHBondContact O-N 2.76Å; E323-S327 PolarHBondContact O-OG 3.26Å |
| 324 | E | 89.8 | Confident | 81.1 | Confident | 113 Ų | 113 | 72.2 Ų | 72.2 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 171 | -165.4 | -163.9 | 137.3 | 0 | 0 | 110.7 | A320 E321 L322 S327 K328 | A320-E324 PolarHBondContact O-N 3.34Å; E321-E324 PolarHBondContact O-N 3.08Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-E324 PolarHBondContact O-N 2.85Å; E324-S327 WeakPolarHBondContact O-CB 3.32Å; E324-S327 PolarHBondContact O-N 3.43Å; E324-K328 WeakPolarHBondContact O-CG 3.34Å; E324-K328 PolarHBondContact O-N 2.91Å; E324-K328 WeakPolarHBondContact OE1-CE 3.42Å; E324-K328 IonicContact OE1-NZ 3.24Å; E324-K328 PolarHBondContact OE1-NZ 2.94Å |
| 325 | E | 89.4 | Confident | 80.7 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176 | -68.8 | -58.3 | 132.8 | 0 | 0 | 112.3 | I297 E321 L322 S327 K328 I329 | I297-E325 HydrophobicContact CD1-CB 3.87Å; I297-E325 HydrophobicContact CD1-CG 3.93Å; I297-E325 HydrophobicContact CG1-CB 4.02Å; E321-E325 PolarHBondContact O-N 2.69Å; L322-E325 PolarHBondContact O-N 3.27Å; E325-S327 PolarHBondContact O-N 3.29Å; E325-K328 WeakPolarHBondContact O-CB 3.47Å; E325-K328 PolarHBondContact O-N 2.89Å; E325-K328 VanDerWaalsContact O-N 3.09Å; E325-K328 IonicContact OE1-NZ 2.94Å; E325-K328 PolarHBondContact OE1-NZ 3.02Å; E325-I329 PolarHBondContact O-N 3.46Å |
| 326 | F | 90.7 | Very high | 80.5 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 0% | 0.004 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -33.9 | 175.2 | -64.7 | -20.2 | 0 | 0 | 0 | 112.5 | V296 Y300 L311 L322 E323 K328 I329 S330 | V296-F326 HydrophobicContact CG1-CE1 4.08Å; V296-F326 HydrophobicContact CG1-CZ 3.77Å; Y300-F326 VanDerWaalsContact CB-CE1 3.43Å; Y300-F326 HydrophobicContact CD1-CB 3.95Å; Y300-F326 AromaticContact CD1-CD1 3.62Å; Y300-F326 HydrophobicContact CD1-CD1 3.62Å; Y300-F326 HydrophobicContact CD1-CE1 4.36Å; Y300-F326 AromaticContact CD1-CG 3.87Å; Y300-F326 HydrophobicContact CD1-CG 3.87Å; Y300-F326 HydrophobicContact CD2-CB 4.36Å; Y300-F326 AromaticContact CD2-CD1 3.67Å; Y300-F326 HydrophobicContact CD2-CD1 3.67Å; Y300-F326 AromaticContact CD2-CD2 3.84Å; Y300-F326 HydrophobicContact CD2-CD2 3.84Å; Y300-F326 AromaticContact CD2-CE1 3.83Å; Y300-F326 HydrophobicContact CD2-CE1 3.83Å; Y300-F326 AromaticContact CD2-CE2 3.98Å; Y300-F326 HydrophobicContact CD2-CE2 3.98Å; Y300-F326 AromaticContact CD2-CG 3.68Å; Y300-F326 HydrophobicContact CD2-CG 3.68Å; Y300-F326 AromaticContact CD2-CZ 3.98Å; Y300-F326 HydrophobicContact CD2-CZ 3.98Å; Y300-F326 HydrophobicContact CE1-CB 3.6Å; Y300-F326 HydrophobicContact CE1-CD1 4.18Å; Y300-F326 AromaticContact CE1-CG 3.95Å; Y300-F326 HydrophobicContact CE1-CG 3.95Å; Y300-F326 HydrophobicContact CE2-CB 4.07Å; Y300-F326 HydrophobicContact CE2-CD1 4.24Å; Y300-F326 AromaticContact CE2-CD2 3.82Å; Y300-F326 HydrophobicContact CE2-CD2 3.82Å; Y300-F326 HydrophobicContact CE2-CE2 4.32Å; Y300-F326 AromaticContact CE2-CG 3.78Å; Y300-F326 HydrophobicContact CE2-CG 3.78Å; Y300-F326 HydrophobicContact CG-CB 4.3Å; Y300-F326 AromaticContact CG-CD1 3.31Å; Y300-F326 HydrophobicContact CG-CD1 3.31Å; Y300-F326 HydrophobicContact CG-CD2 4.33Å; Y300-F326 AromaticContact CG-CE1 3.62Å; Y300-F326 HydrophobicContact CG-CE1 3.62Å; Y300-F326 AromaticContact CG-CG 3.72Å; Y300-F326 HydrophobicContact CG-CG 3.72Å; Y300-F326 HydrophobicContact CG-CZ 4.24Å; Y300-F326 AromaticContact CZ-CG 3.9Å; L311-F326 HydrophobicContact CD1-CE2 3.77Å; L311-F326 HydrophobicContact CD1-CZ 3.67Å; L322-F326 HydrophobicContact CB-CE1 4.48Å; L322-F326 HydrophobicContact CB-CE2 3.95Å; L322-F326 HydrophobicContact CB-CZ 3.92Å; L322-F326 HydrophobicContact CD2-CZ 4.45Å; L322-F326 WeakPolarHBondContact O-CB 3.44Å; L322-F326 WeakPolarHBondContact O-CD1 3.47Å; L322-F326 VanDerWaalsContact O-CD2 3.25Å; L322-F326 WeakPolarHBondContact O-CD2 3.34Å; L322-F326 WeakPolarHBondContact O-CG 3.1Å; L322-F326 PolarHBondContact O-N 3.19Å; E323-F326 HydrophobicContact CG-CD2 4.43Å; E323-F326 PolarHBondContact O-N 3.4Å; F326-K328 VanDerWaalsContact C-N 3.34Å; F326-I329 WeakPolarHBondContact O-CG1 3.13Å; F326-I329 PolarHBondContact O-N 2.91Å; F326-S330 PolarHBondContact O-N 2.85Å |
| 327 | S | 84 | Confident | 80.5 | Confident | 80 Ų | 80 | 72.2 Ų | 72.2 | 56% | 0.559 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70 | -32.6 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | E323 E324 E325 I329 S330 | E323-S327 WeakPolarHBondContact O-CB 3.5Å; E323-S327 PolarHBondContact O-N 2.76Å; E323-S327 PolarHBondContact O-OG 3.26Å; E324-S327 WeakPolarHBondContact O-CB 3.32Å; E324-S327 PolarHBondContact O-N 3.43Å; E325-S327 PolarHBondContact O-N 3.29Å; S327-I329 VanDerWaalsContact C-N 3.28Å; S327-I329 PolarHBondContact O-N 3.02Å; S327-S330 PolarHBondContact O-OG 3.27Å |
| 328 | K | 85.6 | Confident | 80.5 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.1 | -26.7 | 175.3 | -65 | 170 | -168.8 | 166.6 | 0 | 113 | E324 E325 F326 | E324-K328 WeakPolarHBondContact O-CG 3.34Å; E324-K328 PolarHBondContact O-N 2.91Å; E324-K328 WeakPolarHBondContact OE1-CE 3.42Å; E324-K328 IonicContact OE1-NZ 3.24Å; E324-K328 PolarHBondContact OE1-NZ 2.94Å; E325-K328 WeakPolarHBondContact O-CB 3.47Å; E325-K328 PolarHBondContact O-N 2.89Å; E325-K328 VanDerWaalsContact O-N 3.09Å; E325-K328 IonicContact OE1-NZ 2.94Å; E325-K328 PolarHBondContact OE1-NZ 3.02Å; F326-K328 VanDerWaalsContact C-N 3.34Å |
| 329 | I | 78.9 | Confident | 80.4 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 1.4 | -179.5 | 58.5 | 169.6 | 0 | 0 | 0 | 114.1 | I297 Y300 K301 E325 F326 S327 G331 Q332 | I297-I329 HydrophobicContact CG2-CD1 3.78Å; Y300-I329 HydrophobicContact CD1-CD1 3.58Å; Y300-I329 HydrophobicContact CD1-CG1 3.98Å; Y300-I329 HydrophobicContact CE1-CD1 4.42Å; Y300-I329 HydrophobicContact CE1-CG1 4.35Å; Y300-I329 HydrophobicContact CG-CD1 4.4Å; K301-I329 HydrophobicContact CG-CD1 3.65Å; E325-I329 PolarHBondContact O-N 3.46Å; F326-I329 WeakPolarHBondContact O-CG1 3.13Å; F326-I329 PolarHBondContact O-N 2.91Å; S327-I329 VanDerWaalsContact C-N 3.28Å; S327-I329 PolarHBondContact O-N 3.02Å; I329-G331 PolarHBondContact O-N 3.04Å; I329-Q332 PolarHBondContact O-N 2.93Å; I329-Q332 VanDerWaalsContact O-N 3.1Å |
| 330 | S | 62.9 | Low | 80.3 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 60% | 0.601 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 120.5 | -177.2 | 83.2 | 0 | 0 | 0 | 0 | 110.8 | F326 S327 | F326-S330 PolarHBondContact O-N 2.85Å; S327-S330 PolarHBondContact O-OG 3.27Å |
| 331 | G | 62.9 | Low | 80.1 | Confident | 76 Ų | 76 | 69.8 Ų | 69.8 | 78% | 0.784 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.4 | -9.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | I329 N333 | I329-G331 PolarHBondContact O-N 3.04Å; G331-N333 PolarHBondContact O-N 2.99Å |
| 332 | Q | 64.4 | Low | 79.4 | Confident | 120 Ų | 120 | 68 Ų | 68 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | trans | -83.3 | 113 | 170.1 | -64.9 | -178.5 | 6.8 | 0 | 0 | 109.6 | I329 | I329-Q332 PolarHBondContact O-N 2.93Å; I329-Q332 VanDerWaalsContact O-N 3.1Å | ||
| 333 | N | 60.3 | Low | 78.7 | Confident | 127 Ų | 127 | 71 Ų | 71 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | trans | -83.5 | 122 | 172.5 | -67 | -25.6 | 0 | 0 | 0 | 109 | G331 | G331-N333 PolarHBondContact O-N 2.99Š| ||
| 334 | A | 72.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 22% | 0.223 | 41% | 0.408 | C | S | . | . | trans | -71.6 | 132.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | K301 W302 | K301-A334 HydrophobicContact CB-CB 3.84Å; W302-A334 HydrophobicContact CD2-CB 3.65Å; W302-A334 VanDerWaalsContact CE2-CB 3.44Å; W302-A334 HydrophobicContact CE3-CB 4.15Å; W302-A334 HydrophobicContact CG-CB 4.03Å; W302-A334 HydrophobicContact CH2-CB 4.3Å; W302-A334 HydrophobicContact CZ2-CB 3.8Å; W302-A334 HydrophobicContact CZ3-CB 4.45Å | ||
| 335 | T | 75.8 | Confident | 76.8 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 63% | 0.632 | 41% | 0.412 | S | S | * | . | trans | -118.2 | 140.6 | 170.9 | 37.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 336 | P | 81.9 | Confident | 75.4 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | trans | -67.8 | 140.3 | -179.7 | 26.3 | -29.5 | 0 | 0 | 0 | 109.5 | D262 W302 | D262-P336 CarbonylContact O-C 3.49Å; D262-P336 WeakPolarHBondContact O-CA 2.95Å; D262-P336 WeakPolarHBondContact O-CB 3.14Å; W302-P336 HydrophobicContact CH2-CB 4Å; W302-P336 HydrophobicContact CH2-CG 4.3Å | ||
| 337 | T | 82.5 | Confident | 73.8 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 62% | 0.62 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -95.8 | -12.1 | 178.3 | 43.5 | 0 | 0 | 0 | 0 | 113.1 | D262 | D262-T337 WeakPolarHBondContact CA-OG1 3.34Å; D262-T337 PolarHBondContact O-N 2.69Å |
| 338 | R | 83.8 | Confident | 72.4 | Confident | 75 Ų | 75 | 80.7 Ų | 80.7 | 28% | 0.283 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -129 | 147.4 | 173.9 | -62.6 | -173.3 | -178.8 | -139.8 | 1.6 | 109.9 | E226 D262 F263 | E226-R338 WeakPolarHBondContact OE1-CD 3.42Å; E226-R338 IonicContact OE1-CZ 2.72Å; E226-R338 IonicContact OE1-NE 2.94Å; E226-R338 IonicContact OE1-NH1 3.02Å; E226-R338 PolarHBondContact OE1-NH1 2.81Å; D262-R338 HydrophobicContact CB-CB 4.32Å; D262-R338 HydrophobicContact CB-CG 4.06Å; D262-R338 PolarHBondContact O-N 3.43Å; D262-R338 VanDerWaalsContact O-O 3.12Å; D262-R338 IonicContact OD2-NE 2.68Å; D262-R338 PolarHBondContact OD2-NE 3.13Å; F263-R338 HydrophobicContact CD1-CB 4.15Å; F263-R338 HydrophobicContact CE1-CB 3.68Å; F263-R338 HydrophobicContact CE2-CB 4.4Å; F263-R338 HydrophobicContact CZ-CB 3.81Å; F263-R338 HydrophobicContact CZ-CG 4.43Å |
| 339 | C | 81.4 | Confident | 70.8 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | trans | -115.3 | 156.3 | 176.9 | -51 | 0 | 0 | 0 | 0 | 110.1 | E343 R344 | C339-E343 HydrophobicContact CB-CB 4.22Å; C339-R344 HydrophobicContact CB-CG 4.32Å | ||
| 340 | L | 85.6 | Confident | 69.2 | Low | 13 Ų | 13 | 83.2 Ų | 83.2 | 7% | 0.068 | 47% | 0.47 | C | S | . | . | trans | -66.9 | 155.7 | 171.6 | -60.5 | 173.5 | 0 | 0 | 0 | 110.7 | V225 F263 N267 S342 E343 R344 | V225-L340 HydrophobicContact CG1-CD2 4.3Å; V225-L340 WeakPolarHBondContact O-CD2 3.21Å; F263-L340 HydrophobicContact CD1-CD2 4.36Å; N267-L340 HydrophobicContact CB-CD1 4.05Å; N267-L340 HydrophobicContact CB-CD2 4.44Å; N267-L340 HydrophobicContact CB-CG 4.26Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3.43Å; L340-E343 HydrophobicContact CB-CB 4.43Å; L340-E343 HydrophobicContact CB-CG 4.07Å; L340-E343 PolarHBondContact N-OE2 2.93Å; L340-E343 PolarHBondContact O-N 3.16Å; L340-R344 PolarHBondContact O-N 3.41Å; L340-R344 VanDerWaalsContact O-N 3.08Å | ||
| 341 | R | 81.2 | Confident | 68.5 | Low | 58 Ų | 58 | 82.2 Ų | 82.2 | 22% | 0.219 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.5 | -36.2 | 177.7 | -82.2 | -171.1 | -177.2 | 176.4 | -1 | 113.1 | D185 E226 V227 R344 K345 | D185-R341 VanDerWaalsContact O-CZ 3.28Å; D185-R341 PolarHBondContact O-NH1 3.49Å; D185-R341 PolarHBondContact O-NH2 2.84Å; D185-R341 IonicContact OD1-CZ 2.74Å; D185-R341 IonicContact OD1-NH2 3.54Å; D185-R341 PolarHBondContact OD1-NH2 2.69Å; E226-R341 PolarHBondContact O-N 2.92Å; V227-R341 VanDerWaalsContact CG1-CZ 3.47Å; R341-R344 PolarHBondContact O-N 3.47Å; R341-K345 WeakPolarHBondContact O-CG 3.48Å; R341-K345 PolarHBondContact O-N 3.09Å; R341-K345 VanDerWaalsContact O-N 3.12Å |
| 342 | S | 76.3 | Confident | 67.6 | Low | 42 Ų | 42 | 82.5 Ų | 82.5 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.7 | 48 | 0 | 0 | 0 | 0 | 112.6 | E228 L340 R344 K345 L346 | E228-S342 WeakPolarHBondContact OE1-CB 3.31Å; E228-S342 PolarHBondContact OE1-OG 3.49Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3.43Å; S342-R344 VanDerWaalsContact C-N 3.34Å; S342-R344 PolarHBondContact O-N 3.45Å; S342-K345 PolarHBondContact O-N 2.81Å; S342-L346 WeakPolarHBondContact O-CG 3.2Å; S342-L346 PolarHBondContact O-N 3.15Å |
| 343 | E | 74.8 | Confident | 66.7 | Low | 63 Ų | 63 | 79.9 Ų | 79.9 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.5 | -66.3 | 175.3 | 147.5 | 0 | 0 | 111.2 | N267 C339 L340 L346 S347 | N267-E343 PolarHBondContact ND2-OE1 3.15Å; N267-E343 VanDerWaalsContact ND2-OE1 3.12Å; N267-E343 PolarHBondContact ND2-OE2 3.47Å; N267-E343 VanDerWaalsContact ND2-OE2 3.14Å; C339-E343 HydrophobicContact CB-CB 4.22Å; L340-E343 HydrophobicContact CB-CB 4.43Å; L340-E343 HydrophobicContact CB-CG 4.07Å; L340-E343 PolarHBondContact N-OE2 2.93Å; L340-E343 PolarHBondContact O-N 3.16Å; E343-L346 PolarHBondContact O-N 3.28Å; E343-S347 PolarHBondContact O-N 3.34Å |
| 344 | R | 71.7 | Confident | 65.5 | Low | 132 Ų | 132 | 79.5 Ų | 79.5 | 50% | 0.498 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 172.8 | -78.2 | -174.3 | -178.2 | 163.6 | 4.9 | 112 | C339 L340 R341 S342 L346 S347 V348 | C339-R344 HydrophobicContact CB-CG 4.32Å; L340-R344 PolarHBondContact O-N 3.41Å; L340-R344 VanDerWaalsContact O-N 3.08Å; R341-R344 PolarHBondContact O-N 3.47Å; S342-R344 VanDerWaalsContact C-N 3.34Å; S342-R344 PolarHBondContact O-N 3.45Å; R344-L346 VanDerWaalsContact C-N 3.29Å; R344-L346 PolarHBondContact O-N 3.5Å; R344-S347 PolarHBondContact O-N 3.17Å; R344-S347 PolarHBondContact O-OG 3.25Å; R344-V348 WeakPolarHBondContact O-CG2 3.2Å; R344-V348 PolarHBondContact O-N 3.18Å |
| 345 | K | 65.7 | Low | 63.7 | Low | 140 Ų | 140 | 87 Ų | 87 | 61% | 0.609 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.4 | -38.6 | 178.3 | -73 | 179.4 | -178.2 | 180 | 0 | 112 | R341 S342 A349 | R341-K345 WeakPolarHBondContact O-CG 3.48Å; R341-K345 PolarHBondContact O-N 3.09Å; R341-K345 VanDerWaalsContact O-N 3.12Å; S342-K345 PolarHBondContact O-N 2.81Å; K345-A349 WeakPolarHBondContact O-CB 3.36Å; K345-A349 PolarHBondContact O-N 3.07Å |
| 346 | L | 61.3 | Low | 61.8 | Low | 114 Ų | 114 | 87.6 Ų | 87.6 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 175.6 | -74.8 | 164.7 | 0 | 0 | 0 | 112.2 | S342 E343 R344 V348 A349 Q350 | S342-L346 WeakPolarHBondContact O-CG 3.2Å; S342-L346 PolarHBondContact O-N 3.15Å; E343-L346 PolarHBondContact O-N 3.28Å; R344-L346 VanDerWaalsContact C-N 3.29Å; R344-L346 PolarHBondContact O-N 3.5Å; L346-V348 PolarHBondContact O-N 3.21Å; L346-A349 PolarHBondContact O-N 3.02Å; L346-Q350 WeakPolarHBondContact O-CG 3.11Å; L346-Q350 PolarHBondContact O-N 3.46Å |
| 347 | S | 56.1 | Low | 59.3 | Low | 64 Ų | 64 | 88.1 Ų | 88.1 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | E343 R344 Q350 A351 | E343-S347 PolarHBondContact O-N 3.34Å; R344-S347 PolarHBondContact O-N 3.17Å; R344-S347 PolarHBondContact O-OG 3.25Å; S347-Q350 PolarHBondContact O-N 3.44Å; S347-A351 PolarHBondContact O-N 2.96Å |
| 348 | V | 55.5 | Low | 56.7 | Low | 98 Ų | 98 | 92.2 Ų | 92.2 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.4 | -39.1 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | R344 L346 Q350 A351 S352 | R344-V348 WeakPolarHBondContact O-CG2 3.2Å; R344-V348 PolarHBondContact O-N 3.18Å; L346-V348 PolarHBondContact O-N 3.21Å; V348-Q350 VanDerWaalsContact C-N 3.31Å; V348-Q350 PolarHBondContact O-N 3.49Å; V348-A351 PolarHBondContact O-N 3.04Å; V348-S352 PolarHBondContact O-N 3.44Å; V348-S352 PolarHBondContact O-OG 3.14Å |
| 349 | A | 50.8 | Low | 53.9 | Low | 55 Ų | 55 | 98.2 Ų | 98.2 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K345 L346 S352 A353 | K345-A349 WeakPolarHBondContact O-CB 3.36Å; K345-A349 PolarHBondContact O-N 3.07Å; L346-A349 PolarHBondContact O-N 3.02Å; A349-S352 PolarHBondContact O-OG 3.13Å; A349-A353 PolarHBondContact O-N 3.12Å |
| 350 | Q | 45.3 | Very low | 51.4 | Low | 135 Ų | 135 | 104.5 Ų | 104.5 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -43.5 | 174.4 | -77.1 | 175 | -40.5 | 0 | 0 | 112.2 | L346 S347 V348 S352 A353 | L346-Q350 WeakPolarHBondContact O-CG 3.11Å; L346-Q350 PolarHBondContact O-N 3.46Å; S347-Q350 PolarHBondContact O-N 3.44Å; V348-Q350 VanDerWaalsContact C-N 3.31Å; V348-Q350 PolarHBondContact O-N 3.49Å; Q350-S352 VanDerWaalsContact C-N 3.34Å; Q350-S352 PolarHBondContact O-N 3.23Å; Q350-A353 PolarHBondContact O-N 3.03Å |
| 351 | A | 49.1 | Very low | 48.5 | Very low | 65 Ų | 65 | 113 Ų | 113 | 54% | 0.537 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.5 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S347 V348 A353 D354 | S347-A351 PolarHBondContact O-N 2.96Å; V348-A351 PolarHBondContact O-N 3.04Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.24Å; A351-D354 PolarHBondContact O-N 3.43Å |
| 352 | S | 44.4 | Very low | 45.7 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.4 | -19.4 | 178.5 | 62.7 | 0 | 0 | 0 | 0 | 114.5 | V348 A349 Q350 | V348-S352 PolarHBondContact O-N 3.44Å; V348-S352 PolarHBondContact O-OG 3.14Å; A349-S352 PolarHBondContact O-OG 3.13Å; Q350-S352 VanDerWaalsContact C-N 3.34Å; Q350-S352 PolarHBondContact O-N 3.23Å |
| 353 | A | 44.4 | Very low | 43.3 | Very low | 66 Ų | 66 | 126.2 Ų | 126.2 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -79.8 | -23.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | A349 Q350 A351 | A349-A353 PolarHBondContact O-N 3.12Å; Q350-A353 PolarHBondContact O-N 3.03Å; A351-A353 VanDerWaalsContact C-N 3.33Å; A351-A353 PolarHBondContact O-N 3.24Å |
| 354 | D | 35.2 | Very low | 40.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -94 | -5.8 | -171.9 | -80.6 | -18.6 | 0 | 0 | 0 | 115.1 | A351 S356 A357 | A351-D354 PolarHBondContact O-N 3.43Å; D354-S356 PolarHBondContact O-N 3.26Å; D354-A357 PolarHBondContact O-N 3.41Å; D354-A357 VanDerWaalsContact O-N 3.15Å |
| 355 | E | 35.9 | Very low | 38.8 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -3.8 | 172.9 | -76.9 | -166.8 | 160.9 | 0 | 0 | 113.7 | ||
| 356 | S | 35.1 | Very low | 37.1 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 1.5 | 174.5 | -51 | 0 | 0 | 0 | 0 | 114.8 | D354 | D354-S356 PolarHBondContact O-N 3.26Š|
| 357 | A | 29.8 | Very low | 35.5 | Very low | 74 Ų | 74 | 132 Ų | 132 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | trans | -139.5 | 71.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D354 F359 | D354-A357 PolarHBondContact O-N 3.41Å; D354-A357 VanDerWaalsContact O-N 3.15Å; A357-F359 PolarHBondContact O-N 3.4Å; A357-F359 VanDerWaalsContact O-N 3.1Å | ||
| 358 | H | 27.9 | Very low | 34.5 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | -68.3 | 100.2 | 162.9 | -110.2 | -21.7 | 0 | 0 | 0 | 109.8 | ||||
| 359 | F | 25 | Very low | 33.6 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | trans | -156 | 124.1 | 142.4 | -97.1 | -72.6 | 0 | 0 | 0 | 110.3 | A357 | A357-F359 PolarHBondContact O-N 3.4Å; A357-F359 VanDerWaalsContact O-N 3.1Å | ||
| 360 | Q | 28.6 | Very low | 33.1 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -33 | 122.7 | 179.8 | -64 | 160.4 | -3.6 | 0 | 0 | 115.6 | ||||
| 361 | Q | 23.6 | Very low | 33.2 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | trans | -153.9 | 138.5 | 147.4 | -119.2 | 170.6 | 11.6 | 0 | 0 | 111.7 | ||||
| 362 | E | 23.9 | Very low | 33.7 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -60.5 | 150 | -167.2 | -65.3 | 161.3 | 146.2 | 0 | 0 | 113.9 | Q364 | E362-Q364 PolarHBondContact O-N 2.88Š| ||
| 363 | E | 25.6 | Very low | 34.3 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -47.1 | 91.3 | 176.5 | -68.1 | 176.8 | 142.9 | 0 | 0 | 112.4 | S365 | E363-S365 VanDerWaalsContact C-N 3.31Å; E363-S365 PolarHBondContact O-N 3.34Å | ||
| 364 | Q | 24 | Very low | 35.5 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -74 | 92.7 | 161 | -79.1 | -177.5 | 0.6 | 0 | 0 | 107.9 | E362 A366 | E362-Q364 PolarHBondContact O-N 2.88Å; Q364-A366 PolarHBondContact O-N 3.04Å | ||
| 365 | S | 28.6 | Very low | 37.1 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -43.7 | 109.9 | 165.4 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | E363 E367 | E363-S365 VanDerWaalsContact C-N 3.31Å; E363-S365 PolarHBondContact O-N 3.34Å; S365-E367 PolarHBondContact O-N 2.85Å; S365-E367 VanDerWaalsContact O-N 3.09Å | ||
| 366 | A | 30.1 | Very low | 38.4 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -56.7 | 113.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q364 | Q364-A366 PolarHBondContact O-N 3.04Š| ||
| 367 | E | 26.7 | Very low | 39.9 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 85% | 0.846 | 65% | 0.647 | S | S | * | * | trans | -58.1 | 125 | 175.5 | -76.2 | -169.5 | 145.8 | 0 | 0 | 109.4 | S365 E369 | S365-E367 PolarHBondContact O-N 2.85Å; S365-E367 VanDerWaalsContact O-N 3.09Å; E367-E369 PolarHBondContact O-N 3.3Å | ||
| 368 | P | 35 | Very low | 41.9 | Very low | 87 Ų | 87 | 128.5 Ų | 128.5 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | trans | -64.3 | 122.6 | -178.8 | 22.5 | -30.4 | 0 | 0 | 0 | 110.6 | K370 | P368-K370 PolarHBondContact O-N 2.96Š| ||
| 369 | E | 36.3 | Very low | 44.5 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 71% | 0.71 | 62% | 0.616 | S | S | * | * | trans | -52.1 | 108 | 177.3 | -85.4 | -176.2 | 145.4 | 0 | 0 | 110.7 | K266 E367 V371 | K266-E369 IonicContact NZ-OE2 3.96Å; K266-E369 PolarHBondContact NZ-OE2 3.08Å; E367-E369 PolarHBondContact O-N 3.3Å; E369-V371 PolarHBondContact O-N 3.34Å | ||
| 370 | K | 39.9 | Very low | 47.3 | Very low | 203 Ų | 203 | 114.5 Ų | 114.5 | 88% | 0.883 | 59% | 0.585 | S | S | * | * | trans | -67.3 | 118.2 | 177.7 | -76.5 | 175.7 | 178.4 | 167.7 | 0 | 110.6 | P368 D372 | P368-K370 PolarHBondContact O-N 2.96Å; K370-D372 PolarHBondContact O-N 3.45Å | ||
| 371 | V | 48.1 | Very low | 50.2 | Low | 65 Ų | 65 | 108.3 Ų | 108.3 | 39% | 0.394 | 56% | 0.558 | S | S | . | * | trans | -60.5 | 124.6 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 109.9 | I265 E369 M373 | I265-V371 HydrophobicContact CD1-CB 4.24Å; I265-V371 HydrophobicContact CD1-CG1 3.79Å; I265-V371 HydrophobicContact CD1-CG2 3.59Å; I265-V371 HydrophobicContact CG1-CG2 4.09Å; E369-V371 PolarHBondContact O-N 3.34Å; V371-M373 PolarHBondContact O-N 3.3Å; V371-M373 VanDerWaalsContact O-N 3.11Å | ||
| 372 | D | 59.2 | Low | 53.4 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | trans | -74.3 | 102.5 | -177.5 | -173.9 | -10.1 | 0 | 0 | 0 | 111.4 | K370 W374 E375 R460 | K370-D372 PolarHBondContact O-N 3.45Å; D372-W374 PolarHBondContact O-N 3.1Å; D372-W374 WeakPolarHBondContact OD1-CB 3.4Å; D372-W374 PolarHBondContact OD1-N 3.15Å; D372-E375 HydrophobicContact CB-CG 4.46Å; D372-E375 PolarHBondContact O-N 3.13Å; D372-R460 IonicContact OD1-CZ 2.79Å; D372-R460 IonicContact OD1-NH1 3.77Å; D372-R460 IonicContact OD1-NH2 3.66Å; D372-R460 PolarHBondContact OD1-NH2 3.3Å; D372-R460 IonicContact OD2-CZ 2.79Å; D372-R460 VanDerWaalsContact OD2-CZ 3.29Å; D372-R460 IonicContact OD2-NH1 4Å; D372-R460 PolarHBondContact OD2-NH1 3.11Å; D372-R460 IonicContact OD2-NH2 3.6Å; D372-R460 PolarHBondContact OD2-NH2 3.29Å; D372-R460 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 373 | M | 57.2 | Low | 56.5 | Low | 99 Ų | 99 | 92.4 Ų | 92.4 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -50.8 | -28.2 | -177.3 | -57.1 | 178.7 | 67.5 | 0 | 0 | 114.2 | A305 A306 V371 | A305-M373 HydrophobicContact CB-CE 3.95Å; A306-M373 HydrophobicContact CB-CB 3.78Å; A306-M373 HydrophobicContact CB-CE 3.76Å; A306-M373 HydrophobicContact CB-CG 3.86Å; A306-M373 VanDerWaalsContact N-CE 3.31Å; V371-M373 PolarHBondContact O-N 3.3Å; V371-M373 VanDerWaalsContact O-N 3.11Å |
| 374 | W | 71 | Confident | 59.4 | Low | 47 Ų | 47 | 87 Ų | 87 | 18% | 0.178 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -72.8 | -31.2 | -179.4 | -179.3 | 95.4 | 0 | 0 | 0 | 113.2 | D372 M376 L377 P417 R418 G458 R460 | D372-W374 PolarHBondContact O-N 3.1Å; D372-W374 WeakPolarHBondContact OD1-CB 3.4Å; D372-W374 PolarHBondContact OD1-N 3.15Å; W374-M376 PolarHBondContact O-N 3.37Å; W374-L377 PolarHBondContact O-N 3.42Å; W374-P417 PolarHBondContact NE1-O 3.47Å; W374-R418 HydrophobicContact CD2-CG 4.38Å; W374-R418 HydrophobicContact CH2-CG 4.18Å; W374-R418 HydrophobicContact CZ2-CB 4.44Å; W374-R418 HydrophobicContact CZ2-CG 3.78Å; W374-G458 VanDerWaalsContact CZ2-O 3.31Å; W374-G458 WeakPolarHBondContact CZ2-O 3.48Å; W374-R460 VanDerWaalsContact CB-CZ 3.41Å; W374-R460 VanDerWaalsContact CD2-NE 3.29Å; W374-R460 VanDerWaalsContact CE3-CZ 3.45Å; W374-R460 HydrophobicContact CH2-CB 4.44Å; W374-R460 HydrophobicContact CH2-CG 4.15Å; W374-R460 HydrophobicContact CZ2-CG 3.87Å |
| 375 | E | 68.6 | Low | 62.5 | Low | 107 Ų | 107 | 83.3 Ų | 83.3 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -68.8 | -17.6 | -179 | -72.2 | -161.6 | 159.2 | 0 | 0 | 113.1 | K271 D372 R418 | K271-E375 WeakPolarHBondContact CE-O 3.44Å; K271-E375 PolarHBondContact NZ-O 3.16Å; D372-E375 HydrophobicContact CB-CG 4.46Å; D372-E375 PolarHBondContact O-N 3.13Å; E375-R418 PolarHBondContact O-NH1 3.47Å |
| 376 | M | 61.5 | Low | 65.5 | Low | 31 Ų | 31 | 79.2 Ų | 79.2 | 15% | 0.153 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -88.4 | -16.9 | -179 | -64.1 | -64 | -79.9 | 0 | 0 | 113.8 | V270 K271 I274 Q310 W374 | V270-M376 HydrophobicContact CG2-CE 4.03Å; K271-M376 HydrophobicContact CG-SD 4.25Å; I274-M376 HydrophobicContact CD1-CE 3.23Å; Q310-M376 PolarHBondContact NE2-O 2.58Å; W374-M376 PolarHBondContact O-N 3.37Å |
| 377 | L | 66.7 | Low | 68.2 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 18% | 0.183 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -71.4 | 149.1 | 176.2 | -67.8 | 170.8 | 0 | 0 | 0 | 110.6 | T309 W374 P417 R418 | T309-L377 HydrophobicContact CG2-CD2 4.42Å; T309-L377 WeakPolarHBondContact OG1-CD2 3.39Å; W374-L377 PolarHBondContact O-N 3.42Å; L377-P417 HydrophobicContact CD1-CB 4.05Å; L377-P417 HydrophobicContact CD1-CG 4.14Å; L377-R418 HydrophobicContact CB-CB 3.86Å; L377-R418 HydrophobicContact CD1-CB 4.47Å; L377-R418 WeakPolarHBondContact O-CD 3.45Å; L377-R418 PolarHBondContact O-NH1 3.38Å |
| 378 | D | 72.5 | Confident | 70.9 | Confident | 87 Ų | 87 | 76.7 Ų | 76.7 | 47% | 0.465 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -77 | 138.9 | 171.7 | -79 | -44.2 | 0 | 0 | 0 | 110.8 | ||
| 379 | P | 81.6 | Confident | 73.4 | Confident | 58 Ų | 58 | 78.4 Ų | 78.4 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 129.8 | 176.9 | 24 | -29.3 | 0 | 0 | 0 | 111.5 | R418 D420 | P379-R418 WeakPolarHBondContact CA-O 3.46Å; P379-R418 HydrophobicContact CB-CG 4.4Å; P379-D420 HydrophobicContact CB-CB 4.17Å |
| 380 | V | 83.8 | Confident | 76.1 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 128 | -179 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | V382 N416 R418 L419 D420 | V380-V382 HydrophobicContact CG1-CG1 4.37Å; V380-V382 PolarHBondContact O-N 3.25Å; V380-N416 HydrophobicContact CB-CB 4Å; V380-N416 HydrophobicContact CG1-CB 4.19Å; V380-N416 HydrophobicContact CG2-CB 4.23Å; V380-R418 PolarHBondContact N-O 3.1Å; V380-L419 WeakPolarHBondContact O-CA 3.17Å; V380-D420 PolarHBondContact O-N 2.86Å |
| 381 | N | 89.7 | Confident | 78.7 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 34% | 0.344 | S | S | . | . | trans | -80.9 | 94.8 | 169.7 | -178.4 | -5.3 | 0 | 0 | 0 | 110.1 | L383 A384 D420 A423 | N381-L383 VanDerWaalsContact C-N 3.28Å; N381-L383 PolarHBondContact O-N 3.06Å; N381-L383 WeakPolarHBondContact OD1-CB 3.39Å; N381-L383 PolarHBondContact OD1-N 3.25Å; N381-L383 VanDerWaalsContact OD1-N 3.08Å; N381-A384 PolarHBondContact O-N 3.38Å; N381-A384 PolarHBondContact OD1-N 3.01Å; N381-D420 HydrophobicContact CB-CB 4.08Å; N381-A423 HydrophobicContact CB-CB 4.25Å; N381-A423 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 382 | V | 90.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -70.5 | -21.7 | 179.6 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | V380 A384 K385 M413 N416 L419 Y425 | V380-V382 HydrophobicContact CG1-CG1 4.37Å; V380-V382 PolarHBondContact O-N 3.25Å; V382-A384 VanDerWaalsContact C-N 3.27Å; V382-A384 PolarHBondContact O-N 3.35Å; V382-K385 PolarHBondContact O-N 3.31Å; V382-M413 HydrophobicContact CG2-CG 4.33Å; V382-N416 HydrophobicContact CG1-CB 4.12Å; V382-L419 HydrophobicContact CB-CD2 4.37Å; V382-L419 HydrophobicContact CG1-CD2 3.54Å; V382-L419 HydrophobicContact CG2-CD2 3.88Å; V382-Y425 HydrophobicContact CG2-CE1 3.99Å |
| 383 | L | 89.2 | Confident | 82.1 | Confident | 39 Ų | 39 | 65.5 Ų | 65.5 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -65.4 | -34 | 178.8 | -57.4 | 178.7 | 0 | 0 | 0 | 111.3 | N381 K385 L386 A423 Y425 L428 | N381-L383 VanDerWaalsContact C-N 3.28Å; N381-L383 PolarHBondContact O-N 3.06Å; N381-L383 WeakPolarHBondContact OD1-CB 3.39Å; N381-L383 PolarHBondContact OD1-N 3.25Å; N381-L383 VanDerWaalsContact OD1-N 3.08Å; L383-K385 PolarHBondContact O-N 3.23Å; L383-L386 HydrophobicContact CD2-CD1 3.92Å; L383-L386 PolarHBondContact O-N 3.13Å; L383-A423 HydrophobicContact CD1-CB 4.23Å; L383-Y425 HydrophobicContact CD1-CD1 3.92Å; L383-Y425 HydrophobicContact CD1-CE1 4.09Å; L383-Y425 HydrophobicContact CD1-CG 4.43Å; L383-Y425 HydrophobicContact CD2-CD1 4.02Å; L383-Y425 HydrophobicContact CD2-CE1 4.12Å; L383-Y425 HydrophobicContact CG-CD1 4.02Å; L383-Y425 HydrophobicContact CG-CE1 3.84Å; L383-L428 HydrophobicContact CD2-CB 4.5Å; L383-L428 HydrophobicContact CD2-CD2 3.72Å |
| 384 | A | 87.6 | Confident | 83.8 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 69% | 0.686 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -68.6 | -13.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N381 V382 | N381-A384 PolarHBondContact O-N 3.38Å; N381-A384 PolarHBondContact OD1-N 3.01Å; V382-A384 VanDerWaalsContact C-N 3.27Å; V382-A384 PolarHBondContact O-N 3.35Å |
| 385 | K | 88.5 | Confident | 84.7 | Confident | 111 Ų | 111 | 65.7 Ų | 65.7 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -97.2 | -0.9 | 176.6 | -61.6 | -175.9 | -179.9 | 178.9 | 0 | 112.9 | V382 L383 L412 N416 | V382-K385 PolarHBondContact O-N 3.31Å; L383-K385 PolarHBondContact O-N 3.23Å; K385-L412 HydrophobicContact CB-CD1 4.16Å; K385-L412 HydrophobicContact CB-CD2 4.1Å; K385-L412 HydrophobicContact CD-CD2 4.12Å; K385-N416 PolarHBondContact NZ-OD1 2.69Å |
| 386 | L | 91 | Very high | 85.7 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -82.2 | 148.4 | 179.5 | -65.3 | 175.1 | 0 | 0 | 0 | 111.5 | L383 F390 L409 L412 | L383-L386 HydrophobicContact CD2-CD1 3.92Å; L383-L386 PolarHBondContact O-N 3.13Å; L386-F390 HydrophobicContact CB-CB 4.29Å; L386-F390 HydrophobicContact CB-CD2 4.27Å; L386-F390 HydrophobicContact CB-CG 4.25Å; L386-F390 HydrophobicContact CD1-CD1 4.03Å; L386-F390 HydrophobicContact CD1-CD2 4.14Å; L386-F390 HydrophobicContact CD1-CE1 4.05Å; L386-F390 HydrophobicContact CD1-CE2 4.17Å; L386-F390 HydrophobicContact CD1-CG 4.1Å; L386-F390 HydrophobicContact CD1-CZ 4.13Å; L386-F390 HydrophobicContact CD2-CD2 3.77Å; L386-F390 HydrophobicContact CD2-CE2 3.76Å; L386-F390 HydrophobicContact CD2-CG 4.47Å; L386-F390 HydrophobicContact CD2-CZ 4.44Å; L386-F390 HydrophobicContact CG-CD2 4.28Å; L386-L409 HydrophobicContact CD1-CD1 4.42Å; L386-L409 HydrophobicContact CD2-CB 4.39Å; L386-L409 HydrophobicContact CD2-CD1 4.12Å; L386-L412 HydrophobicContact CD2-CD1 3.66Å |
| 387 | P | 87.9 | Confident | 86.9 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 41% | 0.409 | 36% | 0.358 | S | S | . | . | trans | -60.6 | 147.7 | 172.5 | -18.9 | 30.2 | 0 | 0 | 0 | 111.9 | E389 F390 L408 | P387-E389 PolarHBondContact O-N 2.79Å; P387-F390 WeakPolarHBondContact O-CB 3.31Å; P387-F390 PolarHBondContact O-N 3.36Å; P387-L408 HydrophobicContact CG-CD2 3.86Å | ||
| 388 | N | 83 | Confident | 88.1 | Confident | 160 Ų | 160 | 70.5 Ų | 70.5 | 86% | 0.856 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -34.6 | 177.5 | -65 | -17.1 | 0 | 0 | 0 | 112.5 | F390 | N388-F390 VanDerWaalsContact C-N 3.25Å; N388-F390 PolarHBondContact O-N 2.73Å |
| 389 | E | 86.5 | Confident | 89.1 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 6 | -179.6 | -42 | -55.1 | 148.8 | 0 | 0 | 113.7 | P387 F391 E392 T393 | P387-E389 PolarHBondContact O-N 2.79Å; E389-F391 PolarHBondContact O-N 2.83Å; E389-E392 PolarHBondContact O-N 3.4Å; E389-T393 WeakPolarHBondContact O-CB 3.49Å; E389-T393 PolarHBondContact O-N 2.85Å; E389-T393 PolarHBondContact O-OG1 3.21Å |
| 390 | F | 94.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.009 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.4 | -50.8 | -171 | 175.6 | -91.8 | 0 | 0 | 0 | 113 | L386 P387 N388 E392 T393 L394 V405 L409 L428 | L386-F390 HydrophobicContact CB-CB 4.29Å; L386-F390 HydrophobicContact CB-CD2 4.27Å; L386-F390 HydrophobicContact CB-CG 4.25Å; L386-F390 HydrophobicContact CD1-CD1 4.03Å; L386-F390 HydrophobicContact CD1-CD2 4.14Å; L386-F390 HydrophobicContact CD1-CE1 4.05Å; L386-F390 HydrophobicContact CD1-CE2 4.17Å; L386-F390 HydrophobicContact CD1-CG 4.1Å; L386-F390 HydrophobicContact CD1-CZ 4.13Å; L386-F390 HydrophobicContact CD2-CD2 3.77Å; L386-F390 HydrophobicContact CD2-CE2 3.76Å; L386-F390 HydrophobicContact CD2-CG 4.47Å; L386-F390 HydrophobicContact CD2-CZ 4.44Å; L386-F390 HydrophobicContact CG-CD2 4.28Å; P387-F390 WeakPolarHBondContact O-CB 3.31Å; P387-F390 PolarHBondContact O-N 3.36Å; N388-F390 VanDerWaalsContact C-N 3.25Å; N388-F390 PolarHBondContact O-N 2.73Å; F390-E392 PolarHBondContact O-N 2.81Å; F390-T393 PolarHBondContact O-N 3.34Å; F390-L394 HydrophobicContact CD1-CD1 3.98Å; F390-L394 HydrophobicContact CE1-CD1 3.38Å; F390-L394 HydrophobicContact CE1-CG 4.32Å; F390-L394 HydrophobicContact CZ-CD1 3.76Å; F390-L394 HydrophobicContact CZ-CG 4.45Å; F390-L394 WeakPolarHBondContact O-CG 3.42Å; F390-L394 PolarHBondContact O-N 3.39Å; F390-L394 VanDerWaalsContact O-N 3.1Å; F390-V405 HydrophobicContact CD2-CG2 3.37Å; F390-V405 HydrophobicContact CE2-CG2 3.7Å; F390-V405 HydrophobicContact CG-CG2 4.25Å; F390-L409 HydrophobicContact CE2-CB 4.1Å; F390-L409 HydrophobicContact CZ-CB 4.25Å; F390-L409 HydrophobicContact CZ-CD2 3.91Å; F390-L428 HydrophobicContact CE1-CD1 3.88Å; F390-L428 HydrophobicContact CZ-CD1 4.14Å |
| 391 | F | 93.3 | Very high | 90.2 | Very high | 59 Ų | 59 | 72.9 Ų | 72.9 | 26% | 0.259 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.4 | -27.6 | -178 | -69.9 | -77.4 | 0 | 0 | 0 | 113.4 | E389 L394 E427 V431 | E389-F391 PolarHBondContact O-N 2.83Å; F391-L394 HydrophobicContact CD1-CD1 4.48Å; F391-E427 HydrophobicContact CD1-CG 4.49Å; F391-E427 HydrophobicContact CE1-CG 3.92Å; F391-E427 HydrophobicContact CZ-CG 4.23Å; F391-V431 HydrophobicContact CD1-CG2 4.35Å; F391-V431 HydrophobicContact CE1-CG2 4.42Å |
| 392 | E | 88.6 | Confident | 90.5 | Very high | 115 Ų | 115 | 71.4 Ų | 71.4 | 54% | 0.537 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.8 | -40.6 | 173 | -71.6 | -54.7 | 134.4 | 0 | 0 | 111.1 | E389 F390 L394 K395 S396 | E389-E392 PolarHBondContact O-N 3.4Å; F390-E392 PolarHBondContact O-N 2.81Å; E392-L394 VanDerWaalsContact C-N 3.27Å; E392-L394 PolarHBondContact O-N 3.31Å; E392-K395 WeakPolarHBondContact O-CA 3.47Å; E392-K395 WeakPolarHBondContact O-CB 3.29Å; E392-K395 PolarHBondContact O-N 2.84Å; E392-K395 IonicContact OE1-NZ 2.74Å; E392-K395 PolarHBondContact OE1-NZ 2.93Å; E392-K395 IonicContact OE2-NZ 3.56Å; E392-S396 PolarHBondContact O-N 2.98Å |
| 393 | T | 90.7 | Very high | 90.8 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 175.4 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | E389 F390 K395 S396 E401 V405 | E389-T393 WeakPolarHBondContact O-CB 3.49Å; E389-T393 PolarHBondContact O-N 2.85Å; E389-T393 PolarHBondContact O-OG1 3.21Å; F390-T393 PolarHBondContact O-N 3.34Å; T393-K395 PolarHBondContact O-N 2.94Å; T393-S396 WeakPolarHBondContact O-CB 3.36Å; T393-S396 PolarHBondContact O-N 3.34Å; T393-E401 HydrophobicContact CG2-CB 4.13Å; T393-V405 HydrophobicContact CG2-CB 3.97Å; T393-V405 HydrophobicContact CG2-CG1 4.03Å; T393-V405 HydrophobicContact CG2-CG2 4.31Å |
| 394 | L | 93.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.1 | 173.3 | -75.2 | 177.1 | 0 | 0 | 0 | 114.4 | F390 F391 E392 R402 V405 L406 V431 I435 | F390-L394 HydrophobicContact CD1-CD1 3.98Å; F390-L394 HydrophobicContact CE1-CD1 3.38Å; F390-L394 HydrophobicContact CE1-CG 4.32Å; F390-L394 HydrophobicContact CZ-CD1 3.76Å; F390-L394 HydrophobicContact CZ-CG 4.45Å; F390-L394 WeakPolarHBondContact O-CG 3.42Å; F390-L394 PolarHBondContact O-N 3.39Å; F390-L394 VanDerWaalsContact O-N 3.1Å; F391-L394 HydrophobicContact CD1-CD1 4.48Å; E392-L394 VanDerWaalsContact C-N 3.27Å; E392-L394 PolarHBondContact O-N 3.31Å; L394-R402 WeakPolarHBondContact O-CD 3.45Å; L394-V405 HydrophobicContact CD2-CG1 3.47Å; L394-V405 VanDerWaalsContact CD2-CG1 3.47Å; L394-V405 HydrophobicContact CG-CG1 3.87Å; L394-L406 HydrophobicContact CD2-CD1 4.24Å; L394-L406 HydrophobicContact CD2-CD2 3.62Å; L394-L406 HydrophobicContact CD2-CG 3.61Å; L394-V431 HydrophobicContact CD1-CG1 3.86Å; L394-I435 HydrophobicContact CD2-CD1 4.13Å |
| 395 | K | 89.5 | Confident | 91.5 | Very high | 139 Ų | 139 | 71.7 Ų | 71.7 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -4 | 174.3 | -60.4 | 170.1 | -163.6 | 162.5 | 0 | 112.6 | E392 T393 | E392-K395 WeakPolarHBondContact O-CA 3.47Å; E392-K395 WeakPolarHBondContact O-CB 3.29Å; E392-K395 PolarHBondContact O-N 2.84Å; E392-K395 IonicContact OE1-NZ 2.74Å; E392-K395 PolarHBondContact OE1-NZ 2.93Å; E392-K395 IonicContact OE2-NZ 3.56Å; T393-K395 PolarHBondContact O-N 2.94Å |
| 396 | S | 89.9 | Confident | 92 | Very high | 17 Ų | 17 | 66.4 Ų | 66.4 | 12% | 0.119 | 33% | 0.333 | C | S | . | . | trans | -55.2 | 138.2 | -179.7 | 175 | 0 | 0 | 0 | 0 | 111.1 | E392 T393 K398 E401 R402 | E392-S396 PolarHBondContact O-N 2.98Å; T393-S396 WeakPolarHBondContact O-CB 3.36Å; T393-S396 PolarHBondContact O-N 3.34Å; S396-K398 PolarHBondContact O-N 2.84Å; S396-K398 PolarHBondContact OG-N 3.12Å; S396-K398 VanDerWaalsContact OG-N 3.13Å; S396-E401 VanDerWaalsContact CB-OE2 3.28Å; S396-E401 WeakPolarHBondContact CB-OE2 3.21Å; S396-E401 PolarHBondContact OG-OE2 2.88Å; S396-R402 WeakPolarHBondContact O-CD 3.21Å; S396-R402 WeakPolarHBondContact O-CG 3.18Å; S396-R402 PolarHBondContact O-NH1 2.93Å | ||
| 397 | P | 86.3 | Confident | 92.3 | Very high | 124 Ų | 124 | 69.4 Ų | 69.4 | 81% | 0.805 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -63.7 | -27.3 | 172.5 | 26.5 | -33.7 | 0 | 0 | 0 | 111.8 | W399 R402 | P397-W399 PolarHBondContact O-N 2.77Å; P397-W399 VanDerWaalsContact O-N 3.16Å; P397-R402 PolarHBondContact O-NH1 2.78Å; P397-R402 VanDerWaalsContact O-NH1 3.14Å |
| 398 | K | 90.8 | Very high | 92.6 | Very high | 132 Ų | 132 | 69.5 Ų | 69.5 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | trans | -74.7 | 104.5 | 177.6 | -68.9 | 170.6 | 175.9 | 179.4 | 0 | 110 | S396 L400 E401 R402 | S396-K398 PolarHBondContact O-N 2.84Å; S396-K398 PolarHBondContact OG-N 3.12Å; S396-K398 VanDerWaalsContact OG-N 3.13Å; K398-L400 PolarHBondContact O-N 3.44Å; K398-L400 VanDerWaalsContact O-N 3.1Å; K398-E401 HydrophobicContact CB-CB 4.39Å; K398-E401 HydrophobicContact CB-CG 4.06Å; K398-E401 HydrophobicContact CD-CG 4.36Å; K398-E401 WeakPolarHBondContact CD-OE1 3.16Å; K398-E401 IonicContact NZ-OE1 2.98Å; K398-E401 PolarHBondContact NZ-OE1 2.88Å; K398-E401 PolarHBondContact O-N 2.68Å; K398-E401 VanDerWaalsContact O-N 3.11Å; K398-R402 PolarHBondContact O-N 2.78Å | ||
| 399 | W | 95 | Very high | 93.3 | Very high | 72 Ų | 72 | 61.9 Ų | 61.9 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -25.8 | -178.8 | 70.8 | -91.4 | 0 | 0 | 0 | 113.7 | P397 R402 K403 N441 N443 V444 | P397-W399 PolarHBondContact O-N 2.77Å; P397-W399 VanDerWaalsContact O-N 3.16Å; W399-R402 PolarHBondContact O-N 3.45Å; W399-K403 HydrophobicContact CE3-CB 4.41Å; W399-K403 HydrophobicContact CE3-CD 4.44Å; W399-K403 HydrophobicContact CZ3-CD 3.81Å; W399-K403 WeakPolarHBondContact O-CB 3.4Å; W399-K403 PolarHBondContact O-N 3.2Å; W399-N441 HydrophobicContact CB-CB 4.02Å; W399-N441 HydrophobicContact CG-CB 4.4Å; W399-N443 HydrophobicContact CZ3-CB 4.36Å; W399-V444 HydrophobicContact CB-CG2 4.05Å; W399-V444 HydrophobicContact CE3-CG2 4.27Å; W399-V444 WeakPolarHBondContact O-CG2 3.47Å |
| 400 | L | 93.5 | Very high | 93.8 | Very high | 85 Ų | 85 | 57.1 Ų | 57.1 | 45% | 0.445 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 177.6 | -163 | 68.4 | 0 | 0 | 0 | 110.8 | K398 R402 K403 D404 | K398-L400 PolarHBondContact O-N 3.44Å; K398-L400 VanDerWaalsContact O-N 3.1Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.8Å; L400-K403 WeakPolarHBondContact O-CB 3.43Å; L400-K403 PolarHBondContact O-N 3.45Å; L400-K403 VanDerWaalsContact O-N 3.13Å; L400-D404 WeakPolarHBondContact O-CB 3.34Å; L400-D404 PolarHBondContact O-N 3.31Å |
| 401 | E | 94.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175 | -65.5 | 173 | -176.6 | 0 | 0 | 111.2 | T393 S396 K398 K403 D404 V405 | T393-E401 HydrophobicContact CG2-CB 4.13Å; S396-E401 VanDerWaalsContact CB-OE2 3.28Å; S396-E401 WeakPolarHBondContact CB-OE2 3.21Å; S396-E401 PolarHBondContact OG-OE2 2.88Å; K398-E401 HydrophobicContact CB-CB 4.39Å; K398-E401 HydrophobicContact CB-CG 4.06Å; K398-E401 HydrophobicContact CD-CG 4.36Å; K398-E401 WeakPolarHBondContact CD-OE1 3.16Å; K398-E401 IonicContact NZ-OE1 2.98Å; K398-E401 PolarHBondContact NZ-OE1 2.88Å; K398-E401 PolarHBondContact O-N 2.68Å; K398-E401 VanDerWaalsContact O-N 3.11Å; E401-K403 VanDerWaalsContact C-N 3.34Å; E401-K403 PolarHBondContact O-N 3.29Å; E401-D404 PolarHBondContact O-N 3.4Å; E401-V405 WeakPolarHBondContact O-CB 3.44Å; E401-V405 WeakPolarHBondContact O-CG1 3.25Å; E401-V405 PolarHBondContact O-N 3.48Å |
| 402 | R | 96.5 | Very high | 93.6 | Very high | 25 Ų | 25 | 61 Ų | 61 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -40 | 173.6 | -59.6 | -158.8 | -59.5 | -77 | 3.5 | 112.5 | L394 S396 P397 K398 W399 L400 V405 L406 D439 V444 | L394-R402 WeakPolarHBondContact O-CD 3.45Å; S396-R402 WeakPolarHBondContact O-CD 3.21Å; S396-R402 WeakPolarHBondContact O-CG 3.18Å; S396-R402 PolarHBondContact O-NH1 2.93Å; P397-R402 PolarHBondContact O-NH1 2.78Å; P397-R402 VanDerWaalsContact O-NH1 3.14Å; K398-R402 PolarHBondContact O-N 2.78Å; W399-R402 PolarHBondContact O-N 3.45Å; L400-R402 VanDerWaalsContact C-N 3.34Å; L400-R402 PolarHBondContact O-N 2.8Å; R402-V405 WeakPolarHBondContact O-CG1 3.25Å; R402-L406 WeakPolarHBondContact O-CD1 3.3Å; R402-L406 VanDerWaalsContact O-CG 3.22Å; R402-L406 WeakPolarHBondContact O-CG 3.31Å; R402-L406 PolarHBondContact O-N 3.09Å; R402-D439 IonicContact CZ-OD2 3.02Å; R402-D439 IonicContact NE-OD2 3.51Å; R402-D439 PolarHBondContact NE-OD2 3.14Å; R402-D439 IonicContact NH2-OD1 3.58Å; R402-D439 PolarHBondContact NH2-OD1 3.48Å; R402-D439 IonicContact NH2-OD2 2.69Å; R402-D439 PolarHBondContact NH2-OD2 3.39Å; R402-V444 HydrophobicContact CB-CG1 4.14Å; R402-V444 HydrophobicContact CB-CG2 4.46Å |
| 403 | K | 97 | Very high | 93.8 | Very high | 41 Ų | 41 | 55.8 Ų | 55.8 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -50.1 | 177.4 | 175.7 | -176.4 | 163.6 | -74.6 | 0 | 110.6 | W399 L400 E401 V405 L406 E407 V444 V447 | W399-K403 HydrophobicContact CE3-CB 4.41Å; W399-K403 HydrophobicContact CE3-CD 4.44Å; W399-K403 HydrophobicContact CZ3-CD 3.81Å; W399-K403 WeakPolarHBondContact O-CB 3.4Å; W399-K403 PolarHBondContact O-N 3.2Å; L400-K403 WeakPolarHBondContact O-CB 3.43Å; L400-K403 PolarHBondContact O-N 3.45Å; L400-K403 VanDerWaalsContact O-N 3.13Å; E401-K403 VanDerWaalsContact C-N 3.34Å; E401-K403 PolarHBondContact O-N 3.29Å; K403-V405 VanDerWaalsContact C-N 3.34Å; K403-V405 PolarHBondContact O-N 3.45Å; K403-L406 CarbonylContact O-C 3.19Å; K403-L406 WeakPolarHBondContact O-CB 3.28Å; K403-L406 PolarHBondContact O-N 3.16Å; K403-L406 VanDerWaalsContact O-N 3.13Å; K403-E407 WeakPolarHBondContact CE-OE1 3.13Å; K403-E407 HydrophobicContact CG-CG 4.41Å; K403-E407 IonicContact NZ-OE1 2.97Å; K403-E407 PolarHBondContact NZ-OE1 3.29Å; K403-E407 IonicContact NZ-OE2 2.85Å; K403-E407 PolarHBondContact NZ-OE2 3.15Å; K403-E407 WeakPolarHBondContact O-CG 3.18Å; K403-E407 PolarHBondContact O-N 2.94Å; K403-V444 HydrophobicContact CB-CG2 4.27Å; K403-V447 HydrophobicContact CG-CG2 4.1Å |
| 404 | D | 95.7 | Very high | 93.7 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | -173.2 | -64.5 | -12 | 0 | 0 | 0 | 111.2 | L400 E401 E407 L408 | L400-D404 WeakPolarHBondContact O-CB 3.34Å; L400-D404 PolarHBondContact O-N 3.31Å; E401-D404 PolarHBondContact O-N 3.4Å; D404-E407 PolarHBondContact O-N 3.21Å; D404-L408 PolarHBondContact O-N 3.32Å |
| 405 | V | 95.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -33.2 | 174.8 | 79.4 | 0 | 0 | 0 | 0 | 112.3 | F390 T393 L394 E401 R402 K403 L408 L409 | F390-V405 HydrophobicContact CD2-CG2 3.37Å; F390-V405 HydrophobicContact CE2-CG2 3.7Å; F390-V405 HydrophobicContact CG-CG2 4.25Å; T393-V405 HydrophobicContact CG2-CB 3.97Å; T393-V405 HydrophobicContact CG2-CG1 4.03Å; T393-V405 HydrophobicContact CG2-CG2 4.31Å; L394-V405 HydrophobicContact CD2-CG1 3.47Å; L394-V405 VanDerWaalsContact CD2-CG1 3.47Å; L394-V405 HydrophobicContact CG-CG1 3.87Å; E401-V405 WeakPolarHBondContact O-CB 3.44Å; E401-V405 WeakPolarHBondContact O-CG1 3.25Å; E401-V405 PolarHBondContact O-N 3.48Å; R402-V405 WeakPolarHBondContact O-CG1 3.25Å; K403-V405 VanDerWaalsContact C-N 3.34Å; K403-V405 PolarHBondContact O-N 3.45Å; V405-L408 WeakPolarHBondContact O-CB 3.45Å; V405-L409 PolarHBondContact O-N 2.56Å |
| 406 | L | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.5 | -35.8 | 171 | -71.2 | 173.1 | 0 | 0 | 0 | 111.9 | L394 R402 K403 L408 L409 V410 L432 I435 V444 V447 A448 | L394-L406 HydrophobicContact CD2-CD1 4.24Å; L394-L406 HydrophobicContact CD2-CD2 3.62Å; L394-L406 HydrophobicContact CD2-CG 3.61Å; R402-L406 WeakPolarHBondContact O-CD1 3.3Å; R402-L406 VanDerWaalsContact O-CG 3.22Å; R402-L406 WeakPolarHBondContact O-CG 3.31Å; R402-L406 PolarHBondContact O-N 3.09Å; K403-L406 CarbonylContact O-C 3.19Å; K403-L406 WeakPolarHBondContact O-CB 3.28Å; K403-L406 PolarHBondContact O-N 3.16Å; K403-L406 VanDerWaalsContact O-N 3.13Å; L406-L408 VanDerWaalsContact C-N 3.32Å; L406-L409 WeakPolarHBondContact O-CB 3.42Å; L406-L409 PolarHBondContact O-N 3.29Å; L406-L409 VanDerWaalsContact O-N 3.16Å; L406-V410 WeakPolarHBondContact O-CG2 3.49Å; L406-V410 PolarHBondContact O-N 3.23Å; L406-L432 HydrophobicContact CD2-CD2 3.58Å; L406-I435 HydrophobicContact CD1-CD1 4.28Å; L406-V444 HydrophobicContact CD1-CG1 3.75Å; L406-V447 HydrophobicContact CB-CB 4.23Å; L406-V447 HydrophobicContact CB-CG1 3.54Å; L406-A448 HydrophobicContact CD1-CB 4.03Å |
| 407 | E | 97.6 | Very high | 92.8 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 175.2 | -76 | -177.1 | 167.1 | 0 | 0 | 111.7 | K403 D404 L409 V410 K411 V447 | K403-E407 WeakPolarHBondContact CE-OE1 3.13Å; K403-E407 HydrophobicContact CG-CG 4.41Å; K403-E407 IonicContact NZ-OE1 2.97Å; K403-E407 PolarHBondContact NZ-OE1 3.29Å; K403-E407 IonicContact NZ-OE2 2.85Å; K403-E407 PolarHBondContact NZ-OE2 3.15Å; K403-E407 WeakPolarHBondContact O-CG 3.18Å; K403-E407 PolarHBondContact O-N 2.94Å; D404-E407 PolarHBondContact O-N 3.21Å; E407-L409 VanDerWaalsContact C-N 3.33Å; E407-L409 PolarHBondContact O-N 3.5Å; E407-V410 PolarHBondContact O-N 3.09Å; E407-K411 WeakPolarHBondContact O-CB 3.16Å; E407-K411 PolarHBondContact O-N 3.19Å; E407-V447 HydrophobicContact CG-CG1 3.79Å; E407-V447 HydrophobicContact CG-CG2 4.04Å |
| 408 | L | 94.8 | Very high | 92.8 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 169.5 | 176.8 | 64 | 0 | 0 | 0 | 111.4 | P387 D404 V405 L406 K411 L412 | P387-L408 HydrophobicContact CG-CD2 3.86Å; D404-L408 PolarHBondContact O-N 3.32Å; V405-L408 WeakPolarHBondContact O-CB 3.45Å; L406-L408 VanDerWaalsContact C-N 3.32Å; L408-K411 PolarHBondContact O-N 3.47Å; L408-L412 HydrophobicContact CG-CD1 4.45Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 3.43Å |
| 409 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.6 | 173.5 | 62.7 | 0 | 0 | 0 | 111.7 | L386 F390 V405 L406 E407 K411 L412 M413 L428 C451 | L386-L409 HydrophobicContact CD1-CD1 4.42Å; L386-L409 HydrophobicContact CD2-CB 4.39Å; L386-L409 HydrophobicContact CD2-CD1 4.12Å; F390-L409 HydrophobicContact CE2-CB 4.1Å; F390-L409 HydrophobicContact CZ-CB 4.25Å; F390-L409 HydrophobicContact CZ-CD2 3.91Å; V405-L409 PolarHBondContact O-N 2.56Å; L406-L409 WeakPolarHBondContact O-CB 3.42Å; L406-L409 PolarHBondContact O-N 3.29Å; L406-L409 VanDerWaalsContact O-N 3.16Å; E407-L409 VanDerWaalsContact C-N 3.33Å; E407-L409 PolarHBondContact O-N 3.5Å; L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.5Å; L409-L412 PolarHBondContact O-N 3.22Å; L409-M413 HydrophobicContact CD1-CE 4.12Å; L409-M413 HydrophobicContact CD1-CG 4.25Å; L409-M413 HydrophobicContact CD1-SD 4.17Å; L409-M413 HydrophobicContact CD2-CE 4.37Å; L409-M413 HydrophobicContact CG-CE 3.71Å; L409-M413 HydrophobicContact CG-SD 4.38Å; L409-M413 WeakPolarHBondContact O-CE 3.23Å; L409-M413 WeakPolarHBondContact O-CG 3.39Å; L409-M413 PolarHBondContact O-N 3.42Å; L409-L428 HydrophobicContact CD1-CD2 4.27Å; L409-L428 HydrophobicContact CD2-CD1 3.68Å; L409-L428 HydrophobicContact CD2-CD2 3.85Å; L409-L428 HydrophobicContact CD2-CG 4.3Å; L409-C451 HydrophobicContact CD2-CB 4.27Å |
| 410 | V | 96.6 | Very high | 92.6 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 14% | 0.139 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.7 | -49.3 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | L406 E407 L412 M413 V414 V447 K450 C451 | L406-V410 WeakPolarHBondContact O-CG2 3.49Å; L406-V410 PolarHBondContact O-N 3.23Å; E407-V410 PolarHBondContact O-N 3.09Å; V410-L412 VanDerWaalsContact C-N 3.34Å; V410-L412 PolarHBondContact O-N 2.83Å; V410-M413 PolarHBondContact O-N 3.07Å; V410-M413 VanDerWaalsContact O-N 3.14Å; V410-V414 HydrophobicContact CG1-CG2 4.13Å; V410-V414 WeakPolarHBondContact O-CG2 3.46Å; V410-V414 PolarHBondContact O-N 2.68Å; V410-V447 HydrophobicContact CG2-CG1 3.86Å; V410-K450 HydrophobicContact CG2-CB 4.18Å; V410-C451 WeakPolarHBondContact CG2-SG 3.41Å |
| 411 | K | 93.2 | Very high | 92.1 | Very high | 124 Ų | 124 | 47 Ų | 47 | 54% | 0.539 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.2 | -47.8 | 179.2 | -177.8 | 179.6 | 174.6 | -179.2 | 0 | 111.7 | E407 L408 L409 M413 V414 E415 | E407-K411 WeakPolarHBondContact O-CB 3.16Å; E407-K411 PolarHBondContact O-N 3.19Å; L408-K411 PolarHBondContact O-N 3.47Å; L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.5Å; K411-M413 VanDerWaalsContact C-N 3.31Å; K411-M413 PolarHBondContact O-N 2.93Å; K411-V414 PolarHBondContact O-N 3.29Å; K411-E415 WeakPolarHBondContact CE-OE1 3.44Å; K411-E415 WeakPolarHBondContact O-CG 3.26Å; K411-E415 PolarHBondContact O-N 3.42Å |
| 412 | L | 91.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 177.8 | -72.6 | 171.4 | 0 | 0 | 0 | 112.5 | K385 L386 L408 L409 V410 N416 | K385-L412 HydrophobicContact CB-CD1 4.16Å; K385-L412 HydrophobicContact CB-CD2 4.1Å; K385-L412 HydrophobicContact CD-CD2 4.12Å; L386-L412 HydrophobicContact CD2-CD1 3.66Å; L408-L412 HydrophobicContact CG-CD1 4.45Å; L408-L412 WeakPolarHBondContact O-CG 3.41Å; L408-L412 PolarHBondContact O-N 3.43Å; L409-L412 PolarHBondContact O-N 3.22Å; V410-L412 VanDerWaalsContact C-N 3.34Å; V410-L412 PolarHBondContact O-N 2.83Å; L412-N416 WeakPolarHBondContact O-CB 3.36Å; L412-N416 PolarHBondContact O-N 2.93Å; L412-N416 PolarHBondContact O-ND2 3.02Å |
| 413 | M | 94 | Very high | 90.9 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.8 | -33.9 | 179 | -66.7 | -178.4 | -64.4 | 0 | 0 | 113.1 | V382 L409 V410 K411 N416 L419 C451 H454 L455 | V382-M413 HydrophobicContact CG2-CG 4.33Å; L409-M413 HydrophobicContact CD1-CE 4.12Å; L409-M413 HydrophobicContact CD1-CG 4.25Å; L409-M413 HydrophobicContact CD1-SD 4.17Å; L409-M413 HydrophobicContact CD2-CE 4.37Å; L409-M413 HydrophobicContact CG-CE 3.71Å; L409-M413 HydrophobicContact CG-SD 4.38Å; L409-M413 WeakPolarHBondContact O-CE 3.23Å; L409-M413 WeakPolarHBondContact O-CG 3.39Å; L409-M413 PolarHBondContact O-N 3.42Å; V410-M413 PolarHBondContact O-N 3.07Å; V410-M413 VanDerWaalsContact O-N 3.14Å; K411-M413 VanDerWaalsContact C-N 3.31Å; K411-M413 PolarHBondContact O-N 2.93Å; M413-N416 CarbonylContact O-C 3.56Å; M413-N416 PolarHBondContact O-N 3.07Å; M413-N416 VanDerWaalsContact O-O 3.11Å; M413-L419 HydrophobicContact CG-CD1 4.42Å; M413-L419 HydrophobicContact CG-CD2 4.28Å; M413-L419 HydrophobicContact SD-CD1 4.37Å; M413-C451 HydrophobicContact CE-CB 3.89Å; M413-H454 HydrophobicContact CB-CB 3.89Å; M413-H454 HydrophobicContact CE-CB 3.83Å; M413-H454 HydrophobicContact SD-CB 4.01Å; M413-L455 HydrophobicContact SD-CD2 3.85Å; M413-L455 HydrophobicContact SD-CG 3.73Å |
| 414 | V | 87.6 | Confident | 90.4 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V410 K411 N416 H454 | V410-V414 HydrophobicContact CG1-CG2 4.13Å; V410-V414 WeakPolarHBondContact O-CG2 3.46Å; V410-V414 PolarHBondContact O-N 2.68Å; K411-V414 PolarHBondContact O-N 3.29Å; V414-N416 PolarHBondContact O-N 3.48Å; V414-H454 VanDerWaalsContact CG2-CE1 3.5Å; V414-H454 WeakPolarHBondContact CG2-CE1 3.46Å |
| 415 | E | 84.4 | Confident | 90.3 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.1 | -19.6 | 175.6 | -71.2 | 173.8 | -179.3 | 0 | 0 | 112.8 | K411 | K411-E415 WeakPolarHBondContact CE-OE1 3.44Å; K411-E415 WeakPolarHBondContact O-CG 3.26Å; K411-E415 PolarHBondContact O-N 3.42Å |
| 416 | N | 87.2 | Confident | 90 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | trans | -131.5 | 77.6 | -175.8 | -57 | -95.6 | 0 | 0 | 0 | 110.8 | V380 V382 K385 L412 M413 V414 R418 L419 | V380-N416 HydrophobicContact CB-CB 4Å; V380-N416 HydrophobicContact CG1-CB 4.19Å; V380-N416 HydrophobicContact CG2-CB 4.23Å; V382-N416 HydrophobicContact CG1-CB 4.12Å; K385-N416 PolarHBondContact NZ-OD1 2.69Å; L412-N416 WeakPolarHBondContact O-CB 3.36Å; L412-N416 PolarHBondContact O-N 2.93Å; L412-N416 PolarHBondContact O-ND2 3.02Å; M413-N416 CarbonylContact O-C 3.56Å; M413-N416 PolarHBondContact O-N 3.07Å; M413-N416 VanDerWaalsContact O-O 3.11Å; V414-N416 PolarHBondContact O-N 3.48Å; N416-R418 VanDerWaalsContact C-N 3.27Å; N416-R418 PolarHBondContact O-N 2.94Å; N416-L419 WeakPolarHBondContact O-CD2 3.43Å | ||
| 417 | P | 81.9 | Confident | 89.7 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | trans | -66.9 | -21.1 | -169.8 | -18.3 | 29.5 | 0 | 0 | 0 | 115 | W374 L377 G458 | W374-P417 PolarHBondContact NE1-O 3.47Å; L377-P417 HydrophobicContact CD1-CB 4.05Å; L377-P417 HydrophobicContact CD1-CG 4.14Å; P417-G458 WeakPolarHBondContact O-CA 3.46Å | ||
| 418 | R | 87.6 | Confident | 89.6 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -106.2 | 105.4 | 175 | -171.3 | -174.2 | -176.6 | 169.6 | 7.5 | 109.2 | W374 E375 L377 P379 V380 N416 | W374-R418 HydrophobicContact CD2-CG 4.38Å; W374-R418 HydrophobicContact CH2-CG 4.18Å; W374-R418 HydrophobicContact CZ2-CB 4.44Å; W374-R418 HydrophobicContact CZ2-CG 3.78Å; E375-R418 PolarHBondContact O-NH1 3.47Å; L377-R418 HydrophobicContact CB-CB 3.86Å; L377-R418 HydrophobicContact CD1-CB 4.47Å; L377-R418 WeakPolarHBondContact O-CD 3.45Å; L377-R418 PolarHBondContact O-NH1 3.38Å; P379-R418 WeakPolarHBondContact CA-O 3.46Å; P379-R418 HydrophobicContact CB-CG 4.4Å; V380-R418 PolarHBondContact N-O 3.1Å; N416-R418 VanDerWaalsContact C-N 3.27Å; N416-R418 PolarHBondContact O-N 2.94Å |
| 419 | L | 91.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -85.6 | 142.1 | -179.3 | -59.3 | 179.5 | 0 | 0 | 0 | 110.3 | V380 V382 M413 N416 P421 L455 G458 L459 | V380-L419 WeakPolarHBondContact O-CA 3.17Å; V382-L419 HydrophobicContact CB-CD2 4.37Å; V382-L419 HydrophobicContact CG1-CD2 3.54Å; V382-L419 HydrophobicContact CG2-CD2 3.88Å; M413-L419 HydrophobicContact CG-CD1 4.42Å; M413-L419 HydrophobicContact CG-CD2 4.28Å; M413-L419 HydrophobicContact SD-CD1 4.37Å; N416-L419 WeakPolarHBondContact O-CD2 3.43Å; L419-P421 VanDerWaalsContact O-CD 3.23Å; L419-P421 WeakPolarHBondContact O-CD 3.49Å; L419-L455 HydrophobicContact CD1-CD2 3.82Å; L419-G458 PolarHBondContact N-O 3.05Å; L419-L459 HydrophobicContact CB-CD2 3.88Å; L419-L459 HydrophobicContact CB-CG 4.09Å; L419-L459 HydrophobicContact CD1-CG 4.31Å |
| 420 | D | 88.5 | Confident | 89.6 | Confident | 32 Ų | 32 | 52.3 Ų | 52.3 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | trans | -68 | 112.7 | 177.5 | 176.2 | 11.2 | 0 | 0 | 0 | 110.5 | P379 V380 N381 N422 A423 Y425 | P379-D420 HydrophobicContact CB-CB 4.17Å; V380-D420 PolarHBondContact O-N 2.86Å; N381-D420 HydrophobicContact CB-CB 4.08Å; D420-N422 PolarHBondContact O-N 3.08Å; D420-N422 WeakPolarHBondContact OD1-CB 3.42Å; D420-N422 PolarHBondContact OD1-N 3.38Å; D420-N422 PolarHBondContact OD1-ND2 3.28Å; D420-A423 WeakPolarHBondContact O-CB 3.33Å; D420-A423 PolarHBondContact O-N 3.27Å; D420-Y425 WeakPolarHBondContact O-CE2 3.44Å; D420-Y425 PolarHBondContact O-OH 3.06Å | ||
| 421 | P | 84.6 | Confident | 89.4 | Confident | 60 Ų | 60 | 53 Ų | 53 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.3 | -177.9 | 30.6 | -36.2 | 0 | 0 | 0 | 113.8 | L419 A423 L459 K462 | L419-P421 VanDerWaalsContact O-CD 3.23Å; L419-P421 WeakPolarHBondContact O-CD 3.49Å; P421-A423 VanDerWaalsContact C-N 3.34Å; P421-L459 HydrophobicContact CB-CD2 4.22Å; P421-K462 HydrophobicContact CB-CB 4.1Å; P421-K462 HydrophobicContact CB-CD 4.4Å; P421-K462 HydrophobicContact CB-CG 3.84Å |
| 422 | N | 81.4 | Confident | 89.6 | Confident | 141 Ų | 141 | 47.1 Ų | 47.1 | 75% | 0.754 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.1 | 177 | -57.4 | -49 | 0 | 0 | 0 | 112.8 | D420 | D420-N422 PolarHBondContact O-N 3.08Å; D420-N422 WeakPolarHBondContact OD1-CB 3.42Å; D420-N422 PolarHBondContact OD1-N 3.38Å; D420-N422 PolarHBondContact OD1-ND2 3.28Å |
| 423 | A | 83.7 | Confident | 89.9 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -72.7 | 148.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N381 L383 D420 P421 Y425 | N381-A423 HydrophobicContact CB-CB 4.25Å; N381-A423 WeakPolarHBondContact OD1-CB 3.49Å; L383-A423 HydrophobicContact CD1-CB 4.23Å; D420-A423 WeakPolarHBondContact O-CB 3.33Å; D420-A423 PolarHBondContact O-N 3.27Å; P421-A423 VanDerWaalsContact C-N 3.34Å; A423-Y425 HydrophobicContact CB-CD2 4.39Å; A423-Y425 HydrophobicContact CB-CE1 4.48Å; A423-Y425 HydrophobicContact CB-CE2 3.7Å; A423-Y425 VanDerWaalsContact O-CD2 3.26Å; A423-Y425 WeakPolarHBondContact O-CD2 3.4Å; A423-Y425 PolarHBondContact O-N 3.02Å; A423-Y425 VanDerWaalsContact O-N 3.07Å |
| 424 | Q | 86.1 | Confident | 89.9 | Confident | 128 Ų | 128 | 51.1 Ų | 51.1 | 60% | 0.598 | 28% | 0.282 | S | S | * | . | trans | -86.3 | 74.1 | -172.3 | -64.3 | 180 | 39.8 | 0 | 0 | 112.8 | G426 | Q424-G426 PolarHBondContact O-N 3.44Š| ||
| 425 | Y | 93.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -3.7 | -179.8 | -58.8 | -77.9 | 0 | 0 | 0 | 115.4 | V382 L383 D420 A423 E427 L428 V429 L455 L459 | V382-Y425 HydrophobicContact CG2-CE1 3.99Å; L383-Y425 HydrophobicContact CD1-CD1 3.92Å; L383-Y425 HydrophobicContact CD1-CE1 4.09Å; L383-Y425 HydrophobicContact CD1-CG 4.43Å; L383-Y425 HydrophobicContact CD2-CD1 4.02Å; L383-Y425 HydrophobicContact CD2-CE1 4.12Å; L383-Y425 HydrophobicContact CG-CD1 4.02Å; L383-Y425 HydrophobicContact CG-CE1 3.84Å; D420-Y425 WeakPolarHBondContact O-CE2 3.44Å; D420-Y425 PolarHBondContact O-OH 3.06Å; A423-Y425 HydrophobicContact CB-CD2 4.39Å; A423-Y425 HydrophobicContact CB-CE1 4.48Å; A423-Y425 HydrophobicContact CB-CE2 3.7Å; A423-Y425 VanDerWaalsContact O-CD2 3.26Å; A423-Y425 WeakPolarHBondContact O-CD2 3.4Å; A423-Y425 PolarHBondContact O-N 3.02Å; A423-Y425 VanDerWaalsContact O-N 3.07Å; Y425-E427 PolarHBondContact O-N 3.06Å; Y425-L428 HydrophobicContact CD1-CD2 4.37Å; Y425-L428 PolarHBondContact O-N 3.33Å; Y425-V429 WeakPolarHBondContact O-CB 3.31Å; Y425-V429 WeakPolarHBondContact O-CG2 3.48Å; Y425-V429 PolarHBondContact O-N 3.34Å; Y425-L455 HydrophobicContact CD1-CD2 3.73Å; Y425-L455 HydrophobicContact CE1-CD2 4.04Å; Y425-L455 HydrophobicContact CG-CD2 4.35Å; Y425-L459 HydrophobicContact CD2-CD1 3.74Å; Y425-L459 HydrophobicContact CD2-CD2 4.27Å; Y425-L459 HydrophobicContact CE2-CD1 3.98Å; Y425-L459 HydrophobicContact CE2-CD2 3.78Å; Y425-L459 HydrophobicContact CE2-CG 4.38Å; Y425-L459 HydrophobicContact CG-CD1 4.23Å |
| 426 | G | 90.7 | Very high | 90.9 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.7 | -45.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q424 A430 | Q424-G426 PolarHBondContact O-N 3.44Å; G426-A430 WeakPolarHBondContact O-CB 3.16Å; G426-A430 PolarHBondContact O-N 2.71Å |
| 427 | E | 91.5 | Very high | 91.2 | Very high | 124 Ų | 124 | 44.1 Ų | 44.1 | 58% | 0.579 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.1 | -46.3 | 177.2 | -174.4 | 175.4 | -172.2 | 0 | 0 | 111.3 | F391 Y425 V429 A430 V431 | F391-E427 HydrophobicContact CD1-CG 4.49Å; F391-E427 HydrophobicContact CE1-CG 3.92Å; F391-E427 HydrophobicContact CZ-CG 4.23Å; Y425-E427 PolarHBondContact O-N 3.06Å; E427-V429 PolarHBondContact O-N 3.34Å; E427-A430 PolarHBondContact O-N 2.89Å; E427-V431 WeakPolarHBondContact O-CG2 3.18Å; E427-V431 PolarHBondContact O-N 2.94Å |
| 428 | L | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 178.8 | 177.4 | 61.6 | 0 | 0 | 0 | 111.8 | L383 F390 L409 Y425 A430 V431 L432 L455 | L383-L428 HydrophobicContact CD2-CB 4.5Å; L383-L428 HydrophobicContact CD2-CD2 3.72Å; F390-L428 HydrophobicContact CE1-CD1 3.88Å; F390-L428 HydrophobicContact CZ-CD1 4.14Å; L409-L428 HydrophobicContact CD1-CD2 4.27Å; L409-L428 HydrophobicContact CD2-CD1 3.68Å; L409-L428 HydrophobicContact CD2-CD2 3.85Å; L409-L428 HydrophobicContact CD2-CG 4.3Å; Y425-L428 HydrophobicContact CD1-CD2 4.37Å; Y425-L428 PolarHBondContact O-N 3.33Å; L428-A430 VanDerWaalsContact C-N 3.32Å; L428-A430 PolarHBondContact O-N 3.47Å; L428-V431 PolarHBondContact O-N 3.44Å; L428-L432 HydrophobicContact CD1-CD1 4.17Å; L428-L432 HydrophobicContact CD1-CG 4.15Å; L428-L432 HydrophobicContact CG-CD1 4.03Å; L428-L432 HydrophobicContact CG-CG 4.43Å; L428-L432 VanDerWaalsContact O-CG 3.3Å; L428-L432 WeakPolarHBondContact O-CG 3.46Å; L428-L432 PolarHBondContact O-N 2.81Å; L428-L455 HydrophobicContact CD2-CD1 4.2Å; L428-L455 HydrophobicContact CD2-CD2 4.46Å; L428-L455 HydrophobicContact CG-CD1 4.47Å |
| 429 | V | 96.9 | Very high | 92 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 177.9 | 170.5 | 0 | 0 | 0 | 0 | 111 | Y425 E427 V431 L432 K433 L455 F463 F466 | Y425-V429 WeakPolarHBondContact O-CB 3.31Å; Y425-V429 WeakPolarHBondContact O-CG2 3.48Å; Y425-V429 PolarHBondContact O-N 3.34Å; E427-V429 PolarHBondContact O-N 3.34Å; V429-V431 VanDerWaalsContact C-N 3.33Å; V429-V431 PolarHBondContact O-N 3.01Å; V429-L432 PolarHBondContact O-N 3.2Å; V429-K433 VanDerWaalsContact O-CB 3.27Å; V429-K433 WeakPolarHBondContact O-CB 3.39Å; V429-K433 PolarHBondContact O-N 2.82Å; V429-L455 HydrophobicContact CG2-CD1 4.07Å; V429-F463 HydrophobicContact CG2-CE2 4.12Å; V429-F466 HydrophobicContact CB-CD1 4.34Å; V429-F466 HydrophobicContact CB-CG 4.47Å; V429-F466 HydrophobicContact CG1-CB 3.96Å; V429-F466 HydrophobicContact CG1-CD1 4.07Å; V429-F466 HydrophobicContact CG1-CG 4.08Å; V429-F466 HydrophobicContact CG2-CD1 4.4Å; V429-F466 HydrophobicContact CG2-CD2 4.24Å; V429-F466 HydrophobicContact CG2-CG 4.14Å |
| 430 | A | 93.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G426 E427 L428 N434 | G426-A430 WeakPolarHBondContact O-CB 3.16Å; G426-A430 PolarHBondContact O-N 2.71Å; E427-A430 PolarHBondContact O-N 2.89Å; L428-A430 VanDerWaalsContact C-N 3.32Å; L428-A430 PolarHBondContact O-N 3.47Å; A430-N434 WeakPolarHBondContact O-CB 3.32Å; A430-N434 PolarHBondContact O-N 3.24Å; A430-N434 VanDerWaalsContact O-N 3.11Å; A430-N434 PolarHBondContact O-ND2 3.4Å |
| 431 | V | 93.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.6 | -49.2 | 175 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | F391 L394 E427 L428 V429 K433 N434 I435 | F391-V431 HydrophobicContact CD1-CG2 4.35Å; F391-V431 HydrophobicContact CE1-CG2 4.42Å; L394-V431 HydrophobicContact CD1-CG1 3.86Å; E427-V431 WeakPolarHBondContact O-CG2 3.18Å; E427-V431 PolarHBondContact O-N 2.94Å; L428-V431 PolarHBondContact O-N 3.44Å; V429-V431 VanDerWaalsContact C-N 3.33Å; V429-V431 PolarHBondContact O-N 3.01Å; V431-K433 PolarHBondContact O-N 3.03Å; V431-N434 WeakPolarHBondContact O-CB 3.42Å; V431-N434 PolarHBondContact O-N 2.99Å; V431-N434 VanDerWaalsContact O-N 3.08Å; V431-I435 HydrophobicContact CG1-CD1 3.87Å; V431-I435 HydrophobicContact CG1-CG1 4.41Å; V431-I435 WeakPolarHBondContact O-CG1 3.36Å; V431-I435 PolarHBondContact O-N 2.85Å |
| 432 | L | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 178.3 | -69.1 | 173.8 | 0 | 0 | 0 | 112.1 | L406 L428 V429 N434 I435 I436 A448 C451 L452 L455 | L406-L432 HydrophobicContact CD2-CD2 3.58Å; L428-L432 HydrophobicContact CD1-CD1 4.17Å; L428-L432 HydrophobicContact CD1-CG 4.15Å; L428-L432 HydrophobicContact CG-CD1 4.03Å; L428-L432 HydrophobicContact CG-CG 4.43Å; L428-L432 VanDerWaalsContact O-CG 3.3Å; L428-L432 WeakPolarHBondContact O-CG 3.46Å; L428-L432 PolarHBondContact O-N 2.81Å; V429-L432 PolarHBondContact O-N 3.2Å; L432-N434 VanDerWaalsContact C-N 3.29Å; L432-N434 PolarHBondContact O-N 2.97Å; L432-I435 PolarHBondContact O-N 3.37Å; L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.84Å; L432-A448 HydrophobicContact CD2-CB 3.94Å; L432-C451 HydrophobicContact CD1-CB 3.74Å; L432-C451 HydrophobicContact CD2-CB 3.82Å; L432-C451 HydrophobicContact CG-CB 4.46Å; L432-L452 HydrophobicContact CB-CD1 3.69Å; L432-L452 HydrophobicContact CD1-CD1 4.26Å; L432-L455 HydrophobicContact CD1-CD1 3.58Å |
| 433 | K | 96.7 | Very high | 93.2 | Very high | 54 Ų | 54 | 46 Ų | 46 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.6 | -43 | 173.8 | 171.8 | 177.6 | 160.4 | 160.9 | 0 | 111.7 | V429 V431 S437 M469 V473 | V429-K433 VanDerWaalsContact O-CB 3.27Å; V429-K433 WeakPolarHBondContact O-CB 3.39Å; V429-K433 PolarHBondContact O-N 2.82Å; V431-K433 PolarHBondContact O-N 3.03Å; K433-S437 VanDerWaalsContact O-CB 3.28Å; K433-S437 WeakPolarHBondContact O-CB 3.3Å; K433-S437 PolarHBondContact O-N 2.7Å; K433-M469 HydrophobicContact CD-CE 4.08Å; K433-M469 WeakPolarHBondContact CE-O 3.48Å; K433-M469 PolarHBondContact NZ-O 3.39Å; K433-V473 HydrophobicContact CD-CG2 4.21Å; K433-V473 HydrophobicContact CG-CB 4.47Å; K433-V473 HydrophobicContact CG-CG1 4.26Å; K433-V473 HydrophobicContact CG-CG2 4.08Å |
| 434 | N | 93.8 | Very high | 93.8 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 30% | 0.299 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.5 | -85.6 | -38.4 | 0 | 0 | 0 | 112.1 | A430 V431 L432 S437 K438 | A430-N434 WeakPolarHBondContact O-CB 3.32Å; A430-N434 PolarHBondContact O-N 3.24Å; A430-N434 VanDerWaalsContact O-N 3.11Å; A430-N434 PolarHBondContact O-ND2 3.4Å; V431-N434 WeakPolarHBondContact O-CB 3.42Å; V431-N434 PolarHBondContact O-N 2.99Å; V431-N434 VanDerWaalsContact O-N 3.08Å; L432-N434 VanDerWaalsContact C-N 3.29Å; L432-N434 PolarHBondContact O-N 2.97Å; N434-S437 PolarHBondContact O-N 3.43Å; N434-K438 WeakPolarHBondContact O-CB 3.47Å; N434-K438 PolarHBondContact O-N 3.08Å |
| 435 | I | 96.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -50.9 | 175.6 | -69 | 171 | 0 | 0 | 0 | 109.9 | L394 L406 V431 L432 S437 K438 D439 V444 A448 | L394-I435 HydrophobicContact CD2-CD1 4.13Å; L406-I435 HydrophobicContact CD1-CD1 4.28Å; V431-I435 HydrophobicContact CG1-CD1 3.87Å; V431-I435 HydrophobicContact CG1-CG1 4.41Å; V431-I435 WeakPolarHBondContact O-CG1 3.36Å; V431-I435 PolarHBondContact O-N 2.85Å; L432-I435 PolarHBondContact O-N 3.37Å; I435-S437 VanDerWaalsContact C-N 3.26Å; I435-S437 PolarHBondContact O-N 3.13Å; I435-K438 PolarHBondContact O-N 2.89Å; I435-D439 HydrophobicContact CG2-CB 3.88Å; I435-D439 WeakPolarHBondContact O-CB 3.43Å; I435-D439 PolarHBondContact O-N 3.46Å; I435-V444 HydrophobicContact CG2-CG1 3.75Å; I435-A448 HydrophobicContact CB-CB 4.2Å; I435-A448 HydrophobicContact CG2-CB 3.62Å |
| 436 | I | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -41.7 | 178 | -65.4 | 168.8 | 0 | 0 | 0 | 110.9 | L432 V445 A448 L452 V473 V474 R477 L489 | L432-I436 WeakPolarHBondContact O-CG1 3.47Å; L432-I436 PolarHBondContact O-N 2.84Å; I436-V445 HydrophobicContact CG2-CG1 4.43Å; I436-A448 HydrophobicContact CG1-CB 3.95Å; I436-L452 HydrophobicContact CD1-CB 4.4Å; I436-L452 HydrophobicContact CD1-CD1 4.1Å; I436-V473 HydrophobicContact CG2-CG1 4.3Å; I436-V474 HydrophobicContact CD1-CG2 4.37Å; I436-R477 HydrophobicContact CG2-CB 4.11Å; I436-R477 HydrophobicContact CG2-CG 4.08Å; I436-R477 WeakPolarHBondContact O-CD 3.44Å; I436-R477 PolarHBondContact O-NE 3.48Å; I436-L489 HydrophobicContact CG2-CD2 4.08Å |
| 437 | S | 93.5 | Very high | 94.8 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 43% | 0.427 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.7 | -34.2 | -177.9 | -177.2 | 0 | 0 | 0 | 0 | 114.6 | K433 N434 I435 | K433-S437 VanDerWaalsContact O-CB 3.28Å; K433-S437 WeakPolarHBondContact O-CB 3.3Å; K433-S437 PolarHBondContact O-N 2.7Å; N434-S437 PolarHBondContact O-N 3.43Å; I435-S437 VanDerWaalsContact C-N 3.26Å; I435-S437 PolarHBondContact O-N 3.13Å |
| 438 | K | 91.7 | Very high | 95.1 | Very high | 144 Ų | 144 | 32.2 Ų | 32.2 | 63% | 0.626 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -131.6 | -17.2 | -162.7 | -63.2 | -175.1 | 179 | 179.3 | 0 | 115.6 | N434 I435 S440 | N434-K438 WeakPolarHBondContact O-CB 3.47Å; N434-K438 PolarHBondContact O-N 3.08Å; I435-K438 PolarHBondContact O-N 2.89Å; K438-S440 PolarHBondContact O-N 3.45Å |
| 439 | D | 94.7 | Very high | 95.2 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | trans | -65.1 | 132.7 | -179.4 | -158.8 | -55.3 | 0 | 0 | 0 | 109.7 | R402 I435 N441 V445 R477 | R402-D439 IonicContact CZ-OD2 3.02Å; R402-D439 IonicContact NE-OD2 3.51Å; R402-D439 PolarHBondContact NE-OD2 3.14Å; R402-D439 IonicContact NH2-OD1 3.58Å; R402-D439 PolarHBondContact NH2-OD1 3.48Å; R402-D439 IonicContact NH2-OD2 2.69Å; R402-D439 PolarHBondContact NH2-OD2 3.39Å; I435-D439 HydrophobicContact CG2-CB 3.88Å; I435-D439 WeakPolarHBondContact O-CB 3.43Å; I435-D439 PolarHBondContact O-N 3.46Å; D439-N441 VanDerWaalsContact C-N 3.31Å; D439-N441 PolarHBondContact OD1-N 2.8Å; D439-V445 HydrophobicContact CB-CG2 4.13Å; D439-R477 PolarHBondContact O-NH2 3.32Å | ||
| 440 | S | 90.4 | Very high | 95.3 | Very high | 113 Ų | 113 | 36 Ų | 36 | 79% | 0.79 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -74.1 | -25.6 | -178.9 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | K438 | K438-S440 PolarHBondContact O-N 3.45Š|
| 441 | N | 94.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 34.1 Ų | 34.1 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | trans | -91.6 | 111.1 | -179.2 | -166.8 | -52.9 | 0 | 0 | 0 | 111.4 | W399 D439 N443 V444 V445 | W399-N441 HydrophobicContact CB-CB 4.02Å; W399-N441 HydrophobicContact CG-CB 4.4Å; D439-N441 VanDerWaalsContact C-N 3.31Å; D439-N441 PolarHBondContact OD1-N 2.8Å; N441-N443 PolarHBondContact O-N 3.14Å; N441-N443 WeakPolarHBondContact OD1-CB 3.35Å; N441-N443 PolarHBondContact OD1-N 3.19Å; N441-V444 HydrophobicContact CB-CB 4.45Å; N441-V444 HydrophobicContact CB-CG2 3.91Å; N441-V444 WeakPolarHBondContact O-CB 3.48Å; N441-V444 PolarHBondContact O-N 3.08Å; N441-V444 VanDerWaalsContact O-N 3.1Å; N441-V445 PolarHBondContact O-N 3.14Å; N441-V445 VanDerWaalsContact O-N 3.17Å | ||
| 442 | V | 92.4 | Very high | 95.7 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 16% | 0.164 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -23 | -176.9 | -61.3 | 0 | 0 | 0 | 0 | 114.4 | V445 A446 K482 V485 | V442-V445 WeakPolarHBondContact O-CB 3.22Å; V442-V445 PolarHBondContact O-N 3.49Å; V442-A446 PolarHBondContact O-N 2.92Å; V442-K482 HydrophobicContact CG2-CD 4.03Å; V442-V485 HydrophobicContact CB-CG2 3.93Å; V442-V485 HydrophobicContact CG2-CG2 4.15Å |
| 443 | N | 93.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 32.4 Ų | 32.4 | 33% | 0.326 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.1 | -37.6 | 175.2 | -62.3 | -27.6 | 0 | 0 | 0 | 110.9 | W399 N441 V445 A446 V447 | W399-N443 HydrophobicContact CZ3-CB 4.36Å; N441-N443 PolarHBondContact O-N 3.14Å; N441-N443 WeakPolarHBondContact OD1-CB 3.35Å; N441-N443 PolarHBondContact OD1-N 3.19Å; N443-V445 VanDerWaalsContact C-N 3.33Å; N443-A446 PolarHBondContact O-N 2.95Å; N443-V447 WeakPolarHBondContact O-CG2 3.49Å; N443-V447 PolarHBondContact O-N 3.35Å; N443-V447 VanDerWaalsContact O-N 3.11Å |
| 444 | V | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | W399 R402 K403 L406 I435 N441 A446 V447 A448 | W399-V444 HydrophobicContact CB-CG2 4.05Å; W399-V444 HydrophobicContact CE3-CG2 4.27Å; W399-V444 WeakPolarHBondContact O-CG2 3.47Å; R402-V444 HydrophobicContact CB-CG1 4.14Å; R402-V444 HydrophobicContact CB-CG2 4.46Å; K403-V444 HydrophobicContact CB-CG2 4.27Å; L406-V444 HydrophobicContact CD1-CG1 3.75Å; I435-V444 HydrophobicContact CG2-CG1 3.75Å; N441-V444 HydrophobicContact CB-CB 4.45Å; N441-V444 HydrophobicContact CB-CG2 3.91Å; N441-V444 WeakPolarHBondContact O-CB 3.48Å; N441-V444 PolarHBondContact O-N 3.08Å; N441-V444 VanDerWaalsContact O-N 3.1Å; V444-A446 VanDerWaalsContact C-N 3.33Å; V444-A446 PolarHBondContact O-N 3.41Å; V444-V447 PolarHBondContact O-N 3.36Å; V444-A448 WeakPolarHBondContact O-CB 3.42Å; V444-A448 PolarHBondContact O-N 3.46Å |
| 445 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 172.8 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | I436 D439 N441 V442 N443 A448 S449 R477 V485 | I436-V445 HydrophobicContact CG2-CG1 4.43Å; D439-V445 HydrophobicContact CB-CG2 4.13Å; N441-V445 PolarHBondContact O-N 3.14Å; N441-V445 VanDerWaalsContact O-N 3.17Å; V442-V445 WeakPolarHBondContact O-CB 3.22Å; V442-V445 PolarHBondContact O-N 3.49Å; N443-V445 VanDerWaalsContact C-N 3.33Å; V445-A448 PolarHBondContact O-N 3.17Å; V445-S449 WeakPolarHBondContact O-CB 3.37Å; V445-S449 PolarHBondContact O-N 2.93Å; V445-S449 PolarHBondContact O-OG 3.33Å; V445-R477 HydrophobicContact CG1-CG 4.13Å; V445-V485 HydrophobicContact CG1-CG1 4.34Å |
| 446 | A | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V442 N443 V444 S449 K450 V485 A488 | V442-A446 PolarHBondContact O-N 2.92Å; N443-A446 PolarHBondContact O-N 2.95Å; V444-A446 VanDerWaalsContact C-N 3.33Å; V444-A446 PolarHBondContact O-N 3.41Å; A446-S449 WeakPolarHBondContact O-CB 3.25Å; A446-S449 PolarHBondContact O-N 2.89Å; A446-K450 PolarHBondContact O-N 3.2Å; A446-V485 HydrophobicContact CB-CB 4.45Å; A446-V485 HydrophobicContact CB-CG1 4.46Å; A446-V485 HydrophobicContact CB-CG2 4.21Å; A446-A488 HydrophobicContact CB-CB 4.17Å; A446-A488 WeakPolarHBondContact O-CB 3.48Å |
| 447 | V | 97.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.8 | -174 | 0 | 0 | 0 | 0 | 111.1 | K403 L406 E407 V410 N443 V444 S449 K450 C451 | K403-V447 HydrophobicContact CG-CG2 4.1Å; L406-V447 HydrophobicContact CB-CB 4.23Å; L406-V447 HydrophobicContact CB-CG1 3.54Å; E407-V447 HydrophobicContact CG-CG1 3.79Å; E407-V447 HydrophobicContact CG-CG2 4.04Å; V410-V447 HydrophobicContact CG2-CG1 3.86Å; N443-V447 WeakPolarHBondContact O-CG2 3.49Å; N443-V447 PolarHBondContact O-N 3.35Å; N443-V447 VanDerWaalsContact O-N 3.11Å; V444-V447 PolarHBondContact O-N 3.36Å; V447-S449 VanDerWaalsContact C-N 3.25Å; V447-S449 PolarHBondContact O-N 2.74Å; V447-K450 WeakPolarHBondContact O-CB 3.44Å; V447-K450 PolarHBondContact O-N 3.26Å; V447-K450 VanDerWaalsContact O-N 3.15Å; V447-C451 PolarHBondContact O-N 2.83Å; V447-C451 PolarHBondContact O-SG 3.41Å; V447-C451 VanDerWaalsContact O-SG 3.36Å |
| 448 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L406 L432 I435 I436 V444 V445 C451 L452 | L406-A448 HydrophobicContact CD1-CB 4.03Å; L432-A448 HydrophobicContact CD2-CB 3.94Å; I435-A448 HydrophobicContact CB-CB 4.2Å; I435-A448 HydrophobicContact CG2-CB 3.62Å; I436-A448 HydrophobicContact CG1-CB 3.95Å; V444-A448 WeakPolarHBondContact O-CB 3.42Å; V444-A448 PolarHBondContact O-N 3.46Å; V445-A448 PolarHBondContact O-N 3.17Å; A448-C451 WeakPolarHBondContact O-CB 3.39Å; A448-C451 PolarHBondContact O-N 3.14Å; A448-L452 PolarHBondContact O-N 3.26Å |
| 449 | S | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -43 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | V445 A446 V447 C451 L452 A453 A488 L489 A492 | V445-S449 WeakPolarHBondContact O-CB 3.37Å; V445-S449 PolarHBondContact O-N 2.93Å; V445-S449 PolarHBondContact O-OG 3.33Å; A446-S449 WeakPolarHBondContact O-CB 3.25Å; A446-S449 PolarHBondContact O-N 2.89Å; V447-S449 VanDerWaalsContact C-N 3.25Å; V447-S449 PolarHBondContact O-N 2.74Å; S449-C451 VanDerWaalsContact C-N 3.34Å; S449-C451 PolarHBondContact O-N 3.21Å; S449-L452 PolarHBondContact O-N 2.66Å; S449-L452 VanDerWaalsContact O-N 3.14Å; S449-A453 PolarHBondContact O-N 3.42Å; S449-A488 WeakPolarHBondContact CB-O 3.23Å; S449-L489 VanDerWaalsContact OG-CD2 3.25Å; S449-L489 WeakPolarHBondContact OG-CD2 3.41Å; S449-A492 WeakPolarHBondContact O-CB 3.24Å |
| 450 | K | 97.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 25.2 Ų | 25.2 | 36% | 0.357 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 171.1 | -67.9 | -177.7 | 177.3 | -173.1 | 0 | 112.2 | V410 A446 V447 L452 A453 H454 A488 | V410-K450 HydrophobicContact CG2-CB 4.18Å; A446-K450 PolarHBondContact O-N 3.2Å; V447-K450 WeakPolarHBondContact O-CB 3.44Å; V447-K450 PolarHBondContact O-N 3.26Å; V447-K450 VanDerWaalsContact O-N 3.15Å; K450-L452 VanDerWaalsContact C-N 3.27Å; K450-L452 PolarHBondContact O-N 3Å; K450-A453 WeakPolarHBondContact O-CB 3.43Å; K450-A453 PolarHBondContact O-N 2.81Å; K450-H454 PolarHBondContact O-CD2 2.84Å; K450-H454 PolarHBondContact O-N 3.28Å; K450-A488 HydrophobicContact CG-CB 4.01Å |
| 451 | C | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.7 | -44.7 | 174.4 | -67 | 0 | 0 | 0 | 0 | 111.4 | L409 V410 M413 L432 V447 A448 S449 H454 L455 | L409-C451 HydrophobicContact CD2-CB 4.27Å; V410-C451 WeakPolarHBondContact CG2-SG 3.41Å; M413-C451 HydrophobicContact CE-CB 3.89Å; L432-C451 HydrophobicContact CD1-CB 3.74Å; L432-C451 HydrophobicContact CD2-CB 3.82Å; L432-C451 HydrophobicContact CG-CB 4.46Å; V447-C451 PolarHBondContact O-N 2.83Å; V447-C451 PolarHBondContact O-SG 3.41Å; V447-C451 VanDerWaalsContact O-SG 3.36Å; A448-C451 WeakPolarHBondContact O-CB 3.39Å; A448-C451 PolarHBondContact O-N 3.14Å; S449-C451 VanDerWaalsContact C-N 3.34Å; S449-C451 PolarHBondContact O-N 3.21Å; C451-H454 PolarHBondContact O-N 2.87Å; C451-L455 WeakPolarHBondContact O-CB 3.19Å; C451-L455 WeakPolarHBondContact O-CG 3.28Å; C451-L455 PolarHBondContact O-N 3.06Å |
| 452 | L | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -36.7 | 179.4 | -139.4 | 113.4 | 0 | 0 | 0 | 112.3 | L432 I436 A448 S449 K450 L455 A456 F463 C470 V474 I496 | L432-L452 HydrophobicContact CB-CD1 3.69Å; L432-L452 HydrophobicContact CD1-CD1 4.26Å; I436-L452 HydrophobicContact CD1-CB 4.4Å; I436-L452 HydrophobicContact CD1-CD1 4.1Å; A448-L452 PolarHBondContact O-N 3.26Å; S449-L452 PolarHBondContact O-N 2.66Å; S449-L452 VanDerWaalsContact O-N 3.14Å; K450-L452 VanDerWaalsContact C-N 3.27Å; K450-L452 PolarHBondContact O-N 3Å; L452-L455 PolarHBondContact O-N 3.18Å; L452-A456 WeakPolarHBondContact O-CB 3.49Å; L452-A456 PolarHBondContact O-N 3.03Å; L452-F463 HydrophobicContact CD2-CZ 4.11Å; L452-F463 HydrophobicContact CG-CZ 4.25Å; L452-C470 HydrophobicContact CD2-CB 3.74Å; L452-V474 HydrophobicContact CD2-CG2 4.32Å; L452-I496 HydrophobicContact CD2-CD1 3.38Å; L452-I496 HydrophobicContact CD2-CG1 3.98Å |
| 453 | A | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S449 K450 A456 S457 E491 A492 A495 | S449-A453 PolarHBondContact O-N 3.42Å; K450-A453 WeakPolarHBondContact O-CB 3.43Å; K450-A453 PolarHBondContact O-N 2.81Å; A453-A456 PolarHBondContact O-N 3.39Å; A453-S457 WeakPolarHBondContact O-CB 3.48Å; A453-S457 PolarHBondContact O-N 3.17Å; A453-S457 PolarHBondContact O-OG 2.89Å; A453-E491 HydrophobicContact CB-CG 4.01Å; A453-A492 HydrophobicContact CB-CB 4.23Å; A453-A495 HydrophobicContact CB-CB 4.1Å; A453-A495 WeakPolarHBondContact O-CB 3.37Å |
| 454 | H | 96.6 | Very high | 95 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 21% | 0.208 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.3 | -36.4 | 176.5 | -72.3 | -59.3 | 0 | 0 | 0 | 112.7 | M413 V414 K450 C451 S457 G458 | M413-H454 HydrophobicContact CB-CB 3.89Å; M413-H454 HydrophobicContact CE-CB 3.83Å; M413-H454 HydrophobicContact SD-CB 4.01Å; V414-H454 VanDerWaalsContact CG2-CE1 3.5Å; V414-H454 WeakPolarHBondContact CG2-CE1 3.46Å; K450-H454 PolarHBondContact O-CD2 2.84Å; K450-H454 PolarHBondContact O-N 3.28Å; C451-H454 PolarHBondContact O-N 2.87Å; H454-S457 PolarHBondContact O-N 2.85Å; H454-G458 WeakPolarHBondContact O-CA 3.25Å; H454-G458 PolarHBondContact O-N 2.8Å |
| 455 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 172 | -77.5 | 169.9 | 0 | 0 | 0 | 111.5 | M413 L419 Y425 L428 V429 L432 C451 L452 G458 L459 F463 | M413-L455 HydrophobicContact SD-CD2 3.85Å; M413-L455 HydrophobicContact SD-CG 3.73Å; L419-L455 HydrophobicContact CD1-CD2 3.82Å; Y425-L455 HydrophobicContact CD1-CD2 3.73Å; Y425-L455 HydrophobicContact CE1-CD2 4.04Å; Y425-L455 HydrophobicContact CG-CD2 4.35Å; L428-L455 HydrophobicContact CD2-CD1 4.2Å; L428-L455 HydrophobicContact CD2-CD2 4.46Å; L428-L455 HydrophobicContact CG-CD1 4.47Å; V429-L455 HydrophobicContact CG2-CD1 4.07Å; L432-L455 HydrophobicContact CD1-CD1 3.58Å; C451-L455 WeakPolarHBondContact O-CB 3.19Å; C451-L455 WeakPolarHBondContact O-CG 3.28Å; C451-L455 PolarHBondContact O-N 3.06Å; L452-L455 PolarHBondContact O-N 3.18Å; L455-G458 PolarHBondContact O-N 3.24Å; L455-L459 WeakPolarHBondContact O-CB 3.12Å; L455-L459 PolarHBondContact O-N 3.5Å; L455-F463 HydrophobicContact CB-CD2 4.25Å; L455-F463 HydrophobicContact CB-CE2 3.88Å |
| 456 | A | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L452 A453 R460 F463 A495 I496 T499 | L452-A456 WeakPolarHBondContact O-CB 3.49Å; L452-A456 PolarHBondContact O-N 3.03Å; A453-A456 PolarHBondContact O-N 3.39Å; A456-R460 WeakPolarHBondContact O-CA 3.48Å; A456-R460 PolarHBondContact O-N 3.3Å; A456-F463 HydrophobicContact CB-CD1 3.75Å; A456-F463 HydrophobicContact CB-CE1 3.95Å; A456-F463 HydrophobicContact CB-CG 4.08Å; A456-F463 HydrophobicContact CB-CZ 4.4Å; A456-A495 HydrophobicContact CB-CB 3.98Å; A456-I496 HydrophobicContact CB-CG1 4.21Å; A456-T499 HydrophobicContact CB-CG2 4.01Å |
| 457 | S | 93.1 | Very high | 94.1 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | A453 H454 R460 | A453-S457 WeakPolarHBondContact O-CB 3.48Å; A453-S457 PolarHBondContact O-N 3.17Å; A453-S457 PolarHBondContact O-OG 2.89Å; H454-S457 PolarHBondContact O-N 2.85Å; S457-R460 WeakPolarHBondContact O-CG 3.44Å |
| 458 | G | 91.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -84.9 | -17.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | W374 P417 L419 H454 L455 | W374-G458 VanDerWaalsContact CZ2-O 3.31Å; W374-G458 WeakPolarHBondContact CZ2-O 3.48Å; P417-G458 WeakPolarHBondContact O-CA 3.46Å; L419-G458 PolarHBondContact N-O 3.05Å; H454-G458 WeakPolarHBondContact O-CA 3.25Å; H454-G458 PolarHBondContact O-N 2.8Å; L455-G458 PolarHBondContact O-N 3.24Å |
| 459 | L | 92.4 | Very high | 93.2 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -106.6 | -18.1 | 173 | -70.4 | 168.4 | 0 | 0 | 0 | 113.1 | L419 P421 Y425 L455 K461 K462 F463 | L419-L459 HydrophobicContact CB-CD2 3.88Å; L419-L459 HydrophobicContact CB-CG 4.09Å; L419-L459 HydrophobicContact CD1-CG 4.31Å; P421-L459 HydrophobicContact CB-CD2 4.22Å; Y425-L459 HydrophobicContact CD2-CD1 3.74Å; Y425-L459 HydrophobicContact CD2-CD2 4.27Å; Y425-L459 HydrophobicContact CE2-CD1 3.98Å; Y425-L459 HydrophobicContact CE2-CD2 3.78Å; Y425-L459 HydrophobicContact CE2-CG 4.38Å; Y425-L459 HydrophobicContact CG-CD1 4.23Å; L455-L459 WeakPolarHBondContact O-CB 3.12Å; L455-L459 PolarHBondContact O-N 3.5Å; L459-K461 PolarHBondContact O-N 3.17Å; L459-K462 HydrophobicContact CB-CB 4.36Å; L459-K462 WeakPolarHBondContact O-CB 3.33Å; L459-K462 PolarHBondContact O-N 2.69Å; L459-F463 HydrophobicContact CB-CB 4.02Å; L459-F463 HydrophobicContact CD1-CD2 4.13Å |
| 460 | R | 91.7 | Very high | 93.1 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 48.9 | -126 | -178.1 | -61.6 | -178.7 | 168 | -173.7 | -12.7 | 111.4 | D372 W374 A456 S457 K462 F463 T499 | D372-R460 IonicContact OD1-CZ 2.79Å; D372-R460 IonicContact OD1-NH1 3.77Å; D372-R460 IonicContact OD1-NH2 3.66Å; D372-R460 PolarHBondContact OD1-NH2 3.3Å; D372-R460 IonicContact OD2-CZ 2.79Å; D372-R460 VanDerWaalsContact OD2-CZ 3.29Å; D372-R460 IonicContact OD2-NH1 4Å; D372-R460 PolarHBondContact OD2-NH1 3.11Å; D372-R460 IonicContact OD2-NH2 3.6Å; D372-R460 PolarHBondContact OD2-NH2 3.29Å; D372-R460 VanDerWaalsContact OD2-NH2 3.09Å; W374-R460 VanDerWaalsContact CB-CZ 3.41Å; W374-R460 VanDerWaalsContact CD2-NE 3.29Å; W374-R460 VanDerWaalsContact CE3-CZ 3.45Å; W374-R460 HydrophobicContact CH2-CB 4.44Å; W374-R460 HydrophobicContact CH2-CG 4.15Å; W374-R460 HydrophobicContact CZ2-CG 3.87Å; A456-R460 WeakPolarHBondContact O-CA 3.48Å; A456-R460 PolarHBondContact O-N 3.3Å; S457-R460 WeakPolarHBondContact O-CG 3.44Å; R460-K462 PolarHBondContact O-N 2.91Å; R460-F463 WeakPolarHBondContact O-CB 3.31Å; R460-F463 PolarHBondContact O-N 3.03Å; R460-T499 WeakPolarHBondContact O-CB 3.4Å; R460-T499 WeakPolarHBondContact O-CG2 3.41Å |
| 461 | K | 87 | Confident | 93.1 | Very high | 175 Ų | 175 | 42 Ų | 42 | 76% | 0.761 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -56.1 | -24.9 | -179.1 | -67.3 | -174.8 | 179.5 | 177.4 | 0 | 113.6 | L459 F463 S464 | L459-K461 PolarHBondContact O-N 3.17Å; K461-F463 PolarHBondContact O-N 2.94Å; K461-S464 VanDerWaalsContact O-CB 3.32Å; K461-S464 WeakPolarHBondContact O-CB 3.44Å; K461-S464 PolarHBondContact O-N 3.35Å; K461-S464 PolarHBondContact O-OG 3.2Å |
| 462 | K | 89.1 | Confident | 92.9 | Very high | 143 Ų | 143 | 44 Ų | 44 | 62% | 0.622 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -73.4 | -14 | 177.1 | -61.9 | -69.2 | -174.8 | 177.6 | 0 | 113.1 | P421 L459 R460 | P421-K462 HydrophobicContact CB-CB 4.1Å; P421-K462 HydrophobicContact CB-CD 4.4Å; P421-K462 HydrophobicContact CB-CG 3.84Å; L459-K462 HydrophobicContact CB-CB 4.36Å; L459-K462 WeakPolarHBondContact O-CB 3.33Å; L459-K462 PolarHBondContact O-N 2.69Å; R460-K462 PolarHBondContact O-N 2.91Å |
| 463 | F | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -81.2 | -12 | 172.3 | -167.8 | -97.7 | 0 | 0 | 0 | 113.5 | V429 L452 L455 A456 L459 R460 K461 S465 F466 A467 I496 T499 | V429-F463 HydrophobicContact CG2-CE2 4.12Å; L452-F463 HydrophobicContact CD2-CZ 4.11Å; L452-F463 HydrophobicContact CG-CZ 4.25Å; L455-F463 HydrophobicContact CB-CD2 4.25Å; L455-F463 HydrophobicContact CB-CE2 3.88Å; A456-F463 HydrophobicContact CB-CD1 3.75Å; A456-F463 HydrophobicContact CB-CE1 3.95Å; A456-F463 HydrophobicContact CB-CG 4.08Å; A456-F463 HydrophobicContact CB-CZ 4.4Å; L459-F463 HydrophobicContact CB-CB 4.02Å; L459-F463 HydrophobicContact CD1-CD2 4.13Å; R460-F463 WeakPolarHBondContact O-CB 3.31Å; R460-F463 PolarHBondContact O-N 3.03Å; K461-F463 PolarHBondContact O-N 2.94Å; F463-S465 PolarHBondContact O-N 2.77Å; F463-S465 VanDerWaalsContact O-N 3.08Å; F463-F466 HydrophobicContact CD1-CB 4.39Å; F463-F466 HydrophobicContact CD2-CB 4.15Å; F463-F466 AromaticContact CD2-CD2 3.85Å; F463-F466 HydrophobicContact CD2-CD2 3.85Å; F463-F466 HydrophobicContact CD2-CG 4.48Å; F463-F466 HydrophobicContact CE1-CB 4.11Å; F463-F466 HydrophobicContact CE2-CB 3.88Å; F463-F466 HydrophobicContact CE2-CD2 4.09Å; F463-F466 HydrophobicContact CE2-CG 4.38Å; F463-F466 HydrophobicContact CG-CB 4.4Å; F463-F466 HydrophobicContact CG-CD2 4.44Å; F463-F466 HydrophobicContact CZ-CB 3.85Å; F463-F466 WeakPolarHBondContact O-CA 3.47Å; F463-F466 WeakPolarHBondContact O-CB 3.46Å; F463-F466 PolarHBondContact O-N 2.76Å; F463-A467 HydrophobicContact CD1-CB 4.12Å; F463-A467 HydrophobicContact CE1-CB 4.32Å; F463-A467 PolarHBondContact O-N 2.92Å; F463-I496 HydrophobicContact CE1-CG1 3.99Å; F463-I496 HydrophobicContact CE1-CG2 4.4Å; F463-T499 HydrophobicContact CB-CG2 4.02Å; F463-T499 HydrophobicContact CD1-CG2 4.23Å |
| 464 | S | 90.4 | Very high | 92.7 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -52.8 | -34.3 | -176.4 | 55 | 0 | 0 | 0 | 0 | 114.1 | K461 F466 A467 T499 | K461-S464 VanDerWaalsContact O-CB 3.32Å; K461-S464 WeakPolarHBondContact O-CB 3.44Å; K461-S464 PolarHBondContact O-N 3.35Å; K461-S464 PolarHBondContact O-OG 3.2Å; S464-F466 PolarHBondContact O-N 2.96Å; S464-A467 PolarHBondContact O-N 2.9Å; S464-T499 WeakPolarHBondContact CB-O 3.45Å |
| 465 | S | 88.5 | Confident | 92.6 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 57% | 0.573 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.6 | -28.6 | 175.1 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | F463 | F463-S465 PolarHBondContact O-N 2.77Å; F463-S465 VanDerWaalsContact O-N 3.08Å |
| 466 | F | 93.7 | Very high | 92.3 | Very high | 41 Ų | 41 | 45 Ų | 45 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -96.6 | -24.1 | 177.9 | -57.2 | -54.8 | 0 | 0 | 0 | 113 | V429 F463 S464 I468 M469 C470 | V429-F466 HydrophobicContact CB-CD1 4.34Å; V429-F466 HydrophobicContact CB-CG 4.47Å; V429-F466 HydrophobicContact CG1-CB 3.96Å; V429-F466 HydrophobicContact CG1-CD1 4.07Å; V429-F466 HydrophobicContact CG1-CG 4.08Å; V429-F466 HydrophobicContact CG2-CD1 4.4Å; V429-F466 HydrophobicContact CG2-CD2 4.24Å; V429-F466 HydrophobicContact CG2-CG 4.14Å; F463-F466 HydrophobicContact CD1-CB 4.39Å; F463-F466 HydrophobicContact CD2-CB 4.15Å; F463-F466 AromaticContact CD2-CD2 3.85Å; F463-F466 HydrophobicContact CD2-CD2 3.85Å; F463-F466 HydrophobicContact CD2-CG 4.48Å; F463-F466 HydrophobicContact CE1-CB 4.11Å; F463-F466 HydrophobicContact CE2-CB 3.88Å; F463-F466 HydrophobicContact CE2-CD2 4.09Å; F463-F466 HydrophobicContact CE2-CG 4.38Å; F463-F466 HydrophobicContact CG-CB 4.4Å; F463-F466 HydrophobicContact CG-CD2 4.44Å; F463-F466 HydrophobicContact CZ-CB 3.85Å; F463-F466 WeakPolarHBondContact O-CA 3.47Å; F463-F466 WeakPolarHBondContact O-CB 3.46Å; F463-F466 PolarHBondContact O-N 2.76Å; S464-F466 PolarHBondContact O-N 2.96Å; F466-I468 PolarHBondContact O-N 2.8Å; F466-M469 WeakPolarHBondContact O-CG 3.48Å; F466-M469 PolarHBondContact O-N 3.25Å; F466-C470 PolarHBondContact O-N 3.3Å; F466-C470 PolarHBondContact O-SG 3.4Å |
| 467 | A | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F463 S464 M469 C470 Y471 I496 T499 V500 | F463-A467 HydrophobicContact CD1-CB 4.12Å; F463-A467 HydrophobicContact CE1-CB 4.32Å; F463-A467 PolarHBondContact O-N 2.92Å; S464-A467 PolarHBondContact O-N 2.9Å; A467-M469 PolarHBondContact O-N 3.46Å; A467-C470 PolarHBondContact O-N 3.49Å; A467-C470 VanDerWaalsContact O-N 3.08Å; A467-Y471 VanDerWaalsContact O-CB 3.28Å; A467-Y471 WeakPolarHBondContact O-CB 3.42Å; A467-Y471 PolarHBondContact O-N 2.85Å; A467-I496 HydrophobicContact CB-CG2 3.64Å; A467-T499 WeakPolarHBondContact CB-OG1 3.4Å; A467-V500 HydrophobicContact CB-CG1 3.47Å; A467-V500 VanDerWaalsContact CB-CG1 3.47Å |
| 468 | I | 87.1 | Confident | 92.3 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 55% | 0.554 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -57.9 | -37.4 | -175.8 | -59.7 | 173.9 | 0 | 0 | 0 | 111.6 | F466 P472 | F466-I468 PolarHBondContact O-N 2.8Å; I468-P472 WeakPolarHBondContact O-CD 3.44Å |
| 469 | M | 89.7 | Confident | 92.3 | Very high | 80 Ų | 80 | 48.7 Ų | 48.7 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -83.5 | -20.6 | -178.9 | 64.8 | -177 | -68 | 0 | 0 | 114 | K433 F466 A467 | K433-M469 HydrophobicContact CD-CE 4.08Å; K433-M469 WeakPolarHBondContact CE-O 3.48Å; K433-M469 PolarHBondContact NZ-O 3.39Å; F466-M469 WeakPolarHBondContact O-CG 3.48Å; F466-M469 PolarHBondContact O-N 3.25Å; A467-M469 PolarHBondContact O-N 3.46Å |
| 470 | C | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -94.7 | -39 | -179.2 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | L452 F466 A467 V473 V474 I496 | L452-C470 HydrophobicContact CD2-CB 3.74Å; F466-C470 PolarHBondContact O-N 3.3Å; F466-C470 PolarHBondContact O-SG 3.4Å; A467-C470 PolarHBondContact O-N 3.49Å; A467-C470 VanDerWaalsContact O-N 3.08Å; C470-V473 WeakPolarHBondContact O-CA 3.46Å; C470-V473 WeakPolarHBondContact O-CB 3.3Å; C470-V473 PolarHBondContact O-N 2.86Å; C470-V474 WeakPolarHBondContact O-CG2 3.38Å; C470-V474 PolarHBondContact O-N 3.05Å; C470-I496 HydrophobicContact CB-CD1 4.31Å |
| 471 | Y | 96.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.6 | -48.6 | -174.4 | -176.7 | -98.3 | 0 | 0 | 0 | 113.7 | A467 V473 V474 L475 V493 I496 I505 T509 F527 | A467-Y471 VanDerWaalsContact O-CB 3.28Å; A467-Y471 WeakPolarHBondContact O-CB 3.42Å; A467-Y471 PolarHBondContact O-N 2.85Å; Y471-V473 VanDerWaalsContact C-N 3.27Å; Y471-V473 PolarHBondContact O-N 3.09Å; Y471-V474 PolarHBondContact O-N 3.11Å; Y471-L475 HydrophobicContact CD1-CD1 3.77Å; Y471-L475 HydrophobicContact CD1-CG 4.45Å; Y471-L475 HydrophobicContact CE1-CD1 3.21Å; Y471-L475 HydrophobicContact CE1-CG 4.1Å; Y471-L475 HydrophobicContact CE2-CD1 4.4Å; Y471-L475 WeakPolarHBondContact O-CB 3.28Å; Y471-L475 PolarHBondContact O-N 3.25Å; Y471-V493 HydrophobicContact CE2-CG1 3.79Å; Y471-I496 HydrophobicContact CD2-CB 4.49Å; Y471-I496 HydrophobicContact CD2-CG2 4.07Å; Y471-I505 HydrophobicContact CD1-CB 3.97Å; Y471-I505 HydrophobicContact CD1-CG2 3.8Å; Y471-I505 HydrophobicContact CD2-CG2 4.4Å; Y471-I505 HydrophobicContact CE1-CB 3.61Å; Y471-I505 HydrophobicContact CE1-CD1 4.42Å; Y471-I505 HydrophobicContact CE1-CG2 3.96Å; Y471-I505 HydrophobicContact CE2-CD1 4.03Å; Y471-I505 HydrophobicContact CG-CG2 4.03Å; Y471-T509 PolarHBondContact OH-OG1 3.32Å; Y471-F527 HydrophobicContact CE2-CZ 4.36Å; Y471-F527 WeakPolarHBondContact OH-CE1 3.39Å; Y471-F527 WeakPolarHBondContact OH-CZ 3.43Å |
| 472 | P | 93.5 | Very high | 92 | Very high | 43 Ų | 43 | 55 Ų | 55 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.7 | -28.5 | 178.2 | -19.6 | 33.4 | 0 | 0 | 0 | 113.4 | I468 G476 E508 | I468-P472 WeakPolarHBondContact O-CD 3.44Å; P472-G476 PolarHBondContact O-N 3.07Å; P472-E508 HydrophobicContact CG-CB 4.38Å; P472-E508 HydrophobicContact CG-CG 3.98Å |
| 473 | V | 94.4 | Very high | 92 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.8 | -44.9 | 180 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | K433 I436 C470 Y471 G476 R477 | K433-V473 HydrophobicContact CD-CG2 4.21Å; K433-V473 HydrophobicContact CG-CB 4.47Å; K433-V473 HydrophobicContact CG-CG1 4.26Å; K433-V473 HydrophobicContact CG-CG2 4.08Å; I436-V473 HydrophobicContact CG2-CG1 4.3Å; C470-V473 WeakPolarHBondContact O-CA 3.46Å; C470-V473 WeakPolarHBondContact O-CB 3.3Å; C470-V473 PolarHBondContact O-N 2.86Å; Y471-V473 VanDerWaalsContact C-N 3.27Å; Y471-V473 PolarHBondContact O-N 3.09Å; V473-G476 PolarHBondContact O-N 2.92Å; V473-R477 PolarHBondContact O-N 3.18Å; V473-R477 VanDerWaalsContact O-N 3.13Å |
| 474 | V | 96.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | I436 L452 C470 Y471 G476 R477 L478 L489 A492 V493 I496 | I436-V474 HydrophobicContact CD1-CG2 4.37Å; L452-V474 HydrophobicContact CD2-CG2 4.32Å; C470-V474 WeakPolarHBondContact O-CG2 3.38Å; C470-V474 PolarHBondContact O-N 3.05Å; Y471-V474 PolarHBondContact O-N 3.11Å; V474-G476 VanDerWaalsContact C-N 3.34Å; V474-G476 PolarHBondContact O-N 2.86Å; V474-R477 PolarHBondContact O-N 3.26Å; V474-L478 PolarHBondContact O-N 3.49Å; V474-L489 HydrophobicContact CG1-CB 4.3Å; V474-L489 HydrophobicContact CG1-CD2 3.79Å; V474-L489 WeakPolarHBondContact CG1-O 3.4Å; V474-A492 HydrophobicContact CG1-CB 3.99Å; V474-V493 HydrophobicContact CB-CG2 4.14Å; V474-V493 HydrophobicContact CG1-CG2 3.49Å; V474-V493 VanDerWaalsContact CG1-CG2 3.49Å; V474-I496 HydrophobicContact CG2-CD1 4Å |
| 475 | L | 94.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 174.3 | -82.6 | -179.5 | 0 | 0 | 0 | 112.1 | Y471 R477 L478 V493 A512 | Y471-L475 HydrophobicContact CD1-CD1 3.77Å; Y471-L475 HydrophobicContact CD1-CG 4.45Å; Y471-L475 HydrophobicContact CE1-CD1 3.21Å; Y471-L475 HydrophobicContact CE1-CG 4.1Å; Y471-L475 HydrophobicContact CE2-CD1 4.4Å; Y471-L475 WeakPolarHBondContact O-CB 3.28Å; Y471-L475 PolarHBondContact O-N 3.25Å; L475-R477 PolarHBondContact O-N 2.95Å; L475-L478 HydrophobicContact CD2-CD1 3.78Å; L475-L478 WeakPolarHBondContact O-CB 3.37Å; L475-L478 PolarHBondContact O-N 3Å; L475-L478 VanDerWaalsContact O-N 3.16Å; L475-V493 HydrophobicContact CD2-CG1 4.18Å; L475-V493 HydrophobicContact CD2-CG2 4.18Å; L475-V493 HydrophobicContact CG-CG2 4.47Å; L475-A512 HydrophobicContact CB-CB 4.41Å; L475-A512 HydrophobicContact CD1-CB 3.99Å |
| 476 | G | 90.7 | Very high | 92.1 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -20.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P472 V473 V474 | P472-G476 PolarHBondContact O-N 3.07Å; V473-G476 PolarHBondContact O-N 2.92Å; V474-G476 VanDerWaalsContact C-N 3.34Å; V474-G476 PolarHBondContact O-N 2.86Å |
| 477 | R | 93.7 | Very high | 92.2 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -87.8 | -8.4 | 177.6 | -159.5 | 55.8 | 151.7 | 151 | -6.6 | 113.1 | I436 D439 V445 V473 V474 L475 K479 E480 L489 | I436-R477 HydrophobicContact CG2-CB 4.11Å; I436-R477 HydrophobicContact CG2-CG 4.08Å; I436-R477 WeakPolarHBondContact O-CD 3.44Å; I436-R477 PolarHBondContact O-NE 3.48Å; D439-R477 PolarHBondContact O-NH2 3.32Å; V445-R477 HydrophobicContact CG1-CG 4.13Å; V473-R477 PolarHBondContact O-N 3.18Å; V473-R477 VanDerWaalsContact O-N 3.13Å; V474-R477 PolarHBondContact O-N 3.26Å; L475-R477 PolarHBondContact O-N 2.95Å; R477-K479 PolarHBondContact O-N 2.86Å; R477-E480 HydrophobicContact CG-CG 4.43Å; R477-E480 IonicContact CZ-OE1 2.8Å; R477-E480 IonicContact NE-OE1 3.25Å; R477-E480 IonicContact NH1-OE1 2.69Å; R477-E480 PolarHBondContact NH1-OE1 2.92Å; R477-E480 WeakPolarHBondContact O-CG 3.3Å; R477-E480 PolarHBondContact O-N 3.44Å; R477-L489 HydrophobicContact CB-CD1 4.17Å; R477-L489 HydrophobicContact CB-CD2 3.96Å; R477-L489 HydrophobicContact CG-CD1 4.06Å; R477-L489 HydrophobicContact CG-CD2 4.1Å; R477-L489 WeakPolarHBondContact O-CD1 3.2Å |
| 478 | L | 94.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 2.1 | 172.3 | -68.6 | 166.7 | 0 | 0 | 0 | 114.4 | V474 L475 E480 L489 V490 V493 Q523 | V474-L478 PolarHBondContact O-N 3.49Å; L475-L478 HydrophobicContact CD2-CD1 3.78Å; L475-L478 WeakPolarHBondContact O-CB 3.37Å; L475-L478 PolarHBondContact O-N 3Å; L475-L478 VanDerWaalsContact O-N 3.16Å; L478-E480 PolarHBondContact O-N 3.37Å; L478-L489 HydrophobicContact CD2-CB 3.58Å; L478-L489 HydrophobicContact CD2-CD1 4.37Å; L478-L489 HydrophobicContact CG-CB 4.42Å; L478-V490 HydrophobicContact CD2-CG2 3.94Å; L478-V493 HydrophobicContact CD1-CG2 4.3Å; L478-Q523 HydrophobicContact CB-CB 4.06Å; L478-Q523 HydrophobicContact CB-CG 4.39Å; L478-Q523 HydrophobicContact CD1-CB 3.79Å; L478-Q523 HydrophobicContact CD2-CB 4.09Å; L478-Q523 HydrophobicContact CD2-CG 4.27Å; L478-Q523 HydrophobicContact CG-CB 4.21Å |
| 479 | K | 91.1 | Very high | 92.9 | Very high | 112 Ų | 112 | 49.6 Ų | 49.6 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.3 | 167.5 | 67.5 | 178.5 | -177.3 | 177.1 | 0 | 113.6 | R477 V520 | R477-K479 PolarHBondContact O-N 2.86Å; K479-V520 HydrophobicContact CB-CG2 3.8Å |
| 480 | E | 92.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | trans | -63.5 | 150.4 | 175.6 | -66.7 | -54.2 | 143.1 | 0 | 0 | 111.5 | R477 L478 V485 V486 L489 | R477-E480 HydrophobicContact CG-CG 4.43Å; R477-E480 IonicContact CZ-OE1 2.8Å; R477-E480 IonicContact NE-OE1 3.25Å; R477-E480 IonicContact NH1-OE1 2.69Å; R477-E480 PolarHBondContact NH1-OE1 2.92Å; R477-E480 WeakPolarHBondContact O-CG 3.3Å; R477-E480 PolarHBondContact O-N 3.44Å; L478-E480 PolarHBondContact O-N 3.37Å; E480-V485 HydrophobicContact CB-CG1 4.13Å; E480-V485 HydrophobicContact CG-CG1 4.05Å; E480-V486 HydrophobicContact CB-CG2 4.43Å; E480-V486 WeakPolarHBondContact O-CG2 3.29Å; E480-L489 HydrophobicContact CG-CD1 4.45Å | ||
| 481 | R | 85.6 | Confident | 93.3 | Very high | 234 Ų | 234 | 50.7 Ų | 50.7 | 88% | 0.883 | 26% | 0.258 | S | S | * | . | trans | -106.2 | -21.5 | -176.3 | -62.1 | -173.9 | -178.3 | -144.3 | 0.7 | 114.3 | P483 | R481-P483 WeakPolarHBondContact O-CD 3.38Š| ||
| 482 | K | 88.1 | Confident | 93.3 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | trans | -72.4 | 122 | -176 | -70.6 | -169.5 | -178.5 | -177.9 | 0 | 109.8 | V442 V484 V485 V486 | V442-K482 HydrophobicContact CG2-CD 4.03Å; K482-V484 VanDerWaalsContact C-N 3.27Å; K482-V484 PolarHBondContact O-N 3.09Å; K482-V484 VanDerWaalsContact O-N 3.17Å; K482-V485 HydrophobicContact CB-CB 4.36Å; K482-V485 HydrophobicContact CB-CG2 3.86Å; K482-V485 PolarHBondContact O-N 3.24Å; K482-V486 WeakPolarHBondContact O-CG2 3.12Å; K482-V486 PolarHBondContact O-N 3.5Å | ||
| 483 | P | 90.1 | Very high | 93.5 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 60% | 0.597 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -54.2 | -40 | -176.2 | -28.9 | 35.1 | 0 | 0 | 0 | 113.8 | R481 V485 V486 N487 | R481-P483 WeakPolarHBondContact O-CD 3.38Å; P483-V485 VanDerWaalsContact C-N 3.25Å; P483-V485 PolarHBondContact O-N 3.45Å; P483-V486 PolarHBondContact O-N 2.84Å; P483-N487 VanDerWaalsContact O-CB 3.23Å; P483-N487 WeakPolarHBondContact O-CB 3.26Å; P483-N487 PolarHBondContact O-N 2.92Å; P483-N487 PolarHBondContact O-ND2 3.18Å; P483-N487 PolarHBondContact O-OD1 3.26Å |
| 484 | V | 88.2 | Confident | 93.5 | Very high | 99 Ų | 99 | 49 Ų | 49 | 60% | 0.6 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -58 | -38.7 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | K482 A488 | K482-V484 VanDerWaalsContact C-N 3.27Å; K482-V484 PolarHBondContact O-N 3.09Å; K482-V484 VanDerWaalsContact O-N 3.17Å; V484-A488 WeakPolarHBondContact O-CB 3.49Å; V484-A488 PolarHBondContact O-N 3.23Å |
| 485 | V | 93.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -79.6 | -44.4 | -179 | -173.1 | 0 | 0 | 0 | 0 | 110 | V442 V445 A446 E480 K482 P483 N487 A488 L489 | V442-V485 HydrophobicContact CB-CG2 3.93Å; V442-V485 HydrophobicContact CG2-CG2 4.15Å; V445-V485 HydrophobicContact CG1-CG1 4.34Å; A446-V485 HydrophobicContact CB-CB 4.45Å; A446-V485 HydrophobicContact CB-CG1 4.46Å; A446-V485 HydrophobicContact CB-CG2 4.21Å; E480-V485 HydrophobicContact CB-CG1 4.13Å; E480-V485 HydrophobicContact CG-CG1 4.05Å; K482-V485 HydrophobicContact CB-CB 4.36Å; K482-V485 HydrophobicContact CB-CG2 3.86Å; K482-V485 PolarHBondContact O-N 3.24Å; P483-V485 VanDerWaalsContact C-N 3.25Å; P483-V485 PolarHBondContact O-N 3.45Å; V485-N487 PolarHBondContact O-N 3.01Å; V485-A488 PolarHBondContact O-N 3.33Å; V485-L489 HydrophobicContact CG1-CD1 4.06Å; V485-L489 VanDerWaalsContact O-CG 3.32Å; V485-L489 WeakPolarHBondContact O-CG 3.14Å; V485-L489 PolarHBondContact O-N 3.42Å |
| 486 | V | 94.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | E480 K482 P483 A488 L489 V490 Q523 | E480-V486 HydrophobicContact CB-CG2 4.43Å; E480-V486 WeakPolarHBondContact O-CG2 3.29Å; K482-V486 WeakPolarHBondContact O-CG2 3.12Å; K482-V486 PolarHBondContact O-N 3.5Å; P483-V486 PolarHBondContact O-N 2.84Å; V486-A488 PolarHBondContact O-N 2.92Å; V486-L489 PolarHBondContact O-N 3.26Å; V486-V490 HydrophobicContact CG1-CG2 4.23Å; V486-V490 WeakPolarHBondContact O-CB 3.43Å; V486-V490 VanDerWaalsContact O-CG2 3.3Å; V486-V490 WeakPolarHBondContact O-CG2 3.48Å; V486-V490 PolarHBondContact O-N 2.92Å; V486-Q523 HydrophobicContact CG1-CG 4.04Å |
| 487 | N | 95.3 | Very high | 93.6 | Very high | 105 Ų | 105 | 47.9 Ų | 47.9 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.4 | -42.7 | 178.3 | -68.9 | -7.1 | 0 | 0 | 0 | 111.9 | P483 V485 L489 V490 E491 | P483-N487 VanDerWaalsContact O-CB 3.23Å; P483-N487 WeakPolarHBondContact O-CB 3.26Å; P483-N487 PolarHBondContact O-N 2.92Å; P483-N487 PolarHBondContact O-ND2 3.18Å; P483-N487 PolarHBondContact O-OD1 3.26Å; V485-N487 PolarHBondContact O-N 3.01Å; N487-L489 VanDerWaalsContact C-N 3.34Å; N487-L489 PolarHBondContact O-N 3.14Å; N487-V490 PolarHBondContact O-N 3.15Å; N487-E491 WeakPolarHBondContact O-CB 3.43Å; N487-E491 PolarHBondContact O-N 3.08Å |
| 488 | A | 96.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A446 S449 K450 V484 V485 V486 A492 | A446-A488 HydrophobicContact CB-CB 4.17Å; A446-A488 WeakPolarHBondContact O-CB 3.48Å; S449-A488 WeakPolarHBondContact CB-O 3.23Å; K450-A488 HydrophobicContact CG-CB 4.01Å; V484-A488 WeakPolarHBondContact O-CB 3.49Å; V484-A488 PolarHBondContact O-N 3.23Å; V485-A488 PolarHBondContact O-N 3.33Å; V486-A488 PolarHBondContact O-N 2.92Å; A488-A492 PolarHBondContact O-N 3.28Å; A488-A492 VanDerWaalsContact O-N 3.11Å |
| 489 | L | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 174.2 | -71.9 | 165.6 | 0 | 0 | 0 | 111.4 | I436 S449 V474 R477 L478 E480 V485 V486 N487 A492 V493 | I436-L489 HydrophobicContact CG2-CD2 4.08Å; S449-L489 VanDerWaalsContact OG-CD2 3.25Å; S449-L489 WeakPolarHBondContact OG-CD2 3.41Å; V474-L489 HydrophobicContact CG1-CB 4.3Å; V474-L489 HydrophobicContact CG1-CD2 3.79Å; V474-L489 WeakPolarHBondContact CG1-O 3.4Å; R477-L489 HydrophobicContact CB-CD1 4.17Å; R477-L489 HydrophobicContact CB-CD2 3.96Å; R477-L489 HydrophobicContact CG-CD1 4.06Å; R477-L489 HydrophobicContact CG-CD2 4.1Å; R477-L489 WeakPolarHBondContact O-CD1 3.2Å; L478-L489 HydrophobicContact CD2-CB 3.58Å; L478-L489 HydrophobicContact CD2-CD1 4.37Å; L478-L489 HydrophobicContact CG-CB 4.42Å; E480-L489 HydrophobicContact CG-CD1 4.45Å; V485-L489 HydrophobicContact CG1-CD1 4.06Å; V485-L489 VanDerWaalsContact O-CG 3.32Å; V485-L489 WeakPolarHBondContact O-CG 3.14Å; V485-L489 PolarHBondContact O-N 3.42Å; V486-L489 PolarHBondContact O-N 3.26Å; N487-L489 VanDerWaalsContact C-N 3.34Å; N487-L489 PolarHBondContact O-N 3.14Å; L489-A492 WeakPolarHBondContact O-CB 3.4Å; L489-A492 PolarHBondContact O-N 3.47Å; L489-V493 WeakPolarHBondContact O-CG2 3.45Å; L489-V493 PolarHBondContact O-N 2.8Å |
| 490 | V | 96.7 | Very high | 93.4 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 175.5 | 164.1 | 0 | 0 | 0 | 0 | 110.6 | L478 V486 N487 A492 V493 D494 R530 | L478-V490 HydrophobicContact CD2-CG2 3.94Å; V486-V490 HydrophobicContact CG1-CG2 4.23Å; V486-V490 WeakPolarHBondContact O-CB 3.43Å; V486-V490 VanDerWaalsContact O-CG2 3.3Å; V486-V490 WeakPolarHBondContact O-CG2 3.48Å; V486-V490 PolarHBondContact O-N 2.92Å; N487-V490 PolarHBondContact O-N 3.15Å; V490-A492 VanDerWaalsContact C-N 3.27Å; V490-A492 PolarHBondContact O-N 3.24Å; V490-V493 PolarHBondContact O-N 3.46Å; V490-V493 VanDerWaalsContact O-N 3.15Å; V490-D494 WeakPolarHBondContact O-CB 3.31Å; V490-D494 PolarHBondContact O-N 2.88Å; V490-R530 VanDerWaalsContact CG1-NH2 3.34Å |
| 491 | E | 96.5 | Very high | 93.2 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 39% | 0.393 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.1 | -41.6 | 175 | -170 | -176.5 | 173.4 | 0 | 0 | 111.5 | A453 N487 A495 | A453-E491 HydrophobicContact CB-CG 4.01Å; N487-E491 WeakPolarHBondContact O-CB 3.43Å; N487-E491 PolarHBondContact O-N 3.08Å; E491-A495 VanDerWaalsContact O-CB 3.26Å; E491-A495 WeakPolarHBondContact O-CB 3.33Å; E491-A495 PolarHBondContact O-N 2.77Å |
| 492 | A | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S449 A453 V474 A488 L489 V490 D494 A495 I496 | S449-A492 WeakPolarHBondContact O-CB 3.24Å; A453-A492 HydrophobicContact CB-CB 4.23Å; V474-A492 HydrophobicContact CG1-CB 3.99Å; A488-A492 PolarHBondContact O-N 3.28Å; A488-A492 VanDerWaalsContact O-N 3.11Å; L489-A492 WeakPolarHBondContact O-CB 3.4Å; L489-A492 PolarHBondContact O-N 3.47Å; V490-A492 VanDerWaalsContact C-N 3.27Å; V490-A492 PolarHBondContact O-N 3.24Å; A492-D494 PolarHBondContact O-N 3.37Å; A492-A495 PolarHBondContact O-N 2.76Å; A492-I496 WeakPolarHBondContact O-CB 3.49Å; A492-I496 VanDerWaalsContact O-CD1 3.28Å; A492-I496 WeakPolarHBondContact O-CD1 3.49Å; A492-I496 WeakPolarHBondContact O-CG1 3.31Å; A492-I496 PolarHBondContact O-N 3.3Å |
| 493 | V | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | Y471 V474 L475 L478 L489 V490 A495 I496 S497 F527 | Y471-V493 HydrophobicContact CE2-CG1 3.79Å; V474-V493 HydrophobicContact CB-CG2 4.14Å; V474-V493 HydrophobicContact CG1-CG2 3.49Å; V474-V493 VanDerWaalsContact CG1-CG2 3.49Å; L475-V493 HydrophobicContact CD2-CG1 4.18Å; L475-V493 HydrophobicContact CD2-CG2 4.18Å; L475-V493 HydrophobicContact CG-CG2 4.47Å; L478-V493 HydrophobicContact CD1-CG2 4.3Å; L489-V493 WeakPolarHBondContact O-CG2 3.45Å; L489-V493 PolarHBondContact O-N 2.8Å; V490-V493 PolarHBondContact O-N 3.46Å; V490-V493 VanDerWaalsContact O-N 3.15Å; V493-A495 VanDerWaalsContact C-N 3.34Å; V493-A495 PolarHBondContact O-N 3.16Å; V493-I496 PolarHBondContact O-N 2.91Å; V493-S497 WeakPolarHBondContact O-CB 3.49Å; V493-S497 PolarHBondContact O-N 3.47Å; V493-S497 PolarHBondContact O-OG 3.14Å; V493-F527 HydrophobicContact CG1-CD2 3.54Å; V493-F527 HydrophobicContact CG1-CE2 3.72Å; V493-F527 HydrophobicContact CG1-CG 3.96Å; V493-F527 HydrophobicContact CG1-CZ 4.3Å |
| 494 | D | 94.9 | Very high | 93.1 | Very high | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -35.8 | -178.7 | -68.9 | -3.9 | 0 | 0 | 0 | 111.5 | V490 A492 S497 K498 F527 R530 | V490-D494 WeakPolarHBondContact O-CB 3.31Å; V490-D494 PolarHBondContact O-N 2.88Å; A492-D494 PolarHBondContact O-N 3.37Å; D494-S497 PolarHBondContact O-OG 2.95Å; D494-S497 VanDerWaalsContact O-OG 3.05Å; D494-K498 WeakPolarHBondContact O-CD 3.46Å; D494-K498 WeakPolarHBondContact O-CG 3.43Å; D494-F527 VanDerWaalsContact OD1-CD2 3.32Å; D494-F527 WeakPolarHBondContact OD1-CD2 3.45Å; D494-R530 IonicContact OD1-CZ 3.32Å; D494-R530 IonicContact OD1-NE 3Å; D494-R530 IonicContact OD1-NH2 3.54Å; D494-R530 PolarHBondContact OD1-NH2 3.16Å; D494-R530 VanDerWaalsContact OD1-NH2 3.15Å; D494-R530 IonicContact OD2-CZ 2.61Å; D494-R530 IonicContact OD2-NE 3.07Å; D494-R530 PolarHBondContact OD2-NE 3.4Å; D494-R530 VanDerWaalsContact OD2-NE 3.16Å; D494-R530 IonicContact OD2-NH2 3.99Å |
| 495 | A | 95.2 | Very high | 93.3 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.3 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A453 A456 E491 A492 V493 K498 T499 | A453-A495 HydrophobicContact CB-CB 4.1Å; A453-A495 WeakPolarHBondContact O-CB 3.37Å; A456-A495 HydrophobicContact CB-CB 3.98Å; E491-A495 VanDerWaalsContact O-CB 3.26Å; E491-A495 WeakPolarHBondContact O-CB 3.33Å; E491-A495 PolarHBondContact O-N 2.77Å; A492-A495 PolarHBondContact O-N 2.76Å; V493-A495 VanDerWaalsContact C-N 3.34Å; V493-A495 PolarHBondContact O-N 3.16Å; A495-K498 PolarHBondContact O-N 3.27Å; A495-T499 WeakPolarHBondContact O-CG2 3.4Å |
| 496 | I | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 179.6 | -65.1 | 162.4 | 0 | 0 | 0 | 110.6 | L452 A456 F463 A467 C470 Y471 V474 A492 V493 K498 T499 | L452-I496 HydrophobicContact CD2-CD1 3.38Å; L452-I496 HydrophobicContact CD2-CG1 3.98Å; A456-I496 HydrophobicContact CB-CG1 4.21Å; F463-I496 HydrophobicContact CE1-CG1 3.99Å; F463-I496 HydrophobicContact CE1-CG2 4.4Å; A467-I496 HydrophobicContact CB-CG2 3.64Å; C470-I496 HydrophobicContact CB-CD1 4.31Å; Y471-I496 HydrophobicContact CD2-CB 4.49Å; Y471-I496 HydrophobicContact CD2-CG2 4.07Å; V474-I496 HydrophobicContact CG2-CD1 4Å; A492-I496 WeakPolarHBondContact O-CB 3.49Å; A492-I496 VanDerWaalsContact O-CD1 3.28Å; A492-I496 WeakPolarHBondContact O-CD1 3.49Å; A492-I496 WeakPolarHBondContact O-CG1 3.31Å; A492-I496 PolarHBondContact O-N 3.3Å; V493-I496 PolarHBondContact O-N 2.91Å; I496-K498 VanDerWaalsContact C-N 3.26Å; I496-K498 PolarHBondContact O-N 3.27Å; I496-T499 WeakPolarHBondContact O-CB 3.34Å; I496-T499 PolarHBondContact O-N 2.84Å; I496-T499 PolarHBondContact O-OG1 3.5Å |
| 497 | S | 92.1 | Very high | 93 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -34.4 | -177.3 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | V493 D494 T499 V500 | V493-S497 WeakPolarHBondContact O-CB 3.49Å; V493-S497 PolarHBondContact O-N 3.47Å; V493-S497 PolarHBondContact O-OG 3.14Å; D494-S497 PolarHBondContact O-OG 2.95Å; D494-S497 VanDerWaalsContact O-OG 3.05Å; S497-T499 PolarHBondContact O-N 3.47Å; S497-T499 VanDerWaalsContact O-N 3.16Å; S497-V500 PolarHBondContact O-N 2.87Å |
| 498 | K | 90.6 | Very high | 92.8 | Very high | 169 Ų | 169 | 38.1 Ų | 38.1 | 74% | 0.735 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.1 | 174.2 | -69.5 | 171.3 | -175.2 | 177.5 | 0 | 114.1 | D494 A495 I496 | D494-K498 WeakPolarHBondContact O-CD 3.46Å; D494-K498 WeakPolarHBondContact O-CG 3.43Å; A495-K498 PolarHBondContact O-N 3.27Å; I496-K498 VanDerWaalsContact C-N 3.26Å; I496-K498 PolarHBondContact O-N 3.27Å |
| 499 | T | 92.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 38 Ų | 38 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -10.8 | -178.4 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | A456 R460 F463 S464 A467 A495 I496 S497 | A456-T499 HydrophobicContact CB-CG2 4.01Å; R460-T499 WeakPolarHBondContact O-CB 3.4Å; R460-T499 WeakPolarHBondContact O-CG2 3.41Å; F463-T499 HydrophobicContact CB-CG2 4.02Å; F463-T499 HydrophobicContact CD1-CG2 4.23Å; S464-T499 WeakPolarHBondContact CB-O 3.45Å; A467-T499 WeakPolarHBondContact CB-OG1 3.4Å; A495-T499 WeakPolarHBondContact O-CG2 3.4Å; I496-T499 WeakPolarHBondContact O-CB 3.34Å; I496-T499 PolarHBondContact O-N 2.84Å; I496-T499 PolarHBondContact O-OG1 3.5Å; S497-T499 PolarHBondContact O-N 3.47Å; S497-T499 VanDerWaalsContact O-N 3.16Å |
| 500 | V | 91.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 13% | 0.127 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -132.2 | 162.5 | -176.1 | -69.4 | 0 | 0 | 0 | 0 | 110.8 | A467 S497 I505 | A467-V500 HydrophobicContact CB-CG1 3.47Å; A467-V500 VanDerWaalsContact CB-CG1 3.47Å; S497-V500 PolarHBondContact O-N 2.87Å; V500-I505 HydrophobicContact CG2-CD1 4.39Å; V500-I505 HydrophobicContact CG2-CG2 3.66Å |
| 501 | S | 87.8 | Confident | 92.4 | Very high | 62 Ų | 62 | 44.6 Ų | 44.6 | 43% | 0.434 | 23% | 0.229 | S | C | . | . | trans | -72.2 | 150.6 | 170.5 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | D503 S504 | S501-D503 PolarHBondContact O-N 3.36Å; S501-S504 WeakPolarHBondContact O-CB 3.36Å; S501-S504 PolarHBondContact O-N 2.99Å; S501-S504 PolarHBondContact OG-OG 3.49Å | ||
| 502 | F | 88 | Confident | 92.2 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -38.1 | 175.8 | -171.7 | -102.7 | 0 | 0 | 0 | 112 | S504 I505 A506 Y531 F532 V539 N544 V548 | F502-S504 PolarHBondContact O-N 3.21Å; F502-S504 VanDerWaalsContact O-N 3.12Å; F502-I505 HydrophobicContact CD2-CD1 4.32Å; F502-I505 HydrophobicContact CD2-CG1 4.26Å; F502-I505 CarbonylContact O-C 3.55Å; F502-I505 WeakPolarHBondContact O-CG1 3.33Å; F502-I505 PolarHBondContact O-N 2.71Å; F502-A506 HydrophobicContact CD1-CB 4.11Å; F502-A506 HydrophobicContact CE1-CB 3.8Å; F502-A506 HydrophobicContact CZ-CB 4.36Å; F502-A506 WeakPolarHBondContact O-CB 3.37Å; F502-A506 PolarHBondContact O-N 2.74Å; F502-Y531 HydrophobicContact CB-CE1 3.82Å; F502-Y531 AromaticContact CD2-CD1 3.65Å; F502-Y531 HydrophobicContact CD2-CD1 3.65Å; F502-Y531 AromaticContact CD2-CE1 3.28Å; F502-Y531 HydrophobicContact CD2-CE1 3.28Å; F502-Y531 HydrophobicContact CD2-CG 4.49Å; F502-Y531 AromaticContact CD2-CZ 3.85Å; F502-Y531 HydrophobicContact CE2-CD1 4.05Å; F502-Y531 HydrophobicContact CE2-CE1 4.13Å; F502-Y531 HydrophobicContact CG-CD1 4.49Å; F502-Y531 AromaticContact CG-CE1 3.82Å; F502-Y531 HydrophobicContact CG-CE1 3.82Å; F502-F532 HydrophobicContact CD1-CZ 4.01Å; F502-F532 HydrophobicContact CD2-CE2 4.42Å; F502-F532 HydrophobicContact CD2-CZ 4.48Å; F502-F532 AromaticContact CE1-CE2 3.99Å; F502-F532 HydrophobicContact CE1-CE2 3.99Å; F502-F532 AromaticContact CE1-CZ 3.61Å; F502-F532 HydrophobicContact CE1-CZ 3.61Å; F502-F532 AromaticContact CE2-CE2 3.76Å; F502-F532 HydrophobicContact CE2-CE2 3.76Å; F502-F532 HydrophobicContact CE2-CZ 4.11Å; F502-F532 HydrophobicContact CG-CZ 4.43Å; F502-F532 AromaticContact CZ-CE2 3.52Å; F502-F532 HydrophobicContact CZ-CE2 3.52Å; F502-F532 AromaticContact CZ-CZ 3.67Å; F502-F532 HydrophobicContact CZ-CZ 3.67Å; F502-V539 HydrophobicContact CB-CG1 3.99Å; F502-N544 HydrophobicContact CD1-CB 4.08Å; F502-N544 HydrophobicContact CE1-CB 4.34Å; F502-V548 HydrophobicContact CE1-CG2 3.63Å; F502-V548 HydrophobicContact CZ-CG2 3.54Å |
| 503 | D | 87.3 | Confident | 92.1 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.5 | -34.8 | 175.2 | -70.9 | -85.8 | 0 | 0 | 0 | 112.8 | S501 I505 K543 N544 | S501-D503 PolarHBondContact O-N 3.36Å; D503-I505 VanDerWaalsContact C-N 3.29Å; D503-I505 PolarHBondContact O-N 3.3Å; D503-K543 IonicContact OD1-NZ 3.41Å; D503-K543 PolarHBondContact OD1-NZ 3.37Å; D503-N544 PolarHBondContact OD1-OD1 3.25Å |
| 504 | S | 87.1 | Confident | 91.7 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 46% | 0.462 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -74.7 | -18 | -178.4 | -54.7 | 0 | 0 | 0 | 0 | 113.6 | S501 F502 | S501-S504 WeakPolarHBondContact O-CB 3.36Å; S501-S504 PolarHBondContact O-N 2.99Å; S501-S504 PolarHBondContact OG-OG 3.49Å; F502-S504 PolarHBondContact O-N 3.21Å; F502-S504 VanDerWaalsContact O-N 3.12Å |
| 505 | I | 92.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -120.7 | -5 | -176.2 | 58 | 170.5 | 0 | 0 | 0 | 113.3 | Y471 V500 F502 D503 E507 E508 T509 F527 | Y471-I505 HydrophobicContact CD1-CB 3.97Å; Y471-I505 HydrophobicContact CD1-CG2 3.8Å; Y471-I505 HydrophobicContact CD2-CG2 4.4Å; Y471-I505 HydrophobicContact CE1-CB 3.61Å; Y471-I505 HydrophobicContact CE1-CD1 4.42Å; Y471-I505 HydrophobicContact CE1-CG2 3.96Å; Y471-I505 HydrophobicContact CE2-CD1 4.03Å; Y471-I505 HydrophobicContact CG-CG2 4.03Å; V500-I505 HydrophobicContact CG2-CD1 4.39Å; V500-I505 HydrophobicContact CG2-CG2 3.66Å; F502-I505 HydrophobicContact CD2-CD1 4.32Å; F502-I505 HydrophobicContact CD2-CG1 4.26Å; F502-I505 CarbonylContact O-C 3.55Å; F502-I505 WeakPolarHBondContact O-CG1 3.33Å; F502-I505 PolarHBondContact O-N 2.71Å; D503-I505 VanDerWaalsContact C-N 3.29Å; D503-I505 PolarHBondContact O-N 3.3Å; I505-E507 PolarHBondContact O-N 2.92Å; I505-E508 PolarHBondContact O-N 3.32Å; I505-T509 WeakPolarHBondContact O-CB 3.37Å; I505-T509 PolarHBondContact O-N 3.05Å; I505-T509 PolarHBondContact O-OG1 3.42Å; I505-F527 HydrophobicContact CD1-CZ 4.35Å |
| 506 | A | 91.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F502 T509 V510 I547 | F502-A506 HydrophobicContact CD1-CB 4.11Å; F502-A506 HydrophobicContact CE1-CB 3.8Å; F502-A506 HydrophobicContact CZ-CB 4.36Å; F502-A506 WeakPolarHBondContact O-CB 3.37Å; F502-A506 PolarHBondContact O-N 2.74Å; A506-T509 WeakPolarHBondContact O-CB 3.34Å; A506-T509 PolarHBondContact O-N 3.09Å; A506-V510 WeakPolarHBondContact O-CG2 3.45Å; A506-V510 PolarHBondContact O-N 2.94Å; A506-I547 HydrophobicContact CB-CG2 4.19Å |
| 507 | E | 90.7 | Very high | 91.1 | Very high | 165 Ų | 165 | 57.1 Ų | 57.1 | 77% | 0.771 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | -179.3 | -68.2 | -175.9 | 178.8 | 0 | 0 | 112.5 | I505 T509 V510 K511 | I505-E507 PolarHBondContact O-N 2.92Å; E507-T509 VanDerWaalsContact C-N 3.29Å; E507-T509 PolarHBondContact O-N 3.35Å; E507-V510 PolarHBondContact O-N 2.73Å; E507-K511 VanDerWaalsContact O-CB 3.31Å; E507-K511 WeakPolarHBondContact O-CB 3.41Å; E507-K511 PolarHBondContact O-N 2.94Å |
| 508 | E | 91.9 | Very high | 91 | Very high | 66 Ų | 66 | 59.6 Ų | 59.6 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69 | -29.1 | 178.2 | -73.1 | -64.3 | 163.5 | 0 | 0 | 112.1 | P472 I505 K511 A512 | P472-E508 HydrophobicContact CG-CB 4.38Å; P472-E508 HydrophobicContact CG-CG 3.98Å; I505-E508 PolarHBondContact O-N 3.32Å; E508-K511 IonicContact OE1-NZ 2.85Å; E508-K511 PolarHBondContact OE1-NZ 3.43Å; E508-K511 WeakPolarHBondContact OE2-CD 3.47Å; E508-K511 IonicContact OE2-NZ 2.95Å; E508-K511 PolarHBondContact OE2-NZ 3.42Å; E508-A512 WeakPolarHBondContact O-CB 3.23Å; E508-A512 PolarHBondContact O-N 3.14Å |
| 509 | T | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -46.8 | 172.2 | -56 | 0 | 0 | 0 | 0 | 111.1 | Y471 I505 A506 E507 K511 A512 L513 T524 F527 I528 | Y471-T509 PolarHBondContact OH-OG1 3.32Å; I505-T509 WeakPolarHBondContact O-CB 3.37Å; I505-T509 PolarHBondContact O-N 3.05Å; I505-T509 PolarHBondContact O-OG1 3.42Å; A506-T509 WeakPolarHBondContact O-CB 3.34Å; A506-T509 PolarHBondContact O-N 3.09Å; E507-T509 VanDerWaalsContact C-N 3.29Å; E507-T509 PolarHBondContact O-N 3.35Å; T509-K511 VanDerWaalsContact C-N 3.32Å; T509-K511 PolarHBondContact O-N 3.27Å; T509-A512 PolarHBondContact O-N 2.93Å; T509-L513 PolarHBondContact O-N 3.46Å; T509-T524 HydrophobicContact CG2-CG2 3.96Å; T509-T524 WeakPolarHBondContact O-CG2 3.33Å; T509-F527 HydrophobicContact CG2-CD1 4.19Å; T509-F527 HydrophobicContact CG2-CE1 4.13Å; T509-I528 HydrophobicContact CG2-CD1 3.92Å; T509-I528 HydrophobicContact CG2-CG1 3.72Å |
| 510 | V | 93.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -38.7 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | A506 E507 L513 S514 I547 P551 | A506-V510 WeakPolarHBondContact O-CG2 3.45Å; A506-V510 PolarHBondContact O-N 2.94Å; E507-V510 PolarHBondContact O-N 2.73Å; V510-L513 WeakPolarHBondContact O-CB 3.19Å; V510-L513 PolarHBondContact O-N 3.21Å; V510-S514 PolarHBondContact O-N 2.73Å; V510-S514 PolarHBondContact O-OG 2.69Å; V510-I547 HydrophobicContact CG2-CG2 3.73Å; V510-I547 WeakPolarHBondContact CG2-O 3.49Å; V510-P551 HydrophobicContact CG1-CB 4.1Å; V510-P551 HydrophobicContact CG1-CG 3.71Å; V510-P551 HydrophobicContact CG2-CG 4.25Å |
| 511 | K | 92 | Very high | 91.4 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 53% | 0.53 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 175.2 | -176.3 | 172.1 | 158.8 | -156.6 | 0 | 112.6 | E507 E508 T509 L513 S514 N515 | E507-K511 VanDerWaalsContact O-CB 3.31Å; E507-K511 WeakPolarHBondContact O-CB 3.41Å; E507-K511 PolarHBondContact O-N 2.94Å; E508-K511 IonicContact OE1-NZ 2.85Å; E508-K511 PolarHBondContact OE1-NZ 3.43Å; E508-K511 WeakPolarHBondContact OE2-CD 3.47Å; E508-K511 IonicContact OE2-NZ 2.95Å; E508-K511 PolarHBondContact OE2-NZ 3.42Å; T509-K511 VanDerWaalsContact C-N 3.32Å; T509-K511 PolarHBondContact O-N 3.27Å; K511-L513 VanDerWaalsContact C-N 3.34Å; K511-S514 PolarHBondContact O-N 2.69Å; K511-S514 PolarHBondContact O-OG 2.98Å; K511-S514 VanDerWaalsContact O-OG 3.06Å; K511-N515 PolarHBondContact O-N 2.74Å |
| 512 | A | 94.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.1 | -33.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L475 E508 T509 S514 N515 V520 T524 | L475-A512 HydrophobicContact CB-CB 4.41Å; L475-A512 HydrophobicContact CD1-CB 3.99Å; E508-A512 WeakPolarHBondContact O-CB 3.23Å; E508-A512 PolarHBondContact O-N 3.14Å; T509-A512 PolarHBondContact O-N 2.93Å; A512-S514 PolarHBondContact O-N 3.31Å; A512-N515 WeakPolarHBondContact O-CB 3.38Å; A512-N515 PolarHBondContact O-N 2.94Å; A512-N515 VanDerWaalsContact O-N 3.14Å; A512-V520 HydrophobicContact CB-CG1 4.24Å; A512-T524 HydrophobicContact CB-CG2 3.91Å |
| 513 | L | 93.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -26.2 | 175.3 | -161.4 | 71.6 | 0 | 0 | 0 | 112.9 | T509 V510 K511 K521 T524 A525 I528 P551 L552 T555 | T509-L513 PolarHBondContact O-N 3.46Å; V510-L513 WeakPolarHBondContact O-CB 3.19Å; V510-L513 PolarHBondContact O-N 3.21Å; K511-L513 VanDerWaalsContact C-N 3.34Å; L513-K521 WeakPolarHBondContact O-CD 3.17Å; L513-K521 VanDerWaalsContact O-CG 3.32Å; L513-K521 WeakPolarHBondContact O-CG 3.34Å; L513-T524 HydrophobicContact CB-CG2 4.26Å; L513-T524 HydrophobicContact CD1-CG2 4.26Å; L513-A525 HydrophobicContact CD1-CB 3.96Å; L513-I528 HydrophobicContact CD1-CD1 4.34Å; L513-P551 HydrophobicContact CD2-CB 3.74Å; L513-L552 HydrophobicContact CD1-CD2 4.06Å; L513-L552 HydrophobicContact CD2-CD2 3.88Å; L513-L552 HydrophobicContact CD2-CG 4.04Å; L513-T555 HydrophobicContact CD1-CG2 4.37Å; L513-T555 HydrophobicContact CG-CG2 4.41Å |
| 514 | S | 89.2 | Confident | 92.6 | Very high | 84 Ų | 84 | 48.7 Ų | 48.7 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 12.1 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | V510 K511 A512 | V510-S514 PolarHBondContact O-N 2.73Å; V510-S514 PolarHBondContact O-OG 2.69Å; K511-S514 PolarHBondContact O-N 2.69Å; K511-S514 PolarHBondContact O-OG 2.98Å; K511-S514 VanDerWaalsContact O-OG 3.06Å; A512-S514 PolarHBondContact O-N 3.31Å |
| 515 | N | 92.5 | Very high | 93 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | trans | -65.2 | 147.6 | -179.1 | -167.3 | -72.9 | 0 | 0 | 0 | 112.6 | K511 A512 S517 V520 K521 | K511-N515 PolarHBondContact O-N 2.74Å; A512-N515 WeakPolarHBondContact O-CB 3.38Å; A512-N515 PolarHBondContact O-N 2.94Å; A512-N515 VanDerWaalsContact O-N 3.14Å; N515-S517 PolarHBondContact O-N 3.45Å; N515-S517 VanDerWaalsContact O-N 3.14Å; N515-S517 WeakPolarHBondContact OD1-CB 3.48Å; N515-S517 PolarHBondContact OD1-N 3.33Å; N515-V520 HydrophobicContact CB-CB 4.07Å; N515-V520 HydrophobicContact CB-CG1 3.82Å; N515-K521 WeakPolarHBondContact O-CE 3.45Å | ||
| 516 | K | 89.5 | Confident | 93.2 | Very high | 209 Ų | 209 | 47.9 Ų | 47.9 | 91% | 0.909 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -62.8 | -20.9 | 178.3 | -62.9 | -178.2 | -179.4 | -179.1 | 0 | 114.2 | ||
| 517 | S | 91.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | trans | -89.4 | 118.2 | -178.4 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | N515 G519 V520 K521 | N515-S517 PolarHBondContact O-N 3.45Å; N515-S517 VanDerWaalsContact O-N 3.14Å; N515-S517 WeakPolarHBondContact OD1-CB 3.48Å; N515-S517 PolarHBondContact OD1-N 3.33Å; S517-G519 VanDerWaalsContact C-N 3.32Å; S517-G519 PolarHBondContact O-N 3.43Å; S517-V520 PolarHBondContact O-N 3.21Å; S517-V520 VanDerWaalsContact O-N 3.07Å; S517-K521 PolarHBondContact O-N 2.88Å | ||
| 518 | P | 90.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 40 Ų | 40 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.5 | -44.9 | 177.8 | -27.4 | 35 | 0 | 0 | 0 | 113.3 | V520 K521 V522 V563 | P518-V520 PolarHBondContact O-N 3.4Å; P518-K521 WeakPolarHBondContact O-CA 3.31Å; P518-K521 WeakPolarHBondContact O-CB 3.4Å; P518-K521 PolarHBondContact O-N 3.25Å; P518-V522 WeakPolarHBondContact O-CG2 3.37Å; P518-V522 PolarHBondContact O-N 2.68Å; P518-V563 HydrophobicContact CB-CG2 3.84Å |
| 519 | G | 90.1 | Very high | 93.6 | Very high | 27 Ų | 27 | 37 Ų | 37 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.3 | -32.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S517 Q523 | S517-G519 VanDerWaalsContact C-N 3.32Å; S517-G519 PolarHBondContact O-N 3.43Å; G519-Q523 WeakPolarHBondContact O-CG 3.21Å; G519-Q523 PolarHBondContact O-N 3.31Å; G519-Q523 VanDerWaalsContact O-N 3.07Å |
| 520 | V | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.6 | -43.3 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | K479 A512 N515 S517 P518 T524 | K479-V520 HydrophobicContact CB-CG2 3.8Å; A512-V520 HydrophobicContact CB-CG1 4.24Å; N515-V520 HydrophobicContact CB-CB 4.07Å; N515-V520 HydrophobicContact CB-CG1 3.82Å; S517-V520 PolarHBondContact O-N 3.21Å; S517-V520 VanDerWaalsContact O-N 3.07Å; P518-V520 PolarHBondContact O-N 3.4Å; V520-T524 WeakPolarHBondContact O-CB 3.19Å; V520-T524 PolarHBondContact O-N 3.43Å; V520-T524 PolarHBondContact O-OG1 2.82Å |
| 521 | K | 95.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 176.1 | -54.6 | -169.3 | -177.7 | -174.6 | 0 | 111.4 | L513 N515 S517 P518 T524 A525 E558 V563 | L513-K521 WeakPolarHBondContact O-CD 3.17Å; L513-K521 VanDerWaalsContact O-CG 3.32Å; L513-K521 WeakPolarHBondContact O-CG 3.34Å; N515-K521 WeakPolarHBondContact O-CE 3.45Å; S517-K521 PolarHBondContact O-N 2.88Å; P518-K521 WeakPolarHBondContact O-CA 3.31Å; P518-K521 WeakPolarHBondContact O-CB 3.4Å; P518-K521 PolarHBondContact O-N 3.25Å; K521-T524 PolarHBondContact O-N 2.97Å; K521-A525 WeakPolarHBondContact O-CB 3.22Å; K521-A525 PolarHBondContact O-N 3.01Å; K521-E558 IonicContact NZ-OE1 2.84Å; K521-E558 PolarHBondContact NZ-OE1 2.83Å; K521-V563 HydrophobicContact CB-CG1 4.02Å; K521-V563 HydrophobicContact CB-CG2 4.21Å; K521-V563 HydrophobicContact CD-CG1 3.94Å; K521-V563 HydrophobicContact CD-CG2 4.46Å |
| 522 | V | 95.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.1 | -55.5 | 179 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | P518 T524 A525 L526 E562 V563 S566 | P518-V522 WeakPolarHBondContact O-CG2 3.37Å; P518-V522 PolarHBondContact O-N 2.68Å; V522-T524 VanDerWaalsContact C-N 3.32Å; V522-T524 PolarHBondContact O-N 3.45Å; V522-A525 PolarHBondContact O-N 3.41Å; V522-L526 HydrophobicContact CG1-CD1 4.06Å; V522-L526 WeakPolarHBondContact O-CG 3.45Å; V522-L526 PolarHBondContact O-N 3.38Å; V522-E562 HydrophobicContact CG2-CB 3.86Å; V522-V563 HydrophobicContact CG2-CB 4.44Å; V522-V563 HydrophobicContact CG2-CG2 3.8Å; V522-S566 WeakPolarHBondContact CA-OG 3.42Å |
| 523 | Q | 95.7 | Very high | 92.8 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.6 | -31.7 | -177 | -65.3 | -59.6 | -31.7 | 0 | 0 | 112.7 | L478 V486 G519 F527 | L478-Q523 HydrophobicContact CB-CB 4.06Å; L478-Q523 HydrophobicContact CB-CG 4.39Å; L478-Q523 HydrophobicContact CD1-CB 3.79Å; L478-Q523 HydrophobicContact CD2-CB 4.09Å; L478-Q523 HydrophobicContact CD2-CG 4.27Å; L478-Q523 HydrophobicContact CG-CB 4.21Å; V486-Q523 HydrophobicContact CG1-CG 4.04Å; G519-Q523 WeakPolarHBondContact O-CG 3.21Å; G519-Q523 PolarHBondContact O-N 3.31Å; G519-Q523 VanDerWaalsContact O-N 3.07Å; Q523-F527 WeakPolarHBondContact O-CB 3.41Å; Q523-F527 PolarHBondContact O-N 3.42Å |
| 524 | T | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.7 | -42.9 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | T509 A512 L513 V520 K521 V522 F527 I528 | T509-T524 HydrophobicContact CG2-CG2 3.96Å; T509-T524 WeakPolarHBondContact O-CG2 3.33Å; A512-T524 HydrophobicContact CB-CG2 3.91Å; L513-T524 HydrophobicContact CB-CG2 4.26Å; L513-T524 HydrophobicContact CD1-CG2 4.26Å; V520-T524 WeakPolarHBondContact O-CB 3.19Å; V520-T524 PolarHBondContact O-N 3.43Å; V520-T524 PolarHBondContact O-OG1 2.82Å; K521-T524 PolarHBondContact O-N 2.97Å; V522-T524 VanDerWaalsContact C-N 3.32Å; V522-T524 PolarHBondContact O-N 3.45Å; T524-F527 WeakPolarHBondContact O-CB 3.27Å; T524-F527 PolarHBondContact O-N 3.02Å; T524-I528 HydrophobicContact CG2-CD1 4.28Å; T524-I528 VanDerWaalsContact O-CG1 3.31Å; T524-I528 WeakPolarHBondContact O-CG1 3.09Å; T524-I528 PolarHBondContact O-N 3.26Å |
| 525 | A | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L513 K521 V522 F527 I528 G529 L552 A570 | L513-A525 HydrophobicContact CD1-CB 3.96Å; K521-A525 WeakPolarHBondContact O-CB 3.22Å; K521-A525 PolarHBondContact O-N 3.01Å; V522-A525 PolarHBondContact O-N 3.41Å; A525-F527 VanDerWaalsContact C-N 3.31Å; A525-F527 PolarHBondContact O-N 3.39Å; A525-I528 WeakPolarHBondContact O-CB 3.5Å; A525-I528 PolarHBondContact O-N 3.46Å; A525-G529 PolarHBondContact O-N 2.94Å; A525-L552 HydrophobicContact CB-CD2 4.12Å; A525-A570 HydrophobicContact CB-CB 4.38Å; A525-A570 WeakPolarHBondContact O-CB 3.38Å |
| 526 | L | 95.8 | Very high | 90.5 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 27% | 0.272 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 176.2 | -66.4 | 174.8 | 0 | 0 | 0 | 112.4 | V522 G529 R530 T569 | V522-L526 HydrophobicContact CG1-CD1 4.06Å; V522-L526 WeakPolarHBondContact O-CG 3.45Å; V522-L526 PolarHBondContact O-N 3.38Å; L526-G529 PolarHBondContact O-N 2.82Å; L526-R530 WeakPolarHBondContact O-CG 3.45Å; L526-R530 PolarHBondContact O-N 2.91Å; L526-R530 PolarHBondContact O-NH1 3.1Å; L526-T569 HydrophobicContact CD2-CG2 4.3Å |
| 527 | F | 96 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 172.7 | 163.2 | -102.5 | 0 | 0 | 0 | 111.8 | Y471 V493 D494 I505 T509 Q523 T524 A525 G529 R530 Y531 | Y471-F527 HydrophobicContact CE2-CZ 4.36Å; Y471-F527 WeakPolarHBondContact OH-CE1 3.39Å; Y471-F527 WeakPolarHBondContact OH-CZ 3.43Å; V493-F527 HydrophobicContact CG1-CD2 3.54Å; V493-F527 HydrophobicContact CG1-CE2 3.72Å; V493-F527 HydrophobicContact CG1-CG 3.96Å; V493-F527 HydrophobicContact CG1-CZ 4.3Å; D494-F527 VanDerWaalsContact OD1-CD2 3.32Å; D494-F527 WeakPolarHBondContact OD1-CD2 3.45Å; I505-F527 HydrophobicContact CD1-CZ 4.35Å; T509-F527 HydrophobicContact CG2-CD1 4.19Å; T509-F527 HydrophobicContact CG2-CE1 4.13Å; Q523-F527 WeakPolarHBondContact O-CB 3.41Å; Q523-F527 PolarHBondContact O-N 3.42Å; T524-F527 WeakPolarHBondContact O-CB 3.27Å; T524-F527 PolarHBondContact O-N 3.02Å; A525-F527 VanDerWaalsContact C-N 3.31Å; A525-F527 PolarHBondContact O-N 3.39Å; F527-G529 VanDerWaalsContact C-N 3.31Å; F527-G529 PolarHBondContact O-N 3.09Å; F527-R530 PolarHBondContact O-N 3.28Å; F527-Y531 AromaticContact CE2-CD2 3.95Å; F527-Y531 HydrophobicContact CE2-CD2 3.95Å; F527-Y531 HydrophobicContact CE2-CG 4.36Å; F527-Y531 AromaticContact CZ-CD2 3.76Å; F527-Y531 HydrophobicContact CZ-CD2 3.76Å; F527-Y531 HydrophobicContact CZ-CG 4.04Å; F527-Y531 VanDerWaalsContact O-CB 3.28Å; F527-Y531 WeakPolarHBondContact O-CB 3.35Å; F527-Y531 PolarHBondContact O-N 3.46Å |
| 528 | I | 94.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -48 | 177.9 | -69.1 | 160.4 | 0 | 0 | 0 | 110.1 | T509 L513 T524 A525 R530 Y531 F532 V548 L552 I574 | T509-I528 HydrophobicContact CG2-CD1 3.92Å; T509-I528 HydrophobicContact CG2-CG1 3.72Å; L513-I528 HydrophobicContact CD1-CD1 4.34Å; T524-I528 HydrophobicContact CG2-CD1 4.28Å; T524-I528 VanDerWaalsContact O-CG1 3.31Å; T524-I528 WeakPolarHBondContact O-CG1 3.09Å; T524-I528 PolarHBondContact O-N 3.26Å; A525-I528 WeakPolarHBondContact O-CB 3.5Å; A525-I528 PolarHBondContact O-N 3.46Å; I528-R530 PolarHBondContact O-N 3.28Å; I528-Y531 PolarHBondContact O-N 3.42Å; I528-F532 HydrophobicContact CG2-CD2 3.78Å; I528-F532 HydrophobicContact CG2-CE2 4.05Å; I528-F532 WeakPolarHBondContact O-CD2 3.48Å; I528-F532 PolarHBondContact O-N 3.48Å; I528-V548 HydrophobicContact CB-CG1 4.48Å; I528-V548 HydrophobicContact CD1-CG1 3.88Å; I528-V548 HydrophobicContact CG1-CG1 4.2Å; I528-V548 HydrophobicContact CG2-CG1 3.47Å; I528-V548 VanDerWaalsContact CG2-CG1 3.47Å; I528-L552 HydrophobicContact CD1-CD2 4.34Å; I528-L552 HydrophobicContact CG2-CD1 3.99Å; I528-I574 HydrophobicContact CG2-CD1 3.95Å |
| 529 | G | 92.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.5 | -51.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A525 L526 F527 Y531 S533 | A525-G529 PolarHBondContact O-N 2.94Å; L526-G529 PolarHBondContact O-N 2.82Å; F527-G529 VanDerWaalsContact C-N 3.31Å; F527-G529 PolarHBondContact O-N 3.09Å; G529-Y531 PolarHBondContact O-N 2.81Å; G529-S533 WeakPolarHBondContact O-CB 3.45Å; G529-S533 PolarHBondContact O-N 3.32Å; G529-S533 PolarHBondContact O-OG 2.89Å |
| 530 | R | 93.2 | Very high | 87.3 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 30% | 0.298 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.4 | -68.9 | -168.2 | -53.7 | -79.2 | -6 | 112.5 | V490 D494 L526 F527 I528 S533 T534 | V490-R530 VanDerWaalsContact CG1-NH2 3.34Å; D494-R530 IonicContact OD1-CZ 3.32Å; D494-R530 IonicContact OD1-NE 3Å; D494-R530 IonicContact OD1-NH2 3.54Å; D494-R530 PolarHBondContact OD1-NH2 3.16Å; D494-R530 VanDerWaalsContact OD1-NH2 3.15Å; D494-R530 IonicContact OD2-CZ 2.61Å; D494-R530 IonicContact OD2-NE 3.07Å; D494-R530 PolarHBondContact OD2-NE 3.4Å; D494-R530 VanDerWaalsContact OD2-NE 3.16Å; D494-R530 IonicContact OD2-NH2 3.99Å; L526-R530 WeakPolarHBondContact O-CG 3.45Å; L526-R530 PolarHBondContact O-N 2.91Å; L526-R530 PolarHBondContact O-NH1 3.1Å; F527-R530 PolarHBondContact O-N 3.28Å; I528-R530 PolarHBondContact O-N 3.28Å; R530-S533 WeakPolarHBondContact CA-OG 3.26Å; R530-S533 PolarHBondContact O-N 3.43Å; R530-S533 PolarHBondContact O-OG 3.4Å; R530-T534 PolarHBondContact O-N 2.7Å; R530-T534 PolarHBondContact O-OG1 3.22Å; R530-T534 VanDerWaalsContact O-OG1 3.05Å |
| 531 | Y | 91.1 | Very high | 86.6 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -49.6 | -177.8 | -172.3 | -89.1 | 0 | 0 | 0 | 111.2 | F502 F527 I528 G529 S533 T534 C535 V539 | F502-Y531 HydrophobicContact CB-CE1 3.82Å; F502-Y531 AromaticContact CD2-CD1 3.65Å; F502-Y531 HydrophobicContact CD2-CD1 3.65Å; F502-Y531 AromaticContact CD2-CE1 3.28Å; F502-Y531 HydrophobicContact CD2-CE1 3.28Å; F502-Y531 HydrophobicContact CD2-CG 4.49Å; F502-Y531 AromaticContact CD2-CZ 3.85Å; F502-Y531 HydrophobicContact CE2-CD1 4.05Å; F502-Y531 HydrophobicContact CE2-CE1 4.13Å; F502-Y531 HydrophobicContact CG-CD1 4.49Å; F502-Y531 AromaticContact CG-CE1 3.82Å; F502-Y531 HydrophobicContact CG-CE1 3.82Å; F527-Y531 AromaticContact CE2-CD2 3.95Å; F527-Y531 HydrophobicContact CE2-CD2 3.95Å; F527-Y531 HydrophobicContact CE2-CG 4.36Å; F527-Y531 AromaticContact CZ-CD2 3.76Å; F527-Y531 HydrophobicContact CZ-CD2 3.76Å; F527-Y531 HydrophobicContact CZ-CG 4.04Å; F527-Y531 VanDerWaalsContact O-CB 3.28Å; F527-Y531 WeakPolarHBondContact O-CB 3.35Å; F527-Y531 PolarHBondContact O-N 3.46Å; I528-Y531 PolarHBondContact O-N 3.42Å; G529-Y531 PolarHBondContact O-N 2.81Å; Y531-S533 PolarHBondContact O-N 3.15Å; Y531-T534 PolarHBondContact O-N 3.18Å; Y531-T534 PolarHBondContact O-OG1 3.29Å; Y531-C535 WeakPolarHBondContact CE1-SG 3.41Å; Y531-C535 PolarHBondContact O-N 3.46Å; Y531-C535 PolarHBondContact O-SG 2.88Å; Y531-V539 HydrophobicContact CE1-CG1 4.02Å |
| 532 | F | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.8 | -26.5 | -179.1 | -79.3 | -83.9 | 0 | 0 | 0 | 113.6 | F502 I528 T534 C535 V539 L540 V548 I574 | F502-F532 HydrophobicContact CD1-CZ 4.01Å; F502-F532 HydrophobicContact CD2-CE2 4.42Å; F502-F532 HydrophobicContact CD2-CZ 4.48Å; F502-F532 AromaticContact CE1-CE2 3.99Å; F502-F532 HydrophobicContact CE1-CE2 3.99Å; F502-F532 AromaticContact CE1-CZ 3.61Å; F502-F532 HydrophobicContact CE1-CZ 3.61Å; F502-F532 AromaticContact CE2-CE2 3.76Å; F502-F532 HydrophobicContact CE2-CE2 3.76Å; F502-F532 HydrophobicContact CE2-CZ 4.11Å; F502-F532 HydrophobicContact CG-CZ 4.43Å; F502-F532 AromaticContact CZ-CE2 3.52Å; F502-F532 HydrophobicContact CZ-CE2 3.52Å; F502-F532 AromaticContact CZ-CZ 3.67Å; F502-F532 HydrophobicContact CZ-CZ 3.67Å; I528-F532 HydrophobicContact CG2-CD2 3.78Å; I528-F532 HydrophobicContact CG2-CE2 4.05Å; I528-F532 WeakPolarHBondContact O-CD2 3.48Å; I528-F532 PolarHBondContact O-N 3.48Å; F532-T534 PolarHBondContact O-N 3.39Å; F532-C535 PolarHBondContact O-N 2.97Å; F532-V539 HydrophobicContact CE1-CG1 4.48Å; F532-L540 HydrophobicContact CB-CD2 4.29Å; F532-L540 HydrophobicContact CD1-CD2 3.41Å; F532-L540 VanDerWaalsContact CD1-CD2 3.41Å; F532-L540 HydrophobicContact CD1-CG 4.05Å; F532-L540 HydrophobicContact CE1-CD2 4.17Å; F532-L540 HydrophobicContact CG-CD2 4.29Å; F532-V548 HydrophobicContact CE2-CG1 4.43Å; F532-V548 HydrophobicContact CE2-CG2 4.25Å; F532-V548 HydrophobicContact CZ-CG2 4.29Å; F532-I574 HydrophobicContact CB-CG1 4.17Å; F532-I574 HydrophobicContact CG-CG1 4.38Å |
| 533 | S | 84.2 | Confident | 85.4 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.5 | -22.2 | 173.9 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | G529 R530 Y531 | G529-S533 WeakPolarHBondContact O-CB 3.45Å; G529-S533 PolarHBondContact O-N 3.32Å; G529-S533 PolarHBondContact O-OG 2.89Å; R530-S533 WeakPolarHBondContact CA-OG 3.26Å; R530-S533 PolarHBondContact O-N 3.43Å; R530-S533 PolarHBondContact O-OG 3.4Å; Y531-S533 PolarHBondContact O-N 3.15Å |
| 534 | T | 78.6 | Confident | 85 | Confident | 114 Ų | 114 | 49.4 Ų | 49.4 | 70% | 0.699 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 1.5 | -177.6 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | R530 Y531 F532 | R530-T534 PolarHBondContact O-N 2.7Å; R530-T534 PolarHBondContact O-OG1 3.22Å; R530-T534 VanDerWaalsContact O-OG1 3.05Å; Y531-T534 PolarHBondContact O-N 3.18Å; Y531-T534 PolarHBondContact O-OG1 3.29Å; F532-T534 PolarHBondContact O-N 3.39Å |
| 535 | C | 76 | Confident | 84.6 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -91.7 | 146.2 | -174.2 | -83.8 | 0 | 0 | 0 | 0 | 112.9 | Y531 F532 V539 | Y531-C535 WeakPolarHBondContact CE1-SG 3.41Å; Y531-C535 PolarHBondContact O-N 3.46Å; Y531-C535 PolarHBondContact O-SG 2.88Å; F532-C535 PolarHBondContact O-N 2.97Å; C535-V539 HydrophobicContact CB-CB 3.9Å; C535-V539 HydrophobicContact CB-CG1 4.14Å; C535-V539 HydrophobicContact CB-CG2 4.33Å | ||
| 536 | S | 72.3 | Confident | 84.2 | Confident | 76 Ų | 76 | 56.8 Ų | 56.8 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | trans | -66.2 | 159.9 | 169.6 | 73 | 0 | 0 | 0 | 0 | 112.3 | A538 V539 L540 | S536-A538 PolarHBondContact O-N 2.9Å; S536-V539 PolarHBondContact O-N 3.4Å; S536-L540 PolarHBondContact O-N 2.89Å | ||
| 537 | S | 70.2 | Confident | 83.9 | Confident | 105 Ų | 105 | 57 Ų | 57 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -30 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 113.5 | V539 L540 | S537-V539 VanDerWaalsContact C-N 3.35Å; S537-V539 PolarHBondContact O-N 3.4Å; S537-L540 CarbonylContact O-C 3.59Å; S537-L540 PolarHBondContact O-N 3.48Å |
| 538 | A | 69 | Low | 83.7 | Confident | 76 Ų | 76 | 57 Ų | 57 | 63% | 0.628 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -34.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S536 N541 | S536-A538 PolarHBondContact O-N 2.9Å; A538-N541 PolarHBondContact O-ND2 3.26Å; A538-N541 VanDerWaalsContact O-ND2 3.12Å |
| 539 | V | 75.9 | Confident | 83.6 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 21% | 0.212 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -32.3 | 177.5 | -179 | 0 | 0 | 0 | 0 | 110.8 | F502 Y531 F532 C535 S536 S537 N541 N544 | F502-V539 HydrophobicContact CB-CG1 3.99Å; Y531-V539 HydrophobicContact CE1-CG1 4.02Å; F532-V539 HydrophobicContact CE1-CG1 4.48Å; C535-V539 HydrophobicContact CB-CB 3.9Å; C535-V539 HydrophobicContact CB-CG1 4.14Å; C535-V539 HydrophobicContact CB-CG2 4.33Å; S536-V539 PolarHBondContact O-N 3.4Å; S537-V539 VanDerWaalsContact C-N 3.35Å; S537-V539 PolarHBondContact O-N 3.4Å; V539-N541 PolarHBondContact O-N 3.39Å; V539-N544 WeakPolarHBondContact O-CB 3.12Å; V539-N544 PolarHBondContact O-ND2 3.23Å |
| 540 | L | 79.5 | Confident | 83.5 | Confident | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -75.3 | 28.9 | 176 | -72.8 | 155.4 | 0 | 0 | 0 | 113.3 | F532 S536 S537 L545 A577 A578 | F532-L540 HydrophobicContact CB-CD2 4.29Å; F532-L540 HydrophobicContact CD1-CD2 3.41Å; F532-L540 VanDerWaalsContact CD1-CD2 3.41Å; F532-L540 HydrophobicContact CD1-CG 4.05Å; F532-L540 HydrophobicContact CE1-CD2 4.17Å; F532-L540 HydrophobicContact CG-CD2 4.29Å; S536-L540 PolarHBondContact O-N 2.89Å; S537-L540 CarbonylContact O-C 3.59Å; S537-L540 PolarHBondContact O-N 3.48Å; L540-L545 HydrophobicContact CD2-CD2 4.12Å; L540-L545 VanDerWaalsContact O-CD1 3.3Å; L540-L545 WeakPolarHBondContact O-CD1 3.27Å; L540-A577 HydrophobicContact CD1-CB 3.94Å; L540-A577 HydrophobicContact CD2-CB 3.95Å; L540-A578 HydrophobicContact CD2-CB 4.21Å |
| 541 | N | 81.4 | Confident | 83.4 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | trans | -70 | 159 | 177.7 | 66.5 | 53.9 | 0 | 0 | 0 | 112 | A538 V539 K543 N544 L545 | A538-N541 PolarHBondContact O-ND2 3.26Å; A538-N541 VanDerWaalsContact O-ND2 3.12Å; V539-N541 PolarHBondContact O-N 3.39Å; N541-K543 PolarHBondContact O-N 2.91Å; N541-K543 VanDerWaalsContact O-N 3.1Å; N541-K543 WeakPolarHBondContact OD1-CB 3.49Å; N541-K543 PolarHBondContact OD1-N 3.07Å; N541-K543 VanDerWaalsContact OD1-N 3.16Å; N541-N544 PolarHBondContact ND2-ND2 2.61Å; N541-N544 PolarHBondContact O-N 3.02Å; N541-N544 PolarHBondContact OD1-N 3.11Å; N541-L545 WeakPolarHBondContact O-CG 3.18Å; N541-L545 PolarHBondContact O-N 3.39Å | ||
| 542 | K | 80.7 | Confident | 83.5 | Confident | 174 Ų | 174 | 54.6 Ų | 54.6 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -53.5 | -33.4 | -179 | -82.6 | -176.6 | 176.8 | 176.7 | 0 | 113.8 | K546 | K542-K546 VanDerWaalsContact O-CB 3.26Å; K542-K546 WeakPolarHBondContact O-CB 3.48Å; K542-K546 PolarHBondContact O-N 3.5Å |
| 543 | K | 85.1 | Confident | 83.7 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 55% | 0.552 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67 | -52.6 | -179.5 | 179.8 | -164.6 | 172.9 | -154.4 | 0 | 110.7 | D503 N541 L545 K546 I547 | D503-K543 IonicContact OD1-NZ 3.41Å; D503-K543 PolarHBondContact OD1-NZ 3.37Å; N541-K543 PolarHBondContact O-N 2.91Å; N541-K543 VanDerWaalsContact O-N 3.1Å; N541-K543 WeakPolarHBondContact OD1-CB 3.49Å; N541-K543 PolarHBondContact OD1-N 3.07Å; N541-K543 VanDerWaalsContact OD1-N 3.16Å; K543-L545 PolarHBondContact O-N 2.95Å; K543-K546 PolarHBondContact O-N 3.08Å; K543-I547 HydrophobicContact CG-CD1 4.19Å; K543-I547 WeakPolarHBondContact O-CG1 3.48Å; K543-I547 PolarHBondContact O-N 3.29Å; K543-I547 VanDerWaalsContact O-N 3.13Å |
| 544 | N | 87.3 | Confident | 83.9 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.011 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | -179.7 | -72.6 | -18.4 | 0 | 0 | 0 | 111.8 | F502 D503 V539 N541 K546 I547 V548 | F502-N544 HydrophobicContact CD1-CB 4.08Å; F502-N544 HydrophobicContact CE1-CB 4.34Å; D503-N544 PolarHBondContact OD1-OD1 3.25Å; V539-N544 WeakPolarHBondContact O-CB 3.12Å; V539-N544 PolarHBondContact O-ND2 3.23Å; N541-N544 PolarHBondContact ND2-ND2 2.61Å; N541-N544 PolarHBondContact O-N 3.02Å; N541-N544 PolarHBondContact OD1-N 3.11Å; N544-K546 PolarHBondContact O-N 3.32Å; N544-I547 PolarHBondContact O-N 3.25Å; N544-V548 WeakPolarHBondContact O-CG2 3.33Å; N544-V548 PolarHBondContact O-N 3.31Å |
| 545 | L | 88.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 174.6 | -69.7 | 174.7 | 0 | 0 | 0 | 111.7 | L540 N541 K543 I547 V548 V549 I574 A578 T582 L586 | L540-L545 HydrophobicContact CD2-CD2 4.12Å; L540-L545 VanDerWaalsContact O-CD1 3.3Å; L540-L545 WeakPolarHBondContact O-CD1 3.27Å; N541-L545 WeakPolarHBondContact O-CG 3.18Å; N541-L545 PolarHBondContact O-N 3.39Å; K543-L545 PolarHBondContact O-N 2.95Å; L545-I547 VanDerWaalsContact C-N 3.31Å; L545-I547 PolarHBondContact O-N 3.37Å; L545-V548 PolarHBondContact O-N 3.25Å; L545-V549 HydrophobicContact CB-CG2 4.47Å; L545-V549 HydrophobicContact CD2-CG2 4.47Å; L545-V549 VanDerWaalsContact O-CB 3.27Å; L545-V549 WeakPolarHBondContact O-CB 3.26Å; L545-V549 WeakPolarHBondContact O-CG2 3.46Å; L545-V549 PolarHBondContact O-N 2.98Å; L545-I574 HydrophobicContact CD2-CG2 3.54Å; L545-A578 HydrophobicContact CD1-CB 3.91Å; L545-A578 HydrophobicContact CD2-CB 4.2Å; L545-T582 HydrophobicContact CD1-CG2 3.57Å; L545-L586 HydrophobicContact CB-CD1 3.75Å |
| 546 | K | 87.2 | Confident | 85.3 | Confident | 152 Ų | 152 | 54.6 Ų | 54.6 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 179.1 | -170.6 | 175 | -177.2 | 179.3 | 0 | 112.8 | K542 K543 N544 V548 L586 | K542-K546 VanDerWaalsContact O-CB 3.26Å; K542-K546 WeakPolarHBondContact O-CB 3.48Å; K542-K546 PolarHBondContact O-N 3.5Å; K543-K546 PolarHBondContact O-N 3.08Å; N544-K546 PolarHBondContact O-N 3.32Å; K546-V548 VanDerWaalsContact C-N 3.31Å; K546-V548 PolarHBondContact O-N 3.29Å; K546-L586 HydrophobicContact CB-CD2 4.36Å; K546-L586 HydrophobicContact CG-CD2 4.39Å |
| 547 | I | 90 | Very high | 86.1 | Confident | 57 Ų | 57 | 54.2 Ų | 54.2 | 29% | 0.292 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66 | -34.2 | 178.5 | -69.1 | 165.6 | 0 | 0 | 0 | 111.5 | A506 V510 K543 N544 L545 P551 | A506-I547 HydrophobicContact CB-CG2 4.19Å; V510-I547 HydrophobicContact CG2-CG2 3.73Å; V510-I547 WeakPolarHBondContact CG2-O 3.49Å; K543-I547 HydrophobicContact CG-CD1 4.19Å; K543-I547 WeakPolarHBondContact O-CG1 3.48Å; K543-I547 PolarHBondContact O-N 3.29Å; K543-I547 VanDerWaalsContact O-N 3.13Å; N544-I547 PolarHBondContact O-N 3.25Å; L545-I547 VanDerWaalsContact C-N 3.31Å; L545-I547 PolarHBondContact O-N 3.37Å; I547-P551 WeakPolarHBondContact O-CD 3.45Å; I547-P551 WeakPolarHBondContact O-CG 3.38Å |
| 548 | V | 91.9 | Very high | 87.1 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -103.1 | -40.4 | -168.7 | -177.9 | 0 | 0 | 0 | 0 | 113.2 | F502 I528 F532 N544 L545 K546 P551 L552 I574 | F502-V548 HydrophobicContact CE1-CG2 3.63Å; F502-V548 HydrophobicContact CZ-CG2 3.54Å; I528-V548 HydrophobicContact CB-CG1 4.48Å; I528-V548 HydrophobicContact CD1-CG1 3.88Å; I528-V548 HydrophobicContact CG1-CG1 4.2Å; I528-V548 HydrophobicContact CG2-CG1 3.47Å; I528-V548 VanDerWaalsContact CG2-CG1 3.47Å; F532-V548 HydrophobicContact CE2-CG1 4.43Å; F532-V548 HydrophobicContact CE2-CG2 4.25Å; F532-V548 HydrophobicContact CZ-CG2 4.29Å; N544-V548 WeakPolarHBondContact O-CG2 3.33Å; N544-V548 PolarHBondContact O-N 3.31Å; L545-V548 PolarHBondContact O-N 3.25Å; K546-V548 VanDerWaalsContact C-N 3.31Å; K546-V548 PolarHBondContact O-N 3.29Å; V548-P551 WeakPolarHBondContact O-CD 3.21Å; V548-L552 HydrophobicContact CG1-CD1 3.93Å; V548-L552 HydrophobicContact CG1-CG 4.39Å; V548-L552 PolarHBondContact O-N 3.42Å; V548-L552 VanDerWaalsContact O-N 3.08Å; V548-I574 HydrophobicContact CG1-CD1 4.44Å |
| 549 | V | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | -175.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | L545 L552 A553 L571 I574 I583 L586 L587 | L545-V549 HydrophobicContact CB-CG2 4.47Å; L545-V549 HydrophobicContact CD2-CG2 4.47Å; L545-V549 VanDerWaalsContact O-CB 3.27Å; L545-V549 WeakPolarHBondContact O-CB 3.26Å; L545-V549 WeakPolarHBondContact O-CG2 3.46Å; L545-V549 PolarHBondContact O-N 2.98Å; V549-L552 PolarHBondContact O-N 2.98Å; V549-A553 WeakPolarHBondContact O-CB 3.14Å; V549-A553 PolarHBondContact O-N 3.24Å; V549-L571 HydrophobicContact CG1-CD2 4.11Å; V549-I574 HydrophobicContact CG2-CD1 4.34Å; V549-I574 HydrophobicContact CG2-CG2 4.21Å; V549-I583 HydrophobicContact CG1-CG1 4.31Å; V549-I583 HydrophobicContact CG2-CG1 4.44Å; V549-L586 HydrophobicContact CB-CB 4.16Å; V549-L586 HydrophobicContact CG1-CB 3.73Å; V549-L586 HydrophobicContact CG2-CD1 4.5Å; V549-L587 HydrophobicContact CG1-CD2 3.94Å; V549-L587 HydrophobicContact CG1-CG 4.38Å |
| 550 | G | 89.3 | Confident | 88.7 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L552 A553 K554 | G550-L552 PolarHBondContact O-N 3.15Å; G550-A553 PolarHBondContact O-N 2.92Å; G550-K554 PolarHBondContact O-N 2.92Å; G550-K554 VanDerWaalsContact O-N 3.11Å |
| 551 | P | 91.7 | Very high | 89.3 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.6 | -39.1 | 172.3 | -30.4 | 38.5 | 0 | 0 | 0 | 114.6 | V510 L513 I547 V548 K554 T555 | V510-P551 HydrophobicContact CG1-CB 4.1Å; V510-P551 HydrophobicContact CG1-CG 3.71Å; V510-P551 HydrophobicContact CG2-CG 4.25Å; L513-P551 HydrophobicContact CD2-CB 3.74Å; I547-P551 WeakPolarHBondContact O-CD 3.45Å; I547-P551 WeakPolarHBondContact O-CG 3.38Å; V548-P551 WeakPolarHBondContact O-CD 3.21Å; P551-K554 PolarHBondContact O-N 3.29Å; P551-T555 PolarHBondContact O-N 3.34Å; P551-T555 PolarHBondContact O-OG1 3.3Å |
| 552 | L | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 174.6 | -79.3 | 173.8 | 0 | 0 | 0 | 112.4 | L513 A525 I528 V548 V549 G550 K554 T555 I556 A567 A570 L571 I574 | L513-L552 HydrophobicContact CD1-CD2 4.06Å; L513-L552 HydrophobicContact CD2-CD2 3.88Å; L513-L552 HydrophobicContact CD2-CG 4.04Å; A525-L552 HydrophobicContact CB-CD2 4.12Å; I528-L552 HydrophobicContact CD1-CD2 4.34Å; I528-L552 HydrophobicContact CG2-CD1 3.99Å; V548-L552 HydrophobicContact CG1-CD1 3.93Å; V548-L552 HydrophobicContact CG1-CG 4.39Å; V548-L552 PolarHBondContact O-N 3.42Å; V548-L552 VanDerWaalsContact O-N 3.08Å; V549-L552 PolarHBondContact O-N 2.98Å; G550-L552 PolarHBondContact O-N 3.15Å; L552-K554 PolarHBondContact O-N 3.17Å; L552-T555 WeakPolarHBondContact O-CA 3.25Å; L552-T555 WeakPolarHBondContact O-CB 3.45Å; L552-T555 PolarHBondContact O-N 3.25Å; L552-I556 PolarHBondContact O-N 3.49Å; L552-A567 HydrophobicContact CD2-CB 4.29Å; L552-A570 HydrophobicContact CD1-CB 3.93Å; L552-A570 HydrophobicContact CD2-CB 3.93Å; L552-L571 HydrophobicContact CB-CD1 4.36Å; L552-L571 HydrophobicContact CB-CD2 3.76Å; L552-L571 HydrophobicContact CB-CG 3.97Å; L552-L571 HydrophobicContact CD1-CD2 3.99Å; L552-L571 HydrophobicContact CD1-CG 4.3Å; L552-I574 HydrophobicContact CD1-CD1 3.64Å |
| 553 | A | 91 | Very high | 90.5 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -31.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | V549 G550 I556 L587 V590 | V549-A553 WeakPolarHBondContact O-CB 3.14Å; V549-A553 PolarHBondContact O-N 3.24Å; G550-A553 PolarHBondContact O-N 2.92Å; A553-I556 WeakPolarHBondContact O-CG2 3.14Å; A553-L587 HydrophobicContact CB-CD2 4.29Å; A553-V590 HydrophobicContact CB-CG2 3.92Å; A553-V590 WeakPolarHBondContact O-CG2 3.32Å |
| 554 | K | 90.4 | Very high | 90.9 | Very high | 170 Ų | 170 | 49.3 Ų | 49.3 | 74% | 0.739 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -71.9 | -40.1 | 169 | -68.9 | -177.4 | -179.9 | -178.4 | 0 | 112 | G550 P551 L552 I556 S557 | G550-K554 PolarHBondContact O-N 2.92Å; G550-K554 VanDerWaalsContact O-N 3.11Å; P551-K554 PolarHBondContact O-N 3.29Å; L552-K554 PolarHBondContact O-N 3.17Å; K554-I556 VanDerWaalsContact C-N 3.32Å; K554-I556 PolarHBondContact O-N 3.38Å; K554-S557 PolarHBondContact O-N 3.26Å; K554-S557 VanDerWaalsContact O-N 3.16Å |
| 555 | T | 91.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -28.6 | -176.2 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | L513 P551 L552 S557 E558 V563 A567 | L513-T555 HydrophobicContact CD1-CG2 4.37Å; L513-T555 HydrophobicContact CG-CG2 4.41Å; P551-T555 PolarHBondContact O-N 3.34Å; P551-T555 PolarHBondContact O-OG1 3.3Å; L552-T555 WeakPolarHBondContact O-CA 3.25Å; L552-T555 WeakPolarHBondContact O-CB 3.45Å; L552-T555 PolarHBondContact O-N 3.25Å; T555-S557 PolarHBondContact O-N 2.87Å; T555-S557 VanDerWaalsContact O-N 3.14Å; T555-E558 WeakPolarHBondContact O-CB 3.31Å; T555-E558 PolarHBondContact O-N 2.73Å; T555-E558 VanDerWaalsContact O-N 3.16Å; T555-V563 HydrophobicContact CG2-CG1 3.46Å; T555-V563 VanDerWaalsContact CG2-CG1 3.46Å; T555-A567 HydrophobicContact CG2-CB 3.95Å |
| 556 | I | 92.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.4 | 174.7 | -152.8 | 176.2 | 0 | 0 | 0 | 113.3 | L552 A553 K554 R564 A567 A568 L571 V590 K596 I600 | L552-I556 PolarHBondContact O-N 3.49Å; A553-I556 WeakPolarHBondContact O-CG2 3.14Å; K554-I556 VanDerWaalsContact C-N 3.32Å; K554-I556 PolarHBondContact O-N 3.38Å; I556-R564 WeakPolarHBondContact O-CD 3.19Å; I556-R564 WeakPolarHBondContact O-CG 3.17Å; I556-A567 HydrophobicContact CB-CB 4.32Å; I556-A568 HydrophobicContact CD1-CB 3.87Å; I556-A568 HydrophobicContact CG1-CB 4.22Å; I556-L571 HydrophobicContact CD1-CD1 4.26Å; I556-V590 HydrophobicContact CG2-CG1 4.48Å; I556-V590 HydrophobicContact CG2-CG2 4.07Å; I556-K596 HydrophobicContact CD1-CB 4.46Å; I556-K596 HydrophobicContact CG2-CD 4.03Å; I556-I600 HydrophobicContact CD1-CD1 3.96Å; I556-I600 HydrophobicContact CD1-CG1 4.01Å |
| 557 | S | 88.6 | Confident | 91.9 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 9.2 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 113 | K554 T555 K596 | K554-S557 PolarHBondContact O-N 3.26Å; K554-S557 VanDerWaalsContact O-N 3.16Å; T555-S557 PolarHBondContact O-N 2.87Å; T555-S557 VanDerWaalsContact O-N 3.14Å; S557-K596 PolarHBondContact OG-NZ 3.26Å; S557-K596 VanDerWaalsContact OG-NZ 3.16Å |
| 558 | E | 90.9 | Very high | 92.2 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -65.9 | 160.7 | 176.2 | -97.9 | -76.2 | -165.3 | 0 | 0 | 113.4 | K521 T555 V563 R564 | K521-E558 IonicContact NZ-OE1 2.84Å; K521-E558 PolarHBondContact NZ-OE1 2.83Å; T555-E558 WeakPolarHBondContact O-CB 3.31Å; T555-E558 PolarHBondContact O-N 2.73Å; T555-E558 VanDerWaalsContact O-N 3.16Å; E558-V563 HydrophobicContact CB-CB 4.38Å; E558-V563 HydrophobicContact CB-CG1 3.85Å; E558-V563 HydrophobicContact CG-CG1 4.12Å; E558-R564 WeakPolarHBondContact O-CD 3.42Å; E558-R564 WeakPolarHBondContact O-CG 3.17Å; E558-R564 PolarHBondContact O-NH1 2.97Å |
| 559 | S | 87.8 | Confident | 92.3 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 69% | 0.692 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -72.1 | -32.1 | -178.4 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | R564 | S559-R564 PolarHBondContact O-NH1 3.45Š|
| 560 | D | 90.9 | Very high | 92.5 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -80.5 | 125.6 | -178.4 | -174.1 | -61.7 | 0 | 0 | 0 | 111.6 | E562 V563 R564 | D560-E562 WeakPolarHBondContact OD1-CB 3.12Å; D560-E562 PolarHBondContact OD1-N 2.91Å; D560-V563 HydrophobicContact CB-CB 4.05Å; D560-V563 HydrophobicContact CB-CG2 3.75Å; D560-V563 PolarHBondContact O-N 3.06Å; D560-V563 PolarHBondContact OD1-N 2.89Å; D560-R564 WeakPolarHBondContact O-CG 3.47Å; D560-R564 PolarHBondContact O-N 3.23Å; D560-R564 VanDerWaalsContact O-N 3.1Å |
| 561 | P | 91.5 | Very high | 92.8 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -38.6 | -177 | 25.4 | -32.5 | 0 | 0 | 0 | 113.7 | V563 R564 D565 | P561-V563 VanDerWaalsContact C-N 3.27Å; P561-V563 PolarHBondContact O-N 3.38Å; P561-R564 PolarHBondContact O-N 2.96Å; P561-D565 WeakPolarHBondContact O-CB 3.49Å; P561-D565 PolarHBondContact O-N 2.84Å |
| 562 | E | 91.5 | Very high | 92.8 | Very high | 129 Ų | 129 | 41.7 Ų | 41.7 | 60% | 0.603 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65 | -36.9 | 178.8 | -66.7 | -175.5 | 177 | 0 | 0 | 110.7 | V522 D560 D565 S566 | V522-E562 HydrophobicContact CG2-CB 3.86Å; D560-E562 WeakPolarHBondContact OD1-CB 3.12Å; D560-E562 PolarHBondContact OD1-N 2.91Å; E562-D565 PolarHBondContact O-N 3.4Å; E562-S566 WeakPolarHBondContact O-CB 3.48Å; E562-S566 PolarHBondContact O-N 3.36Å; E562-S566 PolarHBondContact O-OG 2.93Å |
| 563 | V | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -44 | 175 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | P518 K521 V522 T555 E558 D560 P561 S566 A567 | P518-V563 HydrophobicContact CB-CG2 3.84Å; K521-V563 HydrophobicContact CB-CG1 4.02Å; K521-V563 HydrophobicContact CB-CG2 4.21Å; K521-V563 HydrophobicContact CD-CG1 3.94Å; K521-V563 HydrophobicContact CD-CG2 4.46Å; V522-V563 HydrophobicContact CG2-CB 4.44Å; V522-V563 HydrophobicContact CG2-CG2 3.8Å; T555-V563 HydrophobicContact CG2-CG1 3.46Å; T555-V563 VanDerWaalsContact CG2-CG1 3.46Å; E558-V563 HydrophobicContact CB-CB 4.38Å; E558-V563 HydrophobicContact CB-CG1 3.85Å; E558-V563 HydrophobicContact CG-CG1 4.12Å; D560-V563 HydrophobicContact CB-CB 4.05Å; D560-V563 HydrophobicContact CB-CG2 3.75Å; D560-V563 PolarHBondContact O-N 3.06Å; D560-V563 PolarHBondContact OD1-N 2.89Å; P561-V563 VanDerWaalsContact C-N 3.27Å; P561-V563 PolarHBondContact O-N 3.38Å; V563-S566 PolarHBondContact O-OG 3.34Å; V563-S566 VanDerWaalsContact O-OG 3.04Å; V563-A567 WeakPolarHBondContact O-CB 3.27Å; V563-A567 PolarHBondContact O-N 3.09Å; V563-A567 VanDerWaalsContact O-N 3.08Å |
| 564 | R | 93.7 | Very high | 92.8 | Very high | 85 Ų | 85 | 41.8 Ų | 41.8 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.2 | -66.7 | -164.8 | -67.1 | -92 | -2 | 112 | I556 E558 S559 D560 P561 A567 A568 | I556-R564 WeakPolarHBondContact O-CD 3.19Å; I556-R564 WeakPolarHBondContact O-CG 3.17Å; E558-R564 WeakPolarHBondContact O-CD 3.42Å; E558-R564 WeakPolarHBondContact O-CG 3.17Å; E558-R564 PolarHBondContact O-NH1 2.97Å; S559-R564 PolarHBondContact O-NH1 3.45Å; D560-R564 WeakPolarHBondContact O-CG 3.47Å; D560-R564 PolarHBondContact O-N 3.23Å; D560-R564 VanDerWaalsContact O-N 3.1Å; P561-R564 PolarHBondContact O-N 2.96Å; R564-A567 PolarHBondContact O-N 3.01Å; R564-A568 WeakPolarHBondContact O-CB 3.33Å; R564-A568 PolarHBondContact O-N 3.44Å |
| 565 | D | 94.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 34.7 Ų | 34.7 | 37% | 0.369 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.7 | -42.6 | -176 | -68.5 | -11.5 | 0 | 0 | 0 | 111.9 | P561 E562 A568 T569 K599 | P561-D565 WeakPolarHBondContact O-CB 3.49Å; P561-D565 PolarHBondContact O-N 2.84Å; E562-D565 PolarHBondContact O-N 3.4Å; D565-A568 PolarHBondContact O-N 2.89Å; D565-T569 WeakPolarHBondContact O-CB 3.47Å; D565-T569 PolarHBondContact O-N 3.01Å; D565-T569 PolarHBondContact O-OG1 3.03Å; D565-K599 WeakPolarHBondContact OD1-CE 3.47Å; D565-K599 IonicContact OD1-NZ 3.78Å; D565-K599 PolarHBondContact OD1-NZ 3.42Å |
| 566 | S | 95.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 174.6 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | V522 E562 V563 T569 A570 | V522-S566 WeakPolarHBondContact CA-OG 3.42Å; E562-S566 WeakPolarHBondContact O-CB 3.48Å; E562-S566 PolarHBondContact O-N 3.36Å; E562-S566 PolarHBondContact O-OG 2.93Å; V563-S566 PolarHBondContact O-OG 3.34Å; V563-S566 VanDerWaalsContact O-OG 3.04Å; S566-T569 PolarHBondContact O-N 3.33Å; S566-A570 WeakPolarHBondContact O-CB 3.3Å; S566-A570 PolarHBondContact O-N 2.9Å |
| 567 | A | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L552 T555 I556 V563 R564 T569 A570 L571 | L552-A567 HydrophobicContact CD2-CB 4.29Å; T555-A567 HydrophobicContact CG2-CB 3.95Å; I556-A567 HydrophobicContact CB-CB 4.32Å; V563-A567 WeakPolarHBondContact O-CB 3.27Å; V563-A567 PolarHBondContact O-N 3.09Å; V563-A567 VanDerWaalsContact O-N 3.08Å; R564-A567 PolarHBondContact O-N 3.01Å; A567-T569 VanDerWaalsContact C-N 3.35Å; A567-A570 PolarHBondContact O-N 3.41Å; A567-L571 WeakPolarHBondContact O-CG 3.3Å; A567-L571 PolarHBondContact O-N 3.45Å |
| 568 | A | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I556 R564 D565 A570 L571 A572 K599 L603 | I556-A568 HydrophobicContact CD1-CB 3.87Å; I556-A568 HydrophobicContact CG1-CB 4.22Å; R564-A568 WeakPolarHBondContact O-CB 3.33Å; R564-A568 PolarHBondContact O-N 3.44Å; D565-A568 PolarHBondContact O-N 2.89Å; A568-A570 PolarHBondContact O-N 3.21Å; A568-L571 PolarHBondContact O-N 3.07Å; A568-A572 WeakPolarHBondContact O-CB 3.4Å; A568-A572 PolarHBondContact O-N 3.36Å; A568-K599 HydrophobicContact CB-CD 4.49Å; A568-K599 HydrophobicContact CB-CG 4.44Å; A568-L603 HydrophobicContact CB-CD1 3.65Å |
| 569 | T | 95.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 24% | 0.239 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 176 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L526 D565 S566 A567 A572 S573 Q607 | L526-T569 HydrophobicContact CD2-CG2 4.3Å; D565-T569 WeakPolarHBondContact O-CB 3.47Å; D565-T569 PolarHBondContact O-N 3.01Å; D565-T569 PolarHBondContact O-OG1 3.03Å; S566-T569 PolarHBondContact O-N 3.33Å; A567-T569 VanDerWaalsContact C-N 3.35Å; T569-A572 WeakPolarHBondContact O-CB 3.4Å; T569-A572 PolarHBondContact O-N 3.18Å; T569-S573 PolarHBondContact O-N 2.81Å; T569-S573 PolarHBondContact O-OG 3.38Å; T569-S573 VanDerWaalsContact O-OG 3.12Å; T569-Q607 VanDerWaalsContact CG2-NE2 3.34Å; T569-Q607 PolarHBondContact O-NE2 3.11Å |
| 570 | A | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A525 L552 S566 A567 A568 A572 S573 I574 | A525-A570 HydrophobicContact CB-CB 4.38Å; A525-A570 WeakPolarHBondContact O-CB 3.38Å; L552-A570 HydrophobicContact CD1-CB 3.93Å; L552-A570 HydrophobicContact CD2-CB 3.93Å; S566-A570 WeakPolarHBondContact O-CB 3.3Å; S566-A570 PolarHBondContact O-N 2.9Å; A567-A570 PolarHBondContact O-N 3.41Å; A568-A570 PolarHBondContact O-N 3.21Å; A570-A572 VanDerWaalsContact C-N 3.31Å; A570-A572 PolarHBondContact O-N 2.88Å; A570-S573 PolarHBondContact O-N 2.74Å; A570-I574 VanDerWaalsContact O-CG1 3.31Å; A570-I574 WeakPolarHBondContact O-CG1 3.06Å; A570-I574 PolarHBondContact O-N 3.43Å |
| 571 | L | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 175.2 | -72.7 | 172.6 | 0 | 0 | 0 | 111.7 | V549 L552 I556 A567 A568 I574 W575 L587 I600 | V549-L571 HydrophobicContact CG1-CD2 4.11Å; L552-L571 HydrophobicContact CB-CD1 4.36Å; L552-L571 HydrophobicContact CB-CD2 3.76Å; L552-L571 HydrophobicContact CB-CG 3.97Å; L552-L571 HydrophobicContact CD1-CD2 3.99Å; L552-L571 HydrophobicContact CD1-CG 4.3Å; I556-L571 HydrophobicContact CD1-CD1 4.26Å; A567-L571 WeakPolarHBondContact O-CG 3.3Å; A567-L571 PolarHBondContact O-N 3.45Å; A568-L571 PolarHBondContact O-N 3.07Å; L571-I574 PolarHBondContact O-N 3.04Å; L571-W575 VanDerWaalsContact O-CB 3.26Å; L571-W575 WeakPolarHBondContact O-CB 3.44Å; L571-W575 PolarHBondContact O-N 2.97Å; L571-L587 HydrophobicContact CD1-CD2 4.04Å; L571-L587 HydrophobicContact CD2-CD2 3.89Å; L571-I600 HydrophobicContact CB-CD1 4.29Å; L571-I600 HydrophobicContact CB-CG1 4.28Å; L571-I600 HydrophobicContact CB-CG2 4.15Å; L571-I600 HydrophobicContact CD1-CD1 3.81Å; L571-I600 HydrophobicContact CD1-CG1 4.42Å |
| 572 | A | 93.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A568 T569 A570 I574 W575 N576 L603 A604 | A568-A572 WeakPolarHBondContact O-CB 3.4Å; A568-A572 PolarHBondContact O-N 3.36Å; T569-A572 WeakPolarHBondContact O-CB 3.4Å; T569-A572 PolarHBondContact O-N 3.18Å; A570-A572 VanDerWaalsContact C-N 3.31Å; A570-A572 PolarHBondContact O-N 2.88Å; A572-I574 PolarHBondContact O-N 3.09Å; A572-W575 VanDerWaalsContact O-CB 3.32Å; A572-W575 WeakPolarHBondContact O-CB 3.47Å; A572-W575 PolarHBondContact O-N 3Å; A572-N576 PolarHBondContact O-N 3.35Å; A572-L603 HydrophobicContact CB-CB 3.7Å; A572-A604 HydrophobicContact CB-CB 3.92Å |
| 573 | S | 92.8 | Very high | 91 | Very high | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | T569 A570 W575 N576 A577 Q607 | T569-S573 PolarHBondContact O-N 2.81Å; T569-S573 PolarHBondContact O-OG 3.38Å; T569-S573 VanDerWaalsContact O-OG 3.12Å; A570-S573 PolarHBondContact O-N 2.74Å; S573-W575 VanDerWaalsContact C-N 3.32Å; S573-N576 PolarHBondContact O-N 3.25Å; S573-A577 WeakPolarHBondContact O-CB 3.16Å; S573-A577 PolarHBondContact O-N 2.98Å; S573-Q607 VanDerWaalsContact CA-OE1 3.23Å; S573-Q607 PolarHBondContact OG-NE2 3.03Å; S573-Q607 VanDerWaalsContact OG-NE2 3.08Å; S573-Q607 PolarHBondContact OG-OE1 3.45Å |
| 574 | I | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.4 | -36.9 | 174.2 | -62.6 | 166.4 | 0 | 0 | 0 | 110.6 | I528 F532 L545 V548 V549 L552 A570 L571 A572 N576 A577 A578 I583 | I528-I574 HydrophobicContact CG2-CD1 3.95Å; F532-I574 HydrophobicContact CB-CG1 4.17Å; F532-I574 HydrophobicContact CG-CG1 4.38Å; L545-I574 HydrophobicContact CD2-CG2 3.54Å; V548-I574 HydrophobicContact CG1-CD1 4.44Å; V549-I574 HydrophobicContact CG2-CD1 4.34Å; V549-I574 HydrophobicContact CG2-CG2 4.21Å; L552-I574 HydrophobicContact CD1-CD1 3.64Å; A570-I574 VanDerWaalsContact O-CG1 3.31Å; A570-I574 WeakPolarHBondContact O-CG1 3.06Å; A570-I574 PolarHBondContact O-N 3.43Å; L571-I574 PolarHBondContact O-N 3.04Å; A572-I574 PolarHBondContact O-N 3.09Å; I574-N576 VanDerWaalsContact C-N 3.33Å; I574-N576 PolarHBondContact O-N 3.27Å; I574-A577 PolarHBondContact O-N 3.18Å; I574-A578 HydrophobicContact CG2-CB 4.32Å; I574-A578 VanDerWaalsContact O-CB 3.3Å; I574-A578 WeakPolarHBondContact O-CB 3.14Å; I574-A578 PolarHBondContact O-N 3.26Å; I574-I583 HydrophobicContact CB-CD1 4.01Å; I574-I583 HydrophobicContact CG2-CD1 3.78Å; I574-I583 HydrophobicContact CG2-CG1 4.43Å |
| 575 | W | 90.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.9 | -172.6 | -71.7 | 0 | 0 | 0 | 111.2 | L571 A572 S573 G579 E580 I583 L587 M597 I600 K601 A604 | L571-W575 VanDerWaalsContact O-CB 3.26Å; L571-W575 WeakPolarHBondContact O-CB 3.44Å; L571-W575 PolarHBondContact O-N 2.97Å; A572-W575 VanDerWaalsContact O-CB 3.32Å; A572-W575 WeakPolarHBondContact O-CB 3.47Å; A572-W575 PolarHBondContact O-N 3Å; S573-W575 VanDerWaalsContact C-N 3.32Å; W575-G579 VanDerWaalsContact O-CA 3.27Å; W575-G579 WeakPolarHBondContact O-CA 3.25Å; W575-G579 PolarHBondContact O-N 3.39Å; W575-E580 HydrophobicContact CH2-CB 4.31Å; W575-E580 HydrophobicContact CH2-CG 3.76Å; W575-E580 HydrophobicContact CZ2-CB 3.54Å; W575-E580 HydrophobicContact CZ2-CG 3.32Å; W575-I583 HydrophobicContact CB-CD1 4.03Å; W575-I583 HydrophobicContact CB-CG2 4.41Å; W575-I583 HydrophobicContact CD2-CG2 3.64Å; W575-I583 HydrophobicContact CE3-CB 4.5Å; W575-I583 HydrophobicContact CE3-CD1 4.18Å; W575-I583 HydrophobicContact CE3-CG2 3.25Å; W575-I583 HydrophobicContact CG-CG2 4.16Å; W575-I583 HydrophobicContact CH2-CG2 4.41Å; W575-I583 HydrophobicContact CZ3-CG2 3.67Å; W575-L587 HydrophobicContact CZ3-CD1 4.03Å; W575-M597 HydrophobicContact CH2-CE 3.54Å; W575-M597 HydrophobicContact CZ3-CE 3.54Å; W575-I600 HydrophobicContact CE3-CG2 4.03Å; W575-K601 HydrophobicContact CZ2-CG 4.25Å; W575-A604 HydrophobicContact CB-CB 4.45Å; W575-A604 HydrophobicContact CG-CB 4.45Å |
| 576 | N | 90.5 | Very high | 89.9 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 175.9 | -74.2 | -21.8 | 0 | 0 | 0 | 112.4 | A572 S573 I574 A604 K608 | A572-N576 PolarHBondContact O-N 3.35Å; S573-N576 PolarHBondContact O-N 3.25Å; I574-N576 VanDerWaalsContact C-N 3.33Å; I574-N576 PolarHBondContact O-N 3.27Å; N576-A604 PolarHBondContact ND2-O 2.96Å; N576-K608 VanDerWaalsContact OD1-CE 3.26Å; N576-K608 WeakPolarHBondContact OD1-CE 3.44Å |
| 577 | A | 86.5 | Confident | 89.6 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 31% | 0.314 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -77.7 | -38.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L540 S573 I574 | L540-A577 HydrophobicContact CD1-CB 3.94Å; L540-A577 HydrophobicContact CD2-CB 3.95Å; S573-A577 WeakPolarHBondContact O-CB 3.16Å; S573-A577 PolarHBondContact O-N 2.98Å; I574-A577 PolarHBondContact O-N 3.18Å |
| 578 | A | 86.1 | Confident | 89.1 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -100.7 | -15.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L540 L545 I574 T582 | L540-A578 HydrophobicContact CD2-CB 4.21Å; L545-A578 HydrophobicContact CD1-CB 3.91Å; L545-A578 HydrophobicContact CD2-CB 4.2Å; I574-A578 HydrophobicContact CG2-CB 4.32Å; I574-A578 VanDerWaalsContact O-CB 3.3Å; I574-A578 WeakPolarHBondContact O-CB 3.14Å; I574-A578 PolarHBondContact O-N 3.26Å; A578-T582 WeakPolarHBondContact O-CB 3.4Å; A578-T582 PolarHBondContact O-OG1 3.43Å |
| 579 | G | 85 | Confident | 88.4 | Confident | 31 Ų | 31 | 42.1 Ų | 42.1 | 32% | 0.32 | 26% | 0.262 | S | S | . | . | trans | 80.1 | 152.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W575 G581 T582 I583 | W575-G579 VanDerWaalsContact O-CA 3.27Å; W575-G579 WeakPolarHBondContact O-CA 3.25Å; W575-G579 PolarHBondContact O-N 3.39Å; G579-G581 VanDerWaalsContact C-N 3.32Å; G579-G581 PolarHBondContact O-N 3.38Å; G579-T582 PolarHBondContact O-N 3.08Å; G579-I583 PolarHBondContact O-N 2.91Å | ||
| 580 | E | 84.3 | Confident | 88 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53.9 | -43.4 | -176.8 | 173.7 | 160.5 | -157.2 | 0 | 0 | 112.9 | W575 T582 I583 K584 K601 | W575-E580 HydrophobicContact CH2-CB 4.31Å; W575-E580 HydrophobicContact CH2-CG 3.76Å; W575-E580 HydrophobicContact CZ2-CB 3.54Å; W575-E580 HydrophobicContact CZ2-CG 3.32Å; E580-T582 VanDerWaalsContact C-N 3.26Å; E580-T582 PolarHBondContact O-N 3.08Å; E580-I583 PolarHBondContact O-N 2.86Å; E580-K584 VanDerWaalsContact O-CB 3.22Å; E580-K584 WeakPolarHBondContact O-CB 3.1Å; E580-K584 PolarHBondContact O-N 2.9Å; E580-K601 IonicContact OE1-NZ 3.3Å; E580-K601 PolarHBondContact OE1-NZ 2.95Å; E580-K601 IonicContact OE2-NZ 3.44Å |
| 581 | G | 82.3 | Confident | 87.4 | Confident | 66 Ų | 66 | 42 Ų | 42 | 68% | 0.68 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.9 | -29.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G579 P585 | G579-G581 VanDerWaalsContact C-N 3.32Å; G579-G581 PolarHBondContact O-N 3.38Å; G581-P585 VanDerWaalsContact O-CD 3.29Å; G581-P585 WeakPolarHBondContact O-CD 3.37Å |
| 582 | T | 84.8 | Confident | 86.9 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86.7 | -39.5 | -178.3 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | L545 A578 G579 E580 | L545-T582 HydrophobicContact CD1-CG2 3.57Å; A578-T582 WeakPolarHBondContact O-CB 3.4Å; A578-T582 PolarHBondContact O-OG1 3.43Å; G579-T582 PolarHBondContact O-N 3.08Å; E580-T582 VanDerWaalsContact C-N 3.26Å; E580-T582 PolarHBondContact O-N 3.08Å |
| 583 | I | 87.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.9 | -38.3 | -173.2 | -165 | 174.5 | 0 | 0 | 0 | 112.7 | V549 I574 W575 G579 E580 L586 L587 | V549-I583 HydrophobicContact CG1-CG1 4.31Å; V549-I583 HydrophobicContact CG2-CG1 4.44Å; I574-I583 HydrophobicContact CB-CD1 4.01Å; I574-I583 HydrophobicContact CG2-CD1 3.78Å; I574-I583 HydrophobicContact CG2-CG1 4.43Å; W575-I583 HydrophobicContact CB-CD1 4.03Å; W575-I583 HydrophobicContact CB-CG2 4.41Å; W575-I583 HydrophobicContact CD2-CG2 3.64Å; W575-I583 HydrophobicContact CE3-CB 4.5Å; W575-I583 HydrophobicContact CE3-CD1 4.18Å; W575-I583 HydrophobicContact CE3-CG2 3.25Å; W575-I583 HydrophobicContact CG-CG2 4.16Å; W575-I583 HydrophobicContact CH2-CG2 4.41Å; W575-I583 HydrophobicContact CZ3-CG2 3.67Å; G579-I583 PolarHBondContact O-N 2.91Å; E580-I583 PolarHBondContact O-N 2.86Å; I583-L586 WeakPolarHBondContact O-CB 3.4Å; I583-L586 PolarHBondContact O-N 3.17Å; I583-L587 HydrophobicContact CG1-CG 4.46Å; I583-L587 PolarHBondContact O-N 3.45Å |
| 584 | K | 86.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -56.1 | -43.4 | -174.6 | -172.6 | 178.7 | -178 | 179.4 | 0 | 113.1 | E580 L586 L587 | E580-K584 VanDerWaalsContact O-CB 3.22Å; E580-K584 WeakPolarHBondContact O-CB 3.1Å; E580-K584 PolarHBondContact O-N 2.9Å; K584-L586 PolarHBondContact O-N 3.39Å; K584-L587 PolarHBondContact O-N 3.07Å |
| 585 | P | 86 | Confident | 86 | Confident | 101 Ų | 101 | 64.8 Ų | 64.8 | 66% | 0.656 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -66.3 | -21 | 176 | -21 | 34.1 | 0 | 0 | 0 | 114.6 | G581 | G581-P585 VanDerWaalsContact O-CD 3.29Å; G581-P585 WeakPolarHBondContact O-CD 3.37Å |
| 586 | L | 87 | Confident | 85.9 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -89.3 | -12.3 | -176.7 | -62.9 | 176 | 0 | 0 | 0 | 113.3 | L545 K546 V549 I583 K584 G588 | L545-L586 HydrophobicContact CB-CD1 3.75Å; K546-L586 HydrophobicContact CB-CD2 4.36Å; K546-L586 HydrophobicContact CG-CD2 4.39Å; V549-L586 HydrophobicContact CB-CB 4.16Å; V549-L586 HydrophobicContact CG1-CB 3.73Å; V549-L586 HydrophobicContact CG2-CD1 4.5Å; I583-L586 WeakPolarHBondContact O-CB 3.4Å; I583-L586 PolarHBondContact O-N 3.17Å; K584-L586 PolarHBondContact O-N 3.39Å; L586-G588 VanDerWaalsContact C-N 3.35Å |
| 587 | L | 88.1 | Confident | 86 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -77.5 | -16.6 | -177.9 | -73.5 | 171.5 | 0 | 0 | 0 | 113.8 | V549 A553 L571 W575 I583 K584 E589 V590 A591 M597 | V549-L587 HydrophobicContact CG1-CD2 3.94Å; V549-L587 HydrophobicContact CG1-CG 4.38Å; A553-L587 HydrophobicContact CB-CD2 4.29Å; L571-L587 HydrophobicContact CD1-CD2 4.04Å; L571-L587 HydrophobicContact CD2-CD2 3.89Å; W575-L587 HydrophobicContact CZ3-CD1 4.03Å; I583-L587 HydrophobicContact CG1-CG 4.46Å; I583-L587 PolarHBondContact O-N 3.45Å; K584-L587 PolarHBondContact O-N 3.07Å; L587-E589 PolarHBondContact O-N 3.26Å; L587-V590 HydrophobicContact CB-CB 4.32Å; L587-V590 PolarHBondContact O-N 3.41Å; L587-A591 HydrophobicContact CB-CB 4.21Å; L587-M597 HydrophobicContact CD1-CE 4.29Å; L587-M597 HydrophobicContact CD1-SD 3.64Å |
| 588 | G | 85.9 | Confident | 86.2 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 46% | 0.464 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | 56.7 | -131.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | L586 V590 A591 | L586-G588 VanDerWaalsContact C-N 3.35Å; G588-V590 PolarHBondContact O-N 3.04Å; G588-V590 VanDerWaalsContact O-N 3.08Å; G588-A591 WeakPolarHBondContact O-CB 3.41Å; G588-A591 PolarHBondContact O-N 3.04Å |
| 589 | E | 81.3 | Confident | 86.4 | Confident | 177 Ų | 177 | 72.8 Ų | 72.8 | 83% | 0.827 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -55.6 | -26.3 | -179.8 | -63.1 | 175 | -175.5 | 0 | 0 | 114 | L587 A591 D592 D593 | L587-E589 PolarHBondContact O-N 3.26Å; E589-A591 PolarHBondContact O-N 3.19Å; E589-D592 PolarHBondContact O-N 3.34Å; E589-D593 PolarHBondContact O-N 3.42Å |
| 590 | V | 85.7 | Confident | 86.8 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -66.6 | -27.4 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 111 | A553 I556 L587 G588 D592 D593 K596 M597 I600 | A553-V590 HydrophobicContact CB-CG2 3.92Å; A553-V590 WeakPolarHBondContact O-CG2 3.32Å; I556-V590 HydrophobicContact CG2-CG1 4.48Å; I556-V590 HydrophobicContact CG2-CG2 4.07Å; L587-V590 HydrophobicContact CB-CB 4.32Å; L587-V590 PolarHBondContact O-N 3.41Å; G588-V590 PolarHBondContact O-N 3.04Å; G588-V590 VanDerWaalsContact O-N 3.08Å; V590-D592 PolarHBondContact O-N 3.22Å; V590-D593 PolarHBondContact O-N 3.18Å; V590-K596 HydrophobicContact CG1-CB 3.96Å; V590-K596 HydrophobicContact CG1-CD 4.25Å; V590-M597 WeakPolarHBondContact O-CG 3.41Å; V590-I600 HydrophobicContact CG1-CD1 4.14Å |
| 591 | A | 84.1 | Confident | 87.1 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 24% | 0.24 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -65.6 | -26.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L587 G588 E589 | L587-A591 HydrophobicContact CB-CB 4.21Å; G588-A591 WeakPolarHBondContact O-CB 3.41Å; G588-A591 PolarHBondContact O-N 3.04Å; E589-A591 PolarHBondContact O-N 3.19Å |
| 592 | D | 83.8 | Confident | 87.6 | Confident | 132 Ų | 132 | 71.9 Ų | 71.9 | 71% | 0.706 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -89.5 | -13.6 | 179 | -57.8 | -41.1 | 0 | 0 | 0 | 112.4 | E589 V590 H594 | E589-D592 PolarHBondContact O-N 3.34Å; V590-D592 PolarHBondContact O-N 3.22Å; D592-H594 PolarHBondContact O-N 3.18Å |
| 593 | D | 89.2 | Confident | 87.9 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | trans | -85.2 | 94.8 | 176.1 | -172.7 | -35.3 | 0 | 0 | 0 | 110.3 | E589 V590 L595 K596 M597 | E589-D593 PolarHBondContact O-N 3.42Å; V590-D593 PolarHBondContact O-N 3.18Å; D593-L595 PolarHBondContact O-N 2.92Å; D593-L595 VanDerWaalsContact O-N 3.14Å; D593-L595 PolarHBondContact OD1-N 3.38Å; D593-L595 VanDerWaalsContact OD1-N 3.14Å; D593-K596 HydrophobicContact CB-CB 4.15Å; D593-K596 HydrophobicContact CB-CD 4.07Å; D593-K596 HydrophobicContact CB-CG 4.32Å; D593-K596 PolarHBondContact O-N 3.11Å; D593-K596 PolarHBondContact OD1-N 3.18Å; D593-K596 WeakPolarHBondContact OD2-CD 3.27Å; D593-K596 WeakPolarHBondContact OD2-CE 3.48Å; D593-K596 WeakPolarHBondContact OD2-CG 3.47Å; D593-K596 IonicContact OD2-NZ 2.64Å; D593-K596 PolarHBondContact OD2-NZ 3Å; D593-M597 WeakPolarHBondContact O-CB 3.32Å; D593-M597 WeakPolarHBondContact O-CG 3.44Å; D593-M597 PolarHBondContact O-N 2.84Å | ||
| 594 | H | 84.1 | Confident | 88 | Confident | 169 Ų | 169 | 71.5 Ų | 71.5 | 78% | 0.782 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -53.7 | -33.8 | -179 | -74.4 | -82.4 | 0 | 0 | 0 | 113.8 | D592 K598 | D592-H594 PolarHBondContact O-N 3.18Å; H594-K598 VanDerWaalsContact O-CB 3.24Å; H594-K598 WeakPolarHBondContact O-CB 3.26Å; H594-K598 PolarHBondContact O-N 3.27Å |
| 595 | L | 85.8 | Confident | 88.2 | Confident | 141 Ų | 141 | 72.7 Ų | 72.7 | 74% | 0.738 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -74.1 | -44.7 | -177.8 | -174.4 | 65.2 | 0 | 0 | 0 | 111.2 | D593 K599 | D593-L595 PolarHBondContact O-N 2.92Å; D593-L595 VanDerWaalsContact O-N 3.14Å; D593-L595 PolarHBondContact OD1-N 3.38Å; D593-L595 VanDerWaalsContact OD1-N 3.14Å; L595-K599 PolarHBondContact O-N 2.8Å; L595-K599 VanDerWaalsContact O-N 3.1Å |
| 596 | K | 89 | Confident | 88.2 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 176 | -69.6 | 175.5 | -171.4 | 150.3 | 0 | 111.6 | I556 S557 V590 D593 K599 I600 | I556-K596 HydrophobicContact CD1-CB 4.46Å; I556-K596 HydrophobicContact CG2-CD 4.03Å; S557-K596 PolarHBondContact OG-NZ 3.26Å; S557-K596 VanDerWaalsContact OG-NZ 3.16Å; V590-K596 HydrophobicContact CG1-CB 3.96Å; V590-K596 HydrophobicContact CG1-CD 4.25Å; D593-K596 HydrophobicContact CB-CB 4.15Å; D593-K596 HydrophobicContact CB-CD 4.07Å; D593-K596 HydrophobicContact CB-CG 4.32Å; D593-K596 PolarHBondContact O-N 3.11Å; D593-K596 PolarHBondContact OD1-N 3.18Å; D593-K596 WeakPolarHBondContact OD2-CD 3.27Å; D593-K596 WeakPolarHBondContact OD2-CE 3.48Å; D593-K596 WeakPolarHBondContact OD2-CG 3.47Å; D593-K596 IonicContact OD2-NZ 2.64Å; D593-K596 PolarHBondContact OD2-NZ 3Å; K596-K599 PolarHBondContact O-N 3.11Å; K596-I600 WeakPolarHBondContact O-CG1 3.36Å; K596-I600 PolarHBondContact O-N 2.96Å |
| 597 | M | 91.9 | Very high | 88.1 | Confident | 17 Ų | 17 | 73 Ų | 73 | 8% | 0.084 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.7 | -77.4 | -61.4 | -62.4 | 0 | 0 | 112.2 | W575 L587 V590 D593 K599 I600 K601 | W575-M597 HydrophobicContact CH2-CE 3.54Å; W575-M597 HydrophobicContact CZ3-CE 3.54Å; L587-M597 HydrophobicContact CD1-CE 4.29Å; L587-M597 HydrophobicContact CD1-SD 3.64Å; V590-M597 WeakPolarHBondContact O-CG 3.41Å; D593-M597 WeakPolarHBondContact O-CB 3.32Å; D593-M597 WeakPolarHBondContact O-CG 3.44Å; D593-M597 PolarHBondContact O-N 2.84Å; M597-K599 VanDerWaalsContact C-N 3.33Å; M597-K599 PolarHBondContact O-N 3.3Å; M597-I600 PolarHBondContact O-N 3.11Å; M597-I600 HydrophobicContact SD-CD1 4.47Å; M597-K601 WeakPolarHBondContact O-CG 3.43Å; M597-K601 PolarHBondContact O-N 3.49Å |
| 598 | K | 90.3 | Very high | 87.6 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -57.4 | -47.9 | 173.9 | -177 | 177 | 178.3 | -179.8 | 0 | 110.9 | H594 I600 K601 D602 | H594-K598 VanDerWaalsContact O-CB 3.24Å; H594-K598 WeakPolarHBondContact O-CB 3.26Å; H594-K598 PolarHBondContact O-N 3.27Å; K598-I600 VanDerWaalsContact C-N 3.34Å; K598-I600 PolarHBondContact O-N 3.06Å; K598-K601 PolarHBondContact O-N 3.08Å; K598-K601 VanDerWaalsContact O-N 3.13Å; K598-D602 PolarHBondContact O-N 3.07Å |
| 599 | K | 91.6 | Very high | 87.2 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 178.4 | -173.6 | 171.7 | -176.3 | 170.6 | 0 | 113.7 | D565 A568 L595 K596 M597 L603 | D565-K599 WeakPolarHBondContact OD1-CE 3.47Å; D565-K599 IonicContact OD1-NZ 3.78Å; D565-K599 PolarHBondContact OD1-NZ 3.42Å; A568-K599 HydrophobicContact CB-CD 4.49Å; A568-K599 HydrophobicContact CB-CG 4.44Å; L595-K599 PolarHBondContact O-N 2.8Å; L595-K599 VanDerWaalsContact O-N 3.1Å; K596-K599 PolarHBondContact O-N 3.11Å; M597-K599 VanDerWaalsContact C-N 3.33Å; M597-K599 PolarHBondContact O-N 3.3Å; K599-L603 HydrophobicContact CG-CD1 4.25Å; K599-L603 WeakPolarHBondContact O-CB 3.38Å; K599-L603 WeakPolarHBondContact O-CG 3.13Å; K599-L603 PolarHBondContact O-N 3.39Å; K599-L603 VanDerWaalsContact O-N 3.15Å |
| 600 | I | 92.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 176.3 | -65.9 | 164.2 | 0 | 0 | 0 | 110.4 | I556 L571 W575 V590 K596 M597 K598 A604 | I556-I600 HydrophobicContact CD1-CD1 3.96Å; I556-I600 HydrophobicContact CD1-CG1 4.01Å; L571-I600 HydrophobicContact CB-CD1 4.29Å; L571-I600 HydrophobicContact CB-CG1 4.28Å; L571-I600 HydrophobicContact CB-CG2 4.15Å; L571-I600 HydrophobicContact CD1-CD1 3.81Å; L571-I600 HydrophobicContact CD1-CG1 4.42Å; W575-I600 HydrophobicContact CE3-CG2 4.03Å; V590-I600 HydrophobicContact CG1-CD1 4.14Å; K596-I600 WeakPolarHBondContact O-CG1 3.36Å; K596-I600 PolarHBondContact O-N 2.96Å; M597-I600 PolarHBondContact O-N 3.11Å; M597-I600 HydrophobicContact SD-CD1 4.47Å; K598-I600 VanDerWaalsContact C-N 3.34Å; K598-I600 PolarHBondContact O-N 3.06Å; I600-A604 WeakPolarHBondContact O-CB 3.44Å; I600-A604 PolarHBondContact O-N 3.2Å |
| 601 | K | 90.8 | Very high | 85.1 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 178.8 | -71.7 | -173.4 | 177 | -149.4 | 0 | 112 | W575 E580 M597 K598 L603 A604 E605 | W575-K601 HydrophobicContact CZ2-CG 4.25Å; E580-K601 IonicContact OE1-NZ 3.3Å; E580-K601 PolarHBondContact OE1-NZ 2.95Å; E580-K601 IonicContact OE2-NZ 3.44Å; M597-K601 WeakPolarHBondContact O-CG 3.43Å; M597-K601 PolarHBondContact O-N 3.49Å; K598-K601 PolarHBondContact O-N 3.08Å; K598-K601 VanDerWaalsContact O-N 3.13Å; K601-L603 VanDerWaalsContact C-N 3.29Å; K601-L603 PolarHBondContact O-N 2.74Å; K601-A604 WeakPolarHBondContact O-CB 3.15Å; K601-A604 PolarHBondContact O-N 3.27Å; K601-E605 PolarHBondContact O-N 3.39Å |
| 602 | D | 92.2 | Very high | 83.1 | Confident | 81 Ų | 81 | 88.6 Ų | 88.6 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 178.8 | -63.3 | -6.2 | 0 | 0 | 0 | 111.1 | K598 K606 | K598-D602 PolarHBondContact O-N 3.07Å; D602-K606 WeakPolarHBondContact O-CB 3.42Å; D602-K606 PolarHBondContact O-N 3.39Å |
| 603 | L | 91.9 | Very high | 80.8 | Confident | 43 Ų | 43 | 86.2 Ų | 86.2 | 23% | 0.225 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 175 | -75.9 | 170.4 | 0 | 0 | 0 | 112.8 | A568 A572 K599 K601 Q607 | A568-L603 HydrophobicContact CB-CD1 3.65Å; A572-L603 HydrophobicContact CB-CB 3.7Å; K599-L603 HydrophobicContact CG-CD1 4.25Å; K599-L603 WeakPolarHBondContact O-CB 3.38Å; K599-L603 WeakPolarHBondContact O-CG 3.13Å; K599-L603 PolarHBondContact O-N 3.39Å; K599-L603 VanDerWaalsContact O-N 3.15Å; K601-L603 VanDerWaalsContact C-N 3.29Å; K601-L603 PolarHBondContact O-N 2.74Å; L603-Q607 WeakPolarHBondContact O-CG 3.43Å; L603-Q607 PolarHBondContact O-N 3.47Å |
| 604 | A | 90.2 | Very high | 77.9 | Confident | 4 Ų | 4 | 92.2 Ų | 92.2 | 3% | 0.033 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A572 W575 N576 I600 K601 Q607 K608 | A572-A604 HydrophobicContact CB-CB 3.92Å; W575-A604 HydrophobicContact CB-CB 4.45Å; W575-A604 HydrophobicContact CG-CB 4.45Å; N576-A604 PolarHBondContact ND2-O 2.96Å; I600-A604 WeakPolarHBondContact O-CB 3.44Å; I600-A604 PolarHBondContact O-N 3.2Å; K601-A604 WeakPolarHBondContact O-CB 3.15Å; K601-A604 PolarHBondContact O-N 3.27Å; A604-Q607 PolarHBondContact O-N 3.49Å; A604-K608 PolarHBondContact O-N 3.45Å; A604-K608 VanDerWaalsContact O-N 3.1Å |
| 605 | E | 90.3 | Very high | 75.2 | Confident | 126 Ų | 126 | 89.6 Ų | 89.6 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.2 | -46.8 | 175.4 | -135.9 | 160.5 | -150.8 | 0 | 0 | 110.7 | K601 Q607 K608 E609 | K601-E605 PolarHBondContact O-N 3.39Å; E605-Q607 VanDerWaalsContact C-N 3.33Å; E605-Q607 PolarHBondContact O-N 3.13Å; E605-K608 WeakPolarHBondContact O-CB 3.31Å; E605-K608 PolarHBondContact O-N 3.46Å; E605-K608 VanDerWaalsContact O-N 3.09Å; E605-E609 PolarHBondContact O-N 3.36Å |
| 606 | K | 86.5 | Confident | 72.4 | Confident | 118 Ų | 118 | 91.8 Ų | 91.8 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 174.6 | -171.6 | 177.7 | 179 | -178.9 | 0 | 113 | D602 K608 E609 E610 | D602-K606 WeakPolarHBondContact O-CB 3.42Å; D602-K606 PolarHBondContact O-N 3.39Å; K606-K608 VanDerWaalsContact C-N 3.34Å; K606-K608 PolarHBondContact O-N 3.08Å; K606-E609 PolarHBondContact O-N 3.38Å; K606-E610 WeakPolarHBondContact CE-OE1 3.43Å; K606-E610 WeakPolarHBondContact O-CG 3.34Å; K606-E610 PolarHBondContact O-N 2.89Å; K606-E610 VanDerWaalsContact O-N 3.09Å |
| 607 | Q | 85.1 | Confident | 69.6 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 176.2 | -78.3 | -179.4 | 0.4 | 0 | 0 | 112.5 | T569 S573 L603 A604 E605 E611 | T569-Q607 VanDerWaalsContact CG2-NE2 3.34Å; T569-Q607 PolarHBondContact O-NE2 3.11Å; S573-Q607 VanDerWaalsContact CA-OE1 3.23Å; S573-Q607 PolarHBondContact OG-NE2 3.03Å; S573-Q607 VanDerWaalsContact OG-NE2 3.08Å; S573-Q607 PolarHBondContact OG-OE1 3.45Å; L603-Q607 WeakPolarHBondContact O-CG 3.43Å; L603-Q607 PolarHBondContact O-N 3.47Å; A604-Q607 PolarHBondContact O-N 3.49Å; E605-Q607 VanDerWaalsContact C-N 3.33Å; E605-Q607 PolarHBondContact O-N 3.13Å; Q607-E611 PolarHBondContact O-N 3.45Å; Q607-E611 VanDerWaalsContact O-N 3.1Å |
| 608 | K | 78.2 | Confident | 66.3 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 55% | 0.548 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.2 | -81.9 | -177.7 | 173.8 | 179.5 | 0 | 112.4 | N576 A604 E605 K606 E611 G612 | N576-K608 VanDerWaalsContact OD1-CE 3.26Å; N576-K608 WeakPolarHBondContact OD1-CE 3.44Å; A604-K608 PolarHBondContact O-N 3.45Å; A604-K608 VanDerWaalsContact O-N 3.1Å; E605-K608 WeakPolarHBondContact O-CB 3.31Å; E605-K608 PolarHBondContact O-N 3.46Å; E605-K608 VanDerWaalsContact O-N 3.09Å; K606-K608 VanDerWaalsContact C-N 3.34Å; K606-K608 PolarHBondContact O-N 3.08Å; K608-E611 PolarHBondContact O-N 3.25Å; K608-G612 PolarHBondContact O-N 3.33Å |
| 609 | E | 75.6 | Confident | 63.3 | Low | 140 Ų | 140 | 101.2 Ų | 101.2 | 65% | 0.654 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 176 | -70 | 179.4 | 173 | 0 | 0 | 111.6 | E605 K606 E611 G612 A613 | E605-E609 PolarHBondContact O-N 3.36Å; K606-E609 PolarHBondContact O-N 3.38Å; E609-E611 VanDerWaalsContact C-N 3.34Å; E609-E611 PolarHBondContact O-N 2.87Å; E609-G612 PolarHBondContact O-N 3.01Å; E609-A613 PolarHBondContact O-N 3.25Å |
| 610 | E | 68.5 | Low | 60.1 | Low | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.7 | -31.4 | 177.3 | -73 | 178.8 | -174.3 | 0 | 0 | 112.9 | K606 | K606-E610 WeakPolarHBondContact CE-OE1 3.43Å; K606-E610 WeakPolarHBondContact O-CG 3.34Å; K606-E610 PolarHBondContact O-N 2.89Å; K606-E610 VanDerWaalsContact O-N 3.09Å |
| 611 | E | 56.1 | Low | 56.7 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.7 | -36.1 | 172.5 | -83.2 | -173.1 | 150.7 | 0 | 0 | 113 | Q607 K608 E609 A613 | Q607-E611 PolarHBondContact O-N 3.45Å; Q607-E611 VanDerWaalsContact O-N 3.1Å; K608-E611 PolarHBondContact O-N 3.25Å; E609-E611 VanDerWaalsContact C-N 3.34Å; E609-E611 PolarHBondContact O-N 2.87Å; E611-A613 PolarHBondContact O-N 3.28Å |
| 612 | G | 41.9 | Very low | 53.5 | Low | 66 Ų | 66 | 114 Ų | 114 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72 | -22.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K608 E609 K614 | K608-G612 PolarHBondContact O-N 3.33Å; E609-G612 PolarHBondContact O-N 3.01Å; G612-K614 VanDerWaalsContact C-N 3.26Å; G612-K614 PolarHBondContact O-N 3.38Å |
| 613 | A | 35.2 | Very low | 50.4 | Low | 82 Ų | 82 | 114.9 Ų | 114.9 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 16.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E609 E611 | E609-A613 PolarHBondContact O-N 3.25Å; E611-A613 PolarHBondContact O-N 3.28Å |
| 614 | K | 27.8 | Very low | 47.5 | Very low | 175 Ų | 175 | 118.2 Ų | 118.2 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -85.6 | 122.9 | 170.7 | -82.4 | 178 | 179.1 | 168.3 | 0 | 110.5 | G612 Q616 | G612-K614 VanDerWaalsContact C-N 3.26Å; G612-K614 PolarHBondContact O-N 3.38Å; K614-Q616 PolarHBondContact O-N 2.85Å |
| 615 | P | 28.5 | Very low | 44.3 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -71.4 | 124.2 | -162.1 | 26 | -32.9 | 0 | 0 | 0 | 113.3 | V617 | P615-V617 PolarHBondContact O-N 3.3Š| ||
| 616 | Q | 25.5 | Very low | 41.2 | Very low | 187 Ų | 187 | 123.8 Ų | 123.8 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -71.6 | 109.1 | 163.8 | -81 | -177.3 | -32.6 | 0 | 0 | 109.5 | K614 T618 | K614-Q616 PolarHBondContact O-N 2.85Å; Q616-T618 PolarHBondContact O-N 2.92Å | ||
| 617 | V | 30.3 | Very low | 38.2 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | -76.1 | 104.7 | 179.9 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | P615 | P615-V617 PolarHBondContact O-N 3.3Š| ||
| 618 | T | 24 | Very low | 35.3 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -92.8 | 129.5 | 164.6 | 34.5 | 0 | 0 | 0 | 0 | 109.9 | Q616 S620 | Q616-T618 PolarHBondContact O-N 2.92Å; T618-S620 PolarHBondContact O-N 3.35Å | ||
| 619 | V | 26.9 | Very low | 32.8 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | trans | -69 | 118.6 | -176.6 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 620 | S | 23.3 | Very low | 31.1 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -120.8 | 137.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | T618 | T618-S620 PolarHBondContact O-N 3.35Š| ||
| 621 | K | 22.7 | Very low | 29 | Very low | 211 Ų | 211 | 134.8 Ų | 134.8 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -62.7 | 142.7 | -174.5 | -89.6 | 172.6 | 169 | 173.5 | 0 | 114.4 | ||||
| 622 | A | 22.7 | Very low | 28 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -6.2 | 134.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 623 | A | 26.7 | Very low | 27.1 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -128.1 | 141.7 | 134.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 624 | P | 31.3 | Very low | 26.5 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -113.8 | 168.7 | -168.1 | 38.8 | -27.3 | 0 | 0 | 0 | 116.2 | ||||
| 625 | V | 22.7 | Very low | 27.5 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 76.9 | 132.3 | 163.2 | -136.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 626 | V | 26.3 | Very low | 27.2 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | cis | -157.3 | 114.8 | 37.5 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 627 | Q | 23.4 | Very low | 27.1 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 44.8 | 115.4 | 110.8 | -72 | -178.8 | -13 | 0 | 0 | 118.8 | |||||
| 628 | E | 24.5 | Very low | 26.7 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | -170.4 | 97.8 | 123.4 | -110.1 | -177.5 | 160.4 | 0 | 0 | 107.9 | |||||
| 629 | A | 24 | Very low | 26.6 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | 86.9 | 131.6 | 88.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 630 | P | 40.1 | Very low | 26.4 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | trans | -94.5 | 167 | -157.6 | 38.8 | -34.3 | 0 | 0 | 0 | 111.7 | ||||
| 631 | K | 25.2 | Very low | 26.4 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -163.1 | 138.7 | 137.7 | -109.1 | 151.6 | -172.2 | -179.6 | 0 | 115.1 | ||||
| 632 | P | 33.9 | Very low | 26.3 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -88.5 | 158.1 | 172.9 | 37.9 | -32.6 | 0 | 0 | 0 | 110.4 | ||||
| 633 | S | 23.2 | Very low | 26.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -177 | 125 | 138.9 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 634 | A | 23.4 | Very low | 26 | Very low | 87 Ų | 87 | 145.2 Ų | 145.2 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | -63.8 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 635 | P | 47.9 | Very low | 25.6 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -89.2 | 145.8 | -148.6 | 35.9 | -35 | 0 | 0 | 0 | 113 | ||||
| 636 | T | 23.4 | Very low | 25.5 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -124.8 | 119.9 | 169.6 | -12.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 637 | K | 22.9 | Very low | 25.2 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -49.1 | 143.8 | 151.2 | -70.4 | 172.6 | 174.9 | 176.1 | 0 | 107.9 | ||||
| 638 | V | 21.5 | Very low | 25.2 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | 160.2 | 108.1 | 130.1 | 166.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 639 | R | 23 | Very low | 25.1 | Very low | 224 Ų | 224 | 147.3 Ų | 147.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | 20.2 | 112.8 | 135.2 | -170.9 | -177.9 | -170.3 | 173 | 3 | 116 | ||||
| 640 | I | 23 | Very low | 25.1 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -126.5 | 126.8 | 155.6 | -60.5 | -178.6 | 0 | 0 | 0 | 109.5 | ||||
| 641 | V | 22.5 | Very low | 24.3 | Very low | 107 Ų | 107 | 150 Ų | 150 | 65% | 0.648 | 81% | 0.807 | S | S | * | * | trans | -65.5 | 151.5 | 179.5 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 642 | K | 20.2 | Very low | 24.2 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -18.3 | 124 | 165.6 | -79.2 | 175.7 | 169.8 | 177.8 | 0 | 114.4 | Q644 | K642-Q644 PolarHBondContact O-N 3.39Š| ||
| 643 | P | 23.6 | Very low | 23.7 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -76.7 | 116.4 | 159.9 | 29.9 | -25.3 | 0 | 0 | 0 | 108.4 | ||||
| 644 | Q | 20 | Very low | 23.8 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 134.3 | 164.4 | -84.5 | 178 | -55.4 | 0 | 0 | 109.7 | K642 | K642-Q644 PolarHBondContact O-N 3.39Š| ||
| 645 | S | 22.2 | Very low | 23.7 | Very low | 98 Ų | 98 | 158 Ų | 158 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | 25.8 | 118.1 | 140.2 | 59.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 646 | E | 21.2 | Very low | 22.6 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | -170.5 | 103.2 | 129 | -102.9 | 166.4 | -162.1 | 0 | 0 | 106.5 | |||||
| 647 | S | 21.3 | Very low | 22.8 | Very low | 98 Ų | 98 | 158 Ų | 158 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | 100.6 | 106.1 | 87.7 | -70.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 648 | Q | 22.1 | Very low | 23.2 | Very low | 181 Ų | 181 | 155.2 Ų | 155.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 58.2 | 109.2 | 137.7 | -61.7 | 175.7 | -15.3 | 0 | 0 | 118.9 | ||||
| 649 | K | 22.1 | Very low | 23.7 | Very low | 213 Ų | 213 | 155.6 Ų | 155.6 | 93% | 0.926 | 81% | 0.811 | S | S | * | * | -153 | 124.9 | 124.4 | -109.4 | 169.6 | -172.6 | -179.7 | 0 | 110.8 | |||||
| 650 | V | 23.7 | Very low | 24.4 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -71.7 | 127 | -170.8 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | Q652 | V650-Q652 HydrophobicContact CG1-CG 4.08Š| ||
| 651 | V | 24.7 | Very low | 25.2 | Very low | 143 Ų | 143 | 146.6 Ų | 146.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -128.6 | 113.5 | 155 | 179 | 0 | 0 | 0 | 0 | 106.5 | K653 | V651-K653 PolarHBondContact O-N 3.08Š| ||
| 652 | Q | 22.8 | Very low | 26.6 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 125.8 | -173.7 | -70.8 | 167.3 | -11.6 | 0 | 0 | 110.7 | V650 | V650-Q652 HydrophobicContact CG1-CG 4.08Š|
| 653 | K | 23.3 | Very low | 29.2 | Very low | 198 Ų | 198 | 141 Ų | 141 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 135.1 | 165 | -108.7 | 179.8 | 174.9 | -178.5 | 0 | 109 | V651 K655 | V651-K653 PolarHBondContact O-N 3.08Å; K653-K655 PolarHBondContact O-N 2.95Å |
| 654 | P | 24.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 126 | 168.9 | 29.3 | -30.1 | 0 | 0 | 0 | 109.1 | ||
| 655 | K | 21.9 | Very low | 35 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 119.4 | 171.3 | -77.6 | -178 | 171.8 | -172.2 | 0 | 108.8 | K653 | K653-K655 PolarHBondContact O-N 2.95Š|
| 656 | A | 25.3 | Very low | 38.1 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -124.9 | 104.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | V658 | A656-V658 PolarHBondContact O-N 3.26Š| ||
| 657 | E | 26.1 | Very low | 41.2 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 71% | 0.706 | S | S | * | * | trans | -71.1 | 115.9 | 174.9 | -89.3 | 168.9 | 145 | 0 | 0 | 109.1 | ||||
| 658 | V | 31.5 | Very low | 44.2 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | trans | -106.7 | 107.4 | 162.4 | 178.2 | 0 | 0 | 0 | 0 | 106.2 | A656 G660 | A656-V658 PolarHBondContact O-N 3.26Å; V658-G660 PolarHBondContact O-N 2.78Å | ||
| 659 | V | 31.9 | Very low | 47.2 | Very low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 69% | 0.69 | S | S | * | * | trans | -69.4 | 96.1 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 660 | G | 37.6 | Very low | 50.4 | Low | 52 Ų | 52 | 124.1 Ų | 124.1 | 54% | 0.536 | 67% | 0.666 | S | S | . | * | trans | -133.2 | 121.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V658 T662 | V658-G660 PolarHBondContact O-N 2.78Å; G660-T662 PolarHBondContact O-N 3.49Å | ||
| 661 | K | 41.4 | Very low | 53.5 | Low | 155 Ų | 155 | 118.5 Ų | 118.5 | 67% | 0.674 | 63% | 0.632 | S | S | * | * | trans | -26.2 | 98 | -174.4 | -63.4 | 177.5 | 179 | 178.4 | 0 | 113 | E663 | K661-E663 PolarHBondContact O-N 3.29Š| ||
| 662 | T | 51.4 | Low | 56.5 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 84% | 0.84 | 61% | 0.609 | S | S | * | * | trans | -71.8 | 96.9 | 177.5 | 41.5 | 0 | 0 | 0 | 0 | 109.1 | G660 E664 | G660-T662 PolarHBondContact O-N 3.49Å; T662-E664 PolarHBondContact O-N 3.1Å | ||
| 663 | E | 75.4 | Confident | 59.7 | Low | 39 Ų | 39 | 110.2 Ų | 110.2 | 18% | 0.182 | 59% | 0.594 | C | S | . | * | trans | -73.2 | 105.5 | 168.6 | -168.2 | -169.6 | -177.5 | 0 | 0 | 107.9 | K661 Q717 G752 V753 V754 S755 | K661-E663 PolarHBondContact O-N 3.29Å; E663-Q717 WeakPolarHBondContact OE1-CB 3.38Å; E663-Q717 WeakPolarHBondContact OE1-CG 3.5Å; E663-Q717 PolarHBondContact OE1-NE2 3.3Å; E663-G752 WeakPolarHBondContact OE2-CA 3.48Å; E663-G752 PolarHBondContact OE2-N 2.91Å; E663-V753 PolarHBondContact OE2-N 3.02Å; E663-V754 HydrophobicContact CB-CG2 4.3Å; E663-V754 HydrophobicContact CG-CB 4.39Å; E663-V754 VanDerWaalsContact O-CG2 3.29Å; E663-V754 WeakPolarHBondContact O-CG2 3.41Å; E663-V754 WeakPolarHBondContact OE2-CA 3.24Å; E663-V754 WeakPolarHBondContact OE2-CB 3.47Å; E663-V754 PolarHBondContact OE2-N 3.27Å; E663-S755 PolarHBondContact OE1-OG 3.25Å; E663-S755 PolarHBondContact OE2-N 3.14Å | ||
| 664 | E | 78.3 | Confident | 62.8 | Low | 174 Ų | 174 | 104 Ų | 104 | 81% | 0.813 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 137.1 | 173.5 | -72.1 | -171.2 | 160.4 | 0 | 0 | 110 | T662 L666 Q717 | T662-E664 PolarHBondContact O-N 3.1Å; E664-L666 PolarHBondContact O-N 3.21Å; E664-Q717 PolarHBondContact O-NE2 2.83Å |
| 665 | E | 85.8 | Confident | 66 | Low | 116 Ų | 116 | 97.8 Ų | 97.8 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 116 | -177.9 | -174.4 | 169 | -164.9 | 0 | 0 | 110.3 | R721 V754 Y758 | E665-R721 IonicContact OE1-NH2 3.07Å; E665-V754 HydrophobicContact CB-CG1 4.27Å; E665-V754 HydrophobicContact CG-CG1 4.09Å; E665-Y758 WeakPolarHBondContact OE1-CE2 3.44Å; E665-Y758 PolarHBondContact OE1-OH 3.38Å |
| 666 | L | 88 | Confident | 69.2 | Low | 32 Ų | 32 | 90.8 Ų | 90.8 | 17% | 0.168 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 156.9 | 178.3 | -64.9 | 165.8 | 0 | 0 | 0 | 111.4 | E664 E670 V671 Q674 Q717 A718 R721 | E664-L666 PolarHBondContact O-N 3.21Å; L666-E670 HydrophobicContact CB-CB 4.14Å; L666-E670 HydrophobicContact CD2-CB 4.04Å; L666-V671 HydrophobicContact CB-CG2 3.94Å; L666-V671 HydrophobicContact CD1-CG2 4.41Å; L666-Q674 VanDerWaalsContact CD2-NE2 3.34Å; L666-Q717 VanDerWaalsContact CB-OE1 3.26Å; L666-Q717 HydrophobicContact CD1-CB 4.26Å; L666-Q717 VanDerWaalsContact CD1-OE1 3.32Å; L666-A718 HydrophobicContact CD1-CB 4.15Å; L666-R721 VanDerWaalsContact C-NH1 3.31Å; L666-R721 PolarHBondContact O-NH1 3.26Å; L666-R721 PolarHBondContact O-NH2 2.96Å |
| 667 | T | 86.2 | Confident | 72.1 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 163.8 | 165.5 | 62.1 | 0 | 0 | 0 | 0 | 111 | E669 E670 V671 | T667-E669 PolarHBondContact O-N 3.23Å; T667-E670 WeakPolarHBondContact CB-OE2 3.26Å; T667-E670 PolarHBondContact N-OE2 3.35Å; T667-E670 PolarHBondContact O-N 3.4Å; T667-E670 WeakPolarHBondContact OG1-CG 3.42Å; T667-E670 PolarHBondContact OG1-N 3.49Å; T667-E670 PolarHBondContact OG1-OE2 3.08Å; T667-V671 WeakPolarHBondContact O-CG2 3.42Å; T667-V671 PolarHBondContact O-N 2.97Å |
| 668 | D | 82.9 | Confident | 74.9 | Confident | 87 Ų | 87 | 86.4 Ų | 86.4 | 47% | 0.465 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | -179.4 | -71.4 | 8.4 | 0 | 0 | 0 | 112.7 | N672 R721 K725 | D668-N672 PolarHBondContact O-N 2.84Å; D668-N672 PolarHBondContact O-ND2 3.15Å; D668-R721 IonicContact OD1-NH2 3.12Å; D668-K725 IonicContact OD1-NZ 2.57Å; D668-K725 PolarHBondContact OD1-NZ 3.44Å; D668-K725 IonicContact OD2-NZ 2.67Å; D668-K725 PolarHBondContact OD2-NZ 3.47Å |
| 669 | E | 85.7 | Confident | 77.8 | Confident | 158 Ų | 158 | 80 Ų | 80 | 74% | 0.738 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -69.5 | -41.7 | 176.7 | -65.8 | 178.1 | -178.8 | 0 | 0 | 111.1 | T667 N672 S673 | T667-E669 PolarHBondContact O-N 3.23Å; E669-N672 PolarHBondContact O-N 3.2Å; E669-S673 WeakPolarHBondContact O-CB 3.42Å; E669-S673 PolarHBondContact O-N 3.14Å; E669-S673 PolarHBondContact O-OG 3.01Å |
| 670 | E | 88.7 | Confident | 80.3 | Confident | 89 Ų | 89 | 78.6 Ų | 78.6 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 175.5 | -71.1 | 164.3 | 151.3 | 0 | 0 | 112.2 | L666 T667 S673 Q674 | L666-E670 HydrophobicContact CB-CB 4.14Å; L666-E670 HydrophobicContact CD2-CB 4.04Å; T667-E670 WeakPolarHBondContact CB-OE2 3.26Å; T667-E670 PolarHBondContact N-OE2 3.35Å; T667-E670 PolarHBondContact O-N 3.4Å; T667-E670 WeakPolarHBondContact OG1-CG 3.42Å; T667-E670 PolarHBondContact OG1-N 3.49Å; T667-E670 PolarHBondContact OG1-OE2 3.08Å; E670-S673 PolarHBondContact O-N 2.9Å; E670-Q674 WeakPolarHBondContact O-CB 3.37Å; E670-Q674 WeakPolarHBondContact O-CG 3.24Å; E670-Q674 PolarHBondContact O-N 3.48Å |
| 671 | V | 90.5 | Very high | 82.7 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.2 | -51.5 | 174.4 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | L666 T667 S673 Q674 V675 A718 R721 | L666-V671 HydrophobicContact CB-CG2 3.94Å; L666-V671 HydrophobicContact CD1-CG2 4.41Å; T667-V671 WeakPolarHBondContact O-CG2 3.42Å; T667-V671 PolarHBondContact O-N 2.97Å; V671-S673 VanDerWaalsContact C-N 3.31Å; V671-S673 PolarHBondContact O-N 3.03Å; V671-Q674 PolarHBondContact O-N 3.27Å; V671-V675 WeakPolarHBondContact O-CB 2.97Å; V671-V675 VanDerWaalsContact O-CG2 3.3Å; V671-V675 WeakPolarHBondContact O-CG2 3.15Å; V671-V675 PolarHBondContact O-N 3.25Å; V671-A718 HydrophobicContact CG1-CB 4.34Å; V671-A718 WeakPolarHBondContact CG1-O 3.35Å; V671-R721 HydrophobicContact CG1-CB 4.27Å; V671-R721 HydrophobicContact CG2-CB 4.21Å |
| 672 | N | 88 | Confident | 84.9 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 39% | 0.39 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.2 | -69.2 | -36.5 | 0 | 0 | 0 | 110.8 | D668 E669 Q674 V675 S676 | D668-N672 PolarHBondContact O-N 2.84Å; D668-N672 PolarHBondContact O-ND2 3.15Å; E669-N672 PolarHBondContact O-N 3.2Å; N672-Q674 PolarHBondContact O-N 3.27Å; N672-V675 PolarHBondContact O-N 3.28Å; N672-S676 WeakPolarHBondContact O-CB 3.46Å; N672-S676 PolarHBondContact O-N 3.32Å; N672-S676 PolarHBondContact O-OG 3.25Å |
| 673 | S | 88.3 | Confident | 86.7 | Confident | 71 Ų | 71 | 71.1 Ų | 71.1 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 178.5 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | E669 E670 V671 I677 | E669-S673 WeakPolarHBondContact O-CB 3.42Å; E669-S673 PolarHBondContact O-N 3.14Å; E669-S673 PolarHBondContact O-OG 3.01Å; E670-S673 PolarHBondContact O-N 2.9Å; V671-S673 VanDerWaalsContact C-N 3.31Å; V671-S673 PolarHBondContact O-N 3.03Å; S673-I677 WeakPolarHBondContact O-CD1 3.26Å; S673-I677 VanDerWaalsContact O-CG1 3.26Å; S673-I677 WeakPolarHBondContact O-CG1 3.41Å; S673-I677 PolarHBondContact O-N 2.85Å |
| 674 | Q | 89.7 | Confident | 87.4 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.9 | -32.1 | 179 | -73.1 | -173.2 | 21.6 | 0 | 0 | 113.1 | L666 E670 V671 N672 P715 A718 | L666-Q674 VanDerWaalsContact CD2-NE2 3.34Å; E670-Q674 WeakPolarHBondContact O-CB 3.37Å; E670-Q674 WeakPolarHBondContact O-CG 3.24Å; E670-Q674 PolarHBondContact O-N 3.48Å; V671-Q674 PolarHBondContact O-N 3.27Å; N672-Q674 PolarHBondContact O-N 3.27Å; Q674-P715 HydrophobicContact CB-CB 4.08Å; Q674-A718 HydrophobicContact CB-CB 3.73Å |
| 675 | V | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.4 | -43.8 | 176.1 | 174 | 0 | 0 | 0 | 0 | 111.1 | V671 N672 I677 V678 I679 L684 A718 L719 Y722 | V671-V675 WeakPolarHBondContact O-CB 2.97Å; V671-V675 VanDerWaalsContact O-CG2 3.3Å; V671-V675 WeakPolarHBondContact O-CG2 3.15Å; V671-V675 PolarHBondContact O-N 3.25Å; N672-V675 PolarHBondContact O-N 3.28Å; V675-I677 PolarHBondContact O-N 3.3Å; V675-V678 PolarHBondContact O-N 2.86Å; V675-I679 HydrophobicContact CG1-CB 4.36Å; V675-I679 HydrophobicContact CG1-CD1 3.98Å; V675-I679 HydrophobicContact CG1-CG1 4.4Å; V675-I679 PolarHBondContact O-N 3.18Å; V675-L684 HydrophobicContact CG1-CD1 3.96Å; V675-L684 HydrophobicContact CG1-CD2 3.79Å; V675-A718 HydrophobicContact CG2-CB 3.81Å; V675-L719 HydrophobicContact CG1-CD2 4.43Å; V675-L719 HydrophobicContact CG2-CD2 4.22Å; V675-Y722 HydrophobicContact CB-CD2 4.05Å; V675-Y722 HydrophobicContact CB-CG 4.43Å; V675-Y722 HydrophobicContact CG1-CD1 4.39Å; V675-Y722 HydrophobicContact CG1-CD2 3.85Å; V675-Y722 HydrophobicContact CG1-CE2 4.09Å; V675-Y722 HydrophobicContact CG1-CG 4.03Å; V675-Y722 HydrophobicContact CG2-CD2 4.09Å; V675-Y722 HydrophobicContact CG2-CG 4.11Å |
| 676 | S | 88.1 | Confident | 87.8 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.9 | -21.8 | 177.4 | -68.3 | 0 | 0 | 0 | 0 | 113.8 | N672 V678 I679 D681 | N672-S676 WeakPolarHBondContact O-CB 3.46Å; N672-S676 PolarHBondContact O-N 3.32Å; N672-S676 PolarHBondContact O-OG 3.25Å; S676-V678 PolarHBondContact O-N 3.2Å; S676-I679 WeakPolarHBondContact CA-O 3.3Å; S676-D681 VanDerWaalsContact CB-OD1 3.28Å; S676-D681 WeakPolarHBondContact CB-OD1 3.41Å; S676-D681 PolarHBondContact OG-OD1 3.32Å |
| 677 | I | 86.6 | Confident | 88 | Confident | 141 Ų | 141 | 63.4 Ų | 63.4 | 72% | 0.723 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.7 | 172.3 | -71.6 | 165.8 | 0 | 0 | 0 | 111.7 | S673 V675 | S673-I677 WeakPolarHBondContact O-CD1 3.26Å; S673-I677 VanDerWaalsContact O-CG1 3.26Å; S673-I677 WeakPolarHBondContact O-CG1 3.41Å; S673-I677 PolarHBondContact O-N 2.85Å; V675-I677 PolarHBondContact O-N 3.3Å |
| 678 | V | 86 | Confident | 88 | Confident | 33 Ų | 33 | 64 Ų | 64 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -29.3 | -167.5 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | V675 S676 L709 P715 | V675-V678 PolarHBondContact O-N 2.86Å; S676-V678 PolarHBondContact O-N 3.2Å; V678-L709 HydrophobicContact CG1-CD1 3.04Å; V678-L709 HydrophobicContact CG1-CD2 4.3Å; V678-L709 HydrophobicContact CG1-CG 4.27Å; V678-P715 HydrophobicContact CB-CG 4.31Å; V678-P715 HydrophobicContact CG2-CG 3.72Å |
| 679 | I | 90.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -121.4 | 127.1 | 178.5 | -56 | 178.4 | 0 | 0 | 0 | 107.6 | V675 S676 D681 L683 L684 I702 V706 L719 | V675-I679 HydrophobicContact CG1-CB 4.36Å; V675-I679 HydrophobicContact CG1-CD1 3.98Å; V675-I679 HydrophobicContact CG1-CG1 4.4Å; V675-I679 PolarHBondContact O-N 3.18Å; S676-I679 WeakPolarHBondContact CA-O 3.3Å; I679-D681 PolarHBondContact O-N 3.5Å; I679-L683 HydrophobicContact CG2-CB 4.16Å; I679-L683 HydrophobicContact CG2-CD2 4.06Å; I679-L683 HydrophobicContact CG2-CG 4.43Å; I679-L684 HydrophobicContact CB-CD2 3.83Å; I679-L684 HydrophobicContact CB-CG 4.24Å; I679-L684 HydrophobicContact CD1-CD2 4.24Å; I679-L684 HydrophobicContact CG2-CD2 3.45Å; I679-L684 VanDerWaalsContact CG2-CD2 3.45Å; I679-L684 HydrophobicContact CG2-CG 3.85Å; I679-I702 HydrophobicContact CD1-CB 4.44Å; I679-I702 HydrophobicContact CD1-CD1 4.46Å; I679-I702 HydrophobicContact CD1-CG1 4.24Å; I679-I702 HydrophobicContact CD1-CG2 3.44Å; I679-I702 VanDerWaalsContact CD1-CG2 3.44Å; I679-I702 HydrophobicContact CG1-CG2 4.41Å; I679-I702 HydrophobicContact CG2-CD1 4.27Å; I679-I702 HydrophobicContact CG2-CG1 3.9Å; I679-V706 HydrophobicContact CD1-CG2 4.4Å; I679-L719 HydrophobicContact CD1-CD2 3.6Å; I679-L719 HydrophobicContact CG1-CD2 4.4Å |
| 680 | D | 86.4 | Confident | 88 | Confident | 104 Ų | 104 | 60 Ų | 60 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | trans | -56.7 | 134.8 | 178.6 | -173.7 | -84.4 | 0 | 0 | 0 | 112.2 | S682 L683 L684 | D680-S682 PolarHBondContact O-N 2.68Å; D680-S682 VanDerWaalsContact O-N 3.16Å; D680-S682 WeakPolarHBondContact OD1-CA 3.25Å; D680-S682 WeakPolarHBondContact OD1-CB 3.37Å; D680-S682 PolarHBondContact OD1-N 3.03Å; D680-S682 PolarHBondContact OD1-OG 3.28Å; D680-L683 WeakPolarHBondContact O-CA 3.31Å; D680-L683 WeakPolarHBondContact O-CB 3.28Å; D680-L683 PolarHBondContact O-N 3.45Å; D680-L684 PolarHBondContact O-N 3.39Å; D680-L684 VanDerWaalsContact O-N 3.11Å | ||
| 681 | D | 88 | Confident | 87.9 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.6 | -29.1 | -177.3 | -83.1 | -21.3 | 0 | 0 | 0 | 112.9 | S676 I679 L683 L684 Q685 | S676-D681 VanDerWaalsContact CB-OD1 3.28Å; S676-D681 WeakPolarHBondContact CB-OD1 3.41Å; S676-D681 PolarHBondContact OG-OD1 3.32Å; I679-D681 PolarHBondContact O-N 3.5Å; D681-L683 VanDerWaalsContact C-N 3.32Å; D681-L684 PolarHBondContact O-N 3.29Å; D681-Q685 VanDerWaalsContact O-CG 3.31Å; D681-Q685 WeakPolarHBondContact O-CG 3.49Å; D681-Q685 PolarHBondContact O-N 2.82Å |
| 682 | S | 86.6 | Confident | 87.8 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 56% | 0.559 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.4 | -35 | 175 | 73.4 | 0 | 0 | 0 | 0 | 112 | D680 Q685 S686 | D680-S682 PolarHBondContact O-N 2.68Å; D680-S682 VanDerWaalsContact O-N 3.16Å; D680-S682 WeakPolarHBondContact OD1-CA 3.25Å; D680-S682 WeakPolarHBondContact OD1-CB 3.37Å; D680-S682 PolarHBondContact OD1-N 3.03Å; D680-S682 PolarHBondContact OD1-OG 3.28Å; S682-Q685 PolarHBondContact O-N 2.77Å; S682-S686 WeakPolarHBondContact O-CB 3.48Å; S682-S686 PolarHBondContact O-N 2.95Å |
| 683 | L | 88.2 | Confident | 87.9 | Confident | 19 Ų | 19 | 67.8 Ų | 67.8 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.6 | -36.9 | 177.4 | -163.1 | 63.2 | 0 | 0 | 0 | 111 | I679 D680 D681 S686 Y687 A698 Q701 I702 | I679-L683 HydrophobicContact CG2-CB 4.16Å; I679-L683 HydrophobicContact CG2-CD2 4.06Å; I679-L683 HydrophobicContact CG2-CG 4.43Å; D680-L683 WeakPolarHBondContact O-CA 3.31Å; D680-L683 WeakPolarHBondContact O-CB 3.28Å; D680-L683 PolarHBondContact O-N 3.45Å; D681-L683 VanDerWaalsContact C-N 3.32Å; L683-S686 WeakPolarHBondContact O-CB 3.48Å; L683-S686 PolarHBondContact O-N 2.7Å; L683-Y687 PolarHBondContact O-N 2.83Å; L683-A698 HydrophobicContact CD1-CB 4.12Å; L683-Q701 HydrophobicContact CD1-CB 3.97Å; L683-Q701 HydrophobicContact CD2-CB 3.96Å; L683-I702 HydrophobicContact CD2-CB 4.48Å; L683-I702 HydrophobicContact CD2-CD1 4.46Å; L683-I702 HydrophobicContact CD2-CG1 3.47Å; L683-I702 VanDerWaalsContact CD2-CG1 3.47Å; L683-I702 HydrophobicContact CG-CD1 4.31Å; L683-I702 HydrophobicContact CG-CG1 3.82Å |
| 684 | L | 90.7 | Very high | 88.1 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 172.1 | -63.7 | -176.3 | 0 | 0 | 0 | 111.7 | V675 I679 D680 D681 S686 Y687 D688 Y722 | V675-L684 HydrophobicContact CG1-CD1 3.96Å; V675-L684 HydrophobicContact CG1-CD2 3.79Å; I679-L684 HydrophobicContact CB-CD2 3.83Å; I679-L684 HydrophobicContact CB-CG 4.24Å; I679-L684 HydrophobicContact CD1-CD2 4.24Å; I679-L684 HydrophobicContact CG2-CD2 3.45Å; I679-L684 VanDerWaalsContact CG2-CD2 3.45Å; I679-L684 HydrophobicContact CG2-CG 3.85Å; D680-L684 PolarHBondContact O-N 3.39Å; D680-L684 VanDerWaalsContact O-N 3.11Å; D681-L684 PolarHBondContact O-N 3.29Å; L684-S686 VanDerWaalsContact C-N 3.32Å; L684-S686 PolarHBondContact O-N 3.35Å; L684-Y687 PolarHBondContact O-N 3.16Å; L684-D688 PolarHBondContact O-N 2.85Å; L684-Y722 WeakPolarHBondContact CB-OH 3.39Å; L684-Y722 HydrophobicContact CD1-CE2 4.34Å; L684-Y722 HydrophobicContact CD2-CE1 3.8Å; L684-Y722 HydrophobicContact CD2-CE2 4.22Å; L684-Y722 WeakPolarHBondContact CD2-OH 3.3Å |
| 685 | Q | 87.2 | Confident | 88.3 | Confident | 145 Ų | 145 | 66.2 Ų | 66.2 | 68% | 0.678 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 173.3 | -73.2 | 175.1 | 20.7 | 0 | 0 | 112.3 | D681 S682 Y687 D688 S689 | D681-Q685 VanDerWaalsContact O-CG 3.31Å; D681-Q685 WeakPolarHBondContact O-CG 3.49Å; D681-Q685 PolarHBondContact O-N 2.82Å; S682-Q685 PolarHBondContact O-N 2.77Å; Q685-Y687 VanDerWaalsContact C-N 3.34Å; Q685-D688 CarbonylContact O-C 3.58Å; Q685-D688 PolarHBondContact O-N 3.35Å; Q685-D688 VanDerWaalsContact O-N 3.13Å; Q685-S689 PolarHBondContact O-N 3.34Å |
| 686 | S | 85.9 | Confident | 88.4 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 174.4 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | S682 L683 L684 D688 S689 | S682-S686 WeakPolarHBondContact O-CB 3.48Å; S682-S686 PolarHBondContact O-N 2.95Å; L683-S686 WeakPolarHBondContact O-CB 3.48Å; L683-S686 PolarHBondContact O-N 2.7Å; L684-S686 VanDerWaalsContact C-N 3.32Å; L684-S686 PolarHBondContact O-N 3.35Å; S686-D688 VanDerWaalsContact C-N 3.27Å; S686-D688 PolarHBondContact O-N 3.16Å; S686-S689 WeakPolarHBondContact O-CB 3.46Å; S686-S689 PolarHBondContact O-N 3.16Å; S686-S689 VanDerWaalsContact O-N 3.14Å |
| 687 | Y | 92 | Very high | 88.7 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -24.5 | 172.7 | -171.4 | -105.2 | 0 | 0 | 0 | 113.2 | L683 L684 Q685 S689 R695 L699 Y722 F723 R726 I733 | L683-Y687 PolarHBondContact O-N 2.83Å; L684-Y687 PolarHBondContact O-N 3.16Å; Q685-Y687 VanDerWaalsContact C-N 3.34Å; Y687-S689 VanDerWaalsContact C-N 3.28Å; Y687-R695 HydrophobicContact CD2-CB 4.18Å; Y687-R695 WeakPolarHBondContact CD2-O 3.48Å; Y687-R695 HydrophobicContact CE2-CB 4.43Å; Y687-R695 WeakPolarHBondContact O-CD 3.32Å; Y687-R695 WeakPolarHBondContact O-CG 3.41Å; Y687-L699 HydrophobicContact CD2-CB 4.03Å; Y687-L699 HydrophobicContact CE2-CB 3.87Å; Y687-L699 HydrophobicContact CE2-CD1 4.17Å; Y687-L699 HydrophobicContact CE2-CD2 4.17Å; Y687-L699 HydrophobicContact CE2-CG 4.29Å; Y687-Y722 HydrophobicContact CD1-CE1 4.29Å; Y687-F723 HydrophobicContact CD1-CD1 4.37Å; Y687-F723 AromaticContact CD1-CE1 3.92Å; Y687-F723 HydrophobicContact CD1-CE1 3.92Å; Y687-F723 HydrophobicContact CD2-CE1 4.45Å; Y687-F723 AromaticContact CE1-CD1 3.61Å; Y687-F723 HydrophobicContact CE1-CD1 3.61Å; Y687-F723 AromaticContact CE1-CE1 3.59Å; Y687-F723 HydrophobicContact CE1-CE1 3.59Å; Y687-F723 HydrophobicContact CE2-CE1 4.18Å; Y687-F723 HydrophobicContact CG-CE1 4.34Å; Y687-F723 AromaticContact CZ-CD1 3.7Å; Y687-F723 AromaticContact CZ-CE1 3.74Å; Y687-R726 HydrophobicContact CE1-CB 4.05Å; Y687-R726 HydrophobicContact CE1-CG 4.46Å; Y687-I733 HydrophobicContact CE2-CG2 4.16Å |
| 688 | D | 87 | Confident | 89 | Confident | 86 Ų | 86 | 60.4 Ų | 60.4 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.5 | 172.7 | -74.3 | -27.9 | 0 | 0 | 0 | 113.4 | L684 Q685 S686 R726 | L684-D688 PolarHBondContact O-N 2.85Å; Q685-D688 CarbonylContact O-C 3.58Å; Q685-D688 PolarHBondContact O-N 3.35Å; Q685-D688 VanDerWaalsContact O-N 3.13Å; S686-D688 VanDerWaalsContact C-N 3.27Å; S686-D688 PolarHBondContact O-N 3.16Å; D688-R726 WeakPolarHBondContact OD1-CD 3.44Å; D688-R726 IonicContact OD1-CZ 3.25Å; D688-R726 IonicContact OD1-NE 3.92Å; D688-R726 PolarHBondContact OD1-NE 2.82Å; D688-R726 IonicContact OD1-NH2 2.98Å; D688-R726 IonicContact OD2-CZ 2.84Å; D688-R726 IonicContact OD2-NE 3.05Å; D688-R726 IonicContact OD2-NH2 3.94Å; D688-R726 PolarHBondContact OD2-NH2 3.02Å |
| 689 | S | 87.1 | Confident | 89.5 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | trans | -60.2 | 139.7 | 175.9 | 180 | 0 | 0 | 0 | 0 | 112.2 | Q685 S686 Y687 I691 D694 R695 | Q685-S689 PolarHBondContact O-N 3.34Å; S686-S689 WeakPolarHBondContact O-CB 3.46Å; S686-S689 PolarHBondContact O-N 3.16Å; S686-S689 VanDerWaalsContact O-N 3.14Å; Y687-S689 VanDerWaalsContact C-N 3.28Å; S689-I691 PolarHBondContact O-N 3.34Å; S689-I691 PolarHBondContact OG-N 3.1Å; S689-I691 VanDerWaalsContact OG-N 3.1Å; S689-D694 PolarHBondContact OG-OD2 3.19Å; S689-D694 VanDerWaalsContact OG-OD2 3.11Å; S689-R695 WeakPolarHBondContact O-CD 3.35Å; S689-R695 WeakPolarHBondContact O-CG 3.44Å; S689-R695 PolarHBondContact O-NH1 3.38Å | ||
| 690 | T | 81.6 | Confident | 89.7 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 84% | 0.84 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -65.7 | -20.7 | 171.3 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | R695 | T690-R695 PolarHBondContact O-NH1 3.15Å; T690-R695 VanDerWaalsContact O-NH1 3.11Å |
| 691 | I | 85 | Confident | 90.1 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -86.1 | 113.9 | 179.4 | -56 | 173.1 | 0 | 0 | 0 | 109.5 | S689 K693 D694 R695 | S689-I691 PolarHBondContact O-N 3.34Å; S689-I691 PolarHBondContact OG-N 3.1Å; S689-I691 VanDerWaalsContact OG-N 3.1Å; I691-K693 VanDerWaalsContact C-N 3.26Å; I691-K693 HydrophobicContact CG2-CB 4.41Å; I691-K693 PolarHBondContact O-N 3.33Å; I691-D694 HydrophobicContact CB-CB 4.45Å; I691-D694 WeakPolarHBondContact CB-OD2 3.49Å; I691-D694 WeakPolarHBondContact O-CB 3.35Å; I691-D694 PolarHBondContact O-N 3.43Å; I691-D694 VanDerWaalsContact O-N 3.15Å; I691-R695 PolarHBondContact O-N 2.94Å |
| 692 | W | 88.9 | Confident | 90.3 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 38% | 0.379 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -26 | -174.4 | 72.7 | -91 | 0 | 0 | 0 | 114.8 | D694 R695 L696 N730 I733 | W692-D694 VanDerWaalsContact C-N 3.35Å; W692-R695 PolarHBondContact O-N 3.27Å; W692-L696 HydrophobicContact CE3-CB 4.46Å; W692-L696 HydrophobicContact CZ3-CD2 3.92Å; W692-L696 WeakPolarHBondContact O-CB 3.21Å; W692-L696 PolarHBondContact O-N 3.49Å; W692-N730 WeakPolarHBondContact CZ3-ND2 3.29Å; W692-I733 HydrophobicContact CB-CD1 4.32Å; W692-I733 WeakPolarHBondContact O-CD1 3.32Å |
| 693 | K | 90.9 | Very high | 90.7 | Very high | 135 Ų | 135 | 56.1 Ų | 56.1 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.8 | -37.9 | 177.3 | -69.5 | -173.9 | 179.1 | -179 | 0 | 111.6 | I691 R695 L696 A697 | I691-K693 VanDerWaalsContact C-N 3.26Å; I691-K693 HydrophobicContact CG2-CB 4.41Å; I691-K693 PolarHBondContact O-N 3.33Å; K693-R695 VanDerWaalsContact C-N 3.34Å; K693-L696 PolarHBondContact O-N 2.98Å; K693-A697 WeakPolarHBondContact O-CB 3.36Å; K693-A697 PolarHBondContact O-N 3.01Å |
| 694 | D | 91.5 | Very high | 90.8 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 175.4 | -54.9 | -8.2 | 0 | 0 | 0 | 108.9 | S689 I691 W692 L696 A697 A698 | S689-D694 PolarHBondContact OG-OD2 3.19Å; S689-D694 VanDerWaalsContact OG-OD2 3.11Å; I691-D694 HydrophobicContact CB-CB 4.45Å; I691-D694 WeakPolarHBondContact CB-OD2 3.49Å; I691-D694 WeakPolarHBondContact O-CB 3.35Å; I691-D694 PolarHBondContact O-N 3.43Å; I691-D694 VanDerWaalsContact O-N 3.15Å; W692-D694 VanDerWaalsContact C-N 3.35Å; D694-L696 VanDerWaalsContact C-N 3.35Å; D694-L696 PolarHBondContact O-N 3.32Å; D694-A697 PolarHBondContact O-N 3.5Å; D694-A698 WeakPolarHBondContact O-CB 3.39Å; D694-A698 PolarHBondContact O-N 3.01Å |
| 695 | R | 94.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -39.9 | 174.1 | -58.4 | -158.5 | -61 | -78.5 | 1.1 | 113.7 | Y687 S689 T690 I691 W692 K693 L699 E728 I733 | Y687-R695 HydrophobicContact CD2-CB 4.18Å; Y687-R695 WeakPolarHBondContact CD2-O 3.48Å; Y687-R695 HydrophobicContact CE2-CB 4.43Å; Y687-R695 WeakPolarHBondContact O-CD 3.32Å; Y687-R695 WeakPolarHBondContact O-CG 3.41Å; S689-R695 WeakPolarHBondContact O-CD 3.35Å; S689-R695 WeakPolarHBondContact O-CG 3.44Å; S689-R695 PolarHBondContact O-NH1 3.38Å; T690-R695 PolarHBondContact O-NH1 3.15Å; T690-R695 VanDerWaalsContact O-NH1 3.11Å; I691-R695 PolarHBondContact O-N 2.94Å; W692-R695 PolarHBondContact O-N 3.27Å; K693-R695 VanDerWaalsContact C-N 3.34Å; R695-L699 WeakPolarHBondContact O-CB 3.38Å; R695-L699 PolarHBondContact O-N 3.06Å; R695-E728 IonicContact CZ-OE2 2.86Å; R695-E728 IonicContact NE-OE2 3.17Å; R695-E728 PolarHBondContact NE-OE2 3.2Å; R695-E728 IonicContact NH2-OE1 3.09Å; R695-E728 PolarHBondContact NH2-OE1 3.24Å; R695-E728 IonicContact NH2-OE2 3.97Å; R695-E728 PolarHBondContact NH2-OE2 3Å; R695-I733 HydrophobicContact CB-CD1 3.97Å |
| 696 | L | 93.7 | Very high | 91 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.5 | -52.1 | 177 | 177.7 | 63.4 | 0 | 0 | 0 | 110.5 | W692 K693 D694 A698 L699 E700 Q732 I733 L736 | W692-L696 HydrophobicContact CE3-CB 4.46Å; W692-L696 HydrophobicContact CZ3-CD2 3.92Å; W692-L696 WeakPolarHBondContact O-CB 3.21Å; W692-L696 PolarHBondContact O-N 3.49Å; K693-L696 PolarHBondContact O-N 2.98Å; D694-L696 VanDerWaalsContact C-N 3.35Å; D694-L696 PolarHBondContact O-N 3.32Å; L696-A698 VanDerWaalsContact C-N 3.29Å; L696-A698 PolarHBondContact O-N 2.68Å; L696-L699 PolarHBondContact O-N 2.96Å; L696-E700 HydrophobicContact CD1-CG 4.43Å; L696-E700 WeakPolarHBondContact O-CG 3.34Å; L696-E700 PolarHBondContact O-N 2.97Å; L696-Q732 HydrophobicContact CD1-CB 4.17Å; L696-I733 HydrophobicContact CB-CD1 4.11Å; L696-I733 HydrophobicContact CB-CG1 3.87Å; L696-I733 HydrophobicContact CD1-CG1 3.82Å; L696-I733 HydrophobicContact CG-CG1 4.43Å; L696-L736 HydrophobicContact CD1-CD1 3.51Å |
| 697 | A | 93.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K693 D694 E700 Q701 | K693-A697 WeakPolarHBondContact O-CB 3.36Å; K693-A697 PolarHBondContact O-N 3.01Å; D694-A697 PolarHBondContact O-N 3.5Å; A697-E700 PolarHBondContact O-N 3.44Å; A697-Q701 WeakPolarHBondContact O-CG 3.48Å; A697-Q701 PolarHBondContact O-N 3.27Å |
| 698 | A | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L683 D694 L696 E700 Q701 I702 | L683-A698 HydrophobicContact CD1-CB 4.12Å; D694-A698 WeakPolarHBondContact O-CB 3.39Å; D694-A698 PolarHBondContact O-N 3.01Å; L696-A698 VanDerWaalsContact C-N 3.29Å; L696-A698 PolarHBondContact O-N 2.68Å; A698-E700 PolarHBondContact O-N 3.28Å; A698-Q701 PolarHBondContact O-N 3.36Å; A698-I702 VanDerWaalsContact O-CG1 3.23Å; A698-I702 WeakPolarHBondContact O-CG1 3.32Å; A698-I702 PolarHBondContact O-N 3.37Å |
| 699 | L | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 179.3 | -172.5 | 60.2 | 0 | 0 | 0 | 112.5 | Y687 R695 L696 Q701 I702 V703 F723 I733 L736 K737 | Y687-L699 HydrophobicContact CD2-CB 4.03Å; Y687-L699 HydrophobicContact CE2-CB 3.87Å; Y687-L699 HydrophobicContact CE2-CD1 4.17Å; Y687-L699 HydrophobicContact CE2-CD2 4.17Å; Y687-L699 HydrophobicContact CE2-CG 4.29Å; R695-L699 WeakPolarHBondContact O-CB 3.38Å; R695-L699 PolarHBondContact O-N 3.06Å; L696-L699 PolarHBondContact O-N 2.96Å; L699-Q701 VanDerWaalsContact C-N 3.32Å; L699-Q701 PolarHBondContact O-N 3.16Å; L699-I702 PolarHBondContact O-N 3.38Å; L699-V703 HydrophobicContact CD1-CG2 4.38Å; L699-V703 HydrophobicContact CG-CG2 4.41Å; L699-V703 VanDerWaalsContact O-CG2 3.31Å; L699-V703 WeakPolarHBondContact O-CG2 3.43Å; L699-V703 PolarHBondContact O-N 3.26Å; L699-F723 HydrophobicContact CD1-CD1 4.19Å; L699-F723 HydrophobicContact CD1-CE1 3.6Å; L699-F723 HydrophobicContact CD1-CZ 3.92Å; L699-I733 HydrophobicContact CD2-CG2 3.5Å; L699-I733 VanDerWaalsContact CD2-CG2 3.5Å; L699-I733 WeakPolarHBondContact CD2-O 3.21Å; L699-L736 HydrophobicContact CD2-CB 3.76Å; L699-L736 HydrophobicContact CG-CB 4.18Å; L699-K737 HydrophobicContact CD2-CB 4.35Å |
| 700 | E | 95.6 | Very high | 90.7 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 173.4 | -73.7 | 171.9 | 171.8 | 0 | 0 | 111.3 | L696 A697 A698 T704 L736 | L696-E700 HydrophobicContact CD1-CG 4.43Å; L696-E700 WeakPolarHBondContact O-CG 3.34Å; L696-E700 PolarHBondContact O-N 2.97Å; A697-E700 PolarHBondContact O-N 3.44Å; A698-E700 PolarHBondContact O-N 3.28Å; E700-T704 WeakPolarHBondContact O-CB 3.43Å; E700-T704 PolarHBondContact O-N 3Å; E700-T704 VanDerWaalsContact O-N 3.07Å; E700-T704 PolarHBondContact O-OG1 3.45Å; E700-L736 HydrophobicContact CG-CD1 3.51Å |
| 701 | Q | 93.2 | Very high | 90.7 | Very high | 113 Ų | 113 | 59.2 Ų | 59.2 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 175.1 | -72.9 | -179 | 18.1 | 0 | 0 | 112.1 | L683 A697 A698 L699 T704 T705 | L683-Q701 HydrophobicContact CD1-CB 3.97Å; L683-Q701 HydrophobicContact CD2-CB 3.96Å; A697-Q701 WeakPolarHBondContact O-CG 3.48Å; A697-Q701 PolarHBondContact O-N 3.27Å; A698-Q701 PolarHBondContact O-N 3.36Å; L699-Q701 VanDerWaalsContact C-N 3.32Å; L699-Q701 PolarHBondContact O-N 3.16Å; Q701-T704 PolarHBondContact O-N 2.95Å; Q701-T705 WeakPolarHBondContact O-CB 3.12Å; Q701-T705 PolarHBondContact O-N 2.79Å; Q701-T705 PolarHBondContact O-OG1 2.88Å |
| 702 | I | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 175.8 | -70.1 | 168.2 | 0 | 0 | 0 | 110.6 | I679 L683 A698 L699 T704 T705 V706 F723 | I679-I702 HydrophobicContact CD1-CB 4.44Å; I679-I702 HydrophobicContact CD1-CD1 4.46Å; I679-I702 HydrophobicContact CD1-CG1 4.24Å; I679-I702 HydrophobicContact CD1-CG2 3.44Å; I679-I702 VanDerWaalsContact CD1-CG2 3.44Å; I679-I702 HydrophobicContact CG1-CG2 4.41Å; I679-I702 HydrophobicContact CG2-CD1 4.27Å; I679-I702 HydrophobicContact CG2-CG1 3.9Å; L683-I702 HydrophobicContact CD2-CB 4.48Å; L683-I702 HydrophobicContact CD2-CD1 4.46Å; L683-I702 HydrophobicContact CD2-CG1 3.47Å; L683-I702 VanDerWaalsContact CD2-CG1 3.47Å; L683-I702 HydrophobicContact CG-CD1 4.31Å; L683-I702 HydrophobicContact CG-CG1 3.82Å; A698-I702 VanDerWaalsContact O-CG1 3.23Å; A698-I702 WeakPolarHBondContact O-CG1 3.32Å; A698-I702 PolarHBondContact O-N 3.37Å; L699-I702 PolarHBondContact O-N 3.38Å; I702-T704 PolarHBondContact O-N 3Å; I702-T705 WeakPolarHBondContact O-CB 3.41Å; I702-T705 PolarHBondContact O-N 3.16Å; I702-T705 VanDerWaalsContact O-N 3.12Å; I702-V706 HydrophobicContact CG2-CG2 3.96Å; I702-V706 WeakPolarHBondContact O-CB 3.37Å; I702-V706 VanDerWaalsContact O-CG2 3.28Å; I702-V706 WeakPolarHBondContact O-CG2 3.09Å; I702-V706 PolarHBondContact O-N 3.42Å; I702-F723 HydrophobicContact CD1-CE1 4.3Å; I702-F723 HydrophobicContact CD1-CZ 3.9Å; I702-F723 HydrophobicContact CG2-CE2 4.17Å; I702-F723 HydrophobicContact CG2-CZ 3.78Å |
| 703 | V | 93.6 | Very high | 90 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 178.4 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L699 K707 L740 | L699-V703 HydrophobicContact CD1-CG2 4.38Å; L699-V703 HydrophobicContact CG-CG2 4.41Å; L699-V703 VanDerWaalsContact O-CG2 3.31Å; L699-V703 WeakPolarHBondContact O-CG2 3.43Å; L699-V703 PolarHBondContact O-N 3.26Å; V703-K707 HydrophobicContact CG1-CD 4.08Å; V703-K707 WeakPolarHBondContact O-CB 3.44Å; V703-K707 VanDerWaalsContact O-CG 3.29Å; V703-K707 WeakPolarHBondContact O-CG 3.43Å; V703-K707 PolarHBondContact O-N 3.5Å; V703-L740 HydrophobicContact CG2-CB 4.14Å; V703-L740 HydrophobicContact CG2-CD1 4.36Å |
| 704 | T | 91.4 | Very high | 89.8 | Confident | 100 Ų | 100 | 57.9 Ų | 57.9 | 61% | 0.613 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 176.1 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | E700 Q701 I702 K707 G708 | E700-T704 WeakPolarHBondContact O-CB 3.43Å; E700-T704 PolarHBondContact O-N 3Å; E700-T704 VanDerWaalsContact O-N 3.07Å; E700-T704 PolarHBondContact O-OG1 3.45Å; Q701-T704 PolarHBondContact O-N 2.95Å; I702-T704 PolarHBondContact O-N 3Å; T704-K707 PolarHBondContact O-N 3.38Å; T704-G708 PolarHBondContact O-N 2.99Å; T704-G708 VanDerWaalsContact O-N 3.15Å |
| 705 | T | 90.2 | Very high | 89.7 | Confident | 57 Ų | 57 | 55.8 Ų | 55.8 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -50.6 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | Q701 I702 K707 G708 L709 | Q701-T705 WeakPolarHBondContact O-CB 3.12Å; Q701-T705 PolarHBondContact O-N 2.79Å; Q701-T705 PolarHBondContact O-OG1 2.88Å; I702-T705 WeakPolarHBondContact O-CB 3.41Å; I702-T705 PolarHBondContact O-N 3.16Å; I702-T705 VanDerWaalsContact O-N 3.12Å; T705-K707 VanDerWaalsContact C-N 3.34Å; T705-K707 PolarHBondContact O-N 3.45Å; T705-G708 WeakPolarHBondContact O-CA 3.44Å; T705-G708 PolarHBondContact O-N 3.45Å; T705-L709 WeakPolarHBondContact O-CG 3.47Å; T705-L709 PolarHBondContact O-N 2.81Å |
| 706 | V | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | -178.7 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | I679 I702 G708 L709 L714 L719 L740 Y743 L744 | I679-V706 HydrophobicContact CD1-CG2 4.4Å; I702-V706 HydrophobicContact CG2-CG2 3.96Å; I702-V706 WeakPolarHBondContact O-CB 3.37Å; I702-V706 VanDerWaalsContact O-CG2 3.28Å; I702-V706 WeakPolarHBondContact O-CG2 3.09Å; I702-V706 PolarHBondContact O-N 3.42Å; V706-G708 PolarHBondContact O-N 3.48Å; V706-L709 PolarHBondContact O-N 3.19Å; V706-L714 HydrophobicContact CG1-CD2 3.4Å; V706-L714 VanDerWaalsContact CG1-CD2 3.4Å; V706-L719 HydrophobicContact CG1-CD1 4.21Å; V706-L719 HydrophobicContact CG2-CD1 4.28Å; V706-L719 HydrophobicContact CG2-CD2 4.37Å; V706-L740 HydrophobicContact CB-CD1 4.17Å; V706-L740 HydrophobicContact CG1-CD1 3.88Å; V706-L740 HydrophobicContact CG2-CD1 4.46Å; V706-Y743 HydrophobicContact CG1-CD1 4.5Å; V706-Y743 HydrophobicContact CG1-CE1 4.4Å; V706-L744 HydrophobicContact CG1-CD2 4.11Å |
| 707 | K | 89.9 | Confident | 89.5 | Confident | 86 Ų | 86 | 53.3 Ų | 53.3 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -22.2 | 175.7 | -73.9 | 179.8 | 179.2 | 176.6 | 0 | 113.4 | V703 T704 T705 E739 Y743 | V703-K707 HydrophobicContact CG1-CD 4.08Å; V703-K707 WeakPolarHBondContact O-CB 3.44Å; V703-K707 VanDerWaalsContact O-CG 3.29Å; V703-K707 WeakPolarHBondContact O-CG 3.43Å; V703-K707 PolarHBondContact O-N 3.5Å; T704-K707 PolarHBondContact O-N 3.38Å; T705-K707 VanDerWaalsContact C-N 3.34Å; T705-K707 PolarHBondContact O-N 3.45Å; K707-E739 IonicContact NZ-OE1 2.79Å; K707-E739 PolarHBondContact NZ-OE1 3.06Å; K707-Y743 HydrophobicContact CG-CD1 4.16Å; K707-Y743 HydrophobicContact CG-CD2 4.03Å; K707-Y743 HydrophobicContact CG-CE1 3.97Å; K707-Y743 HydrophobicContact CG-CE2 3.81Å; K707-Y743 HydrophobicContact CG-CG 4.19Å |
| 708 | G | 86.5 | Confident | 89.4 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -87.6 | -8.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T704 T705 V706 | T704-G708 PolarHBondContact O-N 2.99Å; T704-G708 VanDerWaalsContact O-N 3.15Å; T705-G708 WeakPolarHBondContact O-CA 3.44Å; T705-G708 PolarHBondContact O-N 3.45Å; V706-G708 PolarHBondContact O-N 3.48Å |
| 709 | L | 86.6 | Confident | 89.3 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 31% | 0.314 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -80.3 | 156.5 | 178.9 | -63.8 | 164.1 | 0 | 0 | 0 | 111.9 | V678 T705 V706 T711 L714 | V678-L709 HydrophobicContact CG1-CD1 3.04Å; V678-L709 HydrophobicContact CG1-CD2 4.3Å; V678-L709 HydrophobicContact CG1-CG 4.27Å; T705-L709 WeakPolarHBondContact O-CG 3.47Å; T705-L709 PolarHBondContact O-N 2.81Å; V706-L709 PolarHBondContact O-N 3.19Å; L709-T711 PolarHBondContact O-N 3.19Å; L709-T711 VanDerWaalsContact O-N 3.16Å; L709-L714 HydrophobicContact CB-CD1 4.23Å |
| 710 | N | 82.9 | Confident | 89.2 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 54% | 0.535 | 28% | 0.281 | S | S | . | . | trans | -62.1 | 118.7 | 170.2 | -175.1 | -24.1 | 0 | 0 | 0 | 109.9 | K712 N713 L714 | N710-K712 PolarHBondContact O-N 3.25Å; N710-K712 VanDerWaalsContact O-N 3.07Å; N710-K712 PolarHBondContact OD1-N 2.87Å; N710-K712 VanDerWaalsContact OD1-N 3.12Å; N710-N713 PolarHBondContact O-N 3.38Å; N710-L714 WeakPolarHBondContact O-CD1 3.45Å | ||
| 711 | T | 82.3 | Confident | 89 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -51.8 | -36.3 | -175.5 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | L709 N713 L714 K747 P749 | L709-T711 PolarHBondContact O-N 3.19Å; L709-T711 VanDerWaalsContact O-N 3.16Å; T711-N713 PolarHBondContact O-N 2.97Å; T711-L714 VanDerWaalsContact CA-CD1 3.43Å; T711-L714 WeakPolarHBondContact O-CD1 3.44Å; T711-L714 PolarHBondContact O-N 3.31Å; T711-K747 HydrophobicContact CG2-CB 4.2Å; T711-P749 WeakPolarHBondContact O-CD 3.35Å; T711-P749 WeakPolarHBondContact O-CG 3.37Å |
| 712 | K | 78.5 | Confident | 88.9 | Confident | 162 Ų | 162 | 42.1 Ų | 42.1 | 70% | 0.704 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -64.5 | -19.9 | -178.1 | -65.5 | -175 | 178.9 | -179 | 0 | 114.9 | N710 | N710-K712 PolarHBondContact O-N 3.25Å; N710-K712 VanDerWaalsContact O-N 3.07Å; N710-K712 PolarHBondContact OD1-N 2.87Å; N710-K712 VanDerWaalsContact OD1-N 3.12Å |
| 713 | N | 80.1 | Confident | 88.9 | Confident | 127 Ų | 127 | 42.1 Ų | 42.1 | 68% | 0.679 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -113.8 | 9.8 | -172.5 | -65.7 | -12.6 | 0 | 0 | 0 | 113.7 | N710 T711 P715 | N710-N713 PolarHBondContact O-N 3.38Å; T711-N713 PolarHBondContact O-N 2.97Å; N713-P715 WeakPolarHBondContact O-CD 3.29Å |
| 714 | L | 86.9 | Confident | 88.7 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | trans | -68.3 | 129.1 | 179.8 | -89.1 | 95 | 0 | 0 | 0 | 111.8 | V706 L709 N710 T711 V716 L719 L744 | V706-L714 HydrophobicContact CG1-CD2 3.4Å; V706-L714 VanDerWaalsContact CG1-CD2 3.4Å; L709-L714 HydrophobicContact CB-CD1 4.23Å; N710-L714 WeakPolarHBondContact O-CD1 3.45Å; T711-L714 VanDerWaalsContact CA-CD1 3.43Å; T711-L714 WeakPolarHBondContact O-CD1 3.44Å; T711-L714 PolarHBondContact O-N 3.31Å; L714-V716 HydrophobicContact CB-CG2 4.17Å; L714-V716 PolarHBondContact O-N 3.13Å; L714-L719 HydrophobicContact CD2-CD1 4.22Å; L714-L744 HydrophobicContact CD2-CD2 3.42Å; L714-L744 VanDerWaalsContact CD2-CD2 3.42Å | ||
| 715 | P | 89.9 | Confident | 88.4 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | trans | -79.7 | 72 | 172.9 | 33.8 | -34.9 | 0 | 0 | 0 | 110 | Q674 V678 N713 Q717 A718 L719 | Q674-P715 HydrophobicContact CB-CB 4.08Å; V678-P715 HydrophobicContact CB-CG 4.31Å; V678-P715 HydrophobicContact CG2-CG 3.72Å; N713-P715 WeakPolarHBondContact O-CD 3.29Å; P715-Q717 PolarHBondContact O-N 3.37Å; P715-A718 HydrophobicContact CB-CB 4.09Å; P715-A718 PolarHBondContact O-N 3.21Å; P715-L719 HydrophobicContact CG-CD1 4.31Å; P715-L719 HydrophobicContact CG-CG 4.24Å; P715-L719 WeakPolarHBondContact O-CG 3.36Å; P715-L719 PolarHBondContact O-N 3.45Å | ||
| 716 | V | 91.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.8 | -51.8 | -170.7 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | L714 A718 L719 V720 L744 F751 | L714-V716 HydrophobicContact CB-CG2 4.17Å; L714-V716 PolarHBondContact O-N 3.13Å; V716-A718 VanDerWaalsContact C-N 3.34Å; V716-A718 PolarHBondContact O-N 2.93Å; V716-L719 PolarHBondContact O-N 3.09Å; V716-V720 WeakPolarHBondContact O-CG2 3.09Å; V716-V720 PolarHBondContact O-N 2.92Å; V716-L744 HydrophobicContact CG1-CB 4.3Å; V716-F751 HydrophobicContact CG1-CB 4.07Å; V716-F751 HydrophobicContact CG1-CD2 3.59Å; V716-F751 HydrophobicContact CG1-CG 4.26Å |
| 717 | Q | 91.7 | Very high | 87.5 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | -179.7 | -159.6 | -167.9 | 77.1 | 0 | 0 | 112.3 | E663 E664 L666 P715 V720 R721 V754 S755 | E663-Q717 WeakPolarHBondContact OE1-CB 3.38Å; E663-Q717 WeakPolarHBondContact OE1-CG 3.5Å; E663-Q717 PolarHBondContact OE1-NE2 3.3Å; E664-Q717 PolarHBondContact O-NE2 2.83Å; L666-Q717 VanDerWaalsContact CB-OE1 3.26Å; L666-Q717 HydrophobicContact CD1-CB 4.26Å; L666-Q717 VanDerWaalsContact CD1-OE1 3.32Å; P715-Q717 PolarHBondContact O-N 3.37Å; Q717-V720 PolarHBondContact O-N 3.29Å; Q717-R721 HydrophobicContact CG-CG 4.46Å; Q717-R721 WeakPolarHBondContact O-CB 3.4Å; Q717-R721 VanDerWaalsContact O-CG 3.28Å; Q717-R721 WeakPolarHBondContact O-CG 3.48Å; Q717-R721 PolarHBondContact O-N 3.36Å; Q717-V754 HydrophobicContact CG-CG1 4.37Å; Q717-S755 VanDerWaalsContact CA-OG 3.24Å; Q717-S755 WeakPolarHBondContact CA-OG 3.48Å |
| 718 | A | 91.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -45.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L666 V671 Q674 V675 P715 V716 R721 Y722 | L666-A718 HydrophobicContact CD1-CB 4.15Å; V671-A718 HydrophobicContact CG1-CB 4.34Å; V671-A718 WeakPolarHBondContact CG1-O 3.35Å; Q674-A718 HydrophobicContact CB-CB 3.73Å; V675-A718 HydrophobicContact CG2-CB 3.81Å; P715-A718 HydrophobicContact CB-CB 4.09Å; P715-A718 PolarHBondContact O-N 3.21Å; V716-A718 VanDerWaalsContact C-N 3.34Å; V716-A718 PolarHBondContact O-N 2.93Å; A718-R721 PolarHBondContact O-N 2.93Å; A718-Y722 WeakPolarHBondContact O-CB 3.2Å; A718-Y722 PolarHBondContact O-N 2.82Å |
| 719 | L | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 176.6 | -70.6 | 169.4 | 0 | 0 | 0 | 111.6 | V675 I679 V706 L714 P715 V716 R721 Y722 F723 L744 | V675-L719 HydrophobicContact CG1-CD2 4.43Å; V675-L719 HydrophobicContact CG2-CD2 4.22Å; I679-L719 HydrophobicContact CD1-CD2 3.6Å; I679-L719 HydrophobicContact CG1-CD2 4.4Å; V706-L719 HydrophobicContact CG1-CD1 4.21Å; V706-L719 HydrophobicContact CG2-CD1 4.28Å; V706-L719 HydrophobicContact CG2-CD2 4.37Å; L714-L719 HydrophobicContact CD2-CD1 4.22Å; P715-L719 HydrophobicContact CG-CD1 4.31Å; P715-L719 HydrophobicContact CG-CG 4.24Å; P715-L719 WeakPolarHBondContact O-CG 3.36Å; P715-L719 PolarHBondContact O-N 3.45Å; V716-L719 PolarHBondContact O-N 3.09Å; L719-R721 PolarHBondContact O-N 3.33Å; L719-Y722 PolarHBondContact O-N 3.38Å; L719-F723 HydrophobicContact CD2-CE2 4.45Å; L719-F723 WeakPolarHBondContact O-CD2 3.1Å; L719-F723 PolarHBondContact O-N 3.12Å; L719-L744 HydrophobicContact CB-CD1 3.91Å; L719-L744 HydrophobicContact CD1-CD1 4.47Å; L719-L744 HydrophobicContact CD1-CD2 3.97Å |
| 720 | V | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | V716 Q717 Y722 F723 V724 Y741 L744 C759 | V716-V720 WeakPolarHBondContact O-CG2 3.09Å; V716-V720 PolarHBondContact O-N 2.92Å; Q717-V720 PolarHBondContact O-N 3.29Å; V720-Y722 PolarHBondContact O-N 3.44Å; V720-F723 PolarHBondContact O-N 2.99Å; V720-V724 HydrophobicContact CG1-CG2 4.17Å; V720-V724 VanDerWaalsContact O-CG2 3.3Å; V720-V724 WeakPolarHBondContact O-CG2 3.46Å; V720-V724 PolarHBondContact O-N 3.22Å; V720-Y741 HydrophobicContact CG1-CE1 4.35Å; V720-Y741 HydrophobicContact CG2-CD1 4.27Å; V720-L744 HydrophobicContact CG2-CD1 3.83Å; V720-C759 HydrophobicContact CG1-CB 4.23Å |
| 721 | R | 92 | Very high | 87.6 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | -177.2 | -70.6 | -179.8 | 72.2 | -148 | 6.5 | 113.2 | E665 L666 D668 V671 Q717 A718 L719 F723 V724 K725 Y758 | E665-R721 IonicContact OE1-NH2 3.07Å; L666-R721 VanDerWaalsContact C-NH1 3.31Å; L666-R721 PolarHBondContact O-NH1 3.26Å; L666-R721 PolarHBondContact O-NH2 2.96Å; D668-R721 IonicContact OD1-NH2 3.12Å; V671-R721 HydrophobicContact CG1-CB 4.27Å; V671-R721 HydrophobicContact CG2-CB 4.21Å; Q717-R721 HydrophobicContact CG-CG 4.46Å; Q717-R721 WeakPolarHBondContact O-CB 3.4Å; Q717-R721 VanDerWaalsContact O-CG 3.28Å; Q717-R721 WeakPolarHBondContact O-CG 3.48Å; Q717-R721 PolarHBondContact O-N 3.36Å; A718-R721 PolarHBondContact O-N 2.93Å; L719-R721 PolarHBondContact O-N 3.33Å; R721-F723 VanDerWaalsContact C-N 3.28Å; R721-F723 PolarHBondContact O-N 3.15Å; R721-V724 PolarHBondContact O-N 2.72Å; R721-K725 PolarHBondContact O-N 3.33Å; R721-Y758 VanDerWaalsContact CD-CE2 3.45Å; R721-Y758 HydrophobicContact CG-CD1 3.96Å; R721-Y758 HydrophobicContact CG-CD2 3.56Å; R721-Y758 HydrophobicContact CG-CE1 4.07Å; R721-Y758 HydrophobicContact CG-CE2 3.73Å; R721-Y758 HydrophobicContact CG-CG 3.71Å; R721-Y758 VanDerWaalsContact NE-CE2 3.34Å; R721-Y758 PolarHBondContact NE-OH 3.45Å; R721-Y758 VanDerWaalsContact NE-OH 3.08Å; R721-Y758 PolarHBondContact NH2-OH 3.38Å |
| 722 | Y | 91.7 | Very high | 88 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 175.8 | -177 | -83.7 | 0 | 0 | 0 | 111.5 | V675 L684 Y687 A718 L719 V720 R726 | V675-Y722 HydrophobicContact CB-CD2 4.05Å; V675-Y722 HydrophobicContact CB-CG 4.43Å; V675-Y722 HydrophobicContact CG1-CD1 4.39Å; V675-Y722 HydrophobicContact CG1-CD2 3.85Å; V675-Y722 HydrophobicContact CG1-CE2 4.09Å; V675-Y722 HydrophobicContact CG1-CG 4.03Å; V675-Y722 HydrophobicContact CG2-CD2 4.09Å; V675-Y722 HydrophobicContact CG2-CG 4.11Å; L684-Y722 WeakPolarHBondContact CB-OH 3.39Å; L684-Y722 HydrophobicContact CD1-CE2 4.34Å; L684-Y722 HydrophobicContact CD2-CE1 3.8Å; L684-Y722 HydrophobicContact CD2-CE2 4.22Å; L684-Y722 WeakPolarHBondContact CD2-OH 3.3Å; Y687-Y722 HydrophobicContact CD1-CE1 4.29Å; A718-Y722 WeakPolarHBondContact O-CB 3.2Å; A718-Y722 PolarHBondContact O-N 2.82Å; L719-Y722 PolarHBondContact O-N 3.38Å; V720-Y722 PolarHBondContact O-N 3.44Å; Y722-R726 VanDerWaalsContact CD1-NH1 3.35Å; Y722-R726 VanDerWaalsContact CE1-CZ 3.43Å; Y722-R726 VanDerWaalsContact CE1-NH1 3.28Å; Y722-R726 PolarHBondContact O-NH1 3.46Å; Y722-R726 PolarHBondContact OH-NH2 3.01Å |
| 723 | F | 92.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -79.9 | -33.5 | 180 | -77 | -59.6 | 0 | 0 | 0 | 114.1 | Y687 L699 I702 L719 V720 R721 R726 K737 L740 Y741 | Y687-F723 HydrophobicContact CD1-CD1 4.37Å; Y687-F723 AromaticContact CD1-CE1 3.92Å; Y687-F723 HydrophobicContact CD1-CE1 3.92Å; Y687-F723 HydrophobicContact CD2-CE1 4.45Å; Y687-F723 AromaticContact CE1-CD1 3.61Å; Y687-F723 HydrophobicContact CE1-CD1 3.61Å; Y687-F723 AromaticContact CE1-CE1 3.59Å; Y687-F723 HydrophobicContact CE1-CE1 3.59Å; Y687-F723 HydrophobicContact CE2-CE1 4.18Å; Y687-F723 HydrophobicContact CG-CE1 4.34Å; Y687-F723 AromaticContact CZ-CD1 3.7Å; Y687-F723 AromaticContact CZ-CE1 3.74Å; L699-F723 HydrophobicContact CD1-CD1 4.19Å; L699-F723 HydrophobicContact CD1-CE1 3.6Å; L699-F723 HydrophobicContact CD1-CZ 3.92Å; I702-F723 HydrophobicContact CD1-CE1 4.3Å; I702-F723 HydrophobicContact CD1-CZ 3.9Å; I702-F723 HydrophobicContact CG2-CE2 4.17Å; I702-F723 HydrophobicContact CG2-CZ 3.78Å; L719-F723 HydrophobicContact CD2-CE2 4.45Å; L719-F723 WeakPolarHBondContact O-CD2 3.1Å; L719-F723 PolarHBondContact O-N 3.12Å; V720-F723 PolarHBondContact O-N 2.99Å; R721-F723 VanDerWaalsContact C-N 3.28Å; R721-F723 PolarHBondContact O-N 3.15Å; F723-R726 PolarHBondContact O-N 3.06Å; F723-K737 HydrophobicContact CB-CD 4.01Å; F723-K737 HydrophobicContact CB-CG 4.12Å; F723-K737 HydrophobicContact CG-CG 4.48Å; F723-K737 PolarHBondContact O-NZ 3.1Å; F723-L740 HydrophobicContact CD2-CD2 3.59Å; F723-L740 HydrophobicContact CE2-CD2 3.49Å; F723-L740 VanDerWaalsContact CE2-CD2 3.49Å; F723-L740 HydrophobicContact CG-CD2 4.44Å; F723-L740 HydrophobicContact CZ-CD2 4.25Å; F723-Y741 HydrophobicContact CB-CE1 4.03Å |
| 724 | V | 89.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 19% | 0.188 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.3 | -37.5 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 112.1 | V720 R721 R726 Y741 Y758 E762 | V720-V724 HydrophobicContact CG1-CG2 4.17Å; V720-V724 VanDerWaalsContact O-CG2 3.3Å; V720-V724 WeakPolarHBondContact O-CG2 3.46Å; V720-V724 PolarHBondContact O-N 3.22Å; R721-V724 PolarHBondContact O-N 2.72Å; V724-R726 PolarHBondContact O-N 2.97Å; V724-Y741 WeakPolarHBondContact CG2-OH 3.28Å; V724-Y741 PolarHBondContact N-OH 3.33Å; V724-Y758 HydrophobicContact CG1-CD1 4.2Å; V724-E762 HydrophobicContact CG1-CG 4.27Å; V724-E762 HydrophobicContact CG2-CG 4.35Å |
| 725 | K | 85.2 | Confident | 89.7 | Confident | 98 Ų | 98 | 34 Ų | 34 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -66.1 | -23.2 | 178.4 | -76.6 | -175 | 179.7 | 176.7 | 0 | 114 | D668 R721 H727 | D668-K725 IonicContact OD1-NZ 2.57Å; D668-K725 PolarHBondContact OD1-NZ 3.44Å; D668-K725 IonicContact OD2-NZ 2.67Å; D668-K725 PolarHBondContact OD2-NZ 3.47Å; R721-K725 PolarHBondContact O-N 3.33Å; K725-H727 PolarHBondContact O-N 2.98Å |
| 726 | R | 83.9 | Confident | 89.9 | Confident | 56 Ų | 56 | 34.7 Ų | 34.7 | 21% | 0.211 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -94 | 90.7 | -178.6 | -70.3 | 170.4 | 171.1 | 88 | -2.5 | 109.2 | Y687 D688 Y722 F723 V724 E728 | Y687-R726 HydrophobicContact CE1-CB 4.05Å; Y687-R726 HydrophobicContact CE1-CG 4.46Å; D688-R726 WeakPolarHBondContact OD1-CD 3.44Å; D688-R726 IonicContact OD1-CZ 3.25Å; D688-R726 IonicContact OD1-NE 3.92Å; D688-R726 PolarHBondContact OD1-NE 2.82Å; D688-R726 IonicContact OD1-NH2 2.98Å; D688-R726 IonicContact OD2-CZ 2.84Å; D688-R726 IonicContact OD2-NE 3.05Å; D688-R726 IonicContact OD2-NH2 3.94Å; D688-R726 PolarHBondContact OD2-NH2 3.02Å; Y722-R726 VanDerWaalsContact CD1-NH1 3.35Å; Y722-R726 VanDerWaalsContact CE1-CZ 3.43Å; Y722-R726 VanDerWaalsContact CE1-NH1 3.28Å; Y722-R726 PolarHBondContact O-NH1 3.46Å; Y722-R726 PolarHBondContact OH-NH2 3.01Å; F723-R726 PolarHBondContact O-N 3.06Å; V724-R726 PolarHBondContact O-N 2.97Å; R726-E728 PolarHBondContact O-N 3.36Å |
| 727 | H | 78.6 | Confident | 90 | Very high | 119 Ų | 119 | 34.7 Ų | 34.7 | 55% | 0.551 | 17% | 0.166 | S | C | * | . | trans | -60.9 | 118.7 | -179 | -177.4 | -72.4 | 0 | 0 | 0 | 111 | K725 N729 | K725-H727 PolarHBondContact O-N 2.98Å; H727-N729 PolarHBondContact CE1-OD1 3.31Å | ||
| 728 | E | 86.2 | Confident | 90.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 5% | 0.051 | 16% | 0.164 | C | C | . | . | trans | -113.7 | 144.4 | -179.7 | -179.4 | 52.8 | -104.5 | 0 | 0 | 110.5 | R695 R726 N730 I733 Q734 | R695-E728 IonicContact CZ-OE2 2.86Å; R695-E728 IonicContact NE-OE2 3.17Å; R695-E728 PolarHBondContact NE-OE2 3.2Å; R695-E728 IonicContact NH2-OE1 3.09Å; R695-E728 PolarHBondContact NH2-OE1 3.24Å; R695-E728 IonicContact NH2-OE2 3.97Å; R695-E728 PolarHBondContact NH2-OE2 3Å; R726-E728 PolarHBondContact O-N 3.36Å; E728-N730 VanDerWaalsContact OE1-CB 3.28Å; E728-N730 WeakPolarHBondContact OE1-CB 3.29Å; E728-N730 PolarHBondContact OE1-N 3.32Å; E728-I733 HydrophobicContact CG-CB 3.66Å; E728-I733 HydrophobicContact CG-CD1 4.39Å; E728-I733 HydrophobicContact CG-CG2 3.61Å; E728-I733 WeakPolarHBondContact OE2-CD1 3.45Å; E728-Q734 HydrophobicContact CB-CG 4.38Å; E728-Q734 HydrophobicContact CG-CG 4.18Å; E728-Q734 PolarHBondContact O-NE2 3.19Å | ||
| 729 | N | 84 | Confident | 90.3 | Very high | 124 Ų | 124 | 37.5 Ų | 37.5 | 66% | 0.663 | 18% | 0.179 | S | C | * | . | trans | -115.3 | -18.8 | 179.8 | -78.6 | -44.6 | 0 | 0 | 0 | 113.6 | H727 | H727-N729 PolarHBondContact CE1-OD1 3.31Š| ||
| 730 | N | 89.6 | Confident | 90.4 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 16% | 0.16 | 18% | 0.179 | C | C | . | . | trans | -78.2 | 122.1 | 179.1 | -172 | -53.3 | 0 | 0 | 0 | 110.3 | W692 E728 Q732 I733 Q734 | W692-N730 WeakPolarHBondContact CZ3-ND2 3.29Å; E728-N730 VanDerWaalsContact OE1-CB 3.28Å; E728-N730 WeakPolarHBondContact OE1-CB 3.29Å; E728-N730 PolarHBondContact OE1-N 3.32Å; N730-Q732 VanDerWaalsContact C-N 3.29Å; N730-Q732 PolarHBondContact O-N 3.01Å; N730-Q732 WeakPolarHBondContact OD1-CB 3.48Å; N730-Q732 PolarHBondContact OD1-N 3.49Å; N730-I733 HydrophobicContact CB-CB 4.34Å; N730-I733 HydrophobicContact CB-CD1 3.88Å; N730-I733 HydrophobicContact CB-CG1 4Å; N730-I733 PolarHBondContact O-N 2.97Å; N730-Q734 WeakPolarHBondContact O-CG 3.47Å; N730-Q734 PolarHBondContact O-N 3.26Å | ||
| 731 | F | 88.3 | Confident | 90.5 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 37% | 0.368 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.8 | -29.8 | -176.2 | 77.1 | -86.9 | 0 | 0 | 0 | 113.6 | Q734 S735 K771 | F731-Q734 PolarHBondContact O-N 3.29Å; F731-S735 WeakPolarHBondContact O-CB 3.38Å; F731-S735 PolarHBondContact O-N 3Å; F731-S735 PolarHBondContact O-OG 3.03Å; F731-K771 HydrophobicContact CD2-CD 4.02Å; F731-K771 HydrophobicContact CE2-CD 4.26Å; F731-K771 HydrophobicContact CG-CD 4.25Å |
| 732 | Q | 90.4 | Very high | 90.7 | Very high | 83 Ų | 83 | 37.5 Ų | 37.5 | 39% | 0.388 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 178.2 | -61.7 | 177.7 | -61.8 | 0 | 0 | 110.7 | L696 N730 S735 L736 | L696-Q732 HydrophobicContact CD1-CB 4.17Å; N730-Q732 VanDerWaalsContact C-N 3.29Å; N730-Q732 PolarHBondContact O-N 3.01Å; N730-Q732 WeakPolarHBondContact OD1-CB 3.48Å; N730-Q732 PolarHBondContact OD1-N 3.49Å; Q732-S735 PolarHBondContact O-N 2.98Å; Q732-L736 PolarHBondContact O-N 3.21Å; Q732-L736 VanDerWaalsContact O-N 3.17Å |
| 733 | I | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 176.2 | -53.7 | 178.4 | 0 | 0 | 0 | 109.6 | Y687 W692 R695 L696 L699 E728 N730 S735 L736 K737 | Y687-I733 HydrophobicContact CE2-CG2 4.16Å; W692-I733 HydrophobicContact CB-CD1 4.32Å; W692-I733 WeakPolarHBondContact O-CD1 3.32Å; R695-I733 HydrophobicContact CB-CD1 3.97Å; L696-I733 HydrophobicContact CB-CD1 4.11Å; L696-I733 HydrophobicContact CB-CG1 3.87Å; L696-I733 HydrophobicContact CD1-CG1 3.82Å; L696-I733 HydrophobicContact CG-CG1 4.43Å; L699-I733 HydrophobicContact CD2-CG2 3.5Å; L699-I733 VanDerWaalsContact CD2-CG2 3.5Å; L699-I733 WeakPolarHBondContact CD2-O 3.21Å; E728-I733 HydrophobicContact CG-CB 3.66Å; E728-I733 HydrophobicContact CG-CD1 4.39Å; E728-I733 HydrophobicContact CG-CG2 3.61Å; E728-I733 WeakPolarHBondContact OE2-CD1 3.45Å; N730-I733 HydrophobicContact CB-CB 4.34Å; N730-I733 HydrophobicContact CB-CD1 3.88Å; N730-I733 HydrophobicContact CB-CG1 4Å; N730-I733 PolarHBondContact O-N 2.97Å; I733-S735 PolarHBondContact O-N 3.33Å; I733-L736 PolarHBondContact O-N 2.97Å; I733-K737 WeakPolarHBondContact O-CB 3.03Å; I733-K737 PolarHBondContact O-N 2.95Å |
| 734 | Q | 93.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 174.5 | -71.3 | 173.2 | -0.3 | 0 | 0 | 112.8 | E728 N730 F731 L736 K737 F738 K766 L772 | E728-Q734 HydrophobicContact CB-CG 4.38Å; E728-Q734 HydrophobicContact CG-CG 4.18Å; E728-Q734 PolarHBondContact O-NE2 3.19Å; N730-Q734 WeakPolarHBondContact O-CG 3.47Å; N730-Q734 PolarHBondContact O-N 3.26Å; F731-Q734 PolarHBondContact O-N 3.29Å; Q734-L736 PolarHBondContact O-N 3.22Å; Q734-K737 WeakPolarHBondContact O-CB 3.48Å; Q734-K737 PolarHBondContact O-N 3.16Å; Q734-K737 VanDerWaalsContact O-N 3.16Å; Q734-F738 HydrophobicContact CB-CE2 4.41Å; Q734-F738 WeakPolarHBondContact O-CD2 3.42Å; Q734-F738 PolarHBondContact O-N 2.99Å; Q734-K766 VanDerWaalsContact NE2-CE 3.35Å; Q734-L772 HydrophobicContact CB-CD1 4.12Å; Q734-L772 HydrophobicContact CB-CD2 4.13Å |
| 735 | S | 93.5 | Very high | 91 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 175 | -78 | 0 | 0 | 0 | 0 | 111.7 | F731 Q732 I733 K737 F738 E739 L772 H775 | F731-S735 WeakPolarHBondContact O-CB 3.38Å; F731-S735 PolarHBondContact O-N 3Å; F731-S735 PolarHBondContact O-OG 3.03Å; Q732-S735 PolarHBondContact O-N 2.98Å; I733-S735 PolarHBondContact O-N 3.33Å; S735-K737 VanDerWaalsContact C-N 3.32Å; S735-K737 PolarHBondContact O-N 3.41Å; S735-F738 PolarHBondContact O-N 3.28Å; S735-E739 PolarHBondContact O-N 2.79Å; S735-L772 VanDerWaalsContact OG-CD2 3.3Å; S735-L772 WeakPolarHBondContact OG-CD2 3.46Å; S735-H775 PolarHBondContact OG-NE2 3.28Å |
| 736 | L | 93.9 | Very high | 91.2 | Very high | 31 Ų | 31 | 37.9 Ų | 37.9 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | 175.8 | -74.5 | 169.1 | 0 | 0 | 0 | 112.3 | L696 L699 E700 Q732 I733 Q734 E739 L740 | L696-L736 HydrophobicContact CD1-CD1 3.51Å; L699-L736 HydrophobicContact CD2-CB 3.76Å; L699-L736 HydrophobicContact CG-CB 4.18Å; E700-L736 HydrophobicContact CG-CD1 3.51Å; Q732-L736 PolarHBondContact O-N 3.21Å; Q732-L736 VanDerWaalsContact O-N 3.17Å; I733-L736 PolarHBondContact O-N 2.97Å; Q734-L736 PolarHBondContact O-N 3.22Å; L736-E739 WeakPolarHBondContact O-CB 3.19Å; L736-E739 PolarHBondContact O-N 2.91Å; L736-L740 WeakPolarHBondContact O-CB 3.27Å; L736-L740 PolarHBondContact O-N 3.46Å |
| 737 | K | 94.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 177 | -150.3 | 169.8 | 84 | 152.5 | 0 | 112.1 | L699 F723 I733 Q734 S735 L740 Y741 E762 | L699-K737 HydrophobicContact CD2-CB 4.35Å; F723-K737 HydrophobicContact CB-CD 4.01Å; F723-K737 HydrophobicContact CB-CG 4.12Å; F723-K737 HydrophobicContact CG-CG 4.48Å; F723-K737 PolarHBondContact O-NZ 3.1Å; I733-K737 WeakPolarHBondContact O-CB 3.03Å; I733-K737 PolarHBondContact O-N 2.95Å; Q734-K737 WeakPolarHBondContact O-CB 3.48Å; Q734-K737 PolarHBondContact O-N 3.16Å; Q734-K737 VanDerWaalsContact O-N 3.16Å; S735-K737 VanDerWaalsContact C-N 3.32Å; S735-K737 PolarHBondContact O-N 3.41Å; K737-L740 WeakPolarHBondContact O-CB 3.23Å; K737-L740 PolarHBondContact O-N 3.37Å; K737-Y741 WeakPolarHBondContact CE-OH 3.09Å; K737-Y741 HydrophobicContact CG-CE1 4.13Å; K737-Y741 HydrophobicContact CG-CE2 4.21Å; K737-Y741 PolarHBondContact NZ-OH 3.09Å; K737-Y741 WeakPolarHBondContact O-CD1 3.43Å; K737-Y741 VanDerWaalsContact O-CG 3.27Å; K737-Y741 PolarHBondContact O-N 2.82Å; K737-E762 WeakPolarHBondContact CE-OE2 3.38Å; K737-E762 IonicContact NZ-OE1 2.64Å; K737-E762 PolarHBondContact NZ-OE1 3.45Å; K737-E762 IonicContact NZ-OE2 3.76Å; K737-E762 PolarHBondContact NZ-OE2 3.24Å |
| 738 | F | 96.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -35.7 | 173.2 | -71.2 | -59 | 0 | 0 | 0 | 112.3 | Q734 S735 L740 Y741 C742 E762 K766 L772 H775 V776 T779 | Q734-F738 HydrophobicContact CB-CE2 4.41Å; Q734-F738 WeakPolarHBondContact O-CD2 3.42Å; Q734-F738 PolarHBondContact O-N 2.99Å; S735-F738 PolarHBondContact O-N 3.28Å; F738-L740 VanDerWaalsContact C-N 3.3Å; F738-L740 PolarHBondContact O-N 3.45Å; F738-Y741 AromaticContact CD1-CD2 3.93Å; F738-Y741 HydrophobicContact CD1-CD2 3.93Å; F738-Y741 HydrophobicContact CD1-CE2 4.35Å; F738-Y741 HydrophobicContact CE1-CD2 4.4Å; F738-Y741 HydrophobicContact CE1-CE2 4.48Å; F738-Y741 PolarHBondContact O-N 3.09Å; F738-C742 VanDerWaalsContact O-CB 3.29Å; F738-C742 WeakPolarHBondContact O-CB 3.45Å; F738-C742 PolarHBondContact O-N 3.36Å; F738-E762 HydrophobicContact CE1-CB 4.35Å; F738-E762 HydrophobicContact CZ-CB 4.43Å; F738-K766 HydrophobicContact CE2-CB 4.03Å; F738-K766 HydrophobicContact CE2-CG 4.19Å; F738-K766 HydrophobicContact CZ-CB 3.89Å; F738-K766 HydrophobicContact CZ-CG 3.99Å; F738-L772 HydrophobicContact CD2-CD2 4.42Å; F738-L772 HydrophobicContact CE2-CD1 4.44Å; F738-H775 HydrophobicContact CB-CB 3.83Å; F738-H775 HydrophobicContact CD2-CB 4.41Å; F738-H775 HydrophobicContact CG-CB 4.39Å; F738-V776 HydrophobicContact CD1-CG2 4.4Å; F738-V776 HydrophobicContact CD2-CG2 4.4Å; F738-V776 HydrophobicContact CE1-CG2 4.09Å; F738-V776 HydrophobicContact CE2-CG2 4.06Å; F738-V776 HydrophobicContact CZ-CG2 3.91Å; F738-T779 PolarHBondContact O-OG1 3.19Å |
| 739 | E | 93.8 | Very high | 91.4 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 172.4 | -166.6 | -173 | 148.9 | 0 | 0 | 111.6 | K707 S735 L736 C742 Y743 | K707-E739 IonicContact NZ-OE1 2.79Å; K707-E739 PolarHBondContact NZ-OE1 3.06Å; S735-E739 PolarHBondContact O-N 2.79Å; L736-E739 WeakPolarHBondContact O-CB 3.19Å; L736-E739 PolarHBondContact O-N 2.91Å; E739-C742 PolarHBondContact O-N 3.27Å; E739-Y743 WeakPolarHBondContact O-CB 3.48Å; E739-Y743 PolarHBondContact O-N 3.19Å |
| 740 | L | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 173.7 | -177.2 | 59.4 | 0 | 0 | 0 | 111.5 | V703 V706 F723 L736 K737 F738 C742 Y743 L744 | V703-L740 HydrophobicContact CG2-CB 4.14Å; V703-L740 HydrophobicContact CG2-CD1 4.36Å; V706-L740 HydrophobicContact CB-CD1 4.17Å; V706-L740 HydrophobicContact CG1-CD1 3.88Å; V706-L740 HydrophobicContact CG2-CD1 4.46Å; F723-L740 HydrophobicContact CD2-CD2 3.59Å; F723-L740 HydrophobicContact CE2-CD2 3.49Å; F723-L740 VanDerWaalsContact CE2-CD2 3.49Å; F723-L740 HydrophobicContact CG-CD2 4.44Å; F723-L740 HydrophobicContact CZ-CD2 4.25Å; L736-L740 WeakPolarHBondContact O-CB 3.27Å; L736-L740 PolarHBondContact O-N 3.46Å; K737-L740 WeakPolarHBondContact O-CB 3.23Å; K737-L740 PolarHBondContact O-N 3.37Å; F738-L740 VanDerWaalsContact C-N 3.3Å; F738-L740 PolarHBondContact O-N 3.45Å; L740-C742 VanDerWaalsContact C-N 3.32Å; L740-C742 PolarHBondContact O-N 3.24Å; L740-Y743 PolarHBondContact O-N 3.37Å; L740-L744 HydrophobicContact CD1-CD1 4.37Å; L740-L744 HydrophobicContact CD1-CG 4.27Å; L740-L744 HydrophobicContact CG-CD1 4.14Å; L740-L744 HydrophobicContact CG-CG 4.44Å; L740-L744 WeakPolarHBondContact O-CB 3.36Å; L740-L744 VanDerWaalsContact O-CG 3.28Å; L740-L744 WeakPolarHBondContact O-CG 3.39Å; L740-L744 PolarHBondContact O-N 3.13Å |
| 741 | Y | 95.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 177.1 | -60.3 | -22.9 | 0 | 0 | 0 | 112.2 | V720 F723 V724 K737 F738 Y743 L744 A745 C759 E762 | V720-Y741 HydrophobicContact CG1-CE1 4.35Å; V720-Y741 HydrophobicContact CG2-CD1 4.27Å; F723-Y741 HydrophobicContact CB-CE1 4.03Å; V724-Y741 WeakPolarHBondContact CG2-OH 3.28Å; V724-Y741 PolarHBondContact N-OH 3.33Å; K737-Y741 WeakPolarHBondContact CE-OH 3.09Å; K737-Y741 HydrophobicContact CG-CE1 4.13Å; K737-Y741 HydrophobicContact CG-CE2 4.21Å; K737-Y741 PolarHBondContact NZ-OH 3.09Å; K737-Y741 WeakPolarHBondContact O-CD1 3.43Å; K737-Y741 VanDerWaalsContact O-CG 3.27Å; K737-Y741 PolarHBondContact O-N 2.82Å; F738-Y741 AromaticContact CD1-CD2 3.93Å; F738-Y741 HydrophobicContact CD1-CD2 3.93Å; F738-Y741 HydrophobicContact CD1-CE2 4.35Å; F738-Y741 HydrophobicContact CE1-CD2 4.4Å; F738-Y741 HydrophobicContact CE1-CE2 4.48Å; F738-Y741 PolarHBondContact O-N 3.09Å; Y741-Y743 PolarHBondContact O-N 3.34Å; Y741-L744 PolarHBondContact O-N 3.14Å; Y741-A745 WeakPolarHBondContact O-CB 3.44Å; Y741-A745 PolarHBondContact O-N 3.16Å; Y741-C759 HydrophobicContact CD2-CB 3.86Å; Y741-C759 HydrophobicContact CE2-CB 4.22Å; Y741-C759 HydrophobicContact CG-CB 4.14Å; Y741-E762 WeakPolarHBondContact CE2-OE2 3.42Å; Y741-E762 PolarHBondContact OH-OE2 2.93Å |
| 742 | C | 94.7 | Very high | 91.3 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.054 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 175.5 | -173.7 | 0 | 0 | 0 | 0 | 111.4 | F738 E739 L740 A745 Q746 | F738-C742 VanDerWaalsContact O-CB 3.29Å; F738-C742 WeakPolarHBondContact O-CB 3.45Å; F738-C742 PolarHBondContact O-N 3.36Å; E739-C742 PolarHBondContact O-N 3.27Å; L740-C742 VanDerWaalsContact C-N 3.32Å; L740-C742 PolarHBondContact O-N 3.24Å; C742-A745 PolarHBondContact O-N 2.85Å; C742-Q746 WeakPolarHBondContact O-CG 3.44Å; C742-Q746 PolarHBondContact O-N 2.7Å |
| 743 | Y | 94 | Very high | 91.3 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 15% | 0.153 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 176.6 | 178.7 | -95.8 | 0 | 0 | 0 | 112.1 | V706 K707 E739 L740 Y741 A745 Q746 K747 | V706-Y743 HydrophobicContact CG1-CD1 4.5Å; V706-Y743 HydrophobicContact CG1-CE1 4.4Å; K707-Y743 HydrophobicContact CG-CD1 4.16Å; K707-Y743 HydrophobicContact CG-CD2 4.03Å; K707-Y743 HydrophobicContact CG-CE1 3.97Å; K707-Y743 HydrophobicContact CG-CE2 3.81Å; K707-Y743 HydrophobicContact CG-CG 4.19Å; E739-Y743 WeakPolarHBondContact O-CB 3.48Å; E739-Y743 PolarHBondContact O-N 3.19Å; L740-Y743 PolarHBondContact O-N 3.37Å; Y741-Y743 PolarHBondContact O-N 3.34Å; Y743-A745 VanDerWaalsContact C-N 3.33Å; Y743-A745 PolarHBondContact O-N 3.18Å; Y743-Q746 PolarHBondContact O-N 3.32Å; Y743-K747 HydrophobicContact CD2-CG 4.05Å; Y743-K747 HydrophobicContact CE1-CB 4.27Å; Y743-K747 HydrophobicContact CE2-CB 4.18Å; Y743-K747 HydrophobicContact CE2-CG 3.69Å; Y743-K747 WeakPolarHBondContact O-CB 3.32Å; Y743-K747 PolarHBondContact O-N 3.17Å |
| 744 | L | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -37.2 | 177.8 | -69.4 | 177 | 0 | 0 | 0 | 112.3 | V706 L714 V716 L719 V720 L740 Y741 G748 | V706-L744 HydrophobicContact CG1-CD2 4.11Å; L714-L744 HydrophobicContact CD2-CD2 3.42Å; L714-L744 VanDerWaalsContact CD2-CD2 3.42Å; V716-L744 HydrophobicContact CG1-CB 4.3Å; L719-L744 HydrophobicContact CB-CD1 3.91Å; L719-L744 HydrophobicContact CD1-CD1 4.47Å; L719-L744 HydrophobicContact CD1-CD2 3.97Å; V720-L744 HydrophobicContact CG2-CD1 3.83Å; L740-L744 HydrophobicContact CD1-CD1 4.37Å; L740-L744 HydrophobicContact CD1-CG 4.27Å; L740-L744 HydrophobicContact CG-CD1 4.14Å; L740-L744 HydrophobicContact CG-CG 4.44Å; L740-L744 WeakPolarHBondContact O-CB 3.36Å; L740-L744 VanDerWaalsContact O-CG 3.28Å; L740-L744 WeakPolarHBondContact O-CG 3.39Å; L740-L744 PolarHBondContact O-N 3.13Å; Y741-L744 PolarHBondContact O-N 3.14Å; L744-G748 WeakPolarHBondContact O-CA 3.46Å; L744-G748 PolarHBondContact O-N 3.17Å |
| 745 | A | 92.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 5% | 0.05 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y741 C742 Y743 F751 A782 A786 | Y741-A745 WeakPolarHBondContact O-CB 3.44Å; Y741-A745 PolarHBondContact O-N 3.16Å; C742-A745 PolarHBondContact O-N 2.85Å; Y743-A745 VanDerWaalsContact C-N 3.33Å; Y743-A745 PolarHBondContact O-N 3.18Å; A745-F751 HydrophobicContact CB-CD1 4.18Å; A745-F751 HydrophobicContact CB-CD2 3.96Å; A745-F751 HydrophobicContact CB-CE1 4.04Å; A745-F751 HydrophobicContact CB-CE2 3.84Å; A745-F751 HydrophobicContact CB-CG 4.14Å; A745-F751 HydrophobicContact CB-CZ 3.88Å; A745-A782 HydrophobicContact CB-CB 3.94Å; A745-A786 HydrophobicContact CB-CB 4.48Å; A745-A786 WeakPolarHBondContact O-CB 3.32Å |
| 746 | Q | 90.5 | Very high | 91.1 | Very high | 98 Ų | 98 | 29.8 Ų | 29.8 | 46% | 0.458 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -77.5 | -31.8 | -177.2 | -72.5 | 177.8 | -28 | 0 | 0 | 114.5 | C742 Y743 A782 | C742-Q746 WeakPolarHBondContact O-CG 3.44Å; C742-Q746 PolarHBondContact O-N 2.7Å; Y743-Q746 PolarHBondContact O-N 3.32Å; Q746-A782 HydrophobicContact CG-CB 3.76Å |
| 747 | K | 88.7 | Confident | 91.1 | Very high | 118 Ų | 118 | 34.2 Ų | 34.2 | 51% | 0.513 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -122 | -11.3 | -170.6 | -60.2 | -61 | -179.1 | -174.4 | 0 | 114.1 | T711 Y743 | T711-K747 HydrophobicContact CG2-CB 4.2Å; Y743-K747 HydrophobicContact CD2-CG 4.05Å; Y743-K747 HydrophobicContact CE1-CB 4.27Å; Y743-K747 HydrophobicContact CE2-CB 4.18Å; Y743-K747 HydrophobicContact CE2-CG 3.69Å; Y743-K747 WeakPolarHBondContact O-CB 3.32Å; Y743-K747 PolarHBondContact O-N 3.17Å |
| 748 | G | 85.1 | Confident | 90.9 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | trans | -77 | 125.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | L744 N750 | L744-G748 WeakPolarHBondContact O-CA 3.46Å; L744-G748 PolarHBondContact O-N 3.17Å; G748-N750 PolarHBondContact O-N 3.06Å | ||
| 749 | P | 79.1 | Confident | 90.6 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 32% | 0.318 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.2 | -172.8 | 26.1 | -35.8 | 0 | 0 | 0 | 113 | T711 | T711-P749 WeakPolarHBondContact O-CD 3.35Å; T711-P749 WeakPolarHBondContact O-CG 3.37Å |
| 750 | N | 79.5 | Confident | 90.6 | Very high | 108 Ų | 108 | 33.7 Ų | 33.7 | 58% | 0.578 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 31.8 | -174.6 | -64.4 | -22.2 | 0 | 0 | 0 | 112 | G748 G752 | G748-N750 PolarHBondContact O-N 3.06Å; N750-G752 PolarHBondContact O-N 3.2Å |
| 751 | F | 90.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | trans | -65.4 | 100.6 | 171.4 | -169.4 | -85.6 | 0 | 0 | 0 | 109.3 | V716 A745 F756 C783 A786 L787 | V716-F751 HydrophobicContact CG1-CB 4.07Å; V716-F751 HydrophobicContact CG1-CD2 3.59Å; V716-F751 HydrophobicContact CG1-CG 4.26Å; A745-F751 HydrophobicContact CB-CD1 4.18Å; A745-F751 HydrophobicContact CB-CD2 3.96Å; A745-F751 HydrophobicContact CB-CE1 4.04Å; A745-F751 HydrophobicContact CB-CE2 3.84Å; A745-F751 HydrophobicContact CB-CG 4.14Å; A745-F751 HydrophobicContact CB-CZ 3.88Å; F751-F756 HydrophobicContact CE1-CB 3.88Å; F751-F756 HydrophobicContact CZ-CB 4.21Å; F751-C783 HydrophobicContact CE1-CB 4.31Å; F751-A786 HydrophobicContact CB-CB 4.44Å; F751-A786 HydrophobicContact CD1-CB 3.79Å; F751-A786 HydrophobicContact CE1-CB 4.49Å; F751-A786 HydrophobicContact CG-CB 4.4Å; F751-L787 HydrophobicContact CD1-CG 4.5Å; F751-L787 HydrophobicContact CE1-CD1 4.41Å | ||
| 752 | G | 89.3 | Confident | 90.1 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | trans | -107.5 | -173.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | E663 N750 V754 S755 F756 | E663-G752 WeakPolarHBondContact OE2-CA 3.48Å; E663-G752 PolarHBondContact OE2-N 2.91Å; N750-G752 PolarHBondContact O-N 3.2Å; G752-V754 VanDerWaalsContact C-N 3.26Å; G752-V754 PolarHBondContact O-N 3.41Å; G752-S755 PolarHBondContact O-N 3.06Å; G752-F756 PolarHBondContact O-N 3.12Å | ||
| 753 | V | 90.5 | Very high | 90.1 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.2 | -32 | -178.4 | -175.5 | 0 | 0 | 0 | 0 | 112 | E663 R757 L787 L791 | E663-V753 PolarHBondContact OE2-N 3.02Å; V753-R757 WeakPolarHBondContact O-CG 3.33Å; V753-R757 PolarHBondContact O-N 3.11Å; V753-L787 HydrophobicContact CG2-CD2 4.49Å; V753-L791 HydrophobicContact CB-CD2 4.34Å; V753-L791 HydrophobicContact CG1-CD2 4.04Å; V753-L791 HydrophobicContact CG2-CD2 3.53Å |
| 754 | V | 90.5 | Very high | 90.1 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 14% | 0.139 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.4 | -50.3 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | E663 E665 Q717 G752 F756 R757 Y758 | E663-V754 HydrophobicContact CB-CG2 4.3Å; E663-V754 HydrophobicContact CG-CB 4.39Å; E663-V754 VanDerWaalsContact O-CG2 3.29Å; E663-V754 WeakPolarHBondContact O-CG2 3.41Å; E663-V754 WeakPolarHBondContact OE2-CA 3.24Å; E663-V754 WeakPolarHBondContact OE2-CB 3.47Å; E663-V754 PolarHBondContact OE2-N 3.27Å; E665-V754 HydrophobicContact CB-CG1 4.27Å; E665-V754 HydrophobicContact CG-CG1 4.09Å; Q717-V754 HydrophobicContact CG-CG1 4.37Å; G752-V754 VanDerWaalsContact C-N 3.26Å; G752-V754 PolarHBondContact O-N 3.41Å; V754-F756 VanDerWaalsContact C-N 3.29Å; V754-F756 PolarHBondContact O-N 2.93Å; V754-R757 PolarHBondContact O-N 3.1Å; V754-R757 VanDerWaalsContact O-N 3.14Å; V754-Y758 HydrophobicContact CG1-CD2 3.98Å; V754-Y758 HydrophobicContact CG1-CE2 3.75Å; V754-Y758 VanDerWaalsContact O-CD2 3.3Å; V754-Y758 WeakPolarHBondContact O-CD2 3.43Å; V754-Y758 PolarHBondContact O-N 3.47Å |
| 755 | S | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.5 | -46.7 | 174 | -74.6 | 0 | 0 | 0 | 0 | 112.3 | E663 Q717 G752 R757 Y758 C759 | E663-S755 PolarHBondContact OE1-OG 3.25Å; E663-S755 PolarHBondContact OE2-N 3.14Å; Q717-S755 VanDerWaalsContact CA-OG 3.24Å; Q717-S755 WeakPolarHBondContact CA-OG 3.48Å; G752-S755 PolarHBondContact O-N 3.06Å; S755-R757 PolarHBondContact O-N 2.83Å; S755-Y758 PolarHBondContact O-N 2.88Å; S755-C759 PolarHBondContact O-N 3.01Å |
| 756 | F | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 176.5 | 168.4 | -118.5 | 0 | 0 | 0 | 113.3 | F751 G752 V754 Y758 C759 L760 L780 C783 L787 V792 E795 | F751-F756 HydrophobicContact CE1-CB 3.88Å; F751-F756 HydrophobicContact CZ-CB 4.21Å; G752-F756 PolarHBondContact O-N 3.12Å; V754-F756 VanDerWaalsContact C-N 3.29Å; V754-F756 PolarHBondContact O-N 2.93Å; F756-Y758 VanDerWaalsContact C-N 3.28Å; F756-Y758 PolarHBondContact O-N 3.3Å; F756-C759 PolarHBondContact O-N 2.68Å; F756-C759 PolarHBondContact O-SG 3.49Å; F756-L760 HydrophobicContact CD2-CB 4.5Å; F756-L760 HydrophobicContact CE1-CD2 4.07Å; F756-L760 HydrophobicContact CE2-CB 4.1Å; F756-L760 HydrophobicContact CE2-CD1 4.14Å; F756-L760 HydrophobicContact CE2-CD2 4.46Å; F756-L760 HydrophobicContact CE2-CG 4.46Å; F756-L760 HydrophobicContact CZ-CB 4.24Å; F756-L760 HydrophobicContact CZ-CD1 4.03Å; F756-L760 HydrophobicContact CZ-CD2 3.78Å; F756-L760 HydrophobicContact CZ-CG 4.23Å; F756-L760 VanDerWaalsContact O-CB 3.23Å; F756-L760 WeakPolarHBondContact O-CB 3.48Å; F756-L760 PolarHBondContact O-N 3.07Å; F756-L780 HydrophobicContact CE2-CD2 4.26Å; F756-C783 HydrophobicContact CD2-CB 3.72Å; F756-C783 HydrophobicContact CE2-CB 4.01Å; F756-L787 HydrophobicContact CB-CD1 3.64Å; F756-L787 HydrophobicContact CD1-CD1 4.12Å; F756-L787 HydrophobicContact CG-CD1 3.92Å; F756-V792 HydrophobicContact CE1-CG1 4.48Å; F756-V792 HydrophobicContact CE1-CG2 4.28Å; F756-V792 HydrophobicContact CE2-CG1 3.8Å; F756-V792 HydrophobicContact CE2-CG2 4.35Å; F756-V792 HydrophobicContact CZ-CB 4.1Å; F756-V792 HydrophobicContact CZ-CG1 3.63Å; F756-V792 HydrophobicContact CZ-CG2 4.13Å; F756-E795 HydrophobicContact CE1-CB 3.72Å; F756-E795 HydrophobicContact CE1-CG 4.16Å; F756-E795 HydrophobicContact CZ-CB 4.27Å |
| 757 | R | 92.9 | Very high | 89.9 | Confident | 124 Ų | 124 | 35.7 Ų | 35.7 | 47% | 0.468 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.7 | -35.9 | -179.2 | -78.2 | 176.2 | 176.6 | 142.6 | 4.1 | 112.7 | V753 V754 S755 G761 E795 | V753-R757 WeakPolarHBondContact O-CG 3.33Å; V753-R757 PolarHBondContact O-N 3.11Å; V754-R757 PolarHBondContact O-N 3.1Å; V754-R757 VanDerWaalsContact O-N 3.14Å; S755-R757 PolarHBondContact O-N 2.83Å; R757-G761 PolarHBondContact O-N 3.5Å; R757-E795 IonicContact CZ-OE1 3.07Å; R757-E795 IonicContact NE-OE1 3.12Å; R757-E795 IonicContact NE-OE2 2.76Å; R757-E795 IonicContact NH2-OE1 2.74Å; R757-E795 PolarHBondContact NH2-OE1 3.17Å |
| 758 | Y | 90.5 | Very high | 89.8 | Confident | 57 Ų | 57 | 31.2 Ų | 31.2 | 22% | 0.224 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -45.9 | 176.2 | -83.3 | -79.3 | 0 | 0 | 0 | 112.2 | E665 R721 V724 V754 S755 F756 | E665-Y758 WeakPolarHBondContact OE1-CE2 3.44Å; E665-Y758 PolarHBondContact OE1-OH 3.38Å; R721-Y758 VanDerWaalsContact CD-CE2 3.45Å; R721-Y758 HydrophobicContact CG-CD1 3.96Å; R721-Y758 HydrophobicContact CG-CD2 3.56Å; R721-Y758 HydrophobicContact CG-CE1 4.07Å; R721-Y758 HydrophobicContact CG-CE2 3.73Å; R721-Y758 HydrophobicContact CG-CG 3.71Å; R721-Y758 VanDerWaalsContact NE-CE2 3.34Å; R721-Y758 PolarHBondContact NE-OH 3.45Å; R721-Y758 VanDerWaalsContact NE-OH 3.08Å; R721-Y758 PolarHBondContact NH2-OH 3.38Å; V724-Y758 HydrophobicContact CG1-CD1 4.2Å; V754-Y758 HydrophobicContact CG1-CD2 3.98Å; V754-Y758 HydrophobicContact CG1-CE2 3.75Å; V754-Y758 VanDerWaalsContact O-CD2 3.3Å; V754-Y758 WeakPolarHBondContact O-CD2 3.43Å; V754-Y758 PolarHBondContact O-N 3.47Å; S755-Y758 PolarHBondContact O-N 2.88Å; F756-Y758 VanDerWaalsContact C-N 3.28Å; F756-Y758 PolarHBondContact O-N 3.3Å |
| 759 | C | 90.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.2 | -32 | 177.7 | 67.2 | 0 | 0 | 0 | 0 | 112.6 | V720 Y741 S755 F756 G761 E762 C763 | V720-C759 HydrophobicContact CG1-CB 4.23Å; Y741-C759 HydrophobicContact CD2-CB 3.86Å; Y741-C759 HydrophobicContact CE2-CB 4.22Å; Y741-C759 HydrophobicContact CG-CB 4.14Å; S755-C759 PolarHBondContact O-N 3.01Å; F756-C759 PolarHBondContact O-N 2.68Å; F756-C759 PolarHBondContact O-SG 3.49Å; C759-G761 VanDerWaalsContact C-N 3.3Å; C759-G761 PolarHBondContact O-N 3.45Å; C759-E762 PolarHBondContact O-N 3.01Å; C759-C763 PolarHBondContact O-N 3.22Å; C759-C763 PolarHBondContact O-SG 2.86Å; C759-C763 VanDerWaalsContact O-SG 3.37Å |
| 760 | L | 94.2 | Very high | 90 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -40.7 | 179.6 | 179.5 | 62.9 | 0 | 0 | 0 | 112.4 | F756 E762 C763 M764 L780 E795 S796 A799 | F756-L760 HydrophobicContact CD2-CB 4.5Å; F756-L760 HydrophobicContact CE1-CD2 4.07Å; F756-L760 HydrophobicContact CE2-CB 4.1Å; F756-L760 HydrophobicContact CE2-CD1 4.14Å; F756-L760 HydrophobicContact CE2-CD2 4.46Å; F756-L760 HydrophobicContact CE2-CG 4.46Å; F756-L760 HydrophobicContact CZ-CB 4.24Å; F756-L760 HydrophobicContact CZ-CD1 4.03Å; F756-L760 HydrophobicContact CZ-CD2 3.78Å; F756-L760 HydrophobicContact CZ-CG 4.23Å; F756-L760 VanDerWaalsContact O-CB 3.23Å; F756-L760 WeakPolarHBondContact O-CB 3.48Å; F756-L760 PolarHBondContact O-N 3.07Å; L760-E762 VanDerWaalsContact C-N 3.35Å; L760-E762 PolarHBondContact O-N 2.88Å; L760-C763 WeakPolarHBondContact O-CB 3.49Å; L760-C763 PolarHBondContact O-N 3.45Å; L760-M764 HydrophobicContact CD1-CE 3.67Å; L760-M764 HydrophobicContact CD1-CG 3.94Å; L760-M764 HydrophobicContact CD1-SD 4.42Å; L760-M764 HydrophobicContact CG-CG 4.3Å; L760-M764 WeakPolarHBondContact O-CG 3.5Å; L760-M764 PolarHBondContact O-N 3.48Å; L760-L780 HydrophobicContact CD1-CD2 3.86Å; L760-E795 HydrophobicContact CD2-CB 3.94Å; L760-S796 WeakPolarHBondContact CD1-OG 3.49Å; L760-A799 HydrophobicContact CD2-CB 3.97Å; L760-A799 HydrophobicContact CG-CB 4.18Å |
| 761 | G | 89.3 | Confident | 90.2 | Very high | 40 Ų | 40 | 37 Ų | 37 | 41% | 0.412 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.2 | -47.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R757 C759 E765 | R757-G761 PolarHBondContact O-N 3.5Å; C759-G761 VanDerWaalsContact C-N 3.3Å; C759-G761 PolarHBondContact O-N 3.45Å; G761-E765 PolarHBondContact O-N 3.4Å; G761-E765 VanDerWaalsContact O-N 3.17Å |
| 762 | E | 90.4 | Very high | 90.2 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.1 | -38.2 | 177.6 | -64.4 | -164.1 | 141 | 0 | 0 | 112.7 | V724 K737 F738 Y741 C759 L760 M764 E765 K766 | V724-E762 HydrophobicContact CG1-CG 4.27Å; V724-E762 HydrophobicContact CG2-CG 4.35Å; K737-E762 WeakPolarHBondContact CE-OE2 3.38Å; K737-E762 IonicContact NZ-OE1 2.64Å; K737-E762 PolarHBondContact NZ-OE1 3.45Å; K737-E762 IonicContact NZ-OE2 3.76Å; K737-E762 PolarHBondContact NZ-OE2 3.24Å; F738-E762 HydrophobicContact CE1-CB 4.35Å; F738-E762 HydrophobicContact CZ-CB 4.43Å; Y741-E762 WeakPolarHBondContact CE2-OE2 3.42Å; Y741-E762 PolarHBondContact OH-OE2 2.93Å; C759-E762 PolarHBondContact O-N 3.01Å; L760-E762 VanDerWaalsContact C-N 3.35Å; L760-E762 PolarHBondContact O-N 2.88Å; E762-M764 VanDerWaalsContact C-N 3.32Å; E762-M764 PolarHBondContact O-N 3.14Å; E762-E765 PolarHBondContact O-N 2.87Å; E762-K766 WeakPolarHBondContact O-CG 3.48Å; E762-K766 PolarHBondContact O-N 3.48Å |
| 763 | C | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.6 | -49 | 173.3 | -76.2 | 0 | 0 | 0 | 0 | 110.8 | C759 L760 K766 F767 V776 L780 | C759-C763 PolarHBondContact O-N 3.22Å; C759-C763 PolarHBondContact O-SG 2.86Å; C759-C763 VanDerWaalsContact O-SG 3.37Å; L760-C763 WeakPolarHBondContact O-CB 3.49Å; L760-C763 PolarHBondContact O-N 3.45Å; C763-K766 PolarHBondContact O-N 3.2Å; C763-F767 WeakPolarHBondContact O-CA 3.45Å; C763-F767 VanDerWaalsContact O-CB 3.31Å; C763-F767 WeakPolarHBondContact O-CB 3.36Å; C763-F767 PolarHBondContact O-N 3.32Å; C763-V776 HydrophobicContact CB-CG1 3.73Å; C763-L780 HydrophobicContact CB-CD2 4.34Å |
| 764 | M | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -36.7 | -179.2 | -66.6 | -58.9 | 114.2 | 0 | 0 | 112.7 | L760 E762 K766 F767 L780 A799 A800 Q803 T808 | L760-M764 HydrophobicContact CD1-CE 3.67Å; L760-M764 HydrophobicContact CD1-CG 3.94Å; L760-M764 HydrophobicContact CD1-SD 4.42Å; L760-M764 HydrophobicContact CG-CG 4.3Å; L760-M764 WeakPolarHBondContact O-CG 3.5Å; L760-M764 PolarHBondContact O-N 3.48Å; E762-M764 VanDerWaalsContact C-N 3.32Å; E762-M764 PolarHBondContact O-N 3.14Å; M764-K766 VanDerWaalsContact C-N 3.34Å; M764-K766 PolarHBondContact O-N 3.29Å; M764-F767 HydrophobicContact CE-CD1 3.59Å; M764-F767 HydrophobicContact CE-CE1 3.86Å; M764-F767 HydrophobicContact SD-CD1 4.15Å; M764-L780 HydrophobicContact CE-CD1 3.74Å; M764-L780 HydrophobicContact CE-CD2 4.27Å; M764-A799 HydrophobicContact CG-CB 3.81Å; M764-A800 HydrophobicContact SD-CB 3.8Å; M764-Q803 HydrophobicContact CB-CG 4.03Å; M764-T808 HydrophobicContact CB-CG2 4.46Å; M764-T808 WeakPolarHBondContact O-CG2 3.44Å; M764-T808 PolarHBondContact O-OG1 3.49Å; M764-T808 HydrophobicContact SD-CG2 4.3Å |
| 765 | E | 87.7 | Confident | 90.4 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.6 | -161 | -165.1 | 133.5 | 0 | 0 | 111.8 | G761 E762 | G761-E765 PolarHBondContact O-N 3.4Å; G761-E765 VanDerWaalsContact O-N 3.17Å; E762-E765 PolarHBondContact O-N 2.87Å |
| 766 | K | 91.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 15% | 0.148 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -98 | -7.1 | -174.6 | -55 | -50.7 | -178.5 | -162.7 | 0 | 115.1 | Q734 F738 E762 C763 M764 S768 D769 L772 | Q734-K766 VanDerWaalsContact NE2-CE 3.35Å; F738-K766 HydrophobicContact CE2-CB 4.03Å; F738-K766 HydrophobicContact CE2-CG 4.19Å; F738-K766 HydrophobicContact CZ-CB 3.89Å; F738-K766 HydrophobicContact CZ-CG 3.99Å; E762-K766 WeakPolarHBondContact O-CG 3.48Å; E762-K766 PolarHBondContact O-N 3.48Å; C763-K766 PolarHBondContact O-N 3.2Å; M764-K766 VanDerWaalsContact C-N 3.34Å; M764-K766 PolarHBondContact O-N 3.29Å; K766-S768 PolarHBondContact O-N 2.82Å; K766-D769 WeakPolarHBondContact O-CB 3.5Å; K766-D769 PolarHBondContact O-N 2.98Å; K766-L772 HydrophobicContact CB-CD1 4.14Å; K766-L772 HydrophobicContact CG-CD1 4.4Å |
| 767 | F | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -35.9 | -176.3 | -145.3 | 156.4 | 0 | 0 | 0 | 113 | C763 M764 D769 T773 V776 L777 L780 T808 E811 S812 W815 | C763-F767 WeakPolarHBondContact O-CA 3.45Å; C763-F767 VanDerWaalsContact O-CB 3.31Å; C763-F767 WeakPolarHBondContact O-CB 3.36Å; C763-F767 PolarHBondContact O-N 3.32Å; M764-F767 HydrophobicContact CE-CD1 3.59Å; M764-F767 HydrophobicContact CE-CE1 3.86Å; M764-F767 HydrophobicContact SD-CD1 4.15Å; F767-D769 VanDerWaalsContact C-N 3.3Å; F767-D769 PolarHBondContact O-N 2.69Å; F767-T773 HydrophobicContact CD2-CG2 4.12Å; F767-T773 HydrophobicContact CE2-CG2 4.15Å; F767-T773 PolarHBondContact O-OG1 3.19Å; F767-V776 HydrophobicContact CB-CG1 4.25Å; F767-V776 HydrophobicContact CD1-CG1 4.01Å; F767-V776 HydrophobicContact CD2-CB 4.24Å; F767-V776 HydrophobicContact CD2-CG1 3.81Å; F767-V776 HydrophobicContact CE1-CG1 4.3Å; F767-V776 HydrophobicContact CE2-CG1 4.13Å; F767-V776 HydrophobicContact CG-CG1 3.75Å; F767-V776 HydrophobicContact CZ-CG1 4.36Å; F767-L777 HydrophobicContact CE2-CD2 3.61Å; F767-L777 HydrophobicContact CE2-CG 3.85Å; F767-L777 HydrophobicContact CZ-CD2 3.64Å; F767-L777 HydrophobicContact CZ-CG 4.31Å; F767-L780 HydrophobicContact CD1-CD1 4.38Å; F767-L780 HydrophobicContact CE1-CD1 3.61Å; F767-L780 HydrophobicContact CZ-CD1 3.99Å; F767-T808 HydrophobicContact CB-CG2 3.99Å; F767-E811 HydrophobicContact CD2-CB 3.98Å; F767-E811 HydrophobicContact CE2-CB 3.92Å; F767-E811 HydrophobicContact CG-CB 4.39Å; F767-E811 HydrophobicContact CZ-CB 4.29Å; F767-S812 WeakPolarHBondContact CD1-OG 3.28Å; F767-S812 WeakPolarHBondContact CE1-OG 3.2Å; F767-W815 HydrophobicContact CZ-CB 3.86Å; F767-W815 HydrophobicContact CZ-CG 4.28Å |
| 768 | S | 86.9 | Confident | 90.5 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.1 | -178.8 | 68.6 | 0 | 0 | 0 | 0 | 115.4 | K766 P770 N805 K807 | K766-S768 PolarHBondContact O-N 2.82Å; S768-P770 WeakPolarHBondContact O-CD 3.5Å; S768-N805 VanDerWaalsContact CB-ND2 3.27Å; S768-N805 WeakPolarHBondContact CB-ND2 3.32Å; S768-N805 PolarHBondContact OG-ND2 3.18Å; S768-K807 PolarHBondContact O-NZ 3.2Å; S768-K807 VanDerWaalsContact O-NZ 3.09Å |
| 769 | D | 87.9 | Confident | 90.7 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | trans | -77.6 | 114.5 | -179.2 | -171.8 | -34.3 | 0 | 0 | 0 | 110.8 | K766 F767 K771 L772 T773 | K766-D769 WeakPolarHBondContact O-CB 3.5Å; K766-D769 PolarHBondContact O-N 2.98Å; F767-D769 VanDerWaalsContact C-N 3.3Å; F767-D769 PolarHBondContact O-N 2.69Å; D769-K771 PolarHBondContact O-N 3.44Å; D769-K771 PolarHBondContact OD1-N 3.07Å; D769-L772 HydrophobicContact CB-CB 4.25Å; D769-L772 HydrophobicContact CB-CD1 4.2Å; D769-L772 HydrophobicContact CB-CG 4.44Å; D769-L772 CarbonylContact O-C 3.19Å; D769-L772 PolarHBondContact O-N 3.21Å; D769-T773 PolarHBondContact O-N 3.38Å; D769-T773 PolarHBondContact O-OG1 3.13Å | ||
| 770 | P | 80.5 | Confident | 91 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 68% | 0.682 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.4 | -176.1 | -20.9 | 30.9 | 0 | 0 | 0 | 115 | S768 L772 | S768-P770 WeakPolarHBondContact O-CD 3.5Å; P770-L772 VanDerWaalsContact C-N 3.34Å |
| 771 | K | 83.6 | Confident | 91 | Very high | 129 Ų | 129 | 39.1 Ų | 39.1 | 56% | 0.561 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -20 | 178.7 | -64.9 | -176.1 | 177.6 | -175.2 | 0 | 112.6 | F731 D769 | F731-K771 HydrophobicContact CD2-CD 4.02Å; F731-K771 HydrophobicContact CE2-CD 4.26Å; F731-K771 HydrophobicContact CG-CD 4.25Å; D769-K771 PolarHBondContact O-N 3.44Å; D769-K771 PolarHBondContact OD1-N 3.07Å |
| 772 | L | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -18.2 | -174.4 | -59.5 | 169.9 | 0 | 0 | 0 | 112.9 | Q734 S735 F738 K766 D769 P770 G774 H775 V776 | Q734-L772 HydrophobicContact CB-CD1 4.12Å; Q734-L772 HydrophobicContact CB-CD2 4.13Å; S735-L772 VanDerWaalsContact OG-CD2 3.3Å; S735-L772 WeakPolarHBondContact OG-CD2 3.46Å; F738-L772 HydrophobicContact CD2-CD2 4.42Å; F738-L772 HydrophobicContact CE2-CD1 4.44Å; K766-L772 HydrophobicContact CB-CD1 4.14Å; K766-L772 HydrophobicContact CG-CD1 4.4Å; D769-L772 HydrophobicContact CB-CB 4.25Å; D769-L772 HydrophobicContact CB-CD1 4.2Å; D769-L772 HydrophobicContact CB-CG 4.44Å; D769-L772 CarbonylContact O-C 3.19Å; D769-L772 PolarHBondContact O-N 3.21Å; P770-L772 VanDerWaalsContact C-N 3.34Å; L772-G774 VanDerWaalsContact C-N 3.26Å; L772-G774 PolarHBondContact O-N 3.42Å; L772-G774 VanDerWaalsContact O-N 3.17Å; L772-H775 WeakPolarHBondContact O-CA 3.44Å; L772-H775 WeakPolarHBondContact O-CB 3.16Å; L772-H775 PolarHBondContact O-N 3.47Å; L772-V776 PolarHBondContact O-N 2.91Å |
| 773 | T | 90.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -48.1 | -46.8 | -179.9 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | F767 D769 H775 V776 L777 | F767-T773 HydrophobicContact CD2-CG2 4.12Å; F767-T773 HydrophobicContact CE2-CG2 4.15Å; F767-T773 PolarHBondContact O-OG1 3.19Å; D769-T773 PolarHBondContact O-N 3.38Å; D769-T773 PolarHBondContact O-OG1 3.13Å; T773-H775 PolarHBondContact O-N 3.04Å; T773-V776 PolarHBondContact O-N 3.48Å; T773-L777 HydrophobicContact CG2-CD1 4.02Å; T773-L777 HydrophobicContact CG2-CG 4.37Å; T773-L777 VanDerWaalsContact O-CG 3.27Å; T773-L777 WeakPolarHBondContact O-CG 3.32Å; T773-L777 PolarHBondContact O-N 2.95Å |
| 774 | G | 90.5 | Very high | 91.3 | Very high | 40 Ų | 40 | 36 Ų | 36 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.2 | -35.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L772 R778 | L772-G774 VanDerWaalsContact C-N 3.26Å; L772-G774 PolarHBondContact O-N 3.42Å; L772-G774 VanDerWaalsContact O-N 3.17Å; G774-R778 WeakPolarHBondContact O-CB 3.31Å; G774-R778 PolarHBondContact O-N 3.33Å |
| 775 | H | 92.1 | Very high | 91.1 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 22% | 0.222 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.8 | -39.7 | 175.6 | -67.7 | -90 | 0 | 0 | 0 | 111.6 | S735 F738 L772 T773 R778 T779 | S735-H775 PolarHBondContact OG-NE2 3.28Å; F738-H775 HydrophobicContact CB-CB 3.83Å; F738-H775 HydrophobicContact CD2-CB 4.41Å; F738-H775 HydrophobicContact CG-CB 4.39Å; L772-H775 WeakPolarHBondContact O-CA 3.44Å; L772-H775 WeakPolarHBondContact O-CB 3.16Å; L772-H775 PolarHBondContact O-N 3.47Å; T773-H775 PolarHBondContact O-N 3.04Å; H775-R778 PolarHBondContact O-N 3.16Å; H775-T779 WeakPolarHBondContact O-CB 3.37Å; H775-T779 PolarHBondContact O-N 3.25Å; H775-T779 PolarHBondContact O-OG1 2.99Å |
| 776 | V | 95.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | F738 C763 F767 L772 T773 R778 T779 L780 | F738-V776 HydrophobicContact CD1-CG2 4.4Å; F738-V776 HydrophobicContact CD2-CG2 4.4Å; F738-V776 HydrophobicContact CE1-CG2 4.09Å; F738-V776 HydrophobicContact CE2-CG2 4.06Å; F738-V776 HydrophobicContact CZ-CG2 3.91Å; C763-V776 HydrophobicContact CB-CG1 3.73Å; F767-V776 HydrophobicContact CB-CG1 4.25Å; F767-V776 HydrophobicContact CD1-CG1 4.01Å; F767-V776 HydrophobicContact CD2-CB 4.24Å; F767-V776 HydrophobicContact CD2-CG1 3.81Å; F767-V776 HydrophobicContact CE1-CG1 4.3Å; F767-V776 HydrophobicContact CE2-CG1 4.13Å; F767-V776 HydrophobicContact CG-CG1 3.75Å; F767-V776 HydrophobicContact CZ-CG1 4.36Å; L772-V776 PolarHBondContact O-N 2.91Å; T773-V776 PolarHBondContact O-N 3.48Å; V776-R778 VanDerWaalsContact C-N 3.34Å; V776-R778 PolarHBondContact O-N 2.9Å; V776-T779 PolarHBondContact O-N 3.38Å; V776-T779 VanDerWaalsContact O-N 3.16Å; V776-L780 HydrophobicContact CG1-CD1 4.16Å; V776-L780 HydrophobicContact CG1-CG 4.43Å; V776-L780 WeakPolarHBondContact O-CG 3.37Å; V776-L780 PolarHBondContact O-N 3.37Å |
| 777 | L | 92.8 | Very high | 91.1 | Very high | 43 Ų | 43 | 35 Ų | 35 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.4 | -50.7 | 175.5 | -72.8 | 168.8 | 0 | 0 | 0 | 111.1 | F767 T773 T779 L780 T781 W815 | F767-L777 HydrophobicContact CE2-CD2 3.61Å; F767-L777 HydrophobicContact CE2-CG 3.85Å; F767-L777 HydrophobicContact CZ-CD2 3.64Å; F767-L777 HydrophobicContact CZ-CG 4.31Å; T773-L777 HydrophobicContact CG2-CD1 4.02Å; T773-L777 HydrophobicContact CG2-CG 4.37Å; T773-L777 VanDerWaalsContact O-CG 3.27Å; T773-L777 WeakPolarHBondContact O-CG 3.32Å; T773-L777 PolarHBondContact O-N 2.95Å; L777-T779 VanDerWaalsContact C-N 3.3Å; L777-T779 PolarHBondContact O-N 3.09Å; L777-L780 PolarHBondContact O-N 3.06Å; L777-T781 PolarHBondContact O-N 3Å; L777-T781 PolarHBondContact O-OG1 3.25Å; L777-T781 VanDerWaalsContact O-OG1 3.13Å; L777-W815 HydrophobicContact CD2-CB 3.55Å; L777-W815 HydrophobicContact CD2-CG 3.69Å |
| 778 | R | 93.7 | Very high | 90.9 | Very high | 146 Ų | 146 | 37.2 Ų | 37.2 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.8 | -39.5 | 179 | -162.3 | -175.4 | -66.1 | 136.3 | -1 | 112.2 | G774 H775 V776 A782 | G774-R778 WeakPolarHBondContact O-CB 3.31Å; G774-R778 PolarHBondContact O-N 3.33Å; H775-R778 PolarHBondContact O-N 3.16Å; V776-R778 VanDerWaalsContact C-N 3.34Å; V776-R778 PolarHBondContact O-N 2.9Å; R778-A782 WeakPolarHBondContact O-CB 3.43Å; R778-A782 PolarHBondContact O-N 3.49Å |
| 779 | T | 95.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.1 | -45.8 | 178.3 | -53.8 | 0 | 0 | 0 | 0 | 111.6 | F738 H775 V776 L777 A782 C783 | F738-T779 PolarHBondContact O-OG1 3.19Å; H775-T779 WeakPolarHBondContact O-CB 3.37Å; H775-T779 PolarHBondContact O-N 3.25Å; H775-T779 PolarHBondContact O-OG1 2.99Å; V776-T779 PolarHBondContact O-N 3.38Å; V776-T779 VanDerWaalsContact O-N 3.16Å; L777-T779 VanDerWaalsContact C-N 3.3Å; L777-T779 PolarHBondContact O-N 3.09Å; T779-A782 WeakPolarHBondContact O-CB 3.49Å; T779-A782 PolarHBondContact O-N 3.24Å; T779-C783 PolarHBondContact O-N 3.41Å; T779-C783 PolarHBondContact O-SG 2.94Å |
| 780 | L | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.6 | -42 | 178 | -68.4 | 174.9 | 0 | 0 | 0 | 111.7 | F756 L760 C763 M764 F767 V776 L777 A782 C783 V784 W815 | F756-L780 HydrophobicContact CE2-CD2 4.26Å; L760-L780 HydrophobicContact CD1-CD2 3.86Å; C763-L780 HydrophobicContact CB-CD2 4.34Å; M764-L780 HydrophobicContact CE-CD1 3.74Å; M764-L780 HydrophobicContact CE-CD2 4.27Å; F767-L780 HydrophobicContact CD1-CD1 4.38Å; F767-L780 HydrophobicContact CE1-CD1 3.61Å; F767-L780 HydrophobicContact CZ-CD1 3.99Å; V776-L780 HydrophobicContact CG1-CD1 4.16Å; V776-L780 HydrophobicContact CG1-CG 4.43Å; V776-L780 WeakPolarHBondContact O-CG 3.37Å; V776-L780 PolarHBondContact O-N 3.37Å; L777-L780 PolarHBondContact O-N 3.06Å; L780-A782 VanDerWaalsContact C-N 3.35Å; L780-A782 PolarHBondContact O-N 2.88Å; L780-C783 WeakPolarHBondContact O-CB 3.42Å; L780-C783 PolarHBondContact O-N 3.36Å; L780-C783 VanDerWaalsContact O-N 3.12Å; L780-V784 WeakPolarHBondContact O-CG2 3.48Å; L780-V784 PolarHBondContact O-N 3.43Å; L780-W815 HydrophobicContact CB-CD2 4.32Å; L780-W815 HydrophobicContact CB-CH2 4.18Å; L780-W815 HydrophobicContact CB-CZ2 3.54Å; L780-W815 HydrophobicContact CD1-CD2 4.06Å; L780-W815 HydrophobicContact CD1-CE3 4.22Å |
| 781 | T | 94.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | L777 C783 V784 E785 W815 F823 | L777-T781 PolarHBondContact O-N 3Å; L777-T781 PolarHBondContact O-OG1 3.25Å; L777-T781 VanDerWaalsContact O-OG1 3.13Å; T781-C783 VanDerWaalsContact C-N 3.3Å; T781-C783 PolarHBondContact O-N 3.31Å; T781-V784 WeakPolarHBondContact O-CB 3.49Å; T781-V784 PolarHBondContact O-N 3.02Å; T781-V784 VanDerWaalsContact O-N 3.13Å; T781-E785 PolarHBondContact O-N 3.16Å; T781-E785 VanDerWaalsContact O-N 3.17Å; T781-W815 PolarHBondContact OG1-NE1 2.97Å; T781-F823 HydrophobicContact CG2-CE2 3.93Å; T781-F823 HydrophobicContact CG2-CZ 3.99Å |
| 782 | A | 93.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A745 Q746 R778 T779 L780 V784 E785 A786 | A745-A782 HydrophobicContact CB-CB 3.94Å; Q746-A782 HydrophobicContact CG-CB 3.76Å; R778-A782 WeakPolarHBondContact O-CB 3.43Å; R778-A782 PolarHBondContact O-N 3.49Å; T779-A782 WeakPolarHBondContact O-CB 3.49Å; T779-A782 PolarHBondContact O-N 3.24Å; L780-A782 VanDerWaalsContact C-N 3.35Å; L780-A782 PolarHBondContact O-N 2.88Å; A782-V784 VanDerWaalsContact C-N 3.32Å; A782-V784 PolarHBondContact O-N 2.86Å; A782-E785 PolarHBondContact O-N 3.05Å; A782-A786 PolarHBondContact O-N 2.95Å |
| 783 | C | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -33.5 | 174.4 | -63 | 0 | 0 | 0 | 0 | 112.2 | F751 F756 T779 L780 T781 A786 L787 V792 | F751-C783 HydrophobicContact CE1-CB 4.31Å; F756-C783 HydrophobicContact CD2-CB 3.72Å; F756-C783 HydrophobicContact CE2-CB 4.01Å; T779-C783 PolarHBondContact O-N 3.41Å; T779-C783 PolarHBondContact O-SG 2.94Å; L780-C783 WeakPolarHBondContact O-CB 3.42Å; L780-C783 PolarHBondContact O-N 3.36Å; L780-C783 VanDerWaalsContact O-N 3.12Å; T781-C783 VanDerWaalsContact C-N 3.3Å; T781-C783 PolarHBondContact O-N 3.31Å; C783-A786 PolarHBondContact O-N 3.26Å; C783-L787 WeakPolarHBondContact O-CB 3.49Å; C783-L787 PolarHBondContact O-N 3.09Å; C783-V792 HydrophobicContact CB-CG1 4.43Å; C783-V792 HydrophobicContact CB-CG2 4.3Å |
| 784 | V | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 174 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | L780 T781 A782 L787 I789 V792 W815 F823 S900 | L780-V784 WeakPolarHBondContact O-CG2 3.48Å; L780-V784 PolarHBondContact O-N 3.43Å; T781-V784 WeakPolarHBondContact O-CB 3.49Å; T781-V784 PolarHBondContact O-N 3.02Å; T781-V784 VanDerWaalsContact O-N 3.13Å; A782-V784 VanDerWaalsContact C-N 3.32Å; A782-V784 PolarHBondContact O-N 2.86Å; V784-L787 CarbonylContact O-C 3.59Å; V784-I789 HydrophobicContact CG1-CB 3.76Å; V784-I789 HydrophobicContact CG1-CG1 4.34Å; V784-V792 HydrophobicContact CG2-CB 3.85Å; V784-V792 HydrophobicContact CG2-CG1 3.75Å; V784-V792 HydrophobicContact CG2-CG2 4.25Å; V784-W815 HydrophobicContact CG2-CH2 4.08Å; V784-W815 HydrophobicContact CG2-CZ2 3.86Å; V784-F823 HydrophobicContact CB-CE1 4.31Å; V784-F823 HydrophobicContact CB-CE2 4.25Å; V784-F823 HydrophobicContact CB-CZ 4.06Å; V784-F823 HydrophobicContact CG1-CD1 3.64Å; V784-F823 HydrophobicContact CG1-CD2 3.85Å; V784-F823 HydrophobicContact CG1-CE1 3.64Å; V784-F823 HydrophobicContact CG1-CE2 3.88Å; V784-F823 HydrophobicContact CG1-CG 3.75Å; V784-F823 HydrophobicContact CG1-CZ 3.77Å; V784-S900 PolarHBondContact O-OG 3.47Å |
| 785 | E | 89.9 | Confident | 92.8 | Very high | 50 Ų | 50 | 26 Ų | 26 | 23% | 0.234 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.3 | -67.6 | 169.3 | 176.1 | 0 | 0 | 111.4 | T781 A782 F823 R898 | T781-E785 PolarHBondContact O-N 3.16Å; T781-E785 VanDerWaalsContact O-N 3.17Å; A782-E785 PolarHBondContact O-N 3.05Å; E785-F823 HydrophobicContact CG-CE1 3.68Å; E785-F823 HydrophobicContact CG-CZ 3.66Å; E785-R898 IonicContact OE1-CZ 2.84Å; E785-R898 IonicContact OE1-NH1 2.89Å; E785-R898 PolarHBondContact OE1-NH1 2.84Å |
| 786 | A | 88.9 | Confident | 93 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 19% | 0.19 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.4 | -34.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A745 F751 A782 C783 | A745-A786 HydrophobicContact CB-CB 4.48Å; A745-A786 WeakPolarHBondContact O-CB 3.32Å; F751-A786 HydrophobicContact CB-CB 4.44Å; F751-A786 HydrophobicContact CD1-CB 3.79Å; F751-A786 HydrophobicContact CE1-CB 4.49Å; F751-A786 HydrophobicContact CG-CB 4.4Å; A782-A786 PolarHBondContact O-N 2.95Å; C783-A786 PolarHBondContact O-N 3.26Å |
| 787 | L | 90.9 | Very high | 92.9 | Very high | 35 Ų | 35 | 23.7 Ų | 23.7 | 18% | 0.183 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -114.1 | -111.5 | -175.7 | -60.6 | 174.4 | 0 | 0 | 0 | 110.5 | F751 V753 F756 C783 V784 L791 V792 | F751-L787 HydrophobicContact CD1-CG 4.5Å; F751-L787 HydrophobicContact CE1-CD1 4.41Å; V753-L787 HydrophobicContact CG2-CD2 4.49Å; F756-L787 HydrophobicContact CB-CD1 3.64Å; F756-L787 HydrophobicContact CD1-CD1 4.12Å; F756-L787 HydrophobicContact CG-CD1 3.92Å; C783-L787 WeakPolarHBondContact O-CB 3.49Å; C783-L787 PolarHBondContact O-N 3.09Å; V784-L787 CarbonylContact O-C 3.59Å; L787-L791 HydrophobicContact CB-CD2 4.48Å; L787-L791 HydrophobicContact CD1-CD2 4.11Å; L787-V792 HydrophobicContact CB-CG2 4.26Å; L787-V792 HydrophobicContact CD1-CG2 4.36Å |
| 788 | S | 89.3 | Confident | 93 | Very high | 45 Ų | 45 | 25.3 Ų | 25.3 | 32% | 0.315 | 13% | 0.126 | S | C | . | . | trans | -152.6 | 151.3 | 174.9 | 64 | 0 | 0 | 0 | 0 | 110.1 | S790 L791 V792 | S788-S790 VanDerWaalsContact C-N 3.27Å; S788-S790 PolarHBondContact O-N 3.25Å; S788-L791 PolarHBondContact O-N 2.77Å; S788-L791 PolarHBondContact OG-N 2.69Å; S788-V792 WeakPolarHBondContact O-CG2 3.37Å; S788-V792 PolarHBondContact O-N 2.95Å; S788-V792 VanDerWaalsContact O-N 3.16Å | ||
| 789 | I | 92.4 | Very high | 93 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 177.1 | -171.8 | 159.3 | 0 | 0 | 0 | 111.9 | V784 L791 A793 A819 I820 F823 A826 V827 | V784-I789 HydrophobicContact CG1-CB 3.76Å; V784-I789 HydrophobicContact CG1-CG1 4.34Å; I789-L791 PolarHBondContact O-N 2.94Å; I789-A793 WeakPolarHBondContact O-CB 3.34Å; I789-A793 PolarHBondContact O-N 3.14Å; I789-A819 HydrophobicContact CD1-CB 4.32Å; I789-I820 HydrophobicContact CD1-CG1 4.05Å; I789-F823 HydrophobicContact CB-CB 4.44Å; I789-F823 HydrophobicContact CD1-CB 3.77Å; I789-F823 HydrophobicContact CD1-CG 4.45Å; I789-A826 HydrophobicContact CG2-CB 4.37Å; I789-A826 WeakPolarHBondContact CG2-O 3.49Å; I789-V827 HydrophobicContact CG1-CG1 3.97Å; I789-V827 HydrophobicContact CG2-CG1 4.15Å |
| 790 | S | 91.3 | Very high | 92.9 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 26% | 0.259 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 179.9 | -166.9 | 0 | 0 | 0 | 0 | 112.5 | S788 D794 D828 | S788-S790 VanDerWaalsContact C-N 3.27Å; S788-S790 PolarHBondContact O-N 3.25Å; S790-D794 WeakPolarHBondContact O-CB 3.48Å; S790-D794 PolarHBondContact O-N 3.38Å; S790-D828 PolarHBondContact OG-N 2.85Å; S790-D828 VanDerWaalsContact OG-N 3.13Å |
| 791 | L | 91.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 20.7 Ų | 20.7 | 25% | 0.246 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.9 | -48.7 | -179.6 | 176.3 | 66.6 | 0 | 0 | 0 | 111.7 | V753 L787 S788 I789 D794 E795 | V753-L791 HydrophobicContact CB-CD2 4.34Å; V753-L791 HydrophobicContact CG1-CD2 4.04Å; V753-L791 HydrophobicContact CG2-CD2 3.53Å; L787-L791 HydrophobicContact CB-CD2 4.48Å; L787-L791 HydrophobicContact CD1-CD2 4.11Å; S788-L791 PolarHBondContact O-N 2.77Å; S788-L791 PolarHBondContact OG-N 2.69Å; I789-L791 PolarHBondContact O-N 2.94Å; L791-D794 PolarHBondContact O-N 3.42Å; L791-E795 HydrophobicContact CD1-CG 3.96Å; L791-E795 WeakPolarHBondContact O-CB 3.37Å; L791-E795 WeakPolarHBondContact O-CG 3.24Å; L791-E795 PolarHBondContact O-N 3.32Å; L791-E795 VanDerWaalsContact O-N 3.07Å |
| 792 | V | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -38.4 | -174.6 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | F756 C783 V784 L787 S788 S796 W815 | F756-V792 HydrophobicContact CE1-CG1 4.48Å; F756-V792 HydrophobicContact CE1-CG2 4.28Å; F756-V792 HydrophobicContact CE2-CG1 3.8Å; F756-V792 HydrophobicContact CE2-CG2 4.35Å; F756-V792 HydrophobicContact CZ-CB 4.1Å; F756-V792 HydrophobicContact CZ-CG1 3.63Å; F756-V792 HydrophobicContact CZ-CG2 4.13Å; C783-V792 HydrophobicContact CB-CG1 4.43Å; C783-V792 HydrophobicContact CB-CG2 4.3Å; V784-V792 HydrophobicContact CG2-CB 3.85Å; V784-V792 HydrophobicContact CG2-CG1 3.75Å; V784-V792 HydrophobicContact CG2-CG2 4.25Å; L787-V792 HydrophobicContact CB-CG2 4.26Å; L787-V792 HydrophobicContact CD1-CG2 4.36Å; S788-V792 WeakPolarHBondContact O-CG2 3.37Å; S788-V792 PolarHBondContact O-N 2.95Å; S788-V792 VanDerWaalsContact O-N 3.16Å; V792-S796 WeakPolarHBondContact O-CB 3.27Å; V792-S796 PolarHBondContact O-N 3.47Å; V792-S796 PolarHBondContact O-OG 2.9Å; V792-W815 HydrophobicContact CG1-CH2 3.74Å; V792-W815 HydrophobicContact CG1-CZ2 4.4Å |
| 793 | A | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I789 L797 L816 V827 L832 | I789-A793 WeakPolarHBondContact O-CB 3.34Å; I789-A793 PolarHBondContact O-N 3.14Å; A793-L797 WeakPolarHBondContact O-CB 3.35Å; A793-L797 PolarHBondContact O-N 2.95Å; A793-L816 HydrophobicContact CB-CD1 3.42Å; A793-L816 VanDerWaalsContact CB-CD1 3.42Å; A793-L816 HydrophobicContact CB-CD2 3.92Å; A793-L816 HydrophobicContact CB-CG 4.35Å; A793-V827 HydrophobicContact CB-CG1 4.35Å; A793-L832 HydrophobicContact CB-CD1 4.25Å |
| 794 | D | 93.7 | Very high | 91.7 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -52.1 | -177.9 | -171.2 | 76.3 | 0 | 0 | 0 | 111.8 | S790 L791 S796 R798 S831 H835 | S790-D794 WeakPolarHBondContact O-CB 3.48Å; S790-D794 PolarHBondContact O-N 3.38Å; L791-D794 PolarHBondContact O-N 3.42Å; D794-S796 PolarHBondContact O-N 2.99Å; D794-R798 WeakPolarHBondContact O-CB 3.49Å; D794-R798 PolarHBondContact O-N 3.3Å; D794-R798 IonicContact OD2-CZ 2.98Å; D794-R798 IonicContact OD2-NE 3.23Å; D794-R798 IonicContact OD2-NH2 3.31Å; D794-R798 PolarHBondContact OD2-NH2 2.87Å; D794-S831 VanDerWaalsContact OD1-CB 3.31Å; D794-S831 WeakPolarHBondContact OD1-CB 3.45Å; D794-S831 PolarHBondContact OD1-OG 2.71Å; D794-H835 IonicContact OD1-CD2 3.29Å; D794-H835 PolarHBondContact OD1-CD2 2.85Å; D794-H835 IonicContact OD1-NE2 2.77Å |
| 795 | E | 94.1 | Very high | 91.4 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.5 | -69.2 | -82.1 | 161.6 | 0 | 0 | 111.7 | F756 R757 L760 L791 R798 A799 | F756-E795 HydrophobicContact CE1-CB 3.72Å; F756-E795 HydrophobicContact CE1-CG 4.16Å; F756-E795 HydrophobicContact CZ-CB 4.27Å; R757-E795 IonicContact CZ-OE1 3.07Å; R757-E795 IonicContact NE-OE1 3.12Å; R757-E795 IonicContact NE-OE2 2.76Å; R757-E795 IonicContact NH2-OE1 2.74Å; R757-E795 PolarHBondContact NH2-OE1 3.17Å; L760-E795 HydrophobicContact CD2-CB 3.94Å; L791-E795 HydrophobicContact CD1-CG 3.96Å; L791-E795 WeakPolarHBondContact O-CB 3.37Å; L791-E795 WeakPolarHBondContact O-CG 3.24Å; L791-E795 PolarHBondContact O-N 3.32Å; L791-E795 VanDerWaalsContact O-N 3.07Å; E795-R798 PolarHBondContact O-N 3.38Å; E795-R798 IonicContact OE1-CZ 2.71Å; E795-R798 IonicContact OE1-NH1 3.25Å; E795-R798 PolarHBondContact OE1-NH1 3.28Å; E795-R798 IonicContact OE1-NH2 3.78Å; E795-R798 PolarHBondContact OE1-NH2 3.1Å; E795-R798 IonicContact OE2-CZ 3.53Å; E795-R798 IonicContact OE2-NH1 2.99Å; E795-R798 PolarHBondContact OE2-NH1 2.9Å; E795-R798 IonicContact OE2-NH2 2.75Å; E795-A799 WeakPolarHBondContact O-CB 3.41Å; E795-A799 PolarHBondContact O-N 2.85Å |
| 796 | S | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.9 | -44.8 | -179.2 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | L760 V792 D794 R798 A799 A800 | L760-S796 WeakPolarHBondContact CD1-OG 3.49Å; V792-S796 WeakPolarHBondContact O-CB 3.27Å; V792-S796 PolarHBondContact O-N 3.47Å; V792-S796 PolarHBondContact O-OG 2.9Å; D794-S796 PolarHBondContact O-N 2.99Å; S796-R798 VanDerWaalsContact C-N 3.34Å; S796-A799 PolarHBondContact O-N 3.47Å; S796-A800 WeakPolarHBondContact O-CB 3.32Å; S796-A800 PolarHBondContact O-N 3.24Å |
| 797 | L | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 175.4 | -73.8 | -166.5 | 0 | 0 | 0 | 111.8 | A793 A800 M801 F813 L816 L832 H835 L854 | A793-L797 WeakPolarHBondContact O-CB 3.35Å; A793-L797 PolarHBondContact O-N 2.95Å; L797-A800 PolarHBondContact O-N 3.02Å; L797-M801 WeakPolarHBondContact O-CB 3.42Å; L797-M801 VanDerWaalsContact O-CG 3.23Å; L797-M801 WeakPolarHBondContact O-CG 3.42Å; L797-M801 PolarHBondContact O-N 3Å; L797-F813 HydrophobicContact CD1-CD1 4.07Å; L797-F813 HydrophobicContact CD1-CE1 3.71Å; L797-F813 HydrophobicContact CD2-CD1 3.76Å; L797-F813 HydrophobicContact CD2-CE1 3.9Å; L797-F813 HydrophobicContact CD2-CG 4.24Å; L797-F813 HydrophobicContact CD2-CZ 4.49Å; L797-F813 HydrophobicContact CG-CE1 4.46Å; L797-L816 HydrophobicContact CD1-CD2 3.7Å; L797-L816 HydrophobicContact CD2-CD2 4.46Å; L797-L816 HydrophobicContact CG-CD2 3.96Å; L797-L832 HydrophobicContact CD1-CD1 3.59Å; L797-L832 HydrophobicContact CD1-CG 4.4Å; L797-L832 HydrophobicContact CG-CD1 4.43Å; L797-H835 HydrophobicContact CB-CB 3.91Å; L797-H835 HydrophobicContact CD1-CB 4.04Å; L797-L854 HydrophobicContact CD1-CD2 4.31Å |
| 798 | R | 94.3 | Very high | 91.6 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -52.6 | 174.5 | -177.3 | 158.9 | 14.5 | 90.3 | -7.3 | 111.4 | D794 E795 S796 A800 M801 E802 H835 | D794-R798 WeakPolarHBondContact O-CB 3.49Å; D794-R798 PolarHBondContact O-N 3.3Å; D794-R798 IonicContact OD2-CZ 2.98Å; D794-R798 IonicContact OD2-NE 3.23Å; D794-R798 IonicContact OD2-NH2 3.31Å; D794-R798 PolarHBondContact OD2-NH2 2.87Å; E795-R798 PolarHBondContact O-N 3.38Å; E795-R798 IonicContact OE1-CZ 2.71Å; E795-R798 IonicContact OE1-NH1 3.25Å; E795-R798 PolarHBondContact OE1-NH1 3.28Å; E795-R798 IonicContact OE1-NH2 3.78Å; E795-R798 PolarHBondContact OE1-NH2 3.1Å; E795-R798 IonicContact OE2-CZ 3.53Å; E795-R798 IonicContact OE2-NH1 2.99Å; E795-R798 PolarHBondContact OE2-NH1 2.9Å; E795-R798 IonicContact OE2-NH2 2.75Å; S796-R798 VanDerWaalsContact C-N 3.34Å; R798-A800 PolarHBondContact O-N 3.49Å; R798-M801 PolarHBondContact O-N 2.6Å; R798-E802 WeakPolarHBondContact O-CG 3.18Å; R798-E802 PolarHBondContact O-N 2.81Å; R798-H835 VanDerWaalsContact CB-CE1 3.41Å; R798-H835 WeakPolarHBondContact CB-CE1 3.43Å |
| 799 | A | 93.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 42 Ų | 42 | 15% | 0.149 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L760 M764 E795 S796 M801 E802 Q803 | L760-A799 HydrophobicContact CD2-CB 3.97Å; L760-A799 HydrophobicContact CG-CB 4.18Å; M764-A799 HydrophobicContact CG-CB 3.81Å; E795-A799 WeakPolarHBondContact O-CB 3.41Å; E795-A799 PolarHBondContact O-N 2.85Å; S796-A799 PolarHBondContact O-N 3.47Å; A799-M801 PolarHBondContact O-N 3.3Å; A799-E802 PolarHBondContact O-N 2.81Å; A799-Q803 WeakPolarHBondContact O-CG 3.41Å; A799-Q803 PolarHBondContact O-N 3.12Å |
| 800 | A | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M764 S796 L797 R798 E802 Q803 Q809 S812 | M764-A800 HydrophobicContact SD-CB 3.8Å; S796-A800 WeakPolarHBondContact O-CB 3.32Å; S796-A800 PolarHBondContact O-N 3.24Å; L797-A800 PolarHBondContact O-N 3.02Å; R798-A800 PolarHBondContact O-N 3.49Å; A800-E802 PolarHBondContact O-N 2.95Å; A800-Q803 WeakPolarHBondContact O-CB 3.39Å; A800-Q803 PolarHBondContact O-N 3.36Å; A800-Q803 VanDerWaalsContact O-N 3.08Å; A800-Q809 WeakPolarHBondContact O-CG 3.33Å; A800-S812 VanDerWaalsContact CB-OG 3.28Å; A800-S812 WeakPolarHBondContact CB-OG 3.38Å |
| 801 | M | 91.4 | Very high | 92.1 | Very high | 32 Ų | 32 | 43 Ų | 43 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -22.8 | 178 | -69.9 | -48.3 | 108.2 | 0 | 0 | 112.8 | L797 R798 A799 Q803 Q809 F813 K838 | L797-M801 WeakPolarHBondContact O-CB 3.42Å; L797-M801 VanDerWaalsContact O-CG 3.23Å; L797-M801 WeakPolarHBondContact O-CG 3.42Å; L797-M801 PolarHBondContact O-N 3Å; R798-M801 PolarHBondContact O-N 2.6Å; A799-M801 PolarHBondContact O-N 3.3Å; M801-Q803 VanDerWaalsContact C-N 3.34Å; M801-Q809 HydrophobicContact CE-CB 3.9Å; M801-Q809 HydrophobicContact CE-CG 3.9Å; M801-Q809 HydrophobicContact SD-CG 4.39Å; M801-F813 HydrophobicContact CE-CD2 3.94Å; M801-F813 HydrophobicContact CE-CE2 3.16Å; M801-F813 HydrophobicContact CE-CZ 3.51Å; M801-F813 HydrophobicContact SD-CE2 3.94Å; M801-F813 HydrophobicContact SD-CZ 4.05Å; M801-K838 HydrophobicContact CG-CB 4.32Å; M801-K838 HydrophobicContact SD-CB 4.35Å |
| 802 | E | 89.8 | Confident | 92.4 | Very high | 147 Ų | 147 | 40.7 Ų | 40.7 | 69% | 0.687 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -78.3 | -20 | 171.9 | -69.8 | 173.8 | -175.1 | 0 | 0 | 112.6 | R798 A799 A800 | R798-E802 WeakPolarHBondContact O-CG 3.18Å; R798-E802 PolarHBondContact O-N 2.81Å; A799-E802 PolarHBondContact O-N 2.81Å; A800-E802 PolarHBondContact O-N 2.95Å |
| 803 | Q | 87.4 | Confident | 92.5 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 29% | 0.29 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -70.3 | 139.3 | 174.6 | -62 | -55.7 | -39.9 | 0 | 0 | 111.5 | M764 A799 A800 M801 N805 T808 Q809 | M764-Q803 HydrophobicContact CB-CG 4.03Å; A799-Q803 WeakPolarHBondContact O-CG 3.41Å; A799-Q803 PolarHBondContact O-N 3.12Å; A800-Q803 WeakPolarHBondContact O-CB 3.39Å; A800-Q803 PolarHBondContact O-N 3.36Å; A800-Q803 VanDerWaalsContact O-N 3.08Å; M801-Q803 VanDerWaalsContact C-N 3.34Å; Q803-N805 PolarHBondContact O-N 3.14Å; Q803-T808 HydrophobicContact CB-CG2 4.28Å; Q803-T808 HydrophobicContact CG-CG2 4.08Å; Q803-Q809 PolarHBondContact O-NE2 3.44Å |
| 804 | K | 83.7 | Confident | 92.6 | Very high | 179 Ų | 179 | 42.1 Ų | 42.1 | 78% | 0.778 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -74.7 | -14.3 | 176.3 | -65.1 | 177.8 | -177.8 | 172.1 | 0 | 113 | P806 | K804-P806 WeakPolarHBondContact O-CD 3.38Š|
| 805 | N | 86.8 | Confident | 92.6 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | trans | -88.9 | 113.9 | -173.8 | -171.6 | -16.3 | 0 | 0 | 0 | 111.3 | S768 Q803 K807 T808 Q809 | S768-N805 VanDerWaalsContact CB-ND2 3.27Å; S768-N805 WeakPolarHBondContact CB-ND2 3.32Å; S768-N805 PolarHBondContact OG-ND2 3.18Å; Q803-N805 PolarHBondContact O-N 3.14Å; N805-K807 PolarHBondContact O-N 3.31Å; N805-K807 WeakPolarHBondContact OD1-CB 3.16Å; N805-K807 PolarHBondContact OD1-N 3.09Å; N805-T808 PolarHBondContact O-N 2.72Å; N805-Q809 PolarHBondContact O-N 3.02Å | ||
| 806 | P | 90.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.2 | -22 | -179.4 | 27.6 | -34.7 | 0 | 0 | 0 | 113.1 | K804 A810 V847 | K804-P806 WeakPolarHBondContact O-CD 3.38Å; P806-A810 WeakPolarHBondContact O-CB 3.24Å; P806-A810 PolarHBondContact O-N 3.49Å; P806-V847 HydrophobicContact CB-CG2 3.84Å; P806-V847 WeakPolarHBondContact O-CG2 3.47Å |
| 807 | K | 89 | Confident | 92.7 | Very high | 82 Ų | 82 | 40.3 Ų | 40.3 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.8 | -46.5 | 174.9 | -167.7 | 179.7 | 177.2 | -155.9 | 0 | 110.4 | S768 N805 Q809 A810 E811 | S768-K807 PolarHBondContact O-NZ 3.2Å; S768-K807 VanDerWaalsContact O-NZ 3.09Å; N805-K807 PolarHBondContact O-N 3.31Å; N805-K807 WeakPolarHBondContact OD1-CB 3.16Å; N805-K807 PolarHBondContact OD1-N 3.09Å; K807-Q809 VanDerWaalsContact C-N 3.26Å; K807-Q809 PolarHBondContact O-N 3.4Å; K807-A810 PolarHBondContact O-N 2.86Å; K807-A810 VanDerWaalsContact O-N 3.15Å; K807-E811 WeakPolarHBondContact CE-OE1 3.47Å; K807-E811 HydrophobicContact CG-CG 4.08Å; K807-E811 WeakPolarHBondContact O-CB 3.43Å; K807-E811 VanDerWaalsContact O-CG 3.22Å; K807-E811 WeakPolarHBondContact O-CG 3.46Å; K807-E811 PolarHBondContact O-N 3.24Å |
| 808 | T | 93.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54 | -45.3 | 172.7 | -61 | 0 | 0 | 0 | 0 | 111.4 | M764 F767 Q803 N805 S812 | M764-T808 HydrophobicContact CB-CG2 4.46Å; M764-T808 WeakPolarHBondContact O-CG2 3.44Å; M764-T808 PolarHBondContact O-OG1 3.49Å; M764-T808 HydrophobicContact SD-CG2 4.3Å; F767-T808 HydrophobicContact CB-CG2 3.99Å; Q803-T808 HydrophobicContact CB-CG2 4.28Å; Q803-T808 HydrophobicContact CG-CG2 4.08Å; N805-T808 PolarHBondContact O-N 2.72Å; T808-S812 WeakPolarHBondContact O-CB 3.37Å; T808-S812 PolarHBondContact O-N 2.89Å; T808-S812 PolarHBondContact O-OG 2.92Å |
| 809 | Q | 95.4 | Very high | 92.5 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 177 | -70.3 | 173.6 | -6 | 0 | 0 | 112.3 | A800 M801 Q803 N805 K807 S812 F813 V847 | A800-Q809 WeakPolarHBondContact O-CG 3.33Å; M801-Q809 HydrophobicContact CE-CB 3.9Å; M801-Q809 HydrophobicContact CE-CG 3.9Å; M801-Q809 HydrophobicContact SD-CG 4.39Å; Q803-Q809 PolarHBondContact O-NE2 3.44Å; N805-Q809 PolarHBondContact O-N 3.02Å; K807-Q809 VanDerWaalsContact C-N 3.26Å; K807-Q809 PolarHBondContact O-N 3.4Å; Q809-S812 PolarHBondContact O-N 3.23Å; Q809-F813 WeakPolarHBondContact O-CD2 3Å; Q809-F813 PolarHBondContact O-N 3.4Å; Q809-V847 HydrophobicContact CB-CG1 4.08Å; Q809-V847 HydrophobicContact CB-CG2 3.86Å |
| 810 | A | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -48.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P806 K807 S812 F813 S814 V846 V847 A850 | P806-A810 WeakPolarHBondContact O-CB 3.24Å; P806-A810 PolarHBondContact O-N 3.49Å; K807-A810 PolarHBondContact O-N 2.86Å; K807-A810 VanDerWaalsContact O-N 3.15Å; A810-S812 PolarHBondContact O-N 3.48Å; A810-F813 PolarHBondContact O-N 3.38Å; A810-F813 VanDerWaalsContact O-N 3.14Å; A810-S814 PolarHBondContact O-N 2.94Å; A810-S814 PolarHBondContact O-OG 2.98Å; A810-V846 HydrophobicContact CB-CG1 3.88Å; A810-V847 HydrophobicContact CB-CG2 4.22Å; A810-A850 HydrophobicContact CB-CB 4.35Å |
| 811 | E | 94.7 | Very high | 92.3 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -32 | 178 | -60.8 | -70.2 | 175.8 | 0 | 0 | 111.7 | F767 K807 S814 W815 | F767-E811 HydrophobicContact CD2-CB 3.98Å; F767-E811 HydrophobicContact CE2-CB 3.92Å; F767-E811 HydrophobicContact CG-CB 4.39Å; F767-E811 HydrophobicContact CZ-CB 4.29Å; K807-E811 WeakPolarHBondContact CE-OE1 3.47Å; K807-E811 HydrophobicContact CG-CG 4.08Å; K807-E811 WeakPolarHBondContact O-CB 3.43Å; K807-E811 VanDerWaalsContact O-CG 3.22Å; K807-E811 WeakPolarHBondContact O-CG 3.46Å; K807-E811 PolarHBondContact O-N 3.24Å; E811-S814 PolarHBondContact O-N 3.31Å; E811-W815 VanDerWaalsContact O-CB 3.25Å; E811-W815 WeakPolarHBondContact O-CB 3.46Å; E811-W815 PolarHBondContact O-N 3.19Å |
| 812 | S | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70 | -38.5 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 112.5 | F767 A800 T808 Q809 A810 L816 | F767-S812 WeakPolarHBondContact CD1-OG 3.28Å; F767-S812 WeakPolarHBondContact CE1-OG 3.2Å; A800-S812 VanDerWaalsContact CB-OG 3.28Å; A800-S812 WeakPolarHBondContact CB-OG 3.38Å; T808-S812 WeakPolarHBondContact O-CB 3.37Å; T808-S812 PolarHBondContact O-N 2.89Å; T808-S812 PolarHBondContact O-OG 2.92Å; Q809-S812 PolarHBondContact O-N 3.23Å; A810-S812 PolarHBondContact O-N 3.48Å; S812-L816 WeakPolarHBondContact O-CB 3.42Å; S812-L816 PolarHBondContact O-N 3.38Å; S812-L816 VanDerWaalsContact O-N 3.08Å |
| 813 | F | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 172.7 | -79.4 | -62.1 | 0 | 0 | 0 | 111.9 | L797 M801 Q809 A810 L816 S817 I836 V847 A850 A851 L854 | L797-F813 HydrophobicContact CD1-CD1 4.07Å; L797-F813 HydrophobicContact CD1-CE1 3.71Å; L797-F813 HydrophobicContact CD2-CD1 3.76Å; L797-F813 HydrophobicContact CD2-CE1 3.9Å; L797-F813 HydrophobicContact CD2-CG 4.24Å; L797-F813 HydrophobicContact CD2-CZ 4.49Å; L797-F813 HydrophobicContact CG-CE1 4.46Å; M801-F813 HydrophobicContact CE-CD2 3.94Å; M801-F813 HydrophobicContact CE-CE2 3.16Å; M801-F813 HydrophobicContact CE-CZ 3.51Å; M801-F813 HydrophobicContact SD-CE2 3.94Å; M801-F813 HydrophobicContact SD-CZ 4.05Å; Q809-F813 WeakPolarHBondContact O-CD2 3Å; Q809-F813 PolarHBondContact O-N 3.4Å; A810-F813 PolarHBondContact O-N 3.38Å; A810-F813 VanDerWaalsContact O-N 3.14Å; F813-L816 PolarHBondContact O-N 3.45Å; F813-S817 WeakPolarHBondContact O-CB 3.41Å; F813-S817 PolarHBondContact O-N 2.98Å; F813-S817 PolarHBondContact O-OG 3.03Å; F813-I836 HydrophobicContact CE1-CG1 4.21Å; F813-V847 HydrophobicContact CD2-CG1 4.13Å; F813-V847 HydrophobicContact CE2-CG1 3.87Å; F813-A850 HydrophobicContact CB-CB 3.73Å; F813-A851 HydrophobicContact CD1-CB 4.38Å; F813-A851 HydrophobicContact CD2-CB 4.31Å; F813-A851 HydrophobicContact CE1-CB 4.25Å; F813-A851 HydrophobicContact CE2-CB 4.16Å; F813-A851 HydrophobicContact CG-CB 4.43Å; F813-A851 HydrophobicContact CZ-CB 4.15Å; F813-L854 HydrophobicContact CD1-CD2 3.65Å; F813-L854 HydrophobicContact CE1-CD2 4.18Å |
| 814 | S | 95.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.7 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | A810 E811 L816 S817 E818 | A810-S814 PolarHBondContact O-N 2.94Å; A810-S814 PolarHBondContact O-OG 2.98Å; E811-S814 PolarHBondContact O-N 3.31Å; S814-L816 PolarHBondContact O-N 3.27Å; S814-S817 VanDerWaalsContact O-CB 3.25Å; S814-S817 WeakPolarHBondContact O-CB 3.32Å; S814-S817 PolarHBondContact O-N 3.13Å; S814-E818 PolarHBondContact O-N 3.28Å |
| 815 | W | 95.4 | Very high | 92 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 172.8 | 167.5 | 69.6 | 0 | 0 | 0 | 112 | F767 L777 L780 T781 V784 V792 E811 S817 E818 A819 | F767-W815 HydrophobicContact CZ-CB 3.86Å; F767-W815 HydrophobicContact CZ-CG 4.28Å; L777-W815 HydrophobicContact CD2-CB 3.55Å; L777-W815 HydrophobicContact CD2-CG 3.69Å; L780-W815 HydrophobicContact CB-CD2 4.32Å; L780-W815 HydrophobicContact CB-CH2 4.18Å; L780-W815 HydrophobicContact CB-CZ2 3.54Å; L780-W815 HydrophobicContact CD1-CD2 4.06Å; L780-W815 HydrophobicContact CD1-CE3 4.22Å; T781-W815 PolarHBondContact OG1-NE1 2.97Å; V784-W815 HydrophobicContact CG2-CH2 4.08Å; V784-W815 HydrophobicContact CG2-CZ2 3.86Å; V792-W815 HydrophobicContact CG1-CH2 3.74Å; V792-W815 HydrophobicContact CG1-CZ2 4.4Å; E811-W815 VanDerWaalsContact O-CB 3.25Å; E811-W815 WeakPolarHBondContact O-CB 3.46Å; E811-W815 PolarHBondContact O-N 3.19Å; W815-S817 VanDerWaalsContact C-N 3.25Å; W815-S817 PolarHBondContact O-N 2.95Å; W815-E818 PolarHBondContact O-N 3.49Å; W815-E818 VanDerWaalsContact O-N 3.16Å; W815-A819 HydrophobicContact CZ2-CB 4.19Å; W815-A819 WeakPolarHBondContact O-CB 3.41Å; W815-A819 PolarHBondContact O-N 3.22Å |
| 816 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | 179 | -178.1 | 58.8 | 0 | 0 | 0 | 111.8 | A793 L797 S812 F813 S814 E818 A819 I820 L832 L854 | A793-L816 HydrophobicContact CB-CD1 3.42Å; A793-L816 VanDerWaalsContact CB-CD1 3.42Å; A793-L816 HydrophobicContact CB-CD2 3.92Å; A793-L816 HydrophobicContact CB-CG 4.35Å; L797-L816 HydrophobicContact CD1-CD2 3.7Å; L797-L816 HydrophobicContact CD2-CD2 4.46Å; L797-L816 HydrophobicContact CG-CD2 3.96Å; S812-L816 WeakPolarHBondContact O-CB 3.42Å; S812-L816 PolarHBondContact O-N 3.38Å; S812-L816 VanDerWaalsContact O-N 3.08Å; F813-L816 PolarHBondContact O-N 3.45Å; S814-L816 PolarHBondContact O-N 3.27Å; L816-E818 VanDerWaalsContact C-N 3.32Å; L816-E818 PolarHBondContact O-N 3.14Å; L816-A819 PolarHBondContact O-N 3.46Å; L816-I820 HydrophobicContact CD1-CD1 4.08Å; L816-I820 HydrophobicContact CD1-CG1 3.94Å; L816-I820 HydrophobicContact CG-CD1 3.95Å; L816-I820 HydrophobicContact CG-CG1 4.27Å; L816-I820 WeakPolarHBondContact O-CB 3.48Å; L816-I820 VanDerWaalsContact O-CG1 3.3Å; L816-I820 WeakPolarHBondContact O-CG1 3.38Å; L816-I820 PolarHBondContact O-N 3.32Å; L816-L832 HydrophobicContact CD2-CD1 3.79Å; L816-L832 HydrophobicContact CD2-CD2 4.16Å; L816-L832 HydrophobicContact CD2-CG 4.49Å; L816-L854 HydrophobicContact CB-CD1 4.43Å; L816-L854 HydrophobicContact CD2-CD1 4.27Å; L816-L854 HydrophobicContact CD2-CD2 3.79Å; L816-L854 HydrophobicContact CG-CD1 4.01Å; L816-L854 HydrophobicContact CG-CD2 4.33Å |
| 817 | S | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 173.3 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | F813 S814 W815 Q821 L854 I857 | F813-S817 WeakPolarHBondContact O-CB 3.41Å; F813-S817 PolarHBondContact O-N 2.98Å; F813-S817 PolarHBondContact O-OG 3.03Å; S814-S817 VanDerWaalsContact O-CB 3.25Å; S814-S817 WeakPolarHBondContact O-CB 3.32Å; S814-S817 PolarHBondContact O-N 3.13Å; W815-S817 VanDerWaalsContact C-N 3.25Å; W815-S817 PolarHBondContact O-N 2.95Å; S817-Q821 WeakPolarHBondContact O-CG 3.48Å; S817-Q821 PolarHBondContact O-NE2 3.42Å; S817-L854 WeakPolarHBondContact OG-CA 3.3Å; S817-L854 WeakPolarHBondContact OG-CB 3.38Å; S817-I857 VanDerWaalsContact CB-CD1 3.41Å |
| 818 | E | 92.8 | Very high | 91.7 | Very high | 113 Ų | 113 | 27.3 Ų | 27.3 | 53% | 0.528 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.8 | -45.7 | 173.5 | -67.7 | 175.3 | -178.5 | 0 | 0 | 111.6 | S814 W815 L816 I820 Q821 E822 | S814-E818 PolarHBondContact O-N 3.28Å; W815-E818 PolarHBondContact O-N 3.49Å; W815-E818 VanDerWaalsContact O-N 3.16Å; L816-E818 VanDerWaalsContact C-N 3.32Å; L816-E818 PolarHBondContact O-N 3.14Å; E818-I820 PolarHBondContact O-N 2.94Å; E818-Q821 WeakPolarHBondContact O-CB 3.15Å; E818-Q821 PolarHBondContact O-N 2.64Å; E818-Q821 VanDerWaalsContact O-N 3.08Å; E818-E822 PolarHBondContact O-N 3.11Å; E818-E822 VanDerWaalsContact O-N 3.07Å |
| 819 | A | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I789 W815 L816 Q821 E822 F823 | I789-A819 HydrophobicContact CD1-CB 4.32Å; W815-A819 HydrophobicContact CZ2-CB 4.19Å; W815-A819 WeakPolarHBondContact O-CB 3.41Å; W815-A819 PolarHBondContact O-N 3.22Å; L816-A819 PolarHBondContact O-N 3.46Å; A819-Q821 VanDerWaalsContact C-N 3.27Å; A819-Q821 PolarHBondContact O-N 3.01Å; A819-E822 PolarHBondContact O-N 2.82Å; A819-E822 VanDerWaalsContact O-N 3.13Å; A819-F823 WeakPolarHBondContact O-CD2 3.47Å; A819-F823 PolarHBondContact O-N 3.1Å |
| 820 | I | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -34.5 | 175.5 | -72 | 172.6 | 0 | 0 | 0 | 111.3 | I789 L816 E818 E822 G824 A825 L854 I857 L858 F861 | I789-I820 HydrophobicContact CD1-CG1 4.05Å; L816-I820 HydrophobicContact CD1-CD1 4.08Å; L816-I820 HydrophobicContact CD1-CG1 3.94Å; L816-I820 HydrophobicContact CG-CD1 3.95Å; L816-I820 HydrophobicContact CG-CG1 4.27Å; L816-I820 WeakPolarHBondContact O-CB 3.48Å; L816-I820 VanDerWaalsContact O-CG1 3.3Å; L816-I820 WeakPolarHBondContact O-CG1 3.38Å; L816-I820 PolarHBondContact O-N 3.32Å; E818-I820 PolarHBondContact O-N 2.94Å; I820-E822 VanDerWaalsContact C-N 3.31Å; I820-G824 CarbonylContact O-C 3.53Å; I820-G824 WeakPolarHBondContact O-CA 3.41Å; I820-G824 PolarHBondContact O-N 2.89Å; I820-A825 HydrophobicContact CG2-CB 3.84Å; I820-L854 HydrophobicContact CD1-CD1 3.66Å; I820-I857 HydrophobicContact CB-CG2 4.29Å; I820-I857 HydrophobicContact CG2-CG2 3.92Å; I820-L858 HydrophobicContact CD1-CD2 3.67Å; I820-L858 HydrophobicContact CD1-CG 4.13Å; I820-F861 HydrophobicContact CG2-CD2 3.89Å; I820-F861 HydrophobicContact CG2-CE2 4.02Å; I820-F861 HydrophobicContact CG2-CG 4.46Å |
| 821 | Q | 90.5 | Very high | 90.8 | Very high | 68 Ų | 68 | 30.7 Ų | 30.7 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -70.1 | -31.7 | 174.6 | -67.8 | 172.2 | 74.4 | 0 | 0 | 111.8 | S817 E818 A819 I857 F861 | S817-Q821 WeakPolarHBondContact O-CG 3.48Å; S817-Q821 PolarHBondContact O-NE2 3.42Å; E818-Q821 WeakPolarHBondContact O-CB 3.15Å; E818-Q821 PolarHBondContact O-N 2.64Å; E818-Q821 VanDerWaalsContact O-N 3.08Å; A819-Q821 VanDerWaalsContact C-N 3.27Å; A819-Q821 PolarHBondContact O-N 3.01Å; Q821-I857 HydrophobicContact CG-CG2 3.99Å; Q821-F861 HydrophobicContact CG-CE2 4.22Å |
| 822 | E | 89.4 | Confident | 90.7 | Very high | 58 Ų | 58 | 28 Ų | 28 | 27% | 0.271 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -79.1 | -42.8 | 178.2 | -67 | -165.5 | 145.6 | 0 | 0 | 113.7 | E818 A819 I820 P896 R897 R898 | E818-E822 PolarHBondContact O-N 3.11Å; E818-E822 VanDerWaalsContact O-N 3.07Å; A819-E822 PolarHBondContact O-N 2.82Å; A819-E822 VanDerWaalsContact O-N 3.13Å; I820-E822 VanDerWaalsContact C-N 3.31Å; E822-P896 CarbonylContact O-C 3.52Å; E822-R897 PolarHBondContact O-N 3.43Å; E822-R898 PolarHBondContact O-N 3.13Å; E822-R898 IonicContact OE1-CZ 3.93Å; E822-R898 IonicContact OE1-NE 3.71Å; E822-R898 IonicContact OE1-NH2 3.74Å; E822-R898 PolarHBondContact OE1-NH2 3.13Å; E822-R898 IonicContact OE2-CZ 2.92Å; E822-R898 VanDerWaalsContact OE2-CZ 3.31Å; E822-R898 IonicContact OE2-NE 3.19Å; E822-R898 PolarHBondContact OE2-NE 3.46Å; E822-R898 IonicContact OE2-NH2 2.72Å; E822-R898 PolarHBondContact OE2-NH2 3.43Å |
| 823 | F | 89.6 | Confident | 90.4 | Very high | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -107.3 | -8 | -173.2 | -65.2 | -93.8 | 0 | 0 | 0 | 114.2 | T781 V784 E785 I789 A819 R898 | T781-F823 HydrophobicContact CG2-CE2 3.93Å; T781-F823 HydrophobicContact CG2-CZ 3.99Å; V784-F823 HydrophobicContact CB-CE1 4.31Å; V784-F823 HydrophobicContact CB-CE2 4.25Å; V784-F823 HydrophobicContact CB-CZ 4.06Å; V784-F823 HydrophobicContact CG1-CD1 3.64Å; V784-F823 HydrophobicContact CG1-CD2 3.85Å; V784-F823 HydrophobicContact CG1-CE1 3.64Å; V784-F823 HydrophobicContact CG1-CE2 3.88Å; V784-F823 HydrophobicContact CG1-CG 3.75Å; V784-F823 HydrophobicContact CG1-CZ 3.77Å; E785-F823 HydrophobicContact CG-CE1 3.68Å; E785-F823 HydrophobicContact CG-CZ 3.66Å; I789-F823 HydrophobicContact CB-CB 4.44Å; I789-F823 HydrophobicContact CD1-CB 3.77Å; I789-F823 HydrophobicContact CD1-CG 4.45Å; A819-F823 WeakPolarHBondContact O-CD2 3.47Å; A819-F823 PolarHBondContact O-N 3.1Å; F823-R898 HydrophobicContact CD1-CB 3.66Å; F823-R898 HydrophobicContact CD2-CB 4.49Å; F823-R898 HydrophobicContact CE1-CB 3.48Å; F823-R898 VanDerWaalsContact CE1-CB 3.48Å; F823-R898 HydrophobicContact CE1-CG 4.43Å; F823-R898 HydrophobicContact CE2-CB 4.34Å; F823-R898 HydrophobicContact CG-CB 4.18Å; F823-R898 HydrophobicContact CZ-CB 3.85Å; F823-R898 HydrophobicContact CZ-CG 4.33Å |
| 824 | G | 85 | Confident | 90.2 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | trans | 85.6 | 167.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I820 A826 | I820-G824 CarbonylContact O-C 3.53Å; I820-G824 WeakPolarHBondContact O-CA 3.41Å; I820-G824 PolarHBondContact O-N 2.89Å; G824-A826 VanDerWaalsContact C-N 3.26Å; G824-A826 PolarHBondContact O-N 3.45Å | ||
| 825 | A | 82.4 | Confident | 90.1 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -88.7 | 39.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | I820 V827 L858 F861 R862 | I820-A825 HydrophobicContact CG2-CB 3.84Å; A825-V827 PolarHBondContact O-N 2.89Å; A825-L858 HydrophobicContact CB-CD2 4.49Å; A825-F861 HydrophobicContact CB-CB 3.38Å; A825-F861 HydrophobicContact CB-CD1 4.24Å; A825-F861 HydrophobicContact CB-CD2 4.49Å; A825-F861 HydrophobicContact CB-CG 3.82Å; A825-R862 HydrophobicContact CB-CG 4Å; A825-R862 PolarHBondContact O-NH1 2.96Å |
| 826 | A | 82.8 | Confident | 90.1 | Very high | 74 Ų | 74 | 29.9 Ų | 29.9 | 61% | 0.612 | 17% | 0.174 | S | C | * | . | trans | -77.2 | 57 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I789 G824 | I789-A826 HydrophobicContact CG2-CB 4.37Å; I789-A826 WeakPolarHBondContact CG2-O 3.49Å; G824-A826 VanDerWaalsContact C-N 3.26Å; G824-A826 PolarHBondContact O-N 3.45Å | ||
| 827 | V | 87.5 | Confident | 90 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -116.6 | 147.9 | -178.6 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | I789 A793 A825 L829 L832 L858 | I789-V827 HydrophobicContact CG1-CG1 3.97Å; I789-V827 HydrophobicContact CG2-CG1 4.15Å; A793-V827 HydrophobicContact CB-CG1 4.35Å; A825-V827 PolarHBondContact O-N 2.89Å; V827-L829 PolarHBondContact O-N 2.55Å; V827-L832 HydrophobicContact CB-CD2 4.31Å; V827-L832 HydrophobicContact CG2-CD2 3.84Å; V827-L858 HydrophobicContact CG2-CD2 3.94Å |
| 828 | D | 89.6 | Confident | 89.9 | Confident | 85 Ų | 85 | 39 Ų | 39 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | trans | -68.2 | 92.7 | 169.4 | -179.9 | 28.6 | 0 | 0 | 0 | 110.5 | S790 P830 S831 L832 | S790-D828 PolarHBondContact OG-N 2.85Å; S790-D828 VanDerWaalsContact OG-N 3.13Å; D828-P830 VanDerWaalsContact OD1-CD 3.27Å; D828-P830 WeakPolarHBondContact OD1-CD 3.35Å; D828-S831 PolarHBondContact O-N 3.31Å; D828-S831 WeakPolarHBondContact OD2-CB 3.43Å; D828-L832 WeakPolarHBondContact O-CB 3.41Å; D828-L832 PolarHBondContact O-N 3.33Å | ||
| 829 | L | 88.1 | Confident | 89.9 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | -173.1 | -172 | 70.2 | 0 | 0 | 0 | 112.8 | V827 L832 A833 L858 E865 V866 M869 | V827-L829 PolarHBondContact O-N 2.55Å; L829-L832 PolarHBondContact O-N 3.19Å; L829-A833 WeakPolarHBondContact O-CB 3.49Å; L829-A833 PolarHBondContact O-N 3.42Å; L829-L858 HydrophobicContact CD1-CD1 4.12Å; L829-L858 HydrophobicContact CD1-CD2 4.14Å; L829-E865 HydrophobicContact CD2-CB 4.43Å; L829-E865 HydrophobicContact CD2-CG 3.85Å; L829-V866 HydrophobicContact CD1-CG2 4.16Å; L829-V866 HydrophobicContact CD2-CG2 3.93Å; L829-M869 HydrophobicContact CD2-CG 4.28Å; L829-M869 HydrophobicContact CG-CE 4.46Å |
| 830 | P | 88.5 | Confident | 89.9 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 47% | 0.474 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -52.4 | -53 | 169.7 | -30.2 | 33.9 | 0 | 0 | 0 | 115.9 | D828 A833 M869 | D828-P830 VanDerWaalsContact OD1-CD 3.27Å; D828-P830 WeakPolarHBondContact OD1-CD 3.35Å; P830-A833 PolarHBondContact O-N 2.92Å; P830-M869 VanDerWaalsContact CA-CE 3.42Å; P830-M869 HydrophobicContact CB-CE 4.1Å; P830-M869 HydrophobicContact CG-CE 3.97Å |
| 831 | S | 88 | Confident | 89.8 | Confident | 35 Ų | 35 | 37.7 Ų | 37.7 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | -180 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | D794 D828 A833 T834 H835 | D794-S831 VanDerWaalsContact OD1-CB 3.31Å; D794-S831 WeakPolarHBondContact OD1-CB 3.45Å; D794-S831 PolarHBondContact OD1-OG 2.71Å; D828-S831 PolarHBondContact O-N 3.31Å; D828-S831 WeakPolarHBondContact OD2-CB 3.43Å; S831-A833 VanDerWaalsContact C-N 3.3Å; S831-A833 PolarHBondContact O-N 3.31Å; S831-T834 WeakPolarHBondContact O-CB 3.48Å; S831-T834 PolarHBondContact O-N 3.04Å; S831-T834 PolarHBondContact O-OG1 3Å; S831-H835 PolarHBondContact O-CD2 2.94Å |
| 832 | L | 91.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -38 | 179.8 | -162.4 | 69.9 | 0 | 0 | 0 | 112.4 | A793 L797 L816 V827 D828 L829 T834 H835 I836 L858 | A793-L832 HydrophobicContact CB-CD1 4.25Å; L797-L832 HydrophobicContact CD1-CD1 3.59Å; L797-L832 HydrophobicContact CD1-CG 4.4Å; L797-L832 HydrophobicContact CG-CD1 4.43Å; L816-L832 HydrophobicContact CD2-CD1 3.79Å; L816-L832 HydrophobicContact CD2-CD2 4.16Å; L816-L832 HydrophobicContact CD2-CG 4.49Å; V827-L832 HydrophobicContact CB-CD2 4.31Å; V827-L832 HydrophobicContact CG2-CD2 3.84Å; D828-L832 WeakPolarHBondContact O-CB 3.41Å; D828-L832 PolarHBondContact O-N 3.33Å; L829-L832 PolarHBondContact O-N 3.19Å; L832-T834 PolarHBondContact O-N 3.46Å; L832-H835 PolarHBondContact O-N 2.93Å; L832-H835 VanDerWaalsContact O-N 3.1Å; L832-I836 HydrophobicContact CD2-CD1 4.17Å; L832-I836 HydrophobicContact CG-CD1 3.93Å; L832-I836 HydrophobicContact CG-CG1 4.42Å; L832-I836 WeakPolarHBondContact O-CG1 3.19Å; L832-I836 PolarHBondContact O-N 3.38Å; L832-L858 HydrophobicContact CD2-CD1 3.99Å; L832-L858 HydrophobicContact CD2-CD2 4.29Å |
| 833 | A | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -33.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L829 P830 S831 H835 I836 R837 M869 F870 | L829-A833 WeakPolarHBondContact O-CB 3.49Å; L829-A833 PolarHBondContact O-N 3.42Å; P830-A833 PolarHBondContact O-N 2.92Å; S831-A833 VanDerWaalsContact C-N 3.3Å; S831-A833 PolarHBondContact O-N 3.31Å; A833-H835 VanDerWaalsContact C-N 3.33Å; A833-H835 PolarHBondContact O-N 2.86Å; A833-I836 PolarHBondContact O-N 3.47Å; A833-R837 VanDerWaalsContact O-CG 3.31Å; A833-R837 WeakPolarHBondContact O-CG 3.45Å; A833-R837 PolarHBondContact O-N 3.36Å; A833-M869 HydrophobicContact CB-CE 3.9Å; A833-F870 HydrophobicContact CB-CE1 4.29Å; A833-F870 HydrophobicContact CB-CZ 3.96Å |
| 834 | T | 91.7 | Very high | 89.4 | Confident | 67 Ų | 67 | 39.9 Ų | 39.9 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -39.2 | 176.5 | 71 | 0 | 0 | 0 | 0 | 112.1 | S831 L832 K838 | S831-T834 WeakPolarHBondContact O-CB 3.48Å; S831-T834 PolarHBondContact O-N 3.04Å; S831-T834 PolarHBondContact O-OG1 3Å; L832-T834 PolarHBondContact O-N 3.46Å; T834-K838 PolarHBondContact O-N 3.37Å |
| 835 | H | 93.5 | Very high | 89.5 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72 | -41 | 176.2 | -64.2 | -62.5 | 0 | 0 | 0 | 111.7 | D794 L797 R798 S831 L832 A833 R837 K838 G839 | D794-H835 IonicContact OD1-CD2 3.29Å; D794-H835 PolarHBondContact OD1-CD2 2.85Å; D794-H835 IonicContact OD1-NE2 2.77Å; L797-H835 HydrophobicContact CB-CB 3.91Å; L797-H835 HydrophobicContact CD1-CB 4.04Å; R798-H835 VanDerWaalsContact CB-CE1 3.41Å; R798-H835 WeakPolarHBondContact CB-CE1 3.43Å; S831-H835 PolarHBondContact O-CD2 2.94Å; L832-H835 PolarHBondContact O-N 2.93Å; L832-H835 VanDerWaalsContact O-N 3.1Å; A833-H835 VanDerWaalsContact C-N 3.33Å; A833-H835 PolarHBondContact O-N 2.86Å; H835-R837 PolarHBondContact O-N 3.5Å; H835-K838 WeakPolarHBondContact O-CB 3.39Å; H835-K838 PolarHBondContact O-N 3.13Å; H835-K838 VanDerWaalsContact O-N 3.16Å; H835-G839 PolarHBondContact O-N 3.37Å; H835-G839 VanDerWaalsContact O-N 3.1Å |
| 836 | I | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.2 | -66.2 | 167.3 | 0 | 0 | 0 | 111.2 | F813 L832 A833 K838 G839 L840 L854 V855 L858 F870 | F813-I836 HydrophobicContact CE1-CG1 4.21Å; L832-I836 HydrophobicContact CD2-CD1 4.17Å; L832-I836 HydrophobicContact CG-CD1 3.93Å; L832-I836 HydrophobicContact CG-CG1 4.42Å; L832-I836 WeakPolarHBondContact O-CG1 3.19Å; L832-I836 PolarHBondContact O-N 3.38Å; A833-I836 PolarHBondContact O-N 3.47Å; I836-K838 VanDerWaalsContact C-N 3.28Å; I836-K838 PolarHBondContact O-N 3.48Å; I836-G839 CarbonylContact O-C 3.53Å; I836-G839 WeakPolarHBondContact O-CA 3.27Å; I836-G839 PolarHBondContact O-N 3.17Å; I836-L840 HydrophobicContact CG2-CD1 3.89Å; I836-L840 HydrophobicContact CG2-CG 4.07Å; I836-L840 WeakPolarHBondContact O-CG 3.45Å; I836-L840 PolarHBondContact O-N 3.44Å; I836-L854 HydrophobicContact CD1-CD2 3.96Å; I836-L854 HydrophobicContact CD1-CG 4.34Å; I836-L854 HydrophobicContact CG1-CD2 3.9Å; I836-V855 HydrophobicContact CG2-CG2 3.43Å; I836-V855 VanDerWaalsContact CG2-CG2 3.43Å; I836-L858 HydrophobicContact CD1-CD1 3.44Å; I836-L858 VanDerWaalsContact CD1-CD1 3.44Å; I836-F870 HydrophobicContact CB-CE1 3.95Å; I836-F870 HydrophobicContact CB-CZ 3.8Å; I836-F870 HydrophobicContact CD1-CZ 4.05Å; I836-F870 HydrophobicContact CG2-CE1 3.54Å; I836-F870 HydrophobicContact CG2-CE2 4.43Å; I836-F870 HydrophobicContact CG2-CZ 3.47Å; I836-F870 VanDerWaalsContact CG2-CZ 3.47Å |
| 837 | R | 94.3 | Very high | 90.4 | Very high | 72 Ų | 72 | 44 Ų | 44 | 27% | 0.272 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 174.6 | -72.3 | -177.1 | -133.5 | -86.8 | -5.3 | 112.8 | A833 H835 G839 L840 S841 M869 F870 E873 | A833-R837 VanDerWaalsContact O-CG 3.31Å; A833-R837 WeakPolarHBondContact O-CG 3.45Å; A833-R837 PolarHBondContact O-N 3.36Å; H835-R837 PolarHBondContact O-N 3.5Å; R837-G839 VanDerWaalsContact C-N 3.3Å; R837-G839 PolarHBondContact O-N 3.44Å; R837-L840 PolarHBondContact O-N 3.02Å; R837-S841 WeakPolarHBondContact O-CB 3.29Å; R837-S841 PolarHBondContact O-N 2.85Å; R837-S841 PolarHBondContact O-OG 2.97Å; R837-M869 VanDerWaalsContact CZ-O 3.25Å; R837-M869 PolarHBondContact NH1-O 3.4Å; R837-M869 PolarHBondContact NH2-O 3.3Å; R837-F870 HydrophobicContact CG-CD1 4.19Å; R837-F870 HydrophobicContact CG-CE1 3.99Å; R837-E873 WeakPolarHBondContact CG-OE1 3.5Å |
| 838 | K | 92.4 | Very high | 90.7 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 173.3 | -67.8 | 176.4 | -179.2 | 175.9 | 0 | 111.1 | M801 T834 H835 I836 S841 A842 | M801-K838 HydrophobicContact CG-CB 4.32Å; M801-K838 HydrophobicContact SD-CB 4.35Å; T834-K838 PolarHBondContact O-N 3.37Å; H835-K838 WeakPolarHBondContact O-CB 3.39Å; H835-K838 PolarHBondContact O-N 3.13Å; H835-K838 VanDerWaalsContact O-N 3.16Å; I836-K838 VanDerWaalsContact C-N 3.28Å; I836-K838 PolarHBondContact O-N 3.48Å; K838-S841 WeakPolarHBondContact CA-OG 3.26Å; K838-S841 PolarHBondContact O-OG 3.13Å; K838-A842 PolarHBondContact O-N 3.49Å; K838-A842 VanDerWaalsContact O-N 3.13Å |
| 839 | G | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H835 I836 R837 S841 A842 R848 | H835-G839 PolarHBondContact O-N 3.37Å; H835-G839 VanDerWaalsContact O-N 3.1Å; I836-G839 CarbonylContact O-C 3.53Å; I836-G839 WeakPolarHBondContact O-CA 3.27Å; I836-G839 PolarHBondContact O-N 3.17Å; R837-G839 VanDerWaalsContact C-N 3.3Å; R837-G839 PolarHBondContact O-N 3.44Å; G839-S841 VanDerWaalsContact C-N 3.29Å; G839-S841 PolarHBondContact O-N 3.48Å; G839-A842 WeakPolarHBondContact O-CB 3.37Å; G839-A842 PolarHBondContact O-N 3Å; G839-A842 VanDerWaalsContact O-N 3.08Å; G839-R848 WeakPolarHBondContact O-CG 3.35Å |
| 840 | L | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -31 | 177.5 | -67.9 | 172.6 | 0 | 0 | 0 | 112.9 | I836 R837 R848 A851 V852 V855 F870 E873 V877 I881 | I836-L840 HydrophobicContact CG2-CD1 3.89Å; I836-L840 HydrophobicContact CG2-CG 4.07Å; I836-L840 WeakPolarHBondContact O-CG 3.45Å; I836-L840 PolarHBondContact O-N 3.44Å; R837-L840 PolarHBondContact O-N 3.02Å; L840-R848 WeakPolarHBondContact O-CD 3.42Å; L840-R848 VanDerWaalsContact O-CG 3.29Å; L840-R848 WeakPolarHBondContact O-CG 3.45Å; L840-A851 HydrophobicContact CD2-CB 4.02Å; L840-A851 HydrophobicContact CG-CB 4.21Å; L840-V852 HydrophobicContact CD2-CB 4.45Å; L840-V852 HydrophobicContact CD2-CG2 3.51Å; L840-V855 HydrophobicContact CD1-CG2 4.45Å; L840-F870 HydrophobicContact CD1-CD1 3.7Å; L840-F870 HydrophobicContact CD1-CE1 3.95Å; L840-F870 HydrophobicContact CD1-CG 4.45Å; L840-E873 HydrophobicContact CD1-CG 4.36Å; L840-V877 HydrophobicContact CB-CG1 4.19Å; L840-V877 HydrophobicContact CD2-CG1 4.19Å; L840-I881 HydrophobicContact CD1-CD1 3.86Å; L840-I881 HydrophobicContact CD2-CD1 4.28Å; L840-I881 HydrophobicContact CD2-CG1 4.41Å |
| 841 | S | 89.4 | Confident | 91.6 | Very high | 84 Ų | 84 | 42.8 Ų | 42.8 | 59% | 0.587 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 1.3 | 174.1 | 57.7 | 0 | 0 | 0 | 0 | 114 | R837 K838 G839 | R837-S841 WeakPolarHBondContact O-CB 3.29Å; R837-S841 PolarHBondContact O-N 2.85Å; R837-S841 PolarHBondContact O-OG 2.97Å; K838-S841 WeakPolarHBondContact CA-OG 3.26Å; K838-S841 PolarHBondContact O-OG 3.13Å; G839-S841 VanDerWaalsContact C-N 3.29Å; G839-S841 PolarHBondContact O-N 3.48Å |
| 842 | A | 88.8 | Confident | 91.9 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | trans | -62.6 | 139.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K838 G839 S844 V847 R848 | K838-A842 PolarHBondContact O-N 3.49Å; K838-A842 VanDerWaalsContact O-N 3.13Å; G839-A842 WeakPolarHBondContact O-CB 3.37Å; G839-A842 PolarHBondContact O-N 3Å; G839-A842 VanDerWaalsContact O-N 3.08Å; A842-S844 PolarHBondContact O-N 2.88Å; A842-V847 HydrophobicContact CB-CB 3.85Å; A842-V847 HydrophobicContact CB-CG1 3.6Å; A842-R848 HydrophobicContact CB-CG 4.31Å; A842-R848 WeakPolarHBondContact O-CD 3.43Å; A842-R848 WeakPolarHBondContact O-CG 3.38Å; A842-R848 PolarHBondContact O-NE 3.27Å | ||
| 843 | T | 84.7 | Confident | 92.1 | Very high | 144 Ų | 144 | 45.6 Ų | 45.6 | 88% | 0.883 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -65.5 | -23.8 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 844 | S | 88 | Confident | 92.3 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -79.8 | 122.8 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | A842 V846 V847 R848 | A842-S844 PolarHBondContact O-N 2.88Å; S844-V846 VanDerWaalsContact C-N 3.25Å; S844-V846 PolarHBondContact O-N 3.29Å; S844-V847 PolarHBondContact O-N 2.97Å; S844-R848 PolarHBondContact O-N 2.95Å; S844-R848 VanDerWaalsContact O-N 3.11Å |
| 845 | P | 87.6 | Confident | 92.4 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -27.5 | 177.8 | 25.8 | -32.5 | 0 | 0 | 0 | 113.1 | R848 A849 | P845-R848 PolarHBondContact O-N 3.37Å; P845-A849 VanDerWaalsContact O-CB 3.31Å; P845-A849 WeakPolarHBondContact O-CB 3.37Å; P845-A849 PolarHBondContact O-N 3.26Å |
| 846 | V | 88.3 | Confident | 92.4 | Very high | 94 Ų | 94 | 42 Ų | 42 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68.8 | -41.3 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | A810 S844 A849 A850 | A810-V846 HydrophobicContact CB-CG1 3.88Å; S844-V846 VanDerWaalsContact C-N 3.25Å; S844-V846 PolarHBondContact O-N 3.29Å; V846-A849 PolarHBondContact O-N 3.06Å; V846-A850 PolarHBondContact O-N 2.74Å |
| 847 | V | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 176 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | P806 Q809 A810 F813 A842 S844 A849 A850 A851 | P806-V847 HydrophobicContact CB-CG2 3.84Å; P806-V847 WeakPolarHBondContact O-CG2 3.47Å; Q809-V847 HydrophobicContact CB-CG1 4.08Å; Q809-V847 HydrophobicContact CB-CG2 3.86Å; A810-V847 HydrophobicContact CB-CG2 4.22Å; F813-V847 HydrophobicContact CD2-CG1 4.13Å; F813-V847 HydrophobicContact CE2-CG1 3.87Å; A842-V847 HydrophobicContact CB-CB 3.85Å; A842-V847 HydrophobicContact CB-CG1 3.6Å; S844-V847 PolarHBondContact O-N 2.97Å; V847-A849 VanDerWaalsContact C-N 3.34Å; V847-A849 PolarHBondContact O-N 3.18Å; V847-A850 PolarHBondContact O-N 3.3Å; V847-A851 WeakPolarHBondContact O-CB 3.36Å; V847-A851 PolarHBondContact O-N 2.83Å |
| 848 | R | 93.4 | Very high | 92.2 | Very high | 87 Ų | 87 | 38.8 Ų | 38.8 | 33% | 0.328 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 175 | -72.1 | -168.8 | -72 | 152.3 | -0.3 | 112.2 | G839 L840 A842 S844 P845 A851 V852 | G839-R848 WeakPolarHBondContact O-CG 3.35Å; L840-R848 WeakPolarHBondContact O-CD 3.42Å; L840-R848 VanDerWaalsContact O-CG 3.29Å; L840-R848 WeakPolarHBondContact O-CG 3.45Å; A842-R848 HydrophobicContact CB-CG 4.31Å; A842-R848 WeakPolarHBondContact O-CD 3.43Å; A842-R848 WeakPolarHBondContact O-CG 3.38Å; A842-R848 PolarHBondContact O-NE 3.27Å; S844-R848 PolarHBondContact O-N 2.95Å; S844-R848 VanDerWaalsContact O-N 3.11Å; P845-R848 PolarHBondContact O-N 3.37Å; R848-A851 PolarHBondContact O-N 3.24Å; R848-V852 WeakPolarHBondContact O-CB 3.43Å; R848-V852 VanDerWaalsContact O-CG2 3.26Å; R848-V852 WeakPolarHBondContact O-CG2 3.37Å; R848-V852 PolarHBondContact O-N 3.07Å |
| 849 | A | 92.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 34 Ų | 34 | 41% | 0.405 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | P845 V846 V847 A851 V852 E853 | P845-A849 VanDerWaalsContact O-CB 3.31Å; P845-A849 WeakPolarHBondContact O-CB 3.37Å; P845-A849 PolarHBondContact O-N 3.26Å; V846-A849 PolarHBondContact O-N 3.06Å; V847-A849 VanDerWaalsContact C-N 3.34Å; V847-A849 PolarHBondContact O-N 3.18Å; A849-A851 VanDerWaalsContact C-N 3.35Å; A849-A851 PolarHBondContact O-N 3.39Å; A849-V852 PolarHBondContact O-N 3.35Å; A849-E853 WeakPolarHBondContact O-CB 3.41Å; A849-E853 PolarHBondContact O-N 3.39Å |
| 850 | A | 95.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A810 F813 V846 V847 E853 L854 | A810-A850 HydrophobicContact CB-CB 4.35Å; F813-A850 HydrophobicContact CB-CB 3.73Å; V846-A850 PolarHBondContact O-N 2.74Å; V847-A850 PolarHBondContact O-N 3.3Å; A850-E853 PolarHBondContact O-N 3.27Å; A850-L854 PolarHBondContact O-N 3.41Å |
| 851 | A | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F813 L840 V847 R848 A849 E853 L854 V855 | F813-A851 HydrophobicContact CD1-CB 4.38Å; F813-A851 HydrophobicContact CD2-CB 4.31Å; F813-A851 HydrophobicContact CE1-CB 4.25Å; F813-A851 HydrophobicContact CE2-CB 4.16Å; F813-A851 HydrophobicContact CG-CB 4.43Å; F813-A851 HydrophobicContact CZ-CB 4.15Å; L840-A851 HydrophobicContact CD2-CB 4.02Å; L840-A851 HydrophobicContact CG-CB 4.21Å; V847-A851 WeakPolarHBondContact O-CB 3.36Å; V847-A851 PolarHBondContact O-N 2.83Å; R848-A851 PolarHBondContact O-N 3.24Å; A849-A851 VanDerWaalsContact C-N 3.35Å; A849-A851 PolarHBondContact O-N 3.39Å; A851-E853 VanDerWaalsContact C-N 3.34Å; A851-L854 PolarHBondContact O-N 3.24Å; A851-V855 WeakPolarHBondContact O-CG2 3.34Å; A851-V855 PolarHBondContact O-N 2.82Å; A851-V855 VanDerWaalsContact O-N 3.08Å |
| 852 | V | 95.2 | Very high | 91.9 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 174.1 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | L840 R848 A849 V855 G856 M880 I881 Q884 | L840-V852 HydrophobicContact CD2-CB 4.45Å; L840-V852 HydrophobicContact CD2-CG2 3.51Å; R848-V852 WeakPolarHBondContact O-CB 3.43Å; R848-V852 VanDerWaalsContact O-CG2 3.26Å; R848-V852 WeakPolarHBondContact O-CG2 3.37Å; R848-V852 PolarHBondContact O-N 3.07Å; A849-V852 PolarHBondContact O-N 3.35Å; V852-V855 WeakPolarHBondContact O-CB 3.19Å; V852-V855 PolarHBondContact O-N 2.86Å; V852-G856 PolarHBondContact O-N 3.38Å; V852-M880 HydrophobicContact CG1-CB 4.49Å; V852-M880 HydrophobicContact CG2-CB 4.26Å; V852-I881 HydrophobicContact CG2-CG1 4.36Å; V852-Q884 HydrophobicContact CG1-CB 3.67Å; V852-Q884 HydrophobicContact CG1-CG 4.01Å |
| 853 | E | 95.3 | Very high | 91.8 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 40% | 0.402 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 176 | -178.6 | 172.8 | -163 | 0 | 0 | 112.1 | A849 A850 A851 V855 G856 I857 | A849-E853 WeakPolarHBondContact O-CB 3.41Å; A849-E853 PolarHBondContact O-N 3.39Å; A850-E853 PolarHBondContact O-N 3.27Å; A851-E853 VanDerWaalsContact C-N 3.34Å; E853-V855 VanDerWaalsContact C-N 3.31Å; E853-V855 PolarHBondContact O-N 2.99Å; E853-G856 WeakPolarHBondContact O-CA 3.27Å; E853-G856 PolarHBondContact O-N 2.92Å; E853-I857 HydrophobicContact CG-CD1 4.19Å; E853-I857 PolarHBondContact O-N 3.42Å |
| 854 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.2 | 178.3 | 61.6 | 0 | 0 | 0 | 112.3 | L797 F813 L816 S817 I820 I836 A850 A851 G856 I857 L858 | L797-L854 HydrophobicContact CD1-CD2 4.31Å; F813-L854 HydrophobicContact CD1-CD2 3.65Å; F813-L854 HydrophobicContact CE1-CD2 4.18Å; L816-L854 HydrophobicContact CB-CD1 4.43Å; L816-L854 HydrophobicContact CD2-CD1 4.27Å; L816-L854 HydrophobicContact CD2-CD2 3.79Å; L816-L854 HydrophobicContact CG-CD1 4.01Å; L816-L854 HydrophobicContact CG-CD2 4.33Å; S817-L854 WeakPolarHBondContact OG-CA 3.3Å; S817-L854 WeakPolarHBondContact OG-CB 3.38Å; I820-L854 HydrophobicContact CD1-CD1 3.66Å; I836-L854 HydrophobicContact CD1-CD2 3.96Å; I836-L854 HydrophobicContact CD1-CG 4.34Å; I836-L854 HydrophobicContact CG1-CD2 3.9Å; A850-L854 PolarHBondContact O-N 3.41Å; A851-L854 PolarHBondContact O-N 3.24Å; L854-G856 VanDerWaalsContact C-N 3.29Å; L854-G856 PolarHBondContact O-N 2.93Å; L854-I857 PolarHBondContact O-N 3.41Å; L854-L858 HydrophobicContact CD1-CD1 4.37Å; L854-L858 HydrophobicContact CD1-CG 4.33Å; L854-L858 HydrophobicContact CG-CD1 4.09Å; L854-L858 WeakPolarHBondContact O-CB 3.5Å; L854-L858 WeakPolarHBondContact O-CG 3.41Å; L854-L858 PolarHBondContact O-N 3.48Å |
| 855 | V | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 175 | 171 | 0 | 0 | 0 | 0 | 111.2 | I836 L840 A851 V852 E853 L858 F859 V866 F870 I881 M885 | I836-V855 HydrophobicContact CG2-CG2 3.43Å; I836-V855 VanDerWaalsContact CG2-CG2 3.43Å; L840-V855 HydrophobicContact CD1-CG2 4.45Å; A851-V855 WeakPolarHBondContact O-CG2 3.34Å; A851-V855 PolarHBondContact O-N 2.82Å; A851-V855 VanDerWaalsContact O-N 3.08Å; V852-V855 WeakPolarHBondContact O-CB 3.19Å; V852-V855 PolarHBondContact O-N 2.86Å; E853-V855 VanDerWaalsContact C-N 3.31Å; E853-V855 PolarHBondContact O-N 2.99Å; V855-L858 PolarHBondContact O-N 2.96Å; V855-F859 WeakPolarHBondContact O-CB 2.99Å; V855-F859 PolarHBondContact O-N 3.44Å; V855-V866 HydrophobicContact CG1-CG1 4.1Å; V855-F870 HydrophobicContact CG1-CD2 4.02Å; V855-F870 HydrophobicContact CG1-CE2 4.22Å; V855-F870 HydrophobicContact CG2-CD2 4.18Å; V855-F870 HydrophobicContact CG2-CE2 3.82Å; V855-F870 HydrophobicContact CG2-CZ 4.03Å; V855-I881 HydrophobicContact CG1-CG2 3.78Å; V855-M885 HydrophobicContact CG1-CE 3.55Å |
| 856 | G | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | V852 E853 L854 F859 W860 F888 | V852-G856 PolarHBondContact O-N 3.38Å; E853-G856 WeakPolarHBondContact O-CA 3.27Å; E853-G856 PolarHBondContact O-N 2.92Å; L854-G856 VanDerWaalsContact C-N 3.29Å; L854-G856 PolarHBondContact O-N 2.93Å; G856-F859 WeakPolarHBondContact O-CB 3.4Å; G856-F859 PolarHBondContact O-N 2.62Å; G856-W860 PolarHBondContact O-N 2.8Å; G856-F888 WeakPolarHBondContact O-CD2 3.46Å |
| 857 | I | 92.7 | Very high | 91.6 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 178.3 | -70.4 | 160.7 | 0 | 0 | 0 | 111.3 | S817 I820 Q821 E853 L854 F859 W860 F861 F888 | S817-I857 VanDerWaalsContact CB-CD1 3.41Å; I820-I857 HydrophobicContact CB-CG2 4.29Å; I820-I857 HydrophobicContact CG2-CG2 3.92Å; Q821-I857 HydrophobicContact CG-CG2 3.99Å; E853-I857 HydrophobicContact CG-CD1 4.19Å; E853-I857 PolarHBondContact O-N 3.42Å; L854-I857 PolarHBondContact O-N 3.41Å; I857-F859 VanDerWaalsContact C-N 3.3Å; I857-F859 PolarHBondContact O-N 3.03Å; I857-W860 VanDerWaalsContact O-CB 3.31Å; I857-W860 WeakPolarHBondContact O-CB 3.47Å; I857-W860 PolarHBondContact O-N 3.1Å; I857-W860 VanDerWaalsContact O-N 3.16Å; I857-F861 HydrophobicContact CG2-CD2 4.32Å; I857-F861 HydrophobicContact CG2-CE2 4.35Å; I857-F861 WeakPolarHBondContact O-CD2 3.4Å; I857-F861 PolarHBondContact O-N 2.93Å; I857-F888 HydrophobicContact CG1-CZ 4.42Å |
| 858 | L | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 173.1 | -77.1 | 167.7 | 0 | 0 | 0 | 111.4 | I820 A825 V827 L829 L832 I836 L854 V855 W860 F861 R862 V866 | I820-L858 HydrophobicContact CD1-CD2 3.67Å; I820-L858 HydrophobicContact CD1-CG 4.13Å; A825-L858 HydrophobicContact CB-CD2 4.49Å; V827-L858 HydrophobicContact CG2-CD2 3.94Å; L829-L858 HydrophobicContact CD1-CD1 4.12Å; L829-L858 HydrophobicContact CD1-CD2 4.14Å; L832-L858 HydrophobicContact CD2-CD1 3.99Å; L832-L858 HydrophobicContact CD2-CD2 4.29Å; I836-L858 HydrophobicContact CD1-CD1 3.44Å; I836-L858 VanDerWaalsContact CD1-CD1 3.44Å; L854-L858 HydrophobicContact CD1-CD1 4.37Å; L854-L858 HydrophobicContact CD1-CG 4.33Å; L854-L858 HydrophobicContact CG-CD1 4.09Å; L854-L858 WeakPolarHBondContact O-CB 3.5Å; L854-L858 WeakPolarHBondContact O-CG 3.41Å; L854-L858 PolarHBondContact O-N 3.48Å; V855-L858 PolarHBondContact O-N 2.96Å; L858-W860 VanDerWaalsContact C-N 3.3Å; L858-W860 PolarHBondContact O-N 3.43Å; L858-F861 PolarHBondContact O-N 3.33Å; L858-R862 WeakPolarHBondContact O-CB 3.41Å; L858-R862 PolarHBondContact O-N 3.43Å; L858-V866 HydrophobicContact CB-CG1 4.1Å; L858-V866 HydrophobicContact CB-CG2 3.98Å |
| 859 | F | 92.2 | Very high | 90.9 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 9% | 0.088 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.4 | 176.1 | -95.4 | 0 | 0 | 0 | 111.7 | V855 G856 I857 F861 G863 V866 M885 F888 E889 | V855-F859 WeakPolarHBondContact O-CB 2.99Å; V855-F859 PolarHBondContact O-N 3.44Å; G856-F859 WeakPolarHBondContact O-CB 3.4Å; G856-F859 PolarHBondContact O-N 2.62Å; I857-F859 VanDerWaalsContact C-N 3.3Å; I857-F859 PolarHBondContact O-N 3.03Å; F859-F861 VanDerWaalsContact C-N 3.26Å; F859-F861 PolarHBondContact O-N 3.49Å; F859-G863 WeakPolarHBondContact CD2-O 3.37Å; F859-G863 WeakPolarHBondContact O-CA 3.48Å; F859-G863 PolarHBondContact O-N 2.92Å; F859-V866 HydrophobicContact CB-CB 4.3Å; F859-V866 HydrophobicContact CB-CG1 4.32Å; F859-M885 HydrophobicContact CB-CE 4.33Å; F859-M885 HydrophobicContact CB-CG 3.98Å; F859-M885 HydrophobicContact CD1-CB 3.93Å; F859-M885 HydrophobicContact CD1-CG 4.09Å; F859-M885 HydrophobicContact CD2-CB 4.47Å; F859-M885 HydrophobicContact CD2-CE 4.26Å; F859-M885 HydrophobicContact CD2-CG 4.07Å; F859-M885 HydrophobicContact CD2-SD 4.03Å; F859-M885 HydrophobicContact CE1-CB 4.11Å; F859-M885 HydrophobicContact CE2-SD 4.44Å; F859-M885 HydrophobicContact CG-CB 4.12Å; F859-M885 HydrophobicContact CG-CG 3.77Å; F859-M885 HydrophobicContact CG-SD 4.34Å; F859-M885 HydrophobicContact CZ-CB 4.47Å; F859-F888 HydrophobicContact CD1-CB 4.23Å; F859-E889 HydrophobicContact CE1-CG 3.87Å; F859-E889 HydrophobicContact CZ-CG 3.97Å |
| 860 | W | 90.6 | Very high | 90.9 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 20% | 0.201 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -38.6 | 175.8 | -165.7 | 13.6 | 0 | 0 | 0 | 112.4 | G856 I857 L858 F888 C891 D892 P893 P894 | G856-W860 PolarHBondContact O-N 2.8Å; I857-W860 VanDerWaalsContact O-CB 3.31Å; I857-W860 WeakPolarHBondContact O-CB 3.47Å; I857-W860 PolarHBondContact O-N 3.1Å; I857-W860 VanDerWaalsContact O-N 3.16Å; L858-W860 VanDerWaalsContact C-N 3.3Å; L858-W860 PolarHBondContact O-N 3.43Å; W860-F888 HydrophobicContact CB-CB 3.89Å; W860-F888 HydrophobicContact CB-CD1 3.89Å; W860-F888 HydrophobicContact CB-CG 3.89Å; W860-F888 AromaticContact CD2-CD1 3.51Å; W860-F888 HydrophobicContact CD2-CD1 3.51Å; W860-F888 AromaticContact CD2-CE1 3.92Å; W860-F888 HydrophobicContact CD2-CE1 3.92Å; W860-F888 HydrophobicContact CD2-CG 4.39Å; W860-F888 AromaticContact CE3-CD1 3.8Å; W860-F888 HydrophobicContact CE3-CD1 3.8Å; W860-F888 AromaticContact CE3-CE1 3.68Å; W860-F888 HydrophobicContact CE3-CE1 3.68Å; W860-F888 HydrophobicContact CG-CB 3.96Å; W860-F888 AromaticContact CG-CD1 3.57Å; W860-F888 HydrophobicContact CG-CD1 3.57Å; W860-F888 HydrophobicContact CG-CE1 4.34Å; W860-F888 AromaticContact CG-CG 3.99Å; W860-F888 HydrophobicContact CG-CG 3.99Å; W860-F888 HydrophobicContact CZ3-CD1 4.5Å; W860-F888 HydrophobicContact CZ3-CE1 4.13Å; W860-C891 PolarHBondContact NE1-O 2.69Å; W860-D892 VanDerWaalsContact NE1-C 3.32Å; W860-D892 PolarHBondContact NE1-O 2.98Å; W860-P893 HydrophobicContact CG-CB 4.38Å; W860-P893 WeakPolarHBondContact O-CB 3.22Å; W860-P893 WeakPolarHBondContact O-CG 3.31Å; W860-P894 HydrophobicContact CE3-CG 4.47Å; W860-P894 VanDerWaalsContact CH2-CD 3.5Å; W860-P894 HydrophobicContact CH2-CG 3.82Å; W860-P894 HydrophobicContact CZ2-CG 4.33Å; W860-P894 HydrophobicContact CZ3-CG 3.89Å |
| 861 | F | 88.7 | Confident | 90.5 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -89.6 | -33.4 | 179.9 | -80.2 | -91.6 | 0 | 0 | 0 | 115.5 | I820 Q821 A825 I857 L858 F859 P893 P894 | I820-F861 HydrophobicContact CG2-CD2 3.89Å; I820-F861 HydrophobicContact CG2-CE2 4.02Å; I820-F861 HydrophobicContact CG2-CG 4.46Å; Q821-F861 HydrophobicContact CG-CE2 4.22Å; A825-F861 HydrophobicContact CB-CB 3.38Å; A825-F861 HydrophobicContact CB-CD1 4.24Å; A825-F861 HydrophobicContact CB-CD2 4.49Å; A825-F861 HydrophobicContact CB-CG 3.82Å; I857-F861 HydrophobicContact CG2-CD2 4.32Å; I857-F861 HydrophobicContact CG2-CE2 4.35Å; I857-F861 WeakPolarHBondContact O-CD2 3.4Å; I857-F861 PolarHBondContact O-N 2.93Å; L858-F861 PolarHBondContact O-N 3.33Å; F859-F861 VanDerWaalsContact C-N 3.26Å; F859-F861 PolarHBondContact O-N 3.49Å; F861-P893 HydrophobicContact CB-CB 4.48Å; F861-P893 HydrophobicContact CD1-CB 3.68Å; F861-P893 HydrophobicContact CD1-CG 4.38Å; F861-P893 HydrophobicContact CD2-CB 4.22Å; F861-P893 HydrophobicContact CE1-CB 3.88Å; F861-P893 HydrophobicContact CE2-CB 4.4Å; F861-P893 HydrophobicContact CG-CB 3.87Å; F861-P893 HydrophobicContact CZ-CB 4.24Å; F861-P894 VanDerWaalsContact CE1-O 3.31Å; F861-P894 WeakPolarHBondContact CE1-O 3.3Å; F861-P894 HydrophobicContact CE2-CG 4.24Å; F861-P894 HydrophobicContact CZ-CG 3.82Å; F861-P894 WeakPolarHBondContact CZ-O 3.49Å |
| 862 | R | 87.9 | Confident | 89.8 | Confident | 87 Ų | 87 | 46.9 Ų | 46.9 | 33% | 0.328 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -115.2 | -2.2 | -171 | -65.1 | -72.8 | -71.5 | -96.8 | 0.1 | 113.6 | A825 L858 E865 V866 | A825-R862 HydrophobicContact CB-CG 4Å; A825-R862 PolarHBondContact O-NH1 2.96Å; L858-R862 WeakPolarHBondContact O-CB 3.41Å; L858-R862 PolarHBondContact O-N 3.43Å; R862-E865 IonicContact CZ-OE2 3.43Å; R862-E865 VanDerWaalsContact CZ-OE2 3.29Å; R862-E865 IonicContact NE-OE2 3.91Å; R862-E865 PolarHBondContact NE-OE2 2.89Å; R862-E865 VanDerWaalsContact NH2-CD 3.31Å; R862-E865 IonicContact NH2-OE1 2.66Å; R862-E865 PolarHBondContact NH2-OE1 3.48Å; R862-E865 VanDerWaalsContact NH2-OE1 3.09Å; R862-E865 IonicContact NH2-OE2 3.22Å; R862-E865 PolarHBondContact NH2-OE2 3.49Å; R862-V866 HydrophobicContact CB-CG2 3.78Å |
| 863 | G | 87.4 | Confident | 89.6 | Confident | 25 Ų | 25 | 48 Ų | 48 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -140.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F859 E865 V866 | F859-G863 WeakPolarHBondContact CD2-O 3.37Å; F859-G863 WeakPolarHBondContact O-CA 3.48Å; F859-G863 PolarHBondContact O-N 2.92Å; G863-E865 PolarHBondContact O-N 3.35Å; G863-E865 VanDerWaalsContact O-N 3.08Å; G863-V866 PolarHBondContact O-N 2.92Å; G863-V866 VanDerWaalsContact O-N 3.15Å |
| 864 | S | 84.2 | Confident | 89.1 | Confident | 87 Ų | 87 | 52 Ų | 52 | 61% | 0.608 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.8 | -20.6 | -170.2 | -48.5 | 0 | 0 | 0 | 0 | 115 | V866 K867 M868 | S864-V866 PolarHBondContact O-N 3.31Å; S864-K867 WeakPolarHBondContact O-CB 3.12Å; S864-K867 PolarHBondContact O-N 3.48Å; S864-K867 VanDerWaalsContact O-N 3.09Å; S864-M868 PolarHBondContact O-N 2.86Å |
| 865 | E | 85.8 | Confident | 88.6 | Confident | 89 Ų | 89 | 56 Ų | 56 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.3 | -40.8 | 175 | -168.4 | -172.7 | 176.4 | 0 | 0 | 111.1 | L829 R862 G863 K867 M868 M869 | L829-E865 HydrophobicContact CD2-CB 4.43Å; L829-E865 HydrophobicContact CD2-CG 3.85Å; R862-E865 IonicContact CZ-OE2 3.43Å; R862-E865 VanDerWaalsContact CZ-OE2 3.29Å; R862-E865 IonicContact NE-OE2 3.91Å; R862-E865 PolarHBondContact NE-OE2 2.89Å; R862-E865 VanDerWaalsContact NH2-CD 3.31Å; R862-E865 IonicContact NH2-OE1 2.66Å; R862-E865 PolarHBondContact NH2-OE1 3.48Å; R862-E865 VanDerWaalsContact NH2-OE1 3.09Å; R862-E865 IonicContact NH2-OE2 3.22Å; R862-E865 PolarHBondContact NH2-OE2 3.49Å; G863-E865 PolarHBondContact O-N 3.35Å; G863-E865 VanDerWaalsContact O-N 3.08Å; E865-K867 PolarHBondContact O-N 3.31Å; E865-M868 PolarHBondContact O-N 3.44Å; E865-M869 WeakPolarHBondContact O-CG 3.36Å; E865-M869 PolarHBondContact O-N 3.38Å |
| 866 | V | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 179.5 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | L829 V855 L858 F859 R862 G863 S864 M868 M869 F870 M885 | L829-V866 HydrophobicContact CD1-CG2 4.16Å; L829-V866 HydrophobicContact CD2-CG2 3.93Å; V855-V866 HydrophobicContact CG1-CG1 4.1Å; L858-V866 HydrophobicContact CB-CG1 4.1Å; L858-V866 HydrophobicContact CB-CG2 3.98Å; F859-V866 HydrophobicContact CB-CB 4.3Å; F859-V866 HydrophobicContact CB-CG1 4.32Å; R862-V866 HydrophobicContact CB-CG2 3.78Å; G863-V866 PolarHBondContact O-N 2.92Å; G863-V866 VanDerWaalsContact O-N 3.15Å; S864-V866 PolarHBondContact O-N 3.31Å; V866-M868 PolarHBondContact O-N 3.34Å; V866-M869 WeakPolarHBondContact O-CB 3.48Å; V866-M869 PolarHBondContact O-N 2.95Å; V866-F870 HydrophobicContact CG1-CD2 4.16Å; V866-F870 HydrophobicContact CG1-CE2 3.98Å; V866-F870 WeakPolarHBondContact O-CD2 2.99Å; V866-M885 HydrophobicContact CG1-CE 4.04Å |
| 867 | K | 84.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 60.1 Ų | 60.1 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 178.1 | -170.3 | 173.6 | -177.4 | 171.3 | 0 | 111.3 | S864 E865 M869 F870 Q871 M885 | S864-K867 WeakPolarHBondContact O-CB 3.12Å; S864-K867 PolarHBondContact O-N 3.48Å; S864-K867 VanDerWaalsContact O-N 3.09Å; E865-K867 PolarHBondContact O-N 3.31Å; K867-M869 PolarHBondContact O-N 3.02Å; K867-F870 PolarHBondContact O-N 2.86Å; K867-Q871 PolarHBondContact O-N 3.31Å; K867-M885 HydrophobicContact CB-CE 4.29Å; K867-M885 HydrophobicContact CB-SD 4.19Å; K867-M885 HydrophobicContact CG-SD 4.17Å |
| 868 | M | 86 | Confident | 87.5 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.8 | -30.7 | 177.4 | -65.1 | -57.7 | -63.6 | 0 | 0 | 112.6 | S864 E865 V866 F870 Q871 | S864-M868 PolarHBondContact O-N 2.86Å; E865-M868 PolarHBondContact O-N 3.44Å; V866-M868 PolarHBondContact O-N 3.34Å; M868-F870 PolarHBondContact O-N 2.93Å; M868-Q871 WeakPolarHBondContact O-CG 3.41Å |
| 869 | M | 87.7 | Confident | 87.3 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 23% | 0.232 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.4 | -30.3 | -178 | -69.3 | -65.3 | -103.7 | 0 | 0 | 113.7 | L829 P830 A833 R837 E865 V866 K867 | L829-M869 HydrophobicContact CD2-CG 4.28Å; L829-M869 HydrophobicContact CG-CE 4.46Å; P830-M869 VanDerWaalsContact CA-CE 3.42Å; P830-M869 HydrophobicContact CB-CE 4.1Å; P830-M869 HydrophobicContact CG-CE 3.97Å; A833-M869 HydrophobicContact CB-CE 3.9Å; R837-M869 VanDerWaalsContact CZ-O 3.25Å; R837-M869 PolarHBondContact NH1-O 3.4Å; R837-M869 PolarHBondContact NH2-O 3.3Å; E865-M869 WeakPolarHBondContact O-CG 3.36Å; E865-M869 PolarHBondContact O-N 3.38Å; V866-M869 WeakPolarHBondContact O-CB 3.48Å; V866-M869 PolarHBondContact O-N 2.95Å; K867-M869 PolarHBondContact O-N 3.02Å |
| 870 | F | 92.2 | Very high | 87 | Confident | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.009 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -111.5 | 5.9 | -173.6 | -60.8 | -73.6 | 0 | 0 | 0 | 114.5 | A833 I836 R837 L840 V855 V866 K867 M868 S872 E873 L878 I881 | A833-F870 HydrophobicContact CB-CE1 4.29Å; A833-F870 HydrophobicContact CB-CZ 3.96Å; I836-F870 HydrophobicContact CB-CE1 3.95Å; I836-F870 HydrophobicContact CB-CZ 3.8Å; I836-F870 HydrophobicContact CD1-CZ 4.05Å; I836-F870 HydrophobicContact CG2-CE1 3.54Å; I836-F870 HydrophobicContact CG2-CE2 4.43Å; I836-F870 HydrophobicContact CG2-CZ 3.47Å; I836-F870 VanDerWaalsContact CG2-CZ 3.47Å; R837-F870 HydrophobicContact CG-CD1 4.19Å; R837-F870 HydrophobicContact CG-CE1 3.99Å; L840-F870 HydrophobicContact CD1-CD1 3.7Å; L840-F870 HydrophobicContact CD1-CE1 3.95Å; L840-F870 HydrophobicContact CD1-CG 4.45Å; V855-F870 HydrophobicContact CG1-CD2 4.02Å; V855-F870 HydrophobicContact CG1-CE2 4.22Å; V855-F870 HydrophobicContact CG2-CD2 4.18Å; V855-F870 HydrophobicContact CG2-CE2 3.82Å; V855-F870 HydrophobicContact CG2-CZ 4.03Å; V866-F870 HydrophobicContact CG1-CD2 4.16Å; V866-F870 HydrophobicContact CG1-CE2 3.98Å; V866-F870 WeakPolarHBondContact O-CD2 2.99Å; K867-F870 PolarHBondContact O-N 2.86Å; M868-F870 PolarHBondContact O-N 2.93Å; F870-S872 PolarHBondContact O-N 3.14Å; F870-S872 VanDerWaalsContact O-N 3.07Å; F870-E873 HydrophobicContact CB-CG 4.33Å; F870-E873 WeakPolarHBondContact O-CB 3.48Å; F870-E873 WeakPolarHBondContact O-CG 3.48Å; F870-E873 PolarHBondContact O-N 3.41Å; F870-E873 VanDerWaalsContact O-N 3.08Å; F870-L878 VanDerWaalsContact O-CD2 3.25Å; F870-L878 WeakPolarHBondContact O-CD2 3.48Å; F870-I881 HydrophobicContact CB-CD1 4.01Å |
| 871 | Q | 86.4 | Confident | 87 | Confident | 122 Ų | 122 | 68.6 Ų | 68.6 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.5 | 179.6 | 69.8 | -172.9 | -4.6 | 0 | 0 | 114.8 | K867 M868 E873 | K867-Q871 PolarHBondContact O-N 3.31Å; M868-Q871 WeakPolarHBondContact O-CG 3.41Å; Q871-E873 VanDerWaalsContact C-N 3.31Å |
| 872 | S | 83.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 71.5 Ų | 71.5 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -1.5 | 179.4 | 63.7 | 0 | 0 | 0 | 0 | 114.2 | F870 | F870-S872 PolarHBondContact O-N 3.14Å; F870-S872 VanDerWaalsContact O-N 3.07Å |
| 873 | E | 89.6 | Confident | 87.1 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 16% | 0.164 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -70.7 | 161.1 | 179.3 | -68.2 | -57.4 | 144.4 | 0 | 0 | 112.1 | R837 L840 F870 Q871 V877 L878 | R837-E873 WeakPolarHBondContact CG-OE1 3.5Å; L840-E873 HydrophobicContact CD1-CG 4.36Å; F870-E873 HydrophobicContact CB-CG 4.33Å; F870-E873 WeakPolarHBondContact O-CB 3.48Å; F870-E873 WeakPolarHBondContact O-CG 3.48Å; F870-E873 PolarHBondContact O-N 3.41Å; F870-E873 VanDerWaalsContact O-N 3.08Å; Q871-E873 VanDerWaalsContact C-N 3.31Å; E873-V877 HydrophobicContact CB-CB 4.38Å; E873-V877 HydrophobicContact CB-CG1 4.26Å; E873-L878 HydrophobicContact CB-CD2 4.22Å; E873-L878 HydrophobicContact CB-CG 4.15Å; E873-L878 WeakPolarHBondContact O-CD1 3.38Å; E873-L878 WeakPolarHBondContact O-CG 3.46Å |
| 874 | K | 85.9 | Confident | 87.3 | Confident | 170 Ų | 170 | 74.7 Ų | 74.7 | 74% | 0.739 | 39% | 0.389 | S | S | * | . | trans | -65.5 | 144.7 | -179.6 | -64.4 | 178.4 | -178.9 | 177.7 | 0 | 110.6 | A876 V877 L878 | K874-A876 VanDerWaalsContact C-N 3.28Å; K874-A876 PolarHBondContact O-N 3.21Å; K874-V877 WeakPolarHBondContact O-CA 3.22Å; K874-V877 WeakPolarHBondContact O-CB 3.32Å; K874-V877 PolarHBondContact O-N 2.84Å; K874-L878 PolarHBondContact O-N 3.44Å | ||
| 875 | S | 84.7 | Confident | 87.4 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 58% | 0.58 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -44.6 | -43.5 | -175.2 | 175.4 | 0 | 0 | 0 | 0 | 115.1 | V877 L878 Q879 | S875-V877 PolarHBondContact O-N 2.79Å; S875-L878 PolarHBondContact O-N 3.39Å; S875-Q879 WeakPolarHBondContact O-CG 3.39Å; S875-Q879 PolarHBondContact O-N 3Å |
| 876 | A | 83.3 | Confident | 87.4 | Confident | 68 Ų | 68 | 69.6 Ų | 69.6 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.6 | -35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K874 M880 | K874-A876 VanDerWaalsContact C-N 3.28Å; K874-A876 PolarHBondContact O-N 3.21Å; A876-M880 WeakPolarHBondContact O-CG 3.2Å; A876-M880 PolarHBondContact O-N 3.39Å |
| 877 | V | 86.1 | Confident | 87.2 | Confident | 20 Ų | 20 | 75.4 Ų | 75.4 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74.5 | -39.9 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | L840 E873 K874 S875 Q879 M880 I881 | L840-V877 HydrophobicContact CB-CG1 4.19Å; L840-V877 HydrophobicContact CD2-CG1 4.19Å; E873-V877 HydrophobicContact CB-CB 4.38Å; E873-V877 HydrophobicContact CB-CG1 4.26Å; K874-V877 WeakPolarHBondContact O-CA 3.22Å; K874-V877 WeakPolarHBondContact O-CB 3.32Å; K874-V877 PolarHBondContact O-N 2.84Å; S875-V877 PolarHBondContact O-N 2.79Å; V877-Q879 VanDerWaalsContact C-N 3.34Å; V877-Q879 PolarHBondContact O-N 2.67Å; V877-M880 WeakPolarHBondContact O-CB 3.46Å; V877-M880 PolarHBondContact O-N 3.39Å; V877-M880 VanDerWaalsContact O-N 3.11Å; V877-I881 HydrophobicContact CG1-CD1 3.94Å; V877-I881 HydrophobicContact CG1-CG1 4.4Å; V877-I881 WeakPolarHBondContact O-CG1 3.38Å; V877-I881 PolarHBondContact O-N 3.3Å |
| 878 | L | 87.5 | Confident | 87 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56 | -45.9 | 173.7 | -77.2 | 172.5 | 0 | 0 | 0 | 111.9 | F870 E873 K874 S875 M880 I881 E882 | F870-L878 VanDerWaalsContact O-CD2 3.25Å; F870-L878 WeakPolarHBondContact O-CD2 3.48Å; E873-L878 HydrophobicContact CB-CD2 4.22Å; E873-L878 HydrophobicContact CB-CG 4.15Å; E873-L878 WeakPolarHBondContact O-CD1 3.38Å; E873-L878 WeakPolarHBondContact O-CG 3.46Å; K874-L878 PolarHBondContact O-N 3.44Å; S875-L878 PolarHBondContact O-N 3.39Å; L878-M880 VanDerWaalsContact C-N 3.28Å; L878-M880 PolarHBondContact O-N 3.49Å; L878-I881 PolarHBondContact O-N 3Å; L878-I881 VanDerWaalsContact O-N 3.11Å; L878-E882 WeakPolarHBondContact O-CB 3.38Å; L878-E882 WeakPolarHBondContact O-CG 2.93Å; L878-E882 PolarHBondContact O-N 3.05Å |
| 879 | Q | 87.5 | Confident | 86.5 | Confident | 124 Ų | 124 | 71.5 Ų | 71.5 | 58% | 0.579 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 176.3 | -73.5 | 176.8 | -2.1 | 0 | 0 | 113 | S875 V877 K883 | S875-Q879 WeakPolarHBondContact O-CG 3.39Å; S875-Q879 PolarHBondContact O-N 3Å; V877-Q879 VanDerWaalsContact C-N 3.34Å; V877-Q879 PolarHBondContact O-N 2.67Å; Q879-K883 VanDerWaalsContact O-CB 3.27Å; Q879-K883 WeakPolarHBondContact O-CB 3.46Å; Q879-K883 PolarHBondContact O-N 2.71Å |
| 880 | M | 87.5 | Confident | 85.9 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 175.8 | -66 | 179.8 | 71.1 | 0 | 0 | 111.7 | V852 A876 V877 L878 Q884 | V852-M880 HydrophobicContact CG1-CB 4.49Å; V852-M880 HydrophobicContact CG2-CB 4.26Å; A876-M880 WeakPolarHBondContact O-CG 3.2Å; A876-M880 PolarHBondContact O-N 3.39Å; V877-M880 WeakPolarHBondContact O-CB 3.46Å; V877-M880 PolarHBondContact O-N 3.39Å; V877-M880 VanDerWaalsContact O-N 3.11Å; L878-M880 VanDerWaalsContact C-N 3.28Å; L878-M880 PolarHBondContact O-N 3.49Å; M880-Q884 PolarHBondContact O-N 3.36Å; M880-Q884 VanDerWaalsContact O-N 3.15Å |
| 881 | I | 90.1 | Very high | 84.9 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65 | -49.2 | 176.6 | -69.4 | 171.2 | 0 | 0 | 0 | 110.5 | L840 V852 V855 F870 V877 L878 K883 Q884 M885 | L840-I881 HydrophobicContact CD1-CD1 3.86Å; L840-I881 HydrophobicContact CD2-CD1 4.28Å; L840-I881 HydrophobicContact CD2-CG1 4.41Å; V852-I881 HydrophobicContact CG2-CG1 4.36Å; V855-I881 HydrophobicContact CG1-CG2 3.78Å; F870-I881 HydrophobicContact CB-CD1 4.01Å; V877-I881 HydrophobicContact CG1-CD1 3.94Å; V877-I881 HydrophobicContact CG1-CG1 4.4Å; V877-I881 WeakPolarHBondContact O-CG1 3.38Å; V877-I881 PolarHBondContact O-N 3.3Å; L878-I881 PolarHBondContact O-N 3Å; L878-I881 VanDerWaalsContact O-N 3.11Å; I881-K883 VanDerWaalsContact C-N 3.34Å; I881-K883 PolarHBondContact O-N 2.99Å; I881-Q884 CarbonylContact O-C 3.57Å; I881-Q884 PolarHBondContact O-N 3.17Å; I881-M885 HydrophobicContact CG2-CE 3.45Å; I881-M885 VanDerWaalsContact CG2-CE 3.45Å; I881-M885 HydrophobicContact CG2-CG 4.18Å; I881-M885 HydrophobicContact CG2-SD 3.74Å; I881-M885 WeakPolarHBondContact O-CG 2.95Å; I881-M885 PolarHBondContact O-N 3.14Å |
| 882 | E | 89.7 | Confident | 84.4 | Confident | 102 Ų | 102 | 81.6 Ų | 81.6 | 48% | 0.477 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 178.9 | -73.6 | 171.2 | 168.2 | 0 | 0 | 111.3 | L878 Q884 M885 S886 | L878-E882 WeakPolarHBondContact O-CB 3.38Å; L878-E882 WeakPolarHBondContact O-CG 2.93Å; L878-E882 PolarHBondContact O-N 3.05Å; E882-Q884 PolarHBondContact O-N 3.1Å; E882-M885 PolarHBondContact O-N 3.11Å; E882-S886 WeakPolarHBondContact O-CB 3.11Å; E882-S886 PolarHBondContact O-N 3.11Å; E882-S886 PolarHBondContact O-OG 3.21Å |
| 883 | K | 89.6 | Confident | 84.1 | Confident | 150 Ų | 150 | 79.7 Ų | 79.7 | 65% | 0.652 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.3 | -30.5 | 175.3 | -178.4 | 174.8 | -178.7 | 175 | 0 | 113.1 | Q879 I881 S886 | Q879-K883 VanDerWaalsContact O-CB 3.27Å; Q879-K883 WeakPolarHBondContact O-CB 3.46Å; Q879-K883 PolarHBondContact O-N 2.71Å; I881-K883 VanDerWaalsContact C-N 3.34Å; I881-K883 PolarHBondContact O-N 2.99Å; K883-S886 PolarHBondContact O-OG 2.97Å; K883-S886 VanDerWaalsContact O-OG 3.09Å |
| 884 | Q | 90 | Very high | 83.5 | Confident | 29 Ų | 29 | 80 Ų | 80 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -81.7 | -40.1 | 177.3 | -171 | 69.3 | 3.8 | 0 | 0 | 111.3 | V852 M880 I881 E882 K887 F888 | V852-Q884 HydrophobicContact CG1-CB 3.67Å; V852-Q884 HydrophobicContact CG1-CG 4.01Å; M880-Q884 PolarHBondContact O-N 3.36Å; M880-Q884 VanDerWaalsContact O-N 3.15Å; I881-Q884 CarbonylContact O-C 3.57Å; I881-Q884 PolarHBondContact O-N 3.17Å; E882-Q884 PolarHBondContact O-N 3.1Å; Q884-K887 WeakPolarHBondContact O-CB 3.12Å; Q884-K887 PolarHBondContact O-N 2.93Å; Q884-F888 HydrophobicContact CG-CE2 4.46Å; Q884-F888 VanDerWaalsContact O-CD2 3.3Å; Q884-F888 WeakPolarHBondContact O-CD2 3.22Å |
| 885 | M | 88 | Confident | 83 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 3% | 0.03 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.7 | -72.2 | 177.4 | 171.7 | 0 | 0 | 112 | V855 F859 V866 K867 I881 E882 K887 F888 E889 | V855-M885 HydrophobicContact CG1-CE 3.55Å; F859-M885 HydrophobicContact CB-CE 4.33Å; F859-M885 HydrophobicContact CB-CG 3.98Å; F859-M885 HydrophobicContact CD1-CB 3.93Å; F859-M885 HydrophobicContact CD1-CG 4.09Å; F859-M885 HydrophobicContact CD2-CB 4.47Å; F859-M885 HydrophobicContact CD2-CE 4.26Å; F859-M885 HydrophobicContact CD2-CG 4.07Å; F859-M885 HydrophobicContact CD2-SD 4.03Å; F859-M885 HydrophobicContact CE1-CB 4.11Å; F859-M885 HydrophobicContact CE2-SD 4.44Å; F859-M885 HydrophobicContact CG-CB 4.12Å; F859-M885 HydrophobicContact CG-CG 3.77Å; F859-M885 HydrophobicContact CG-SD 4.34Å; F859-M885 HydrophobicContact CZ-CB 4.47Å; V866-M885 HydrophobicContact CG1-CE 4.04Å; K867-M885 HydrophobicContact CB-CE 4.29Å; K867-M885 HydrophobicContact CB-SD 4.19Å; K867-M885 HydrophobicContact CG-SD 4.17Å; I881-M885 HydrophobicContact CG2-CE 3.45Å; I881-M885 VanDerWaalsContact CG2-CE 3.45Å; I881-M885 HydrophobicContact CG2-CG 4.18Å; I881-M885 HydrophobicContact CG2-SD 3.74Å; I881-M885 WeakPolarHBondContact O-CG 2.95Å; I881-M885 PolarHBondContact O-N 3.14Å; E882-M885 PolarHBondContact O-N 3.11Å; M885-K887 PolarHBondContact O-N 2.92Å; M885-F888 PolarHBondContact O-N 2.72Å; M885-E889 PolarHBondContact O-N 3.46Å |
| 886 | S | 85.5 | Confident | 82.6 | Confident | 63 Ų | 63 | 80.3 Ų | 80.3 | 44% | 0.441 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20 | 179.9 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | E882 K883 F888 | E882-S886 WeakPolarHBondContact O-CB 3.11Å; E882-S886 PolarHBondContact O-N 3.11Å; E882-S886 PolarHBondContact O-OG 3.21Å; K883-S886 PolarHBondContact O-OG 2.97Å; K883-S886 VanDerWaalsContact O-OG 3.09Å; S886-F888 VanDerWaalsContact C-N 3.25Å; S886-F888 PolarHBondContact O-N 3.26Å |
| 887 | K | 85.3 | Confident | 82.3 | Confident | 122 Ų | 122 | 87.8 Ų | 87.8 | 53% | 0.53 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.5 | 174.4 | -64.5 | 177.9 | -179.6 | 171.4 | 0 | 113.2 | Q884 M885 | Q884-K887 WeakPolarHBondContact O-CB 3.12Å; Q884-K887 PolarHBondContact O-N 2.93Å; M885-K887 PolarHBondContact O-N 2.92Å |
| 888 | F | 81.3 | Confident | 81.9 | Confident | 38 Ų | 38 | 91.5 Ų | 91.5 | 17% | 0.167 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -2.2 | -176 | -56.4 | -75.3 | 0 | 0 | 0 | 112.4 | G856 I857 F859 W860 Q884 M885 S886 N890 C891 | G856-F888 WeakPolarHBondContact O-CD2 3.46Å; I857-F888 HydrophobicContact CG1-CZ 4.42Å; F859-F888 HydrophobicContact CD1-CB 4.23Å; W860-F888 HydrophobicContact CB-CB 3.89Å; W860-F888 HydrophobicContact CB-CD1 3.89Å; W860-F888 HydrophobicContact CB-CG 3.89Å; W860-F888 AromaticContact CD2-CD1 3.51Å; W860-F888 HydrophobicContact CD2-CD1 3.51Å; W860-F888 AromaticContact CD2-CE1 3.92Å; W860-F888 HydrophobicContact CD2-CE1 3.92Å; W860-F888 HydrophobicContact CD2-CG 4.39Å; W860-F888 AromaticContact CE3-CD1 3.8Å; W860-F888 HydrophobicContact CE3-CD1 3.8Å; W860-F888 AromaticContact CE3-CE1 3.68Å; W860-F888 HydrophobicContact CE3-CE1 3.68Å; W860-F888 HydrophobicContact CG-CB 3.96Å; W860-F888 AromaticContact CG-CD1 3.57Å; W860-F888 HydrophobicContact CG-CD1 3.57Å; W860-F888 HydrophobicContact CG-CE1 4.34Å; W860-F888 AromaticContact CG-CG 3.99Å; W860-F888 HydrophobicContact CG-CG 3.99Å; W860-F888 HydrophobicContact CZ3-CD1 4.5Å; W860-F888 HydrophobicContact CZ3-CE1 4.13Å; Q884-F888 HydrophobicContact CG-CE2 4.46Å; Q884-F888 VanDerWaalsContact O-CD2 3.3Å; Q884-F888 WeakPolarHBondContact O-CD2 3.22Å; M885-F888 PolarHBondContact O-N 2.72Å; S886-F888 VanDerWaalsContact C-N 3.25Å; S886-F888 PolarHBondContact O-N 3.26Å; F888-N890 PolarHBondContact O-N 3.43Å; F888-C891 PolarHBondContact O-N 3.22Å |
| 889 | E | 75 | Confident | 81 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 125.8 | 172.1 | -79.9 | -178.8 | 168.7 | 0 | 0 | 109.9 | F859 M885 C891 | F859-E889 HydrophobicContact CE1-CG 3.87Å; F859-E889 HydrophobicContact CZ-CG 3.97Å; M885-E889 PolarHBondContact O-N 3.46Å; E889-C891 VanDerWaalsContact C-N 3.28Å; E889-C891 PolarHBondContact O-N 2.88Å |
| 890 | N | 74.7 | Confident | 79.5 | Confident | 172 Ų | 172 | 89.7 Ų | 89.7 | 92% | 0.92 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 15.2 | -176.8 | -43.4 | -54.5 | 0 | 0 | 0 | 115.9 | F888 | F888-N890 PolarHBondContact O-N 3.43Š|
| 891 | C | 72.1 | Confident | 77.6 | Confident | 61 Ų | 61 | 91 Ų | 91 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 126.6 | 171.3 | -65 | 0 | 0 | 0 | 0 | 109.9 | W860 F888 E889 | W860-C891 PolarHBondContact NE1-O 2.69Å; F888-C891 PolarHBondContact O-N 3.22Å; E889-C891 VanDerWaalsContact C-N 3.28Å; E889-C891 PolarHBondContact O-N 2.88Å |
| 892 | D | 74.5 | Confident | 75.1 | Confident | 150 Ų | 150 | 96.2 Ų | 96.2 | 80% | 0.802 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -67 | 133.1 | 172.7 | -70.4 | -37.8 | 0 | 0 | 0 | 110.5 | W860 | W860-D892 VanDerWaalsContact NE1-C 3.32Å; W860-D892 PolarHBondContact NE1-O 2.98Å |
| 893 | P | 78.2 | Confident | 72.2 | Confident | 54 Ų | 54 | 99.7 Ų | 99.7 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 146.8 | 177.2 | 24.2 | -31.2 | 0 | 0 | 0 | 111.6 | W860 F861 K895 | W860-P893 HydrophobicContact CG-CB 4.38Å; W860-P893 WeakPolarHBondContact O-CB 3.22Å; W860-P893 WeakPolarHBondContact O-CG 3.31Å; F861-P893 HydrophobicContact CB-CB 4.48Å; F861-P893 HydrophobicContact CD1-CB 3.68Å; F861-P893 HydrophobicContact CD1-CG 4.38Å; F861-P893 HydrophobicContact CD2-CB 4.22Å; F861-P893 HydrophobicContact CE1-CB 3.88Å; F861-P893 HydrophobicContact CE2-CB 4.4Å; F861-P893 HydrophobicContact CG-CB 3.87Å; F861-P893 HydrophobicContact CZ-CB 4.24Å; P893-K895 PolarHBondContact O-N 3.26Å |
| 894 | P | 76.6 | Confident | 69.2 | Low | 40 Ų | 40 | 100.1 Ų | 100.1 | 26% | 0.26 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 136.4 | 179.5 | 26.2 | -28.9 | 0 | 0 | 0 | 109.6 | W860 F861 | W860-P894 HydrophobicContact CE3-CG 4.47Å; W860-P894 VanDerWaalsContact CH2-CD 3.5Å; W860-P894 HydrophobicContact CH2-CG 3.82Å; W860-P894 HydrophobicContact CZ2-CG 4.33Å; W860-P894 HydrophobicContact CZ3-CG 3.89Å; F861-P894 VanDerWaalsContact CE1-O 3.31Å; F861-P894 WeakPolarHBondContact CE1-O 3.3Å; F861-P894 HydrophobicContact CE2-CG 4.24Å; F861-P894 HydrophobicContact CZ-CG 3.82Å; F861-P894 WeakPolarHBondContact CZ-O 3.49Å |
| 895 | K | 75.8 | Confident | 66.4 | Low | 186 Ų | 186 | 104.9 Ų | 104.9 | 81% | 0.809 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 132.9 | 175.3 | -68.9 | -177 | -179.4 | 178.8 | 0 | 109.5 | P893 R897 | P893-K895 PolarHBondContact O-N 3.26Å; K895-R897 PolarHBondContact O-N 3.05Å |
| 896 | P | 77.2 | Confident | 63.8 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 131.9 | 175 | -27.2 | 35.4 | 0 | 0 | 0 | 111 | E822 | E822-P896 CarbonylContact O-C 3.52Š|
| 897 | R | 75.5 | Confident | 60.9 | Low | 225 Ų | 225 | 115.5 Ų | 115.5 | 85% | 0.849 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -95.1 | -14.4 | 179.8 | -65 | -177.6 | -179.9 | 177.3 | -0.4 | 112.6 | E822 K895 | E822-R897 PolarHBondContact O-N 3.43Å; K895-R897 PolarHBondContact O-N 3.05Å |
| 898 | R | 78.6 | Confident | 58 | Low | 97 Ų | 97 | 119 Ų | 119 | 37% | 0.366 | 63% | 0.626 | S | S | . | * | trans | -130.6 | 149.6 | 179.9 | -55.3 | -170 | -165.2 | -156.3 | 12.4 | 110.1 | E785 E822 F823 | E785-R898 IonicContact OE1-CZ 2.84Å; E785-R898 IonicContact OE1-NH1 2.89Å; E785-R898 PolarHBondContact OE1-NH1 2.84Å; E822-R898 PolarHBondContact O-N 3.13Å; E822-R898 IonicContact OE1-CZ 3.93Å; E822-R898 IonicContact OE1-NE 3.71Å; E822-R898 IonicContact OE1-NH2 3.74Å; E822-R898 PolarHBondContact OE1-NH2 3.13Å; E822-R898 IonicContact OE2-CZ 2.92Å; E822-R898 VanDerWaalsContact OE2-CZ 3.31Å; E822-R898 IonicContact OE2-NE 3.19Å; E822-R898 PolarHBondContact OE2-NE 3.46Å; E822-R898 IonicContact OE2-NH2 2.72Å; E822-R898 PolarHBondContact OE2-NH2 3.43Å; F823-R898 HydrophobicContact CD1-CB 3.66Å; F823-R898 HydrophobicContact CD2-CB 4.49Å; F823-R898 HydrophobicContact CE1-CB 3.48Å; F823-R898 VanDerWaalsContact CE1-CB 3.48Å; F823-R898 HydrophobicContact CE1-CG 4.43Å; F823-R898 HydrophobicContact CE2-CB 4.34Å; F823-R898 HydrophobicContact CG-CB 4.18Å; F823-R898 HydrophobicContact CZ-CB 3.85Å; F823-R898 HydrophobicContact CZ-CG 4.33Å | ||
| 899 | A | 69.1 | Low | 55.2 | Low | 81 Ų | 81 | 125.7 Ų | 125.7 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | trans | -121.4 | 148.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 900 | S | 55 | Low | 52.7 | Low | 44 Ų | 44 | 129.5 Ų | 129.5 | 31% | 0.308 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -87.3 | 120.2 | 169.5 | -60.2 | 0 | 0 | 0 | 0 | 109 | V784 | V784-S900 PolarHBondContact O-OG 3.47Š|
| 901 | N | 47.6 | Very low | 50.3 | Low | 114 Ų | 114 | 126 Ų | 126 | 61% | 0.61 | 67% | 0.671 | S | S | * | * | trans | 4.5 | 119.9 | -178.4 | -111.9 | -18.7 | 0 | 0 | 0 | 120.1 | ||||
| 902 | P | 37 | Very low | 48 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | -98.5 | 84.3 | 180 | 36.9 | -30 | 0 | 0 | 0 | 113.3 | ||||
| 903 | E | 29 | Very low | 45.8 | Very low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -145.2 | 82.2 | 166.4 | -77.7 | -171.2 | 162.4 | 0 | 0 | 111.1 | ||||
| 904 | Q | 27.1 | Very low | 43.1 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | trans | -146.6 | 119.6 | 156.6 | -76.7 | -167 | -23.7 | 0 | 0 | 109.5 | I906 | Q904-I906 PolarHBondContact O-N 3.29Š| ||
| 905 | P | 32.2 | Very low | 40.6 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | trans | -80.5 | 115.3 | 177.3 | 30.3 | -28.4 | 0 | 0 | 0 | 109.5 | ||||
| 906 | I | 31.8 | Very low | 38.1 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 82% | 0.821 | 74% | 0.738 | S | S | * | * | trans | -91.5 | 111.1 | -180 | -59.2 | 172.2 | 0 | 0 | 0 | 108.1 | Q904 | Q904-I906 PolarHBondContact O-N 3.29Š| ||
| 907 | T | 24.9 | Very low | 35.5 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -61.8 | 139.7 | 166.8 | 29.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 908 | E | 23.9 | Very low | 33.1 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 91% | 0.907 | 75% | 0.754 | S | S | * | * | trans | -53.9 | 132.8 | 178 | -60.3 | 166 | 153.4 | 0 | 0 | 113.1 | ||||
| 909 | E | 23.5 | Very low | 30.5 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -155.8 | 109.6 | 146.2 | -122.8 | 174.2 | -166.6 | 0 | 0 | 111 | ||||
| 910 | E | 22.9 | Very low | 28.5 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 57 | 88.4 | 139 | -62.5 | -171.6 | 158.3 | 0 | 0 | 121.3 | ||||
| 911 | A | 23.4 | Very low | 27 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | 32.1 | 111.5 | 114.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 912 | L | 23.8 | Very low | 25.8 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -120 | 147.8 | 139.6 | -82 | 163.3 | 0 | 0 | 0 | 108.8 | ||||
| 913 | P | 28 | Very low | 25.3 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -94.4 | 160.7 | -136.1 | 35.3 | -36.5 | 0 | 0 | 0 | 115.8 | ||||
| 914 | A | 22.1 | Very low | 25.1 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -74.4 | 150.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 915 | T | 24.1 | Very low | 25 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | -139.9 | 94.3 | 137 | 36.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 916 | S | 23.2 | Very low | 24.6 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | 66.2 | 106.9 | 83 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 917 | G | 23.2 | Very low | 24.5 | Very low | 80 Ų | 80 | 147.4 Ų | 147.4 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | trans | 168.6 | 67.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 918 | S | 24.3 | Very low | 24.5 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -57.1 | 142.9 | 167.5 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 919 | A | 23.9 | Very low | 24.7 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -170.9 | 124.3 | 130.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 920 | D | 26.7 | Very low | 25.3 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | trans | -46.3 | 138.1 | 165.5 | -60.8 | -68.5 | 0 | 0 | 0 | 112.6 | ||||
| 921 | L | 23.7 | Very low | 25.7 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 93% | 0.932 | 83% | 0.832 | S | S | * | * | trans | -141.4 | 112.7 | 145.6 | -76.9 | -179.9 | 0 | 0 | 0 | 110.1 | ||||
| 922 | Q | 23.2 | Very low | 26.4 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | -65.2 | 156.7 | 165.3 | -69.5 | 166.5 | -20.5 | 0 | 0 | 110.8 | ||||
| 923 | N | 26.4 | Very low | 27.3 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | 9 | 125.5 | 145.3 | -56.9 | -16.5 | 0 | 0 | 0 | 117 | ||||
| 924 | D | 24.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | -171.8 | 147.8 | 105.6 | -85.2 | -26.3 | 0 | 0 | 0 | 110.7 | |||||
| 925 | E | 25.4 | Very low | 29.5 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -57.5 | 131.5 | 172.2 | -59.7 | 171.2 | 145.5 | 0 | 0 | 110.5 | ||||
| 926 | E | 24.2 | Very low | 31.2 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -161.1 | 130.5 | 144.5 | -112.7 | 175 | -164.5 | 0 | 0 | 110.3 | A928 | E926-A928 PolarHBondContact O-N 2.9Š| ||
| 927 | E | 30.1 | Very low | 33.6 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | trans | -60.4 | 124.6 | 179.2 | -64.9 | 175.7 | 142.3 | 0 | 0 | 111.5 | ||||
| 928 | A | 25.4 | Very low | 36.2 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -130.7 | 114.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | E926 | E926-A928 PolarHBondContact O-N 2.9Š| ||
| 929 | Q | 27.2 | Very low | 38.9 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -57.4 | 151.8 | 177.7 | -80.8 | 169.4 | -57.9 | 0 | 0 | 113.3 | V931 | Q929-V931 PolarHBondContact O-N 3.4Š| ||
| 930 | P | 36.8 | Very low | 41.8 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -73.8 | 118.5 | -169.8 | 29 | -33.3 | 0 | 0 | 0 | 112.6 | I932 | P930-I932 PolarHBondContact O-N 3.44Š| ||
| 931 | V | 30.7 | Very low | 44.6 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | -82.1 | 90.2 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | Q929 | Q929-V931 PolarHBondContact O-N 3.4Š| ||
| 932 | I | 37.7 | Very low | 47.4 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 78% | 0.779 | 68% | 0.684 | S | S | * | * | trans | -133.8 | 74.2 | 157.5 | -52.6 | 176.3 | 0 | 0 | 0 | 106.8 | P930 | P930-I932 PolarHBondContact O-N 3.44Š| ||
| 933 | D | 43.9 | Very low | 50.3 | Low | 126 Ų | 126 | 123.6 Ų | 123.6 | 67% | 0.674 | 67% | 0.665 | S | S | * | * | trans | -137.8 | 21.7 | 170.3 | -144.6 | 16.8 | 0 | 0 | 0 | 113.4 | K937 | D933-K937 IonicContact OD1-NZ 3.87Š| ||
| 934 | D | 44.8 | Very low | 53.3 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 86% | 0.856 | 63% | 0.632 | S | S | * | * | trans | -110.7 | 7.9 | -179.7 | -98.6 | -10.7 | 0 | 0 | 0 | 115.2 | ||||
| 935 | M | 50.1 | Low | 56.3 | Low | 124 Ų | 124 | 113.2 Ų | 113.2 | 61% | 0.611 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -87.3 | 112.7 | 164.3 | -74.5 | -173.4 | 69.7 | 0 | 0 | 109.7 | K937 | M935-K937 PolarHBondContact O-N 3.17Å; M935-K937 VanDerWaalsContact O-N 3.09Å |
| 936 | A | 61.2 | Low | 59.2 | Low | 100 Ų | 100 | 111 Ų | 111 | 83% | 0.826 | 61% | 0.607 | S | S | * | * | trans | -57.3 | 114.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q938 | A936-Q938 PolarHBondContact O-N 3.1Š| ||
| 937 | K | 72.2 | Confident | 62.4 | Low | 84 Ų | 84 | 107.8 Ų | 107.8 | 37% | 0.365 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 120 | 179 | -67.5 | 173 | -176.5 | 166.7 | 0 | 110 | D933 M935 S1017 | D933-K937 IonicContact OD1-NZ 3.87Å; M935-K937 PolarHBondContact O-N 3.17Å; M935-K937 VanDerWaalsContact O-N 3.09Å; K937-S1017 PolarHBondContact NZ-OG 2.83Å |
| 938 | Q | 77.6 | Confident | 65.3 | Low | 90 Ų | 90 | 98.5 Ų | 98.5 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | B | Isolated β-bridge | trans | -77.1 | 126.9 | -178.1 | -169.4 | 171.6 | -6.1 | 0 | 0 | 110.5 | A936 I940 C976 I977 S978 | A936-Q938 PolarHBondContact O-N 3.1Å; Q938-I940 PolarHBondContact O-N 2.66Å; Q938-C976 PolarHBondContact N-O 3.41Å; Q938-I977 WeakPolarHBondContact O-CA 3.46Å; Q938-S978 PolarHBondContact O-N 3.49Å |
| 939 | D | 81.5 | Confident | 68.5 | Low | 65 Ų | 65 | 95 Ų | 95 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 116.3 | 168.4 | -166.1 | -16.4 | 0 | 0 | 0 | 108.6 | T941 R980 | D939-T941 WeakPolarHBondContact OD1-CB 3.47Å; D939-T941 PolarHBondContact OD1-N 3.33Å; D939-T941 PolarHBondContact OD1-OG1 2.91Å; D939-R980 WeakPolarHBondContact OD2-CD 3.49Å |
| 940 | I | 86 | Confident | 71.5 | Confident | 1 Ų | 1 | 89.1 Ų | 89.1 | 1% | 0.005 | 50% | 0.503 | C | S | . | . | trans | -93.8 | 1.7 | -179.6 | 63.6 | 169.8 | 0 | 0 | 0 | 112.3 | Q938 D942 L943 I944 I970 I971 S974 I977 L981 | Q938-I940 PolarHBondContact O-N 2.66Å; I940-D942 PolarHBondContact O-N 3.27Å; I940-L943 HydrophobicContact CB-CD1 4.44Å; I940-L943 HydrophobicContact CG2-CD1 4.35Å; I940-L943 WeakPolarHBondContact O-CB 3.25Å; I940-L943 PolarHBondContact O-N 3.17Å; I940-I944 HydrophobicContact CD1-CD1 4.25Å; I940-I944 HydrophobicContact CG1-CD1 4.4Å; I940-I944 PolarHBondContact O-N 2.88Å; I940-I970 HydrophobicContact CB-CG2 4.48Å; I940-I971 HydrophobicContact CD1-CG1 4.06Å; I940-S974 WeakPolarHBondContact CG2-OG 3.48Å; I940-I977 HydrophobicContact CD1-CG2 4.39Å; I940-I977 HydrophobicContact CG2-CB 4.46Å; I940-I977 HydrophobicContact CG2-CG2 3.75Å; I940-L981 HydrophobicContact CD1-CD2 4.01Å; I940-L981 HydrophobicContact CG1-CD2 4.35Å | ||
| 941 | T | 83.6 | Confident | 74.2 | Confident | 44 Ų | 44 | 86.1 Ų | 86.1 | 27% | 0.27 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -55.8 | -40.8 | -175.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | D939 L943 I944 R980 | D939-T941 WeakPolarHBondContact OD1-CB 3.47Å; D939-T941 PolarHBondContact OD1-N 3.33Å; D939-T941 PolarHBondContact OD1-OG1 2.91Å; T941-L943 VanDerWaalsContact C-N 3.29Å; T941-L943 PolarHBondContact O-N 2.79Å; T941-I944 PolarHBondContact O-N 3.33Å; T941-R980 PolarHBondContact OG1-O 2.86Å |
| 942 | D | 82.4 | Confident | 77.2 | Confident | 144 Ų | 144 | 79.7 Ų | 79.7 | 77% | 0.77 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -73.2 | -18.7 | 179.5 | -62.3 | -25.3 | 0 | 0 | 0 | 113.6 | I940 | I940-D942 PolarHBondContact O-N 3.27Š|
| 943 | L | 85.8 | Confident | 79.8 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -82.9 | -18.1 | 175.4 | -61.8 | 173.7 | 0 | 0 | 0 | 112.1 | I940 T941 T945 I970 | I940-L943 HydrophobicContact CB-CD1 4.44Å; I940-L943 HydrophobicContact CG2-CD1 4.35Å; I940-L943 WeakPolarHBondContact O-CB 3.25Å; I940-L943 PolarHBondContact O-N 3.17Å; T941-L943 VanDerWaalsContact C-N 3.29Å; T941-L943 PolarHBondContact O-N 2.79Å; L943-T945 PolarHBondContact O-N 3.35Å; L943-I970 HydrophobicContact CB-CG2 3.9Å; L943-I970 HydrophobicContact CD1-CG2 3.83Å |
| 944 | I | 87.9 | Confident | 82.2 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -92.1 | 76.7 | 175 | -53.3 | 178.7 | 0 | 0 | 0 | 108 | I940 T941 V949 L984 | I940-I944 HydrophobicContact CD1-CD1 4.25Å; I940-I944 HydrophobicContact CG1-CD1 4.4Å; I940-I944 PolarHBondContact O-N 2.88Å; T941-I944 PolarHBondContact O-N 3.33Å; I944-V949 HydrophobicContact CG2-CG2 3.92Å; I944-L984 HydrophobicContact CD1-CB 3.88Å; I944-L984 HydrophobicContact CD1-CD2 3.85Å; I944-L984 HydrophobicContact CD1-CG 4.34Å |
| 945 | T | 88.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 44% | 0.436 | 41% | 0.413 | S | S | . | . | trans | -66.8 | 156.8 | -177.9 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | L943 D947 L948 V949 | L943-T945 PolarHBondContact O-N 3.35Å; T945-D947 PolarHBondContact O-N 3Å; T945-L948 WeakPolarHBondContact O-CB 3.38Å; T945-L948 PolarHBondContact O-N 2.86Å; T945-L948 PolarHBondContact OG1-N 3.1Å; T945-V949 PolarHBondContact O-N 3.21Å | ||
| 946 | D | 86.1 | Confident | 86 | Confident | 145 Ų | 145 | 74.7 Ų | 74.7 | 78% | 0.775 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.9 | -33.2 | 174.9 | -71.7 | -32.1 | 0 | 0 | 0 | 112.3 | V949 A950 | D946-V949 PolarHBondContact O-N 3.39Å; D946-A950 PolarHBondContact O-N 3.5Å |
| 947 | D | 89.9 | Confident | 87.5 | Confident | 126 Ų | 126 | 74.8 Ų | 74.8 | 67% | 0.674 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 173.7 | -69.5 | -29.3 | 0 | 0 | 0 | 111.7 | T945 V949 A950 E951 | T945-D947 PolarHBondContact O-N 3Å; D947-V949 VanDerWaalsContact C-N 3.32Å; D947-V949 PolarHBondContact O-N 2.76Å; D947-A950 WeakPolarHBondContact O-CB 3.37Å; D947-A950 PolarHBondContact O-N 3.4Å; D947-E951 WeakPolarHBondContact O-CG 3.01Å; D947-E951 PolarHBondContact O-N 3.02Å |
| 948 | L | 92.2 | Very high | 88.5 | Confident | 11 Ų | 11 | 77.1 Ų | 77.1 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 177.3 | -175.2 | 61.6 | 0 | 0 | 0 | 111.3 | T945 E951 L952 A963 K966 V967 I970 | T945-L948 WeakPolarHBondContact O-CB 3.38Å; T945-L948 PolarHBondContact O-N 2.86Å; T945-L948 PolarHBondContact OG1-N 3.1Å; L948-E951 PolarHBondContact O-N 3.33Å; L948-L952 HydrophobicContact CG-CD1 4.48Å; L948-L952 VanDerWaalsContact O-CG 3.3Å; L948-L952 WeakPolarHBondContact O-CG 3.48Å; L948-L952 PolarHBondContact O-N 2.8Å; L948-A963 HydrophobicContact CD1-CB 4.07Å; L948-K966 HydrophobicContact CD1-CB 4.2Å; L948-K966 HydrophobicContact CD1-CD 3.98Å; L948-V967 HydrophobicContact CD1-CG2 4.5Å; L948-V967 HydrophobicContact CD2-CG2 3.8Å; L948-V967 HydrophobicContact CG-CG2 4.24Å; L948-I970 HydrophobicContact CD2-CD1 3.92Å |
| 949 | V | 91.2 | Very high | 89.4 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -45.5 | 172.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | I944 T945 D946 D947 E951 L952 E953 P983 I987 | I944-V949 HydrophobicContact CG2-CG2 3.92Å; T945-V949 PolarHBondContact O-N 3.21Å; D946-V949 PolarHBondContact O-N 3.39Å; D947-V949 VanDerWaalsContact C-N 3.32Å; D947-V949 PolarHBondContact O-N 2.76Å; V949-E951 VanDerWaalsContact C-N 3.35Å; V949-E951 PolarHBondContact O-N 3.39Å; V949-L952 PolarHBondContact O-N 3.37Å; V949-E953 PolarHBondContact O-N 3.04Å; V949-E953 VanDerWaalsContact O-N 3.14Å; V949-P983 HydrophobicContact CG2-CG 3.89Å; V949-I987 HydrophobicContact CB-CD1 4.29Å; V949-I987 HydrophobicContact CG1-CD1 3.74Å; V949-I987 HydrophobicContact CG2-CD1 3.97Å |
| 950 | A | 90.1 | Very high | 90 | Very high | 59 Ų | 59 | 73 Ų | 73 | 49% | 0.488 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D946 D947 L952 E953 D954 | D946-A950 PolarHBondContact O-N 3.5Å; D947-A950 WeakPolarHBondContact O-CB 3.37Å; D947-A950 PolarHBondContact O-N 3.4Å; A950-L952 PolarHBondContact O-N 2.87Å; A950-E953 CarbonylContact O-C 3.59Å; A950-E953 PolarHBondContact O-N 3.39Å; A950-D954 PolarHBondContact O-N 3.13Å |
| 951 | E | 94.7 | Very high | 90.5 | Very high | 58 Ų | 58 | 74.8 Ų | 74.8 | 27% | 0.271 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 174.5 | -70 | -177.1 | -175.3 | 0 | 0 | 112.5 | D947 L948 V949 E953 D954 V959 A963 K966 | D947-E951 WeakPolarHBondContact O-CG 3.01Å; D947-E951 PolarHBondContact O-N 3.02Å; L948-E951 PolarHBondContact O-N 3.33Å; V949-E951 VanDerWaalsContact C-N 3.35Å; V949-E951 PolarHBondContact O-N 3.39Å; E951-E953 VanDerWaalsContact C-N 3.28Å; E951-E953 PolarHBondContact O-N 3.4Å; E951-D954 WeakPolarHBondContact O-CB 3.44Å; E951-D954 PolarHBondContact O-N 2.93Å; E951-V959 HydrophobicContact CB-CG1 4Å; E951-V959 HydrophobicContact CG-CG1 4.19Å; E951-A963 HydrophobicContact CB-CB 3.71Å; E951-K966 VanDerWaalsContact CD-NZ 3.3Å; E951-K966 IonicContact OE1-NZ 3.65Å; E951-K966 PolarHBondContact OE1-NZ 3.12Å; E951-K966 IonicContact OE2-NZ 2.68Å; E951-K966 PolarHBondContact OE2-NZ 2.85Å |
| 952 | L | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -27 | 176.8 | -72.1 | 164 | 0 | 0 | 0 | 112.9 | L948 V949 A950 R960 A963 L964 V967 L984 I987 | L948-L952 HydrophobicContact CG-CD1 4.48Å; L948-L952 VanDerWaalsContact O-CG 3.3Å; L948-L952 WeakPolarHBondContact O-CG 3.48Å; L948-L952 PolarHBondContact O-N 2.8Å; V949-L952 PolarHBondContact O-N 3.37Å; A950-L952 PolarHBondContact O-N 2.87Å; L952-R960 WeakPolarHBondContact O-CD 3.5Å; L952-R960 WeakPolarHBondContact O-CG 3.48Å; L952-A963 HydrophobicContact CD2-CB 3.72Å; L952-A963 HydrophobicContact CG-CB 3.88Å; L952-L964 HydrophobicContact CD2-CD2 3.78Å; L952-L964 HydrophobicContact CD2-CG 3.83Å; L952-V967 HydrophobicContact CD1-CG2 3.95Å; L952-V967 HydrophobicContact CD2-CG2 4.31Å; L952-L984 HydrophobicContact CD1-CD1 4.39Å; L952-I987 HydrophobicContact CB-CG2 3.68Å; L952-I987 HydrophobicContact CD1-CD1 4.36Å; L952-I987 HydrophobicContact CD1-CG2 3.98Å; L952-I987 HydrophobicContact CG-CG2 4.3Å |
| 953 | E | 91.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -98 | -1 | 178 | -64.9 | -168.9 | 158.8 | 0 | 0 | 113.8 | V949 A950 E951 | V949-E953 PolarHBondContact O-N 3.04Å; V949-E953 VanDerWaalsContact O-N 3.14Å; A950-E953 CarbonylContact O-C 3.59Å; A950-E953 PolarHBondContact O-N 3.39Å; E951-E953 VanDerWaalsContact C-N 3.28Å; E951-E953 PolarHBondContact O-N 3.4Å |
| 954 | D | 94.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | trans | -57.4 | 148.3 | -176.9 | -170.5 | -90.5 | 0 | 0 | 0 | 112.4 | A950 E951 N956 V959 R960 | A950-D954 PolarHBondContact O-N 3.13Å; E951-D954 WeakPolarHBondContact O-CB 3.44Å; E951-D954 PolarHBondContact O-N 2.93Å; D954-N956 VanDerWaalsContact C-N 3.28Å; D954-N956 PolarHBondContact O-N 3.37Å; D954-N956 WeakPolarHBondContact OD1-CA 3.49Å; D954-N956 WeakPolarHBondContact OD1-CB 3.38Å; D954-N956 PolarHBondContact OD1-N 3.23Å; D954-V959 HydrophobicContact CB-CB 4.09Å; D954-V959 HydrophobicContact CB-CG1 3.85Å; D954-R960 HydrophobicContact CB-CG 4.42Å; D954-R960 WeakPolarHBondContact O-CD 3.42Å; D954-R960 VanDerWaalsContact O-CG 3.24Å; D954-R960 WeakPolarHBondContact O-CG 3.35Å; D954-R960 PolarHBondContact O-NH1 2.8Å | ||
| 955 | K | 85.4 | Confident | 92.5 | Very high | 207 Ų | 207 | 67.6 Ų | 67.6 | 90% | 0.9 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -66.2 | -30.4 | 179.7 | -67.8 | -179.9 | -178.4 | 174.4 | 0 | 112.5 | W957 R960 | K955-W957 PolarHBondContact O-N 3.31Å; K955-R960 VanDerWaalsContact C-NH1 3.26Å; K955-R960 PolarHBondContact O-NH1 2.91Å |
| 956 | N | 89.2 | Confident | 92.7 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -79.7 | 113.3 | 178 | -172.9 | -8.2 | 0 | 0 | 0 | 111.2 | D954 K958 V959 R960 | D954-N956 VanDerWaalsContact C-N 3.28Å; D954-N956 PolarHBondContact O-N 3.37Å; D954-N956 WeakPolarHBondContact OD1-CA 3.49Å; D954-N956 WeakPolarHBondContact OD1-CB 3.38Å; D954-N956 PolarHBondContact OD1-N 3.23Å; N956-K958 PolarHBondContact O-N 3.07Å; N956-K958 VanDerWaalsContact O-N 3.11Å; N956-K958 PolarHBondContact OD1-N 2.99Å; N956-K958 VanDerWaalsContact OD1-N 3.1Å; N956-V959 HydrophobicContact CB-CB 4.36Å; N956-V959 HydrophobicContact CB-CG2 3.91Å; N956-V959 WeakPolarHBondContact O-CB 3.19Å; N956-V959 PolarHBondContact O-N 3.07Å; N956-R960 PolarHBondContact O-N 3.21Å |
| 957 | W | 92.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 62 Ų | 62 | 39% | 0.386 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.8 | -27.4 | -178.9 | 74.9 | -96.7 | 0 | 0 | 0 | 113.5 | K955 L961 I999 | K955-W957 PolarHBondContact O-N 3.31Å; W957-L961 HydrophobicContact CZ3-CD2 3.97Å; W957-L961 WeakPolarHBondContact O-CB 3.36Å; W957-L961 PolarHBondContact O-N 3.07Å; W957-I999 HydrophobicContact CB-CD1 3.63Å; W957-I999 WeakPolarHBondContact O-CD1 3.42Å |
| 958 | K | 93 | Very high | 93.4 | Very high | 133 Ų | 133 | 58.6 Ų | 58.6 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -70.5 | -37.7 | 177.3 | -67.8 | -176 | 174.6 | 178.5 | 0 | 112 | N956 L961 A962 | N956-K958 PolarHBondContact O-N 3.07Å; N956-K958 VanDerWaalsContact O-N 3.11Å; N956-K958 PolarHBondContact OD1-N 2.99Å; N956-K958 VanDerWaalsContact OD1-N 3.1Å; K958-L961 PolarHBondContact O-N 2.7Å; K958-A962 WeakPolarHBondContact O-CB 3.45Å; K958-A962 PolarHBondContact O-N 3.16Å |
| 959 | V | 95.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 29% | 0.291 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 175.2 | 179 | 0 | 0 | 0 | 0 | 108.8 | E951 D954 N956 L961 A962 A963 | E951-V959 HydrophobicContact CB-CG1 4Å; E951-V959 HydrophobicContact CG-CG1 4.19Å; D954-V959 HydrophobicContact CB-CB 4.09Å; D954-V959 HydrophobicContact CB-CG1 3.85Å; N956-V959 HydrophobicContact CB-CB 4.36Å; N956-V959 HydrophobicContact CB-CG2 3.91Å; N956-V959 WeakPolarHBondContact O-CB 3.19Å; N956-V959 PolarHBondContact O-N 3.07Å; V959-L961 VanDerWaalsContact C-N 3.31Å; V959-L961 PolarHBondContact O-N 3.35Å; V959-A962 PolarHBondContact O-N 3.43Å; V959-A963 WeakPolarHBondContact O-CB 3.49Å; V959-A963 PolarHBondContact O-N 3.02Å |
| 960 | R | 95.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 174.5 | -59.9 | -162.4 | -61.9 | -90.2 | 9.6 | 113.6 | L952 D954 K955 N956 A963 L964 D994 I999 | L952-R960 WeakPolarHBondContact O-CD 3.5Å; L952-R960 WeakPolarHBondContact O-CG 3.48Å; D954-R960 HydrophobicContact CB-CG 4.42Å; D954-R960 WeakPolarHBondContact O-CD 3.42Å; D954-R960 VanDerWaalsContact O-CG 3.24Å; D954-R960 WeakPolarHBondContact O-CG 3.35Å; D954-R960 PolarHBondContact O-NH1 2.8Å; K955-R960 VanDerWaalsContact C-NH1 3.26Å; K955-R960 PolarHBondContact O-NH1 2.91Å; N956-R960 PolarHBondContact O-N 3.21Å; R960-A963 PolarHBondContact O-N 3.33Å; R960-L964 WeakPolarHBondContact O-CG 3.47Å; R960-L964 PolarHBondContact O-N 2.94Å; R960-D994 IonicContact CZ-OD2 2.59Å; R960-D994 IonicContact NE-OD2 3.78Å; R960-D994 PolarHBondContact NE-OD2 2.93Å; R960-D994 IonicContact NH2-OD1 3.33Å; R960-D994 PolarHBondContact NH2-OD1 3.39Å; R960-D994 IonicContact NH2-OD2 3.9Å; R960-D994 PolarHBondContact NH2-OD2 3.12Å; R960-I999 HydrophobicContact CB-CD1 3.93Å |
| 961 | L | 94.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 58 Ų | 58 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 178.1 | -177.1 | 62.9 | 0 | 0 | 0 | 111.3 | W957 K958 V959 A963 L964 D965 I999 | W957-L961 HydrophobicContact CZ3-CD2 3.97Å; W957-L961 WeakPolarHBondContact O-CB 3.36Å; W957-L961 PolarHBondContact O-N 3.07Å; K958-L961 PolarHBondContact O-N 2.7Å; V959-L961 VanDerWaalsContact C-N 3.31Å; V959-L961 PolarHBondContact O-N 3.35Å; L961-A963 VanDerWaalsContact C-N 3.28Å; L961-A963 PolarHBondContact O-N 3.48Å; L961-L964 PolarHBondContact O-N 3.14Å; L961-D965 VanDerWaalsContact O-CG 3.31Å; L961-D965 PolarHBondContact O-N 2.74Å; L961-I999 HydrophobicContact CB-CG1 4.36Å |
| 962 | A | 94.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K958 V959 D965 K966 | K958-A962 WeakPolarHBondContact O-CB 3.45Å; K958-A962 PolarHBondContact O-N 3.16Å; V959-A962 PolarHBondContact O-N 3.43Å; A962-D965 PolarHBondContact O-N 2.71Å; A962-K966 WeakPolarHBondContact O-CG 3.44Å; A962-K966 PolarHBondContact O-N 3.25Å |
| 963 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L948 E951 L952 V959 R960 L961 D965 K966 V967 | L948-A963 HydrophobicContact CD1-CB 4.07Å; E951-A963 HydrophobicContact CB-CB 3.71Å; L952-A963 HydrophobicContact CD2-CB 3.72Å; L952-A963 HydrophobicContact CG-CB 3.88Å; V959-A963 WeakPolarHBondContact O-CB 3.49Å; V959-A963 PolarHBondContact O-N 3.02Å; R960-A963 PolarHBondContact O-N 3.33Å; L961-A963 VanDerWaalsContact C-N 3.28Å; L961-A963 PolarHBondContact O-N 3.48Å; A963-D965 VanDerWaalsContact C-N 3.33Å; A963-D965 PolarHBondContact O-N 2.88Å; A963-K966 WeakPolarHBondContact O-CB 3.44Å; A963-K966 PolarHBondContact O-N 2.57Å; A963-V967 WeakPolarHBondContact O-CG2 3.47Å; A963-V967 PolarHBondContact O-N 3.09Å |
| 964 | L | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 172.6 | -77 | 170.4 | 0 | 0 | 0 | 112.1 | L952 R960 L961 K966 V967 Q968 L988 R991 I999 A1003 V1006 | L952-L964 HydrophobicContact CD2-CD2 3.78Å; L952-L964 HydrophobicContact CD2-CG 3.83Å; R960-L964 WeakPolarHBondContact O-CG 3.47Å; R960-L964 PolarHBondContact O-N 2.94Å; L961-L964 PolarHBondContact O-N 3.14Å; L964-K966 VanDerWaalsContact C-N 3.34Å; L964-V967 PolarHBondContact O-N 3.11Å; L964-Q968 PolarHBondContact O-N 3.28Å; L964-L988 HydrophobicContact CD2-CD2 3.75Å; L964-R991 HydrophobicContact CD1-CB 4.35Å; L964-R991 HydrophobicContact CD1-CG 4.36Å; L964-R991 HydrophobicContact CD2-CG 4.35Å; L964-I999 HydrophobicContact CD1-CB 4.5Å; L964-I999 HydrophobicContact CD1-CG2 3.57Å; L964-A1003 HydrophobicContact CD1-CB 4.18Å; L964-A1003 HydrophobicContact CD2-CB 4.39Å; L964-V1006 HydrophobicContact CB-CG2 4.5Å; L964-V1006 HydrophobicContact CD2-CG2 4.26Å |
| 965 | D | 94.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.5 | -62.8 | -18 | 0 | 0 | 0 | 111.1 | L961 A962 A963 Q968 A969 S1002 | L961-D965 VanDerWaalsContact O-CG 3.31Å; L961-D965 PolarHBondContact O-N 2.74Å; A962-D965 PolarHBondContact O-N 2.71Å; A963-D965 VanDerWaalsContact C-N 3.33Å; A963-D965 PolarHBondContact O-N 2.88Å; D965-Q968 PolarHBondContact O-N 3.16Å; D965-A969 PolarHBondContact O-N 3.38Å; D965-S1002 PolarHBondContact OD1-OG 3.29Å |
| 966 | K | 94.7 | Very high | 91.5 | Very high | 96 Ų | 96 | 55.6 Ų | 55.6 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 171.4 | -70.2 | 174.6 | -174.5 | 175.1 | 0 | 111.6 | L948 E951 A962 A963 L964 Q968 A969 I970 | L948-K966 HydrophobicContact CD1-CB 4.2Å; L948-K966 HydrophobicContact CD1-CD 3.98Å; E951-K966 VanDerWaalsContact CD-NZ 3.3Å; E951-K966 IonicContact OE1-NZ 3.65Å; E951-K966 PolarHBondContact OE1-NZ 3.12Å; E951-K966 IonicContact OE2-NZ 2.68Å; E951-K966 PolarHBondContact OE2-NZ 2.85Å; A962-K966 WeakPolarHBondContact O-CG 3.44Å; A962-K966 PolarHBondContact O-N 3.25Å; A963-K966 WeakPolarHBondContact O-CB 3.44Å; A963-K966 PolarHBondContact O-N 2.57Å; L964-K966 VanDerWaalsContact C-N 3.34Å; K966-Q968 VanDerWaalsContact C-N 3.31Å; K966-Q968 PolarHBondContact O-N 3.29Å; K966-A969 PolarHBondContact O-N 3.07Å; K966-I970 WeakPolarHBondContact O-CG1 3.32Å; K966-I970 PolarHBondContact O-N 3.48Å |
| 967 | V | 95.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L948 L952 A963 L964 A969 I970 I971 L984 V1006 | L948-V967 HydrophobicContact CD1-CG2 4.5Å; L948-V967 HydrophobicContact CD2-CG2 3.8Å; L948-V967 HydrophobicContact CG-CG2 4.24Å; L952-V967 HydrophobicContact CD1-CG2 3.95Å; L952-V967 HydrophobicContact CD2-CG2 4.31Å; A963-V967 WeakPolarHBondContact O-CG2 3.47Å; A963-V967 PolarHBondContact O-N 3.09Å; L964-V967 PolarHBondContact O-N 3.11Å; V967-A969 VanDerWaalsContact C-N 3.33Å; V967-A969 PolarHBondContact O-N 3.46Å; V967-I970 PolarHBondContact O-N 3Å; V967-I971 HydrophobicContact CG1-CD1 3.78Å; V967-I971 WeakPolarHBondContact O-CD1 3.35Å; V967-I971 WeakPolarHBondContact O-CG1 3.4Å; V967-I971 PolarHBondContact O-N 3.01Å; V967-I971 VanDerWaalsContact O-N 3.11Å; V967-L984 HydrophobicContact CG1-CD1 3.86Å; V967-L984 HydrophobicContact CG1-CD2 3.8Å; V967-L984 HydrophobicContact CG1-CG 4.5Å; V967-L984 HydrophobicContact CG2-CD1 4.43Å; V967-V1006 HydrophobicContact CG1-CG1 3.82Å |
| 968 | Q | 94.4 | Very high | 91.1 | Very high | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 177.2 | -165.4 | 174.3 | -14.4 | 0 | 0 | 111.4 | L964 D965 K966 I971 V972 V1006 A1009 | L964-Q968 PolarHBondContact O-N 3.28Å; D965-Q968 PolarHBondContact O-N 3.16Å; K966-Q968 VanDerWaalsContact C-N 3.31Å; K966-Q968 PolarHBondContact O-N 3.29Å; Q968-I971 PolarHBondContact O-N 2.69Å; Q968-V972 VanDerWaalsContact O-CG2 3.31Å; Q968-V972 WeakPolarHBondContact O-CG2 3.39Å; Q968-V972 PolarHBondContact O-N 2.78Å; Q968-V972 VanDerWaalsContact O-N 3.07Å; Q968-V1006 HydrophobicContact CB-CG2 3.84Å; Q968-V1006 HydrophobicContact CG-CG2 4.35Å; Q968-A1009 HydrophobicContact CG-CB 4.49Å |
| 969 | A | 91.6 | Very high | 90.6 | Very high | 45 Ų | 45 | 43 Ų | 43 | 37% | 0.372 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D965 K966 V967 I971 V972 D973 | D965-A969 PolarHBondContact O-N 3.38Å; K966-A969 PolarHBondContact O-N 3.07Å; V967-A969 VanDerWaalsContact C-N 3.33Å; V967-A969 PolarHBondContact O-N 3.46Å; A969-I971 VanDerWaalsContact C-N 3.28Å; A969-I971 PolarHBondContact O-N 2.9Å; A969-V972 PolarHBondContact O-N 2.67Å; A969-D973 WeakPolarHBondContact O-CB 3.24Å; A969-D973 VanDerWaalsContact O-CG 3.26Å; A969-D973 PolarHBondContact O-N 2.89Å |
| 970 | I | 91.2 | Very high | 90.1 | Very high | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.9 | -45.1 | 176.8 | -69.5 | 165.4 | 0 | 0 | 0 | 111.5 | I940 L943 L948 K966 V967 S974 | I940-I970 HydrophobicContact CB-CG2 4.48Å; L943-I970 HydrophobicContact CB-CG2 3.9Å; L943-I970 HydrophobicContact CD1-CG2 3.83Å; L948-I970 HydrophobicContact CD2-CD1 3.92Å; K966-I970 WeakPolarHBondContact O-CG1 3.32Å; K966-I970 PolarHBondContact O-N 3.48Å; V967-I970 PolarHBondContact O-N 3Å; I970-S974 WeakPolarHBondContact O-CB 3.49Å; I970-S974 PolarHBondContact O-N 3.35Å; I970-S974 PolarHBondContact O-OG 3.14Å |
| 971 | I | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.1 | -45.7 | -179 | -68.5 | 157.9 | 0 | 0 | 0 | 111.3 | I940 V967 Q968 A969 S974 I977 L984 V1006 A1009 I1010 H1013 | I940-I971 HydrophobicContact CD1-CG1 4.06Å; V967-I971 HydrophobicContact CG1-CD1 3.78Å; V967-I971 WeakPolarHBondContact O-CD1 3.35Å; V967-I971 WeakPolarHBondContact O-CG1 3.4Å; V967-I971 PolarHBondContact O-N 3.01Å; V967-I971 VanDerWaalsContact O-N 3.11Å; Q968-I971 PolarHBondContact O-N 2.69Å; A969-I971 VanDerWaalsContact C-N 3.28Å; A969-I971 PolarHBondContact O-N 2.9Å; I971-S974 PolarHBondContact O-N 3.38Å; I971-I977 HydrophobicContact CG2-CD1 4.2Å; I971-L984 HydrophobicContact CD1-CD2 4.37Å; I971-V1006 HydrophobicContact CD1-CG1 3.76Å; I971-A1009 HydrophobicContact CG2-CB 3.88Å; I971-I1010 HydrophobicContact CD1-CD1 4.21Å; I971-I1010 HydrophobicContact CD1-CG1 3.61Å; I971-I1010 HydrophobicContact CG1-CG1 4.48Å; I971-H1013 HydrophobicContact CG2-CB 4.11Å |
| 972 | V | 88.3 | Confident | 89.3 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | -178.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | Q968 A969 S974 K975 A1009 | Q968-V972 VanDerWaalsContact O-CG2 3.31Å; Q968-V972 WeakPolarHBondContact O-CG2 3.39Å; Q968-V972 PolarHBondContact O-N 2.78Å; Q968-V972 VanDerWaalsContact O-N 3.07Å; A969-V972 PolarHBondContact O-N 2.67Å; V972-S974 VanDerWaalsContact C-N 3.29Å; V972-S974 PolarHBondContact O-N 2.98Å; V972-K975 PolarHBondContact O-N 3.41Å; V972-A1009 HydrophobicContact CG2-CB 4.44Å |
| 973 | D | 86.7 | Confident | 89 | Confident | 125 Ų | 125 | 49 Ų | 49 | 67% | 0.668 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.4 | -28.2 | -179.9 | -70.2 | -16.6 | 0 | 0 | 0 | 112.6 | A969 K975 | A969-D973 WeakPolarHBondContact O-CB 3.24Å; A969-D973 VanDerWaalsContact O-CG 3.26Å; A969-D973 PolarHBondContact O-N 2.89Å; D973-K975 PolarHBondContact O-N 3.03Å |
| 974 | S | 84.1 | Confident | 88.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14.1 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | I940 I970 I971 V972 C976 | I940-S974 WeakPolarHBondContact CG2-OG 3.48Å; I970-S974 WeakPolarHBondContact O-CB 3.49Å; I970-S974 PolarHBondContact O-N 3.35Å; I970-S974 PolarHBondContact O-OG 3.14Å; I971-S974 PolarHBondContact O-N 3.38Å; V972-S974 VanDerWaalsContact C-N 3.29Å; V972-S974 PolarHBondContact O-N 2.98Å; S974-C976 PolarHBondContact O-N 2.93Å |
| 975 | K | 80 | Confident | 88.6 | Confident | 153 Ų | 153 | 49.3 Ų | 49.3 | 67% | 0.665 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 58.5 | -54 | -177.9 | -61.2 | -178.3 | -179.7 | 179.6 | 0 | 116.3 | V972 D973 H1013 | V972-K975 PolarHBondContact O-N 3.41Å; D973-K975 PolarHBondContact O-N 3.03Å; K975-H1013 PolarHBondContact O-ND1 3.12Å |
| 976 | C | 81.5 | Confident | 88.5 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -134 | 109.2 | 178.1 | -163.4 | 0 | 0 | 0 | 0 | 110 | Q938 S974 H1013 | Q938-C976 PolarHBondContact N-O 3.41Å; S974-C976 PolarHBondContact O-N 2.93Å; C976-H1013 WeakPolarHBondContact CA-O 3.41Å |
| 977 | I | 88.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -98.1 | 147.8 | -175.1 | 62.7 | 178 | 0 | 0 | 0 | 111.8 | Q938 I940 I971 L981 I1010 H1013 G1014 | Q938-I977 WeakPolarHBondContact O-CA 3.46Å; I940-I977 HydrophobicContact CD1-CG2 4.39Å; I940-I977 HydrophobicContact CG2-CB 4.46Å; I940-I977 HydrophobicContact CG2-CG2 3.75Å; I971-I977 HydrophobicContact CG2-CD1 4.2Å; I977-L981 HydrophobicContact CD1-CD2 3.86Å; I977-I1010 HydrophobicContact CD1-CG2 4.39Å; I977-H1013 HydrophobicContact CG1-CB 4.36Å; I977-H1013 PolarHBondContact N-O 3.1Å; I977-G1014 VanDerWaalsContact CG1-CA 3.49Å |
| 978 | S | 84.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 45 Ų | 45 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | trans | -73.8 | 170.9 | 173.6 | 89.6 | 0 | 0 | 0 | 0 | 112.2 | Q938 R980 | Q938-S978 PolarHBondContact O-N 3.49Å; S978-R980 PolarHBondContact O-N 3Å; S978-R980 PolarHBondContact OG-N 3.42Å; S978-R980 VanDerWaalsContact OG-N 3.13Å | ||
| 979 | S | 82.6 | Confident | 88.5 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -70.7 | -9.3 | 174.2 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | L981 S1017 E1020 H1021 | S979-L981 PolarHBondContact O-N 2.98Å; S979-S1017 WeakPolarHBondContact CB-O 3.43Å; S979-E1020 WeakPolarHBondContact CB-OE2 3.29Å; S979-E1020 PolarHBondContact OG-OE2 2.87Å; S979-H1021 PolarHBondContact O-NE2 2.96Å |
| 980 | R | 84.4 | Confident | 88.5 | Confident | 173 Ų | 173 | 49.9 Ų | 49.9 | 65% | 0.653 | 27% | 0.267 | S | S | * | . | trans | -82.8 | 97.5 | 178.3 | -61.1 | -178.7 | -179.5 | -156.7 | 1.1 | 109.9 | D939 T941 S978 | D939-R980 WeakPolarHBondContact OD2-CD 3.49Å; T941-R980 PolarHBondContact OG1-O 2.86Å; S978-R980 PolarHBondContact O-N 3Å; S978-R980 PolarHBondContact OG-N 3.42Å; S978-R980 VanDerWaalsContact OG-N 3.13Å | ||
| 981 | L | 87 | Confident | 88.7 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | trans | -104.2 | 5.7 | 179.4 | -56.6 | -179 | 0 | 0 | 0 | 113.3 | I940 I977 S979 L984 P985 I1010 H1021 | I940-L981 HydrophobicContact CD1-CD2 4.01Å; I940-L981 HydrophobicContact CG1-CD2 4.35Å; I977-L981 HydrophobicContact CD1-CD2 3.86Å; S979-L981 PolarHBondContact O-N 2.98Å; L981-L984 WeakPolarHBondContact O-CB 3.38Å; L981-L984 PolarHBondContact O-N 3.31Å; L981-P985 HydrophobicContact CB-CG 3.96Å; L981-P985 HydrophobicContact CD1-CG 4.26Å; L981-I1010 HydrophobicContact CD1-CD1 4.39Å; L981-I1010 HydrophobicContact CD1-CG2 3.71Å; L981-H1021 VanDerWaalsContact CD1-CD2 3.48Å; L981-H1021 WeakPolarHBondContact CD1-CD2 3.23Å | ||
| 982 | G | 85.7 | Confident | 88.9 | Confident | 42 Ų | 42 | 49.3 Ų | 49.3 | 43% | 0.433 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | -136.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L984 P985 | G982-L984 VanDerWaalsContact C-N 3.25Å; G982-L984 PolarHBondContact O-N 3.09Å; G982-P985 WeakPolarHBondContact O-CD 3.48Å |
| 983 | P | 88.7 | Confident | 88.9 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.8 | -178.5 | 31.6 | -34.8 | 0 | 0 | 0 | 113.9 | V949 P985 S986 I987 | V949-P983 HydrophobicContact CG2-CG 3.89Å; P983-P985 VanDerWaalsContact C-CD 3.5Å; P983-S986 WeakPolarHBondContact O-CB 3.27Å; P983-S986 PolarHBondContact O-N 3.44Å; P983-S986 VanDerWaalsContact O-N 3.14Å; P983-I987 HydrophobicContact CB-CD1 4.07Å; P983-I987 HydrophobicContact CG-CD1 4.25Å; P983-I987 PolarHBondContact O-N 3.19Å |
| 984 | L | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -41.8 | -170.5 | -173.9 | 63.3 | 0 | 0 | 0 | 114.6 | I944 L952 V967 I971 L981 G982 S986 I987 L988 I1010 | I944-L984 HydrophobicContact CD1-CB 3.88Å; I944-L984 HydrophobicContact CD1-CD2 3.85Å; I944-L984 HydrophobicContact CD1-CG 4.34Å; L952-L984 HydrophobicContact CD1-CD1 4.39Å; V967-L984 HydrophobicContact CG1-CD1 3.86Å; V967-L984 HydrophobicContact CG1-CD2 3.8Å; V967-L984 HydrophobicContact CG1-CG 4.5Å; V967-L984 HydrophobicContact CG2-CD1 4.43Å; I971-L984 HydrophobicContact CD1-CD2 4.37Å; L981-L984 WeakPolarHBondContact O-CB 3.38Å; L981-L984 PolarHBondContact O-N 3.31Å; G982-L984 VanDerWaalsContact C-N 3.25Å; G982-L984 PolarHBondContact O-N 3.09Å; L984-S986 VanDerWaalsContact C-N 3.27Å; L984-S986 PolarHBondContact O-N 3.31Å; L984-I987 PolarHBondContact O-N 3.38Å; L984-L988 HydrophobicContact CD1-CD1 4.06Å; L984-L988 HydrophobicContact CD1-CD2 4.32Å; L984-L988 HydrophobicContact CD1-CG 3.85Å; L984-L988 HydrophobicContact CD2-CD1 4.18Å; L984-L988 HydrophobicContact CG-CD1 3.71Å; L984-L988 HydrophobicContact CG-CG 3.98Å; L984-L988 WeakPolarHBondContact O-CB 3.24Å; L984-L988 WeakPolarHBondContact O-CG 3.3Å; L984-L988 PolarHBondContact O-N 2.9Å; L984-I1010 HydrophobicContact CD2-CD1 3.98Å |
| 985 | P | 93 | Very high | 89.2 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -37.4 | 178.6 | -25.5 | 35.6 | 0 | 0 | 0 | 113.4 | L981 G982 P983 K989 H1021 I1024 I1025 | L981-P985 HydrophobicContact CB-CG 3.96Å; L981-P985 HydrophobicContact CD1-CG 4.26Å; G982-P985 WeakPolarHBondContact O-CD 3.48Å; P983-P985 VanDerWaalsContact C-CD 3.5Å; P985-K989 WeakPolarHBondContact O-CB 3.22Å; P985-K989 PolarHBondContact O-N 2.91Å; P985-K989 VanDerWaalsContact O-N 3.08Å; P985-H1021 WeakPolarHBondContact CG-ND1 3.46Å; P985-I1024 HydrophobicContact CB-CG2 4.13Å; P985-I1024 WeakPolarHBondContact O-CG2 3.48Å; P985-I1025 HydrophobicContact CB-CD1 4.05Å; P985-I1025 HydrophobicContact CB-CG1 4.18Å; P985-I1025 HydrophobicContact CG-CD1 4.47Å |
| 986 | S | 92.8 | Very high | 89.6 | Confident | 83 Ų | 83 | 43.7 Ų | 43.7 | 58% | 0.58 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.5 | -44.3 | 177.8 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | P983 L984 K989 Q990 | P983-S986 WeakPolarHBondContact O-CB 3.27Å; P983-S986 PolarHBondContact O-N 3.44Å; P983-S986 VanDerWaalsContact O-N 3.14Å; L984-S986 VanDerWaalsContact C-N 3.27Å; L984-S986 PolarHBondContact O-N 3.31Å; S986-K989 WeakPolarHBondContact O-CB 3.49Å; S986-K989 PolarHBondContact O-N 3.15Å; S986-Q990 PolarHBondContact O-N 2.92Å |
| 987 | I | 93 | Very high | 89.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 178.7 | -62.3 | 166.2 | 0 | 0 | 0 | 110.6 | V949 L952 P983 L984 K989 Q990 R991 | V949-I987 HydrophobicContact CB-CD1 4.29Å; V949-I987 HydrophobicContact CG1-CD1 3.74Å; V949-I987 HydrophobicContact CG2-CD1 3.97Å; L952-I987 HydrophobicContact CB-CG2 3.68Å; L952-I987 HydrophobicContact CD1-CD1 4.36Å; L952-I987 HydrophobicContact CD1-CG2 3.98Å; L952-I987 HydrophobicContact CG-CG2 4.3Å; P983-I987 HydrophobicContact CB-CD1 4.07Å; P983-I987 HydrophobicContact CG-CD1 4.25Å; P983-I987 PolarHBondContact O-N 3.19Å; L984-I987 PolarHBondContact O-N 3.38Å; I987-K989 VanDerWaalsContact C-N 3.35Å; I987-K989 PolarHBondContact O-N 3.46Å; I987-Q990 WeakPolarHBondContact O-CA 3.35Å; I987-Q990 VanDerWaalsContact O-CB 3.32Å; I987-Q990 WeakPolarHBondContact O-CB 3.44Å; I987-Q990 PolarHBondContact O-N 2.95Å; I987-R991 HydrophobicContact CG2-CG 4.38Å; I987-R991 WeakPolarHBondContact O-CG 3.3Å; I987-R991 PolarHBondContact O-N 3.34Å |
| 988 | L | 95.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.1 | -72.5 | 175.7 | 0 | 0 | 0 | 111.8 | L964 L984 Q990 R991 L992 A1003 V1006 I1010 I1025 | L964-L988 HydrophobicContact CD2-CD2 3.75Å; L984-L988 HydrophobicContact CD1-CD1 4.06Å; L984-L988 HydrophobicContact CD1-CD2 4.32Å; L984-L988 HydrophobicContact CD1-CG 3.85Å; L984-L988 HydrophobicContact CD2-CD1 4.18Å; L984-L988 HydrophobicContact CG-CD1 3.71Å; L984-L988 HydrophobicContact CG-CG 3.98Å; L984-L988 WeakPolarHBondContact O-CB 3.24Å; L984-L988 WeakPolarHBondContact O-CG 3.3Å; L984-L988 PolarHBondContact O-N 2.9Å; L988-Q990 PolarHBondContact O-N 3.07Å; L988-R991 PolarHBondContact O-N 3.22Å; L988-R991 VanDerWaalsContact O-N 3.09Å; L988-L992 WeakPolarHBondContact O-CB 3.37Å; L988-L992 VanDerWaalsContact O-CG 3.24Å; L988-L992 WeakPolarHBondContact O-CG 3.3Å; L988-L992 PolarHBondContact O-N 2.82Å; L988-A1003 HydrophobicContact CD2-CB 4.43Å; L988-V1006 HydrophobicContact CD1-CG1 3.87Å; L988-V1006 HydrophobicContact CD2-CB 4.1Å; L988-V1006 HydrophobicContact CD2-CG1 3.79Å; L988-V1006 HydrophobicContact CG-CG1 4.48Å; L988-I1010 HydrophobicContact CD1-CD1 3.39Å; L988-I1025 HydrophobicContact CD1-CD1 4.49Å |
| 989 | K | 95.2 | Very high | 90.1 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 45% | 0.452 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.7 | -39.1 | 172.3 | 174.3 | 170 | -179.9 | 177.9 | 0 | 111.8 | P985 S986 I987 I1024 A1028 | P985-K989 WeakPolarHBondContact O-CB 3.22Å; P985-K989 PolarHBondContact O-N 2.91Å; P985-K989 VanDerWaalsContact O-N 3.08Å; S986-K989 WeakPolarHBondContact O-CB 3.49Å; S986-K989 PolarHBondContact O-N 3.15Å; I987-K989 VanDerWaalsContact C-N 3.35Å; I987-K989 PolarHBondContact O-N 3.46Å; K989-I1024 HydrophobicContact CB-CG2 4.12Å; K989-I1024 HydrophobicContact CD-CG2 3.96Å; K989-A1028 HydrophobicContact CB-CB 4.18Å; K989-A1028 HydrophobicContact CG-CB 3.94Å |
| 990 | Q | 92.9 | Very high | 90.6 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.4 | -42.4 | 174.7 | -162.5 | -169.5 | 24 | 0 | 0 | 112.4 | S986 I987 L988 G993 D994 | S986-Q990 PolarHBondContact O-N 2.92Å; I987-Q990 WeakPolarHBondContact O-CA 3.35Å; I987-Q990 VanDerWaalsContact O-CB 3.32Å; I987-Q990 WeakPolarHBondContact O-CB 3.44Å; I987-Q990 PolarHBondContact O-N 2.95Å; L988-Q990 PolarHBondContact O-N 3.07Å; Q990-G993 CarbonylContact O-C 3.54Å; Q990-G993 PolarHBondContact O-N 3.21Å; Q990-D994 PolarHBondContact O-N 3.5Å |
| 991 | R | 95 | Very high | 91 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 7% | 0.068 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.6 | -30.7 | -179.2 | -65.4 | -49.7 | 101.4 | -169.4 | 22.1 | 113.8 | L964 I987 L988 G993 D994 I999 A1003 | L964-R991 HydrophobicContact CD1-CB 4.35Å; L964-R991 HydrophobicContact CD1-CG 4.36Å; L964-R991 HydrophobicContact CD2-CG 4.35Å; I987-R991 HydrophobicContact CG2-CG 4.38Å; I987-R991 WeakPolarHBondContact O-CG 3.3Å; I987-R991 PolarHBondContact O-N 3.34Å; L988-R991 PolarHBondContact O-N 3.22Å; L988-R991 VanDerWaalsContact O-N 3.09Å; R991-G993 PolarHBondContact O-N 3.1Å; R991-D994 IonicContact CZ-OD2 3.16Å; R991-D994 IonicContact NH1-OD2 3.77Å; R991-D994 PolarHBondContact NH1-OD2 2.83Å; R991-D994 WeakPolarHBondContact O-CB 3.35Å; R991-D994 PolarHBondContact O-N 3.45Å; R991-D994 VanDerWaalsContact O-N 3.09Å; R991-I999 HydrophobicContact CB-CG2 4.04Å; R991-I999 HydrophobicContact CG-CG2 4.36Å; R991-A1003 HydrophobicContact CB-CB 3.83Å |
| 992 | L | 94.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -31 | 171.1 | -74.9 | 171 | 0 | 0 | 0 | 111.8 | L988 A1003 L1004 A1028 I1029 I1032 | L988-L992 WeakPolarHBondContact O-CB 3.37Å; L988-L992 VanDerWaalsContact O-CG 3.24Å; L988-L992 WeakPolarHBondContact O-CG 3.3Å; L988-L992 PolarHBondContact O-N 2.82Å; L992-A1003 HydrophobicContact CD2-CB 3.94Å; L992-A1003 HydrophobicContact CG-CB 4.16Å; L992-L1004 HydrophobicContact CD2-CB 4.36Å; L992-L1004 HydrophobicContact CD2-CD2 3.78Å; L992-L1004 HydrophobicContact CD2-CG 3.69Å; L992-A1028 HydrophobicContact CB-CB 4.44Å; L992-A1028 HydrophobicContact CD1-CB 3.56Å; L992-I1029 HydrophobicContact CD1-CG1 4.15Å; L992-I1032 HydrophobicContact CB-CD1 3.93Å; L992-I1032 HydrophobicContact CD2-CD1 3.52Å; L992-I1032 HydrophobicContact CG-CD1 4.26Å |
| 993 | G | 88.9 | Confident | 91.8 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 68% | 0.68 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q990 R991 | Q990-G993 CarbonylContact O-C 3.54Å; Q990-G993 PolarHBondContact O-N 3.21Å; R991-G993 PolarHBondContact O-N 3.1Å |
| 994 | D | 92.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | trans | -62.1 | 144.3 | -176 | -161.2 | -56.1 | 0 | 0 | 0 | 111.3 | R960 Q990 R991 N996 I999 | R960-D994 IonicContact CZ-OD2 2.59Å; R960-D994 IonicContact NE-OD2 3.78Å; R960-D994 PolarHBondContact NE-OD2 2.93Å; R960-D994 IonicContact NH2-OD1 3.33Å; R960-D994 PolarHBondContact NH2-OD1 3.39Å; R960-D994 IonicContact NH2-OD2 3.9Å; R960-D994 PolarHBondContact NH2-OD2 3.12Å; Q990-D994 PolarHBondContact O-N 3.5Å; R991-D994 IonicContact CZ-OD2 3.16Å; R991-D994 IonicContact NH1-OD2 3.77Å; R991-D994 PolarHBondContact NH1-OD2 2.83Å; R991-D994 WeakPolarHBondContact O-CB 3.35Å; R991-D994 PolarHBondContact O-N 3.45Å; R991-D994 VanDerWaalsContact O-N 3.09Å; D994-N996 PolarHBondContact O-N 2.55Å; D994-N996 PolarHBondContact OD1-N 3.43Å; D994-I999 HydrophobicContact CB-CB 4.03Å; D994-I999 HydrophobicContact CB-CG2 3.78Å; D994-I999 WeakPolarHBondContact OD2-CD1 3.39Å | ||
| 995 | S | 84.6 | Confident | 92.3 | Very high | 116 Ų | 116 | 38.6 Ų | 38.6 | 81% | 0.811 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -63 | -29.1 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 996 | N | 88.7 | Confident | 92.5 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 23% | 0.225 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -86.3 | 115.5 | 172.6 | -168.6 | -17 | 0 | 0 | 0 | 111.9 | D994 S998 I999 A1000 | D994-N996 PolarHBondContact O-N 2.55Å; D994-N996 PolarHBondContact OD1-N 3.43Å; N996-S998 VanDerWaalsContact C-N 3.28Å; N996-S998 PolarHBondContact ND2-OG 3.24Å; N996-S998 PolarHBondContact O-N 3.06Å; N996-S998 PolarHBondContact OD1-N 3.1Å; N996-S998 PolarHBondContact OD1-OG 2.99Å; N996-I999 HydrophobicContact CB-CD1 4.14Å; N996-I999 HydrophobicContact CB-CG1 4.19Å; N996-I999 WeakPolarHBondContact O-CB 3.32Å; N996-I999 PolarHBondContact O-N 2.9Å; N996-I999 VanDerWaalsContact O-N 3.13Å; N996-A1000 PolarHBondContact O-N 3.03Å |
| 997 | K | 87.5 | Confident | 92.7 | Very high | 89 Ų | 89 | 34.3 Ų | 34.3 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.2 | -23.9 | -178.5 | -59.5 | -63.7 | 172.4 | 177.7 | 0 | 114.2 | I999 A1000 Q1001 D1035 | K997-I999 VanDerWaalsContact C-N 3.32Å; K997-A1000 PolarHBondContact O-N 2.94Å; K997-Q1001 VanDerWaalsContact O-CG 3.29Å; K997-Q1001 WeakPolarHBondContact O-CG 3.32Å; K997-Q1001 PolarHBondContact O-N 3.45Å; K997-D1035 VanDerWaalsContact CE-OD2 3.27Å; K997-D1035 WeakPolarHBondContact CE-OD2 3.25Å; K997-D1035 IonicContact NZ-OD2 3.7Å; K997-D1035 PolarHBondContact NZ-OD2 3.03Å |
| 998 | S | 87.2 | Confident | 92.8 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 34% | 0.336 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67 | -38 | 173.8 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | N996 Q1001 S1002 | N996-S998 VanDerWaalsContact C-N 3.28Å; N996-S998 PolarHBondContact ND2-OG 3.24Å; N996-S998 PolarHBondContact O-N 3.06Å; N996-S998 PolarHBondContact OD1-N 3.1Å; N996-S998 PolarHBondContact OD1-OG 2.99Å; S998-Q1001 PolarHBondContact O-N 2.97Å; S998-S1002 PolarHBondContact O-N 3.43Å |
| 999 | I | 91.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.1 | -47.2 | 174.5 | -63.9 | -177.9 | 0 | 0 | 0 | 109.8 | W957 R960 L961 L964 R991 D994 N996 K997 Q1001 S1002 A1003 | W957-I999 HydrophobicContact CB-CD1 3.63Å; W957-I999 WeakPolarHBondContact O-CD1 3.42Å; R960-I999 HydrophobicContact CB-CD1 3.93Å; L961-I999 HydrophobicContact CB-CG1 4.36Å; L964-I999 HydrophobicContact CD1-CB 4.5Å; L964-I999 HydrophobicContact CD1-CG2 3.57Å; R991-I999 HydrophobicContact CB-CG2 4.04Å; R991-I999 HydrophobicContact CG-CG2 4.36Å; D994-I999 HydrophobicContact CB-CB 4.03Å; D994-I999 HydrophobicContact CB-CG2 3.78Å; D994-I999 WeakPolarHBondContact OD2-CD1 3.39Å; N996-I999 HydrophobicContact CB-CD1 4.14Å; N996-I999 HydrophobicContact CB-CG1 4.19Å; N996-I999 WeakPolarHBondContact O-CB 3.32Å; N996-I999 PolarHBondContact O-N 2.9Å; N996-I999 VanDerWaalsContact O-N 3.13Å; K997-I999 VanDerWaalsContact C-N 3.32Å; I999-Q1001 VanDerWaalsContact C-N 3.25Å; I999-Q1001 PolarHBondContact O-N 3.24Å; I999-S1002 PolarHBondContact O-N 2.86Å; I999-S1002 VanDerWaalsContact O-N 3.16Å; I999-A1003 VanDerWaalsContact O-CB 3.29Å; I999-A1003 WeakPolarHBondContact O-CB 3.32Å; I999-A1003 PolarHBondContact O-N 2.9Å |
| 1000 | A | 92.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N996 K997 L1004 | N996-A1000 PolarHBondContact O-N 3.03Å; K997-A1000 PolarHBondContact O-N 2.94Å; A1000-L1004 WeakPolarHBondContact O-CG 3.41Å; A1000-L1004 PolarHBondContact O-N 3.4Å |
| 1001 | Q | 92.4 | Very high | 92.6 | Very high | 52 Ų | 52 | 27.3 Ų | 27.3 | 24% | 0.243 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -42.8 | 174 | -70.6 | -64.8 | -65.8 | 0 | 0 | 112.8 | K997 S998 I999 A1003 L1004 N1005 N1043 | K997-Q1001 VanDerWaalsContact O-CG 3.29Å; K997-Q1001 WeakPolarHBondContact O-CG 3.32Å; K997-Q1001 PolarHBondContact O-N 3.45Å; S998-Q1001 PolarHBondContact O-N 2.97Å; I999-Q1001 VanDerWaalsContact C-N 3.25Å; I999-Q1001 PolarHBondContact O-N 3.24Å; Q1001-A1003 VanDerWaalsContact C-N 3.35Å; Q1001-L1004 WeakPolarHBondContact O-CB 3.37Å; Q1001-L1004 PolarHBondContact O-N 3.39Å; Q1001-N1005 PolarHBondContact O-N 3.25Å; Q1001-N1005 VanDerWaalsContact O-N 3.1Å; Q1001-N1005 PolarHBondContact O-OD1 3.03Å; Q1001-N1043 PolarHBondContact OE1-ND2 2.98Å |
| 1002 | S | 94 | Very high | 92.5 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 7% | 0.07 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 176 | -158.2 | 0 | 0 | 0 | 0 | 111.2 | D965 S998 I999 L1004 N1005 V1006 | D965-S1002 PolarHBondContact OD1-OG 3.29Å; S998-S1002 PolarHBondContact O-N 3.43Å; I999-S1002 PolarHBondContact O-N 2.86Å; I999-S1002 VanDerWaalsContact O-N 3.16Å; S1002-L1004 VanDerWaalsContact C-N 3.33Å; S1002-L1004 PolarHBondContact O-N 3.28Å; S1002-N1005 WeakPolarHBondContact O-CB 3.42Å; S1002-N1005 PolarHBondContact O-N 3.01Å; S1002-N1005 VanDerWaalsContact O-N 3.08Å; S1002-V1006 WeakPolarHBondContact O-CG2 3.42Å; S1002-V1006 PolarHBondContact O-N 3.17Å |
| 1003 | A | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L964 L988 R991 L992 I999 Q1001 N1005 V1006 C1007 | L964-A1003 HydrophobicContact CD1-CB 4.18Å; L964-A1003 HydrophobicContact CD2-CB 4.39Å; L988-A1003 HydrophobicContact CD2-CB 4.43Å; R991-A1003 HydrophobicContact CB-CB 3.83Å; L992-A1003 HydrophobicContact CD2-CB 3.94Å; L992-A1003 HydrophobicContact CG-CB 4.16Å; I999-A1003 VanDerWaalsContact O-CB 3.29Å; I999-A1003 WeakPolarHBondContact O-CB 3.32Å; I999-A1003 PolarHBondContact O-N 2.9Å; Q1001-A1003 VanDerWaalsContact C-N 3.35Å; A1003-N1005 VanDerWaalsContact C-N 3.35Å; A1003-V1006 PolarHBondContact O-N 3.06Å; A1003-C1007 PolarHBondContact O-N 3.33Å; A1003-C1007 PolarHBondContact O-SG 2.93Å |
| 1004 | L | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 171.8 | -85.5 | 172 | 0 | 0 | 0 | 112.2 | L992 A1000 Q1001 S1002 C1007 Q1008 I1029 I1032 A1044 V1047 | L992-L1004 HydrophobicContact CD2-CB 4.36Å; L992-L1004 HydrophobicContact CD2-CD2 3.78Å; L992-L1004 HydrophobicContact CD2-CG 3.69Å; A1000-L1004 WeakPolarHBondContact O-CG 3.41Å; A1000-L1004 PolarHBondContact O-N 3.4Å; Q1001-L1004 WeakPolarHBondContact O-CB 3.37Å; Q1001-L1004 PolarHBondContact O-N 3.39Å; S1002-L1004 VanDerWaalsContact C-N 3.33Å; S1002-L1004 PolarHBondContact O-N 3.28Å; L1004-C1007 PolarHBondContact O-N 3.37Å; L1004-Q1008 PolarHBondContact O-N 3.35Å; L1004-I1029 HydrophobicContact CD2-CG1 4.16Å; L1004-I1029 HydrophobicContact CD2-CG2 4.16Å; L1004-I1032 HydrophobicContact CD1-CD1 3.97Å; L1004-I1032 HydrophobicContact CD1-CG2 4.39Å; L1004-I1032 HydrophobicContact CD2-CD1 3.9Å; L1004-I1032 HydrophobicContact CG-CD1 3.83Å; L1004-A1044 HydrophobicContact CD1-CB 4.18Å; L1004-A1044 HydrophobicContact CD2-CB 4.29Å; L1004-V1047 HydrophobicContact CB-CG2 4.38Å; L1004-V1047 HydrophobicContact CD2-CB 4.23Å; L1004-V1047 HydrophobicContact CD2-CG1 4.31Å; L1004-V1047 HydrophobicContact CD2-CG2 4.31Å |
| 1005 | N | 95.2 | Very high | 92.1 | Very high | 52 Ų | 52 | 28.9 Ų | 28.9 | 28% | 0.278 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.5 | -62.5 | -20.6 | 0 | 0 | 0 | 111.6 | Q1001 S1002 A1003 Q1008 A1009 | Q1001-N1005 PolarHBondContact O-N 3.25Å; Q1001-N1005 VanDerWaalsContact O-N 3.1Å; Q1001-N1005 PolarHBondContact O-OD1 3.03Å; S1002-N1005 WeakPolarHBondContact O-CB 3.42Å; S1002-N1005 PolarHBondContact O-N 3.01Å; S1002-N1005 VanDerWaalsContact O-N 3.08Å; A1003-N1005 VanDerWaalsContact C-N 3.35Å; N1005-Q1008 WeakPolarHBondContact O-CB 3.23Å; N1005-Q1008 PolarHBondContact O-N 2.94Å; N1005-A1009 PolarHBondContact O-N 2.99Å |
| 1006 | V | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 172.5 | 176 | 0 | 0 | 0 | 0 | 110.4 | L964 V967 Q968 I971 L988 S1002 A1003 Q1008 A1009 I1010 | L964-V1006 HydrophobicContact CB-CG2 4.5Å; L964-V1006 HydrophobicContact CD2-CG2 4.26Å; V967-V1006 HydrophobicContact CG1-CG1 3.82Å; Q968-V1006 HydrophobicContact CB-CG2 3.84Å; Q968-V1006 HydrophobicContact CG-CG2 4.35Å; I971-V1006 HydrophobicContact CD1-CG1 3.76Å; L988-V1006 HydrophobicContact CD1-CG1 3.87Å; L988-V1006 HydrophobicContact CD2-CB 4.1Å; L988-V1006 HydrophobicContact CD2-CG1 3.79Å; L988-V1006 HydrophobicContact CG-CG1 4.48Å; S1002-V1006 WeakPolarHBondContact O-CG2 3.42Å; S1002-V1006 PolarHBondContact O-N 3.17Å; A1003-V1006 PolarHBondContact O-N 3.06Å; V1006-Q1008 VanDerWaalsContact C-N 3.27Å; V1006-Q1008 PolarHBondContact O-N 3.13Å; V1006-A1009 PolarHBondContact O-N 3.34Å; V1006-I1010 HydrophobicContact CG1-CD1 4.2Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.47Å; V1006-I1010 PolarHBondContact O-N 3.38Å |
| 1007 | C | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 175.4 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | A1003 L1004 A1011 I1025 I1029 V1047 W1051 | A1003-C1007 PolarHBondContact O-N 3.33Å; A1003-C1007 PolarHBondContact O-SG 2.93Å; L1004-C1007 PolarHBondContact O-N 3.37Å; C1007-A1011 PolarHBondContact O-N 3.4Å; C1007-I1025 HydrophobicContact CB-CG2 4.03Å; C1007-I1029 HydrophobicContact CB-CD1 4.18Å; C1007-V1047 HydrophobicContact CB-CG1 4.31Å; C1007-W1051 PolarHBondContact O-NE1 3.44Å |
| 1008 | Q | 95.7 | Very high | 92 | Very high | 50 Ų | 50 | 23.2 Ų | 23.2 | 23% | 0.234 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 174.6 | -166.3 | 179.6 | -2.9 | 0 | 0 | 111.5 | L1004 N1005 V1006 I1010 A1011 V1012 V1047 T1050 | L1004-Q1008 PolarHBondContact O-N 3.35Å; N1005-Q1008 WeakPolarHBondContact O-CB 3.23Å; N1005-Q1008 PolarHBondContact O-N 2.94Å; V1006-Q1008 VanDerWaalsContact C-N 3.27Å; V1006-Q1008 PolarHBondContact O-N 3.13Å; Q1008-I1010 VanDerWaalsContact C-N 3.34Å; Q1008-I1010 PolarHBondContact O-N 3.04Å; Q1008-A1011 PolarHBondContact O-N 3.18Å; Q1008-A1011 VanDerWaalsContact O-N 3.14Å; Q1008-V1012 WeakPolarHBondContact O-CG2 3.3Å; Q1008-V1012 PolarHBondContact O-N 3.02Å; Q1008-V1012 VanDerWaalsContact O-N 3.08Å; Q1008-V1047 HydrophobicContact CB-CG1 3.98Å; Q1008-V1047 HydrophobicContact CB-CG2 3.96Å; Q1008-V1047 HydrophobicContact CG-CG2 4.29Å; Q1008-T1050 HydrophobicContact CG-CG2 4.14Å |
| 1009 | A | 93.8 | Very high | 92.1 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q968 I971 V972 N1005 V1006 A1011 V1012 H1013 | Q968-A1009 HydrophobicContact CG-CB 4.49Å; I971-A1009 HydrophobicContact CG2-CB 3.88Å; V972-A1009 HydrophobicContact CG2-CB 4.44Å; N1005-A1009 PolarHBondContact O-N 2.99Å; V1006-A1009 PolarHBondContact O-N 3.34Å; A1009-A1011 VanDerWaalsContact C-N 3.28Å; A1009-A1011 PolarHBondContact O-N 3.29Å; A1009-V1012 PolarHBondContact O-N 3.34Å; A1009-H1013 WeakPolarHBondContact O-CB 3.33Å; A1009-H1013 PolarHBondContact O-CD2 3.39Å; A1009-H1013 VanDerWaalsContact O-CD2 3.24Å; A1009-H1013 PolarHBondContact O-N 3.43Å |
| 1010 | I | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.1 | -44.7 | 173.7 | -68.5 | 171.3 | 0 | 0 | 0 | 110.7 | I971 I977 L981 L984 L988 V1006 Q1008 G1014 I1018 I1025 W1051 | I971-I1010 HydrophobicContact CD1-CD1 4.21Å; I971-I1010 HydrophobicContact CD1-CG1 3.61Å; I971-I1010 HydrophobicContact CG1-CG1 4.48Å; I977-I1010 HydrophobicContact CD1-CG2 4.39Å; L981-I1010 HydrophobicContact CD1-CD1 4.39Å; L981-I1010 HydrophobicContact CD1-CG2 3.71Å; L984-I1010 HydrophobicContact CD2-CD1 3.98Å; L988-I1010 HydrophobicContact CD1-CD1 3.39Å; V1006-I1010 HydrophobicContact CG1-CD1 4.2Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.47Å; V1006-I1010 PolarHBondContact O-N 3.38Å; Q1008-I1010 VanDerWaalsContact C-N 3.34Å; Q1008-I1010 PolarHBondContact O-N 3.04Å; I1010-G1014 WeakPolarHBondContact O-CA 3.29Å; I1010-G1014 PolarHBondContact O-N 2.88Å; I1010-I1018 HydrophobicContact CG2-CG2 4.25Å; I1010-I1018 WeakPolarHBondContact O-CG2 3.5Å; I1010-I1025 HydrophobicContact CD1-CD1 4.45Å; I1010-W1051 HydrophobicContact CB-CZ2 4.34Å; I1010-W1051 HydrophobicContact CG2-CH2 4.1Å; I1010-W1051 HydrophobicContact CG2-CZ2 4.03Å |
| 1011 | A | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | C1007 Q1008 A1009 G1015 I1018 T1050 W1051 N1054 | C1007-A1011 PolarHBondContact O-N 3.4Å; Q1008-A1011 PolarHBondContact O-N 3.18Å; Q1008-A1011 VanDerWaalsContact O-N 3.14Å; A1009-A1011 VanDerWaalsContact C-N 3.28Å; A1009-A1011 PolarHBondContact O-N 3.29Å; A1011-G1015 PolarHBondContact O-N 3.3Å; A1011-I1018 VanDerWaalsContact CA-CD1 3.45Å; A1011-I1018 HydrophobicContact CB-CD1 3.63Å; A1011-T1050 HydrophobicContact CB-CG2 4.17Å; A1011-W1051 HydrophobicContact CB-CD2 4.06Å; A1011-W1051 HydrophobicContact CB-CG 3.94Å; A1011-W1051 HydrophobicContact CB-CZ2 4.44Å; A1011-N1054 WeakPolarHBondContact O-CB 3.13Å; A1011-N1054 VanDerWaalsContact O-CG 3.27Å; A1011-N1054 PolarHBondContact O-OD1 3.16Å |
| 1012 | V | 93.2 | Very high | 92.1 | Very high | 77 Ų | 77 | 30.8 Ų | 30.8 | 47% | 0.467 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.8 | -44.8 | -178.8 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | Q1008 A1009 T1050 | Q1008-V1012 WeakPolarHBondContact O-CG2 3.3Å; Q1008-V1012 PolarHBondContact O-N 3.02Å; Q1008-V1012 VanDerWaalsContact O-N 3.08Å; A1009-V1012 PolarHBondContact O-N 3.34Å; V1012-T1050 HydrophobicContact CG2-CG2 3.67Å |
| 1013 | H | 90.7 | Very high | 92 | Very high | 43 Ų | 43 | 38.6 Ų | 38.6 | 20% | 0.199 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -86.3 | -21.1 | -175.1 | -68 | -73.1 | 0 | 0 | 0 | 113.7 | I971 K975 C976 I977 A1009 | I971-H1013 HydrophobicContact CG2-CB 4.11Å; K975-H1013 PolarHBondContact O-ND1 3.12Å; C976-H1013 WeakPolarHBondContact CA-O 3.41Å; I977-H1013 HydrophobicContact CG1-CB 4.36Å; I977-H1013 PolarHBondContact N-O 3.1Å; A1009-H1013 WeakPolarHBondContact O-CB 3.33Å; A1009-H1013 PolarHBondContact O-CD2 3.39Å; A1009-H1013 VanDerWaalsContact O-CD2 3.24Å; A1009-H1013 PolarHBondContact O-N 3.43Å |
| 1014 | G | 87.5 | Confident | 91.8 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -89.8 | -19.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I977 I1010 S1017 | I977-G1014 VanDerWaalsContact CG1-CA 3.49Å; I1010-G1014 WeakPolarHBondContact O-CA 3.29Å; I1010-G1014 PolarHBondContact O-N 2.88Å; G1014-S1017 PolarHBondContact O-N 2.87Å |
| 1015 | G | 88 | Confident | 91.8 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 55.2 | -143.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1011 S1017 I1018 | A1011-G1015 PolarHBondContact O-N 3.3Å; G1015-S1017 PolarHBondContact O-N 2.98Å; G1015-S1017 VanDerWaalsContact O-N 3.08Å; G1015-I1018 VanDerWaalsContact O-CG1 3.22Å; G1015-I1018 WeakPolarHBondContact O-CG1 3.43Å; G1015-I1018 WeakPolarHBondContact O-CG2 3.48Å; G1015-I1018 PolarHBondContact O-N 2.64Å |
| 1016 | P | 85.7 | Confident | 91.7 | Very high | 95 Ų | 95 | 39.2 Ų | 39.2 | 62% | 0.617 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -60.1 | -21.3 | -177.5 | -25.6 | 35 | 0 | 0 | 0 | 115.6 | I1018 K1019 N1054 | P1016-I1018 PolarHBondContact O-N 2.86Å; P1016-K1019 WeakPolarHBondContact O-CG 3.49Å; P1016-N1054 VanDerWaalsContact CA-O 3.31Å; P1016-N1054 WeakPolarHBondContact CA-O 3.47Å |
| 1017 | S | 84.2 | Confident | 91.5 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -70.5 | -17.4 | -178.7 | -67.9 | 0 | 0 | 0 | 0 | 113 | K937 S979 G1014 G1015 K1019 | K937-S1017 PolarHBondContact NZ-OG 2.83Å; S979-S1017 WeakPolarHBondContact CB-O 3.43Å; G1014-S1017 PolarHBondContact O-N 2.87Å; G1015-S1017 PolarHBondContact O-N 2.98Å; G1015-S1017 VanDerWaalsContact O-N 3.08Å; S1017-K1019 PolarHBondContact O-N 3.34Å |
| 1018 | I | 88.7 | Confident | 91.4 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -70.6 | -9.9 | 179.5 | 74 | -172.4 | 0 | 0 | 0 | 114 | I1010 A1011 G1015 P1016 E1020 H1021 W1051 N1054 A1055 | I1010-I1018 HydrophobicContact CG2-CG2 4.25Å; I1010-I1018 WeakPolarHBondContact O-CG2 3.5Å; A1011-I1018 VanDerWaalsContact CA-CD1 3.45Å; A1011-I1018 HydrophobicContact CB-CD1 3.63Å; G1015-I1018 VanDerWaalsContact O-CG1 3.22Å; G1015-I1018 WeakPolarHBondContact O-CG1 3.43Å; G1015-I1018 WeakPolarHBondContact O-CG2 3.48Å; G1015-I1018 PolarHBondContact O-N 2.64Å; P1016-I1018 PolarHBondContact O-N 2.86Å; I1018-E1020 PolarHBondContact O-N 3.17Å; I1018-H1021 PolarHBondContact O-N 2.71Å; I1018-W1051 HydrophobicContact CB-CH2 4.35Å; I1018-W1051 HydrophobicContact CB-CZ3 4.08Å; I1018-W1051 HydrophobicContact CD1-CD2 4.28Å; I1018-W1051 HydrophobicContact CD1-CE3 3.91Å; I1018-W1051 HydrophobicContact CD1-CZ3 4.09Å; I1018-W1051 HydrophobicContact CG1-CE3 4.22Å; I1018-W1051 HydrophobicContact CG1-CZ3 4.03Å; I1018-N1054 HydrophobicContact CD1-CB 3.69Å; I1018-A1055 HydrophobicContact CD1-CB 4.14Å; I1018-A1055 HydrophobicContact CG1-CB 3.83Å |
| 1019 | K | 90.1 | Very high | 91.4 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -52.3 | -31.1 | -179.3 | 64.6 | -176.4 | -179.5 | -179.9 | 0 | 113.1 | P1016 S1017 H1021 V1022 A1055 E1059 | P1016-K1019 WeakPolarHBondContact O-CG 3.49Å; S1017-K1019 PolarHBondContact O-N 3.34Å; K1019-H1021 PolarHBondContact O-N 3.4Å; K1019-V1022 PolarHBondContact O-N 3.27Å; K1019-A1055 HydrophobicContact CB-CB 4.34Å; K1019-E1059 HydrophobicContact CB-CG 3.98Å |
| 1020 | E | 89.7 | Confident | 91.4 | Very high | 127 Ų | 127 | 39.5 Ų | 39.5 | 59% | 0.593 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -59.9 | -24.6 | 176 | -62.7 | -179.6 | 173.7 | 0 | 0 | 113.2 | S979 I1018 | S979-E1020 WeakPolarHBondContact CB-OE2 3.29Å; S979-E1020 PolarHBondContact OG-OE2 2.87Å; I1018-E1020 PolarHBondContact O-N 3.17Å |
| 1021 | H | 92.7 | Very high | 91.3 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -102.5 | -5.2 | -176.1 | -60.4 | -64.1 | 0 | 0 | 0 | 114.5 | S979 L981 P985 I1018 K1019 R1023 I1024 I1025 W1051 | S979-H1021 PolarHBondContact O-NE2 2.96Å; L981-H1021 VanDerWaalsContact CD1-CD2 3.48Å; L981-H1021 WeakPolarHBondContact CD1-CD2 3.23Å; P985-H1021 WeakPolarHBondContact CG-ND1 3.46Å; I1018-H1021 PolarHBondContact O-N 2.71Å; K1019-H1021 PolarHBondContact O-N 3.4Å; H1021-R1023 PolarHBondContact O-N 3.17Å; H1021-I1024 PolarHBondContact O-N 3.34Å; H1021-I1025 HydrophobicContact CB-CD1 4.19Å; H1021-I1025 PolarHBondContact O-N 3.38Å; H1021-W1051 HydrophobicContact CB-CH2 4.16Å; H1021-W1051 HydrophobicContact CB-CZ3 4.25Å |
| 1022 | V | 93.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -55.4 | -39.5 | -178.4 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | K1019 I1024 G1026 S1027 W1051 A1055 E1059 F1060 I1065 | K1019-V1022 PolarHBondContact O-N 3.27Å; V1022-I1024 VanDerWaalsContact C-N 3.32Å; V1022-I1024 PolarHBondContact O-N 2.93Å; V1022-G1026 WeakPolarHBondContact O-CA 3.42Å; V1022-G1026 PolarHBondContact O-N 2.96Å; V1022-S1027 PolarHBondContact O-N 2.92Å; V1022-W1051 HydrophobicContact CG2-CE3 4.04Å; V1022-W1051 HydrophobicContact CG2-CZ3 4.23Å; V1022-A1055 HydrophobicContact CG2-CB 3.67Å; V1022-E1059 HydrophobicContact CB-CB 4.43Å; V1022-E1059 HydrophobicContact CG1-CB 4.23Å; V1022-E1059 HydrophobicContact CG2-CB 4.21Å; V1022-F1060 HydrophobicContact CG1-CD1 3.96Å; V1022-F1060 HydrophobicContact CG1-CD2 3.93Å; V1022-F1060 HydrophobicContact CG1-CE1 3.92Å; V1022-F1060 HydrophobicContact CG1-CE2 3.89Å; V1022-F1060 HydrophobicContact CG1-CG 3.98Å; V1022-F1060 HydrophobicContact CG1-CZ 3.88Å; V1022-F1060 HydrophobicContact CG2-CE2 4.45Å; V1022-I1065 HydrophobicContact CG1-CD1 4.03Å |
| 1023 | R | 91.7 | Very high | 91.4 | Very high | 175 Ų | 175 | 38.3 Ų | 38.3 | 66% | 0.66 | 21% | 0.205 | S | C | * | . | I | π-helix | trans | -60.3 | -37.4 | 178.8 | -174.2 | 178.6 | 178.1 | -166.6 | 1.5 | 113.6 | H1021 S1027 | H1021-R1023 PolarHBondContact O-N 3.17Å; R1023-S1027 WeakPolarHBondContact O-CB 3.49Å |
| 1024 | I | 93 | Very high | 91.5 | Very high | 65 Ų | 65 | 39 Ų | 39 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -89.4 | -54 | -176.9 | -64.2 | 177.1 | 0 | 0 | 0 | 110.2 | P985 K989 H1021 V1022 A1028 | P985-I1024 HydrophobicContact CB-CG2 4.13Å; P985-I1024 WeakPolarHBondContact O-CG2 3.48Å; K989-I1024 HydrophobicContact CB-CG2 4.12Å; K989-I1024 HydrophobicContact CD-CG2 3.96Å; H1021-I1024 PolarHBondContact O-N 3.34Å; V1022-I1024 VanDerWaalsContact C-N 3.32Å; V1022-I1024 PolarHBondContact O-N 2.93Å; I1024-A1028 PolarHBondContact O-N 3.17Å |
| 1025 | I | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -80.4 | -46.4 | -172.7 | -65.2 | 175.2 | 0 | 0 | 0 | 111 | P985 L988 C1007 I1010 H1021 S1027 A1028 I1029 W1051 | P985-I1025 HydrophobicContact CB-CD1 4.05Å; P985-I1025 HydrophobicContact CB-CG1 4.18Å; P985-I1025 HydrophobicContact CG-CD1 4.47Å; L988-I1025 HydrophobicContact CD1-CD1 4.49Å; C1007-I1025 HydrophobicContact CB-CG2 4.03Å; I1010-I1025 HydrophobicContact CD1-CD1 4.45Å; H1021-I1025 HydrophobicContact CB-CD1 4.19Å; H1021-I1025 PolarHBondContact O-N 3.38Å; I1025-S1027 VanDerWaalsContact C-N 3.32Å; I1025-S1027 PolarHBondContact O-N 3.43Å; I1025-A1028 WeakPolarHBondContact O-CB 3.48Å; I1025-A1028 PolarHBondContact O-N 2.8Å; I1025-I1029 HydrophobicContact CG2-CD1 3.62Å; I1025-I1029 HydrophobicContact CG2-CG1 4.18Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.32Å; I1025-I1029 PolarHBondContact O-N 3.33Å; I1025-W1051 HydrophobicContact CB-CH2 3.87Å; I1025-W1051 HydrophobicContact CB-CZ2 4.03Å; I1025-W1051 HydrophobicContact CB-CZ3 4.39Å; I1025-W1051 HydrophobicContact CD1-CH2 3.72Å; I1025-W1051 HydrophobicContact CD1-CZ2 3.97Å; I1025-W1051 HydrophobicContact CG1-CH2 4.36Å; I1025-W1051 HydrophobicContact CG2-CH2 3.83Å; I1025-W1051 HydrophobicContact CG2-CZ2 3.44Å; I1025-W1051 VanDerWaalsContact CG2-CZ2 3.44Å |
| 1026 | G | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -58.9 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1022 A1028 I1029 L1030 | V1022-G1026 WeakPolarHBondContact O-CA 3.42Å; V1022-G1026 PolarHBondContact O-N 2.96Å; G1026-A1028 VanDerWaalsContact C-N 3.33Å; G1026-A1028 PolarHBondContact O-N 3.23Å; G1026-I1029 PolarHBondContact O-N 3.32Å; G1026-L1030 WeakPolarHBondContact O-CG 3.1Å; G1026-L1030 PolarHBondContact O-N 3.49Å |
| 1027 | S | 92.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 171 | 166.8 | 0 | 0 | 0 | 0 | 112.8 | V1022 R1023 I1025 G1031 | V1022-S1027 PolarHBondContact O-N 2.92Å; R1023-S1027 WeakPolarHBondContact O-CB 3.49Å; I1025-S1027 VanDerWaalsContact C-N 3.32Å; I1025-S1027 PolarHBondContact O-N 3.43Å; S1027-G1031 PolarHBondContact O-N 3.26Å |
| 1028 | A | 93.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.9 | -40.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K989 L992 I1024 I1025 G1026 G1031 I1032 | K989-A1028 HydrophobicContact CB-CB 4.18Å; K989-A1028 HydrophobicContact CG-CB 3.94Å; L992-A1028 HydrophobicContact CB-CB 4.44Å; L992-A1028 HydrophobicContact CD1-CB 3.56Å; I1024-A1028 PolarHBondContact O-N 3.17Å; I1025-A1028 WeakPolarHBondContact O-CB 3.48Å; I1025-A1028 PolarHBondContact O-N 2.8Å; G1026-A1028 VanDerWaalsContact C-N 3.33Å; G1026-A1028 PolarHBondContact O-N 3.23Å; A1028-G1031 PolarHBondContact O-N 3.06Å; A1028-I1032 PolarHBondContact O-N 3.36Å |
| 1029 | I | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.5 | -64.3 | 164.5 | 0 | 0 | 0 | 110.6 | L992 L1004 C1007 I1025 G1026 G1031 I1032 A1044 V1047 L1048 W1051 | L992-I1029 HydrophobicContact CD1-CG1 4.15Å; L1004-I1029 HydrophobicContact CD2-CG1 4.16Å; L1004-I1029 HydrophobicContact CD2-CG2 4.16Å; C1007-I1029 HydrophobicContact CB-CD1 4.18Å; I1025-I1029 HydrophobicContact CG2-CD1 3.62Å; I1025-I1029 HydrophobicContact CG2-CG1 4.18Å; I1025-I1029 WeakPolarHBondContact O-CG1 3.32Å; I1025-I1029 PolarHBondContact O-N 3.33Å; G1026-I1029 PolarHBondContact O-N 3.32Å; I1029-G1031 PolarHBondContact O-N 2.96Å; I1029-I1032 WeakPolarHBondContact O-CB 3.5Å; I1029-I1032 PolarHBondContact O-N 3.21Å; I1029-A1044 HydrophobicContact CG2-CB 4.37Å; I1029-A1044 WeakPolarHBondContact CG2-O 3.28Å; I1029-V1047 HydrophobicContact CD1-CG1 3.96Å; I1029-L1048 HydrophobicContact CB-CD1 4.47Å; I1029-L1048 HydrophobicContact CG2-CB 3.92Å; I1029-L1048 HydrophobicContact CG2-CD1 4.18Å; I1029-W1051 HydrophobicContact CD1-CG 4.41Å |
| 1030 | L | 94.2 | Very high | 91 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.9 | -38.3 | 174.5 | -81.7 | 163 | 0 | 0 | 0 | 111.9 | G1026 I1032 L1033 L1048 F1060 I1065 I1066 L1077 V1081 | G1026-L1030 WeakPolarHBondContact O-CG 3.1Å; G1026-L1030 PolarHBondContact O-N 3.49Å; L1030-I1032 VanDerWaalsContact C-N 3.25Å; L1030-I1032 PolarHBondContact O-N 3.19Å; L1030-L1033 HydrophobicContact CD2-CD1 4.05Å; L1030-L1033 WeakPolarHBondContact O-CB 3.44Å; L1030-L1033 PolarHBondContact O-N 3.29Å; L1030-L1033 VanDerWaalsContact O-N 3.14Å; L1030-L1048 HydrophobicContact CD2-CD2 3.56Å; L1030-L1048 HydrophobicContact CG-CD1 4.14Å; L1030-L1048 HydrophobicContact CG-CD2 4.02Å; L1030-F1060 HydrophobicContact CD1-CD1 4.47Å; L1030-I1065 HydrophobicContact CD1-CG2 3.43Å; L1030-I1065 VanDerWaalsContact CD1-CG2 3.43Å; L1030-I1066 HydrophobicContact CD1-CD1 3.62Å; L1030-I1066 HydrophobicContact CD2-CD1 4.34Å; L1030-L1077 WeakPolarHBondContact O-CD1 3.32Å; L1030-V1081 HydrophobicContact CD2-CG2 4.04Å |
| 1031 | G | 91.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.7 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1027 A1028 I1029 L1033 S1034 | S1027-G1031 PolarHBondContact O-N 3.26Å; A1028-G1031 PolarHBondContact O-N 3.06Å; I1029-G1031 PolarHBondContact O-N 2.96Å; G1031-L1033 PolarHBondContact O-N 3.16Å; G1031-S1034 WeakPolarHBondContact O-CB 3.42Å; G1031-S1034 PolarHBondContact O-N 3.26Å; G1031-S1034 PolarHBondContact O-OG 3.31Å |
| 1032 | I | 94 | Very high | 91.1 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.8 | -21.8 | 179.4 | -64 | 178.2 | 0 | 0 | 0 | 112.1 | L992 L1004 A1028 I1029 L1030 S1034 D1035 T1040 A1044 | L992-I1032 HydrophobicContact CB-CD1 3.93Å; L992-I1032 HydrophobicContact CD2-CD1 3.52Å; L992-I1032 HydrophobicContact CG-CD1 4.26Å; L1004-I1032 HydrophobicContact CD1-CD1 3.97Å; L1004-I1032 HydrophobicContact CD1-CG2 4.39Å; L1004-I1032 HydrophobicContact CD2-CD1 3.9Å; L1004-I1032 HydrophobicContact CG-CD1 3.83Å; A1028-I1032 PolarHBondContact O-N 3.36Å; I1029-I1032 WeakPolarHBondContact O-CB 3.5Å; I1029-I1032 PolarHBondContact O-N 3.21Å; L1030-I1032 VanDerWaalsContact C-N 3.25Å; L1030-I1032 PolarHBondContact O-N 3.19Å; I1032-S1034 PolarHBondContact O-N 3.07Å; I1032-D1035 VanDerWaalsContact O-CB 3.24Å; I1032-D1035 WeakPolarHBondContact O-CB 3.49Å; I1032-D1035 PolarHBondContact O-N 3.29Å; I1032-T1040 HydrophobicContact CG2-CG2 3.72Å; I1032-A1044 HydrophobicContact CB-CB 4.03Å; I1032-A1044 HydrophobicContact CG2-CB 3.75Å |
| 1033 | L | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -9.7 | 174.4 | -57.2 | -179.6 | 0 | 0 | 0 | 113.1 | L1030 G1031 D1035 R1041 A1044 L1045 L1048 L1077 E1080 V1081 | L1030-L1033 HydrophobicContact CD2-CD1 4.05Å; L1030-L1033 WeakPolarHBondContact O-CB 3.44Å; L1030-L1033 PolarHBondContact O-N 3.29Å; L1030-L1033 VanDerWaalsContact O-N 3.14Å; G1031-L1033 PolarHBondContact O-N 3.16Å; L1033-D1035 VanDerWaalsContact C-N 3.27Å; L1033-R1041 HydrophobicContact CD2-CB 4.35Å; L1033-R1041 WeakPolarHBondContact CD2-O 3.33Å; L1033-R1041 WeakPolarHBondContact O-CD 3.34Å; L1033-A1044 HydrophobicContact CD2-CB 3.9Å; L1033-L1045 HydrophobicContact CD1-CD2 3.88Å; L1033-L1045 HydrophobicContact CD2-CD2 3.83Å; L1033-L1045 HydrophobicContact CD2-CG 3.6Å; L1033-L1048 HydrophobicContact CD1-CD2 4.42Å; L1033-L1077 HydrophobicContact CB-CD1 3.59Å; L1033-E1080 HydrophobicContact CB-CB 4.27Å; L1033-E1080 HydrophobicContact CD1-CB 4.32Å; L1033-V1081 HydrophobicContact CD1-CG2 4.11Å |
| 1034 | S | 91.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.2 | 168.9 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | G1031 I1032 | G1031-S1034 WeakPolarHBondContact O-CB 3.42Å; G1031-S1034 PolarHBondContact O-N 3.26Å; G1031-S1034 PolarHBondContact O-OG 3.31Å; I1032-S1034 PolarHBondContact O-N 3.07Å |
| 1035 | D | 91.8 | Very high | 91.3 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | trans | -66.1 | 137.2 | -175.1 | -164 | -73.6 | 0 | 0 | 0 | 112.4 | K997 I1032 L1033 K1037 T1040 R1041 | K997-D1035 VanDerWaalsContact CE-OD2 3.27Å; K997-D1035 WeakPolarHBondContact CE-OD2 3.25Å; K997-D1035 IonicContact NZ-OD2 3.7Å; K997-D1035 PolarHBondContact NZ-OD2 3.03Å; I1032-D1035 VanDerWaalsContact O-CB 3.24Å; I1032-D1035 WeakPolarHBondContact O-CB 3.49Å; I1032-D1035 PolarHBondContact O-N 3.29Å; L1033-D1035 VanDerWaalsContact C-N 3.27Å; D1035-K1037 PolarHBondContact O-N 2.91Å; D1035-K1037 WeakPolarHBondContact OD1-CB 3.4Å; D1035-K1037 PolarHBondContact OD1-N 3.45Å; D1035-T1040 HydrophobicContact CB-CG2 4.02Å; D1035-R1041 HydrophobicContact CB-CG 4.4Å; D1035-R1041 VanDerWaalsContact O-CD 3.26Å; D1035-R1041 WeakPolarHBondContact O-CD 3.43Å; D1035-R1041 WeakPolarHBondContact O-CG 3.1Å; D1035-R1041 PolarHBondContact O-NH1 3.34Å | ||
| 1036 | S | 84.5 | Confident | 91.3 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -59.1 | -27.1 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | P1038 R1041 | S1036-P1038 WeakPolarHBondContact O-CD 3.35Å; S1036-R1041 PolarHBondContact O-NH1 3.22Å |
| 1037 | K | 83.9 | Confident | 91.5 | Very high | 118 Ų | 118 | 43.8 Ų | 43.8 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | trans | -90.2 | 119 | -175 | -65.4 | -179.2 | -177.5 | 176.6 | 0 | 111.4 | D1035 A1039 T1040 R1041 | D1035-K1037 PolarHBondContact O-N 2.91Å; D1035-K1037 WeakPolarHBondContact OD1-CB 3.4Å; D1035-K1037 PolarHBondContact OD1-N 3.45Å; K1037-A1039 VanDerWaalsContact C-N 3.31Å; K1037-A1039 PolarHBondContact O-N 3.15Å; K1037-T1040 WeakPolarHBondContact O-CB 3.45Å; K1037-T1040 PolarHBondContact O-N 2.7Å; K1037-T1040 VanDerWaalsContact O-N 3.15Å; K1037-R1041 PolarHBondContact O-N 2.95Å | ||
| 1038 | P | 84.2 | Confident | 91.6 | Very high | 73 Ų | 73 | 41.5 Ų | 41.5 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.1 | -37.8 | -179.3 | -26.2 | 34.5 | 0 | 0 | 0 | 114.6 | S1036 T1040 R1041 Q1042 | S1036-P1038 WeakPolarHBondContact O-CD 3.35Å; P1038-T1040 PolarHBondContact O-N 2.91Å; P1038-R1041 PolarHBondContact O-N 3.36Å; P1038-Q1042 WeakPolarHBondContact O-CG 3.47Å; P1038-Q1042 PolarHBondContact O-N 2.88Å |
| 1039 | A | 82.7 | Confident | 91.7 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.7 | -38.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1037 R1041 Q1042 N1043 | K1037-A1039 VanDerWaalsContact C-N 3.31Å; K1037-A1039 PolarHBondContact O-N 3.15Å; A1039-R1041 VanDerWaalsContact C-N 3.34Å; A1039-Q1042 PolarHBondContact O-N 3.31Å; A1039-N1043 PolarHBondContact O-N 2.92Å |
| 1040 | T | 86.8 | Confident | 91.7 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.4 | -51.5 | 0 | 0 | 0 | 0 | 110.2 | I1032 D1035 K1037 P1038 N1043 A1044 | I1032-T1040 HydrophobicContact CG2-CG2 3.72Å; D1035-T1040 HydrophobicContact CB-CG2 4.02Å; K1037-T1040 WeakPolarHBondContact O-CB 3.45Å; K1037-T1040 PolarHBondContact O-N 2.7Å; K1037-T1040 VanDerWaalsContact O-N 3.15Å; P1038-T1040 PolarHBondContact O-N 2.91Å; T1040-N1043 PolarHBondContact O-N 3.14Å; T1040-A1044 WeakPolarHBondContact O-CB 3.4Å; T1040-A1044 PolarHBondContact O-N 3.33Å |
| 1041 | R | 93.5 | Very high | 91.8 | Very high | 33 Ų | 33 | 44 Ų | 44 | 13% | 0.125 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.3 | -60.3 | -161.9 | -57.3 | -82.5 | 2.5 | 112.3 | L1033 D1035 S1036 K1037 P1038 A1039 N1043 A1044 L1045 E1080 | L1033-R1041 HydrophobicContact CD2-CB 4.35Å; L1033-R1041 WeakPolarHBondContact CD2-O 3.33Å; L1033-R1041 WeakPolarHBondContact O-CD 3.34Å; D1035-R1041 HydrophobicContact CB-CG 4.4Å; D1035-R1041 VanDerWaalsContact O-CD 3.26Å; D1035-R1041 WeakPolarHBondContact O-CD 3.43Å; D1035-R1041 WeakPolarHBondContact O-CG 3.1Å; D1035-R1041 PolarHBondContact O-NH1 3.34Å; S1036-R1041 PolarHBondContact O-NH1 3.22Å; K1037-R1041 PolarHBondContact O-N 2.95Å; P1038-R1041 PolarHBondContact O-N 3.36Å; A1039-R1041 VanDerWaalsContact C-N 3.34Å; R1041-N1043 VanDerWaalsContact C-N 3.35Å; R1041-N1043 PolarHBondContact O-N 2.89Å; R1041-A1044 PolarHBondContact O-N 2.89Å; R1041-L1045 WeakPolarHBondContact O-CG 3.08Å; R1041-L1045 PolarHBondContact O-N 3.16Å; R1041-E1080 IonicContact CZ-OE1 2.61Å; R1041-E1080 IonicContact NE-OE1 3.9Å; R1041-E1080 PolarHBondContact NE-OE1 3.48Å; R1041-E1080 IonicContact NH2-OE1 2.58Å; R1041-E1080 PolarHBondContact NH2-OE1 3.01Å |
| 1042 | Q | 91.3 | Very high | 91.9 | Very high | 136 Ų | 136 | 43.1 Ų | 43.1 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.5 | -40.7 | 175.6 | -75.9 | -179.8 | -22.7 | 0 | 0 | 112 | P1038 A1039 L1045 R1046 | P1038-Q1042 WeakPolarHBondContact O-CG 3.47Å; P1038-Q1042 PolarHBondContact O-N 2.88Å; A1039-Q1042 PolarHBondContact O-N 3.31Å; Q1042-L1045 PolarHBondContact O-N 3.13Å; Q1042-R1046 WeakPolarHBondContact O-CB 3.35Å; Q1042-R1046 PolarHBondContact O-N 3.24Å |
| 1043 | N | 91.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 49.4 Ų | 49.4 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 173.4 | -168.5 | 20.6 | 0 | 0 | 0 | 111 | Q1001 A1039 T1040 R1041 L1045 R1046 V1047 | Q1001-N1043 PolarHBondContact OE1-ND2 2.98Å; A1039-N1043 PolarHBondContact O-N 2.92Å; T1040-N1043 PolarHBondContact O-N 3.14Å; R1041-N1043 VanDerWaalsContact C-N 3.35Å; R1041-N1043 PolarHBondContact O-N 2.89Å; N1043-L1045 PolarHBondContact O-N 3.19Å; N1043-R1046 PolarHBondContact O-N 2.94Å; N1043-R1046 PolarHBondContact OD1-NH2 2.89Å; N1043-V1047 WeakPolarHBondContact O-CG2 3.44Å; N1043-V1047 PolarHBondContact O-N 3.36Å |
| 1044 | A | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1004 I1029 I1032 L1033 T1040 R1041 V1047 L1048 | L1004-A1044 HydrophobicContact CD1-CB 4.18Å; L1004-A1044 HydrophobicContact CD2-CB 4.29Å; I1029-A1044 HydrophobicContact CG2-CB 4.37Å; I1029-A1044 WeakPolarHBondContact CG2-O 3.28Å; I1032-A1044 HydrophobicContact CB-CB 4.03Å; I1032-A1044 HydrophobicContact CG2-CB 3.75Å; L1033-A1044 HydrophobicContact CD2-CB 3.9Å; T1040-A1044 WeakPolarHBondContact O-CB 3.4Å; T1040-A1044 PolarHBondContact O-N 3.33Å; R1041-A1044 PolarHBondContact O-N 2.89Å; A1044-V1047 PolarHBondContact O-N 3.08Å; A1044-L1048 VanDerWaalsContact O-CB 3.26Å; A1044-L1048 WeakPolarHBondContact O-CB 3.4Å; A1044-L1048 PolarHBondContact O-N 3.42Å |
| 1045 | L | 95.6 | Very high | 91.7 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174 | -79.3 | 172.7 | 0 | 0 | 0 | 111.9 | L1033 R1041 Q1042 N1043 L1048 N1049 W1084 | L1033-L1045 HydrophobicContact CD1-CD2 3.88Å; L1033-L1045 HydrophobicContact CD2-CD2 3.83Å; L1033-L1045 HydrophobicContact CD2-CG 3.6Å; R1041-L1045 WeakPolarHBondContact O-CG 3.08Å; R1041-L1045 PolarHBondContact O-N 3.16Å; Q1042-L1045 PolarHBondContact O-N 3.13Å; N1043-L1045 PolarHBondContact O-N 3.19Å; L1045-L1048 PolarHBondContact O-N 3.4Å; L1045-N1049 PolarHBondContact O-N 2.69Å; L1045-W1084 HydrophobicContact CD2-CB 4.15Å; L1045-W1084 HydrophobicContact CD2-CG 4.2Å |
| 1046 | R | 94.9 | Very high | 91.5 | Very high | 138 Ų | 138 | 49.7 Ų | 49.7 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 176.9 | -179.9 | 179.6 | 58.1 | 171.4 | 0.2 | 111.4 | Q1042 N1043 L1048 N1049 T1050 | Q1042-R1046 WeakPolarHBondContact O-CB 3.35Å; Q1042-R1046 PolarHBondContact O-N 3.24Å; N1043-R1046 PolarHBondContact O-N 2.94Å; N1043-R1046 PolarHBondContact OD1-NH2 2.89Å; R1046-L1048 VanDerWaalsContact C-N 3.34Å; R1046-L1048 PolarHBondContact O-N 3.47Å; R1046-N1049 PolarHBondContact O-N 3.12Å; R1046-T1050 PolarHBondContact O-N 2.84Å; R1046-T1050 PolarHBondContact O-OG1 3.41Å |
| 1047 | V | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L1004 C1007 Q1008 I1029 N1043 A1044 N1049 T1050 W1051 | L1004-V1047 HydrophobicContact CB-CG2 4.38Å; L1004-V1047 HydrophobicContact CD2-CB 4.23Å; L1004-V1047 HydrophobicContact CD2-CG1 4.31Å; L1004-V1047 HydrophobicContact CD2-CG2 4.31Å; C1007-V1047 HydrophobicContact CB-CG1 4.31Å; Q1008-V1047 HydrophobicContact CB-CG1 3.98Å; Q1008-V1047 HydrophobicContact CB-CG2 3.96Å; Q1008-V1047 HydrophobicContact CG-CG2 4.29Å; I1029-V1047 HydrophobicContact CD1-CG1 3.96Å; N1043-V1047 WeakPolarHBondContact O-CG2 3.44Å; N1043-V1047 PolarHBondContact O-N 3.36Å; A1044-V1047 PolarHBondContact O-N 3.08Å; V1047-N1049 VanDerWaalsContact C-N 3.32Å; V1047-N1049 PolarHBondContact O-N 2.83Å; V1047-T1050 WeakPolarHBondContact O-CB 3.19Å; V1047-T1050 PolarHBondContact O-N 3.33Å; V1047-W1051 VanDerWaalsContact O-CD1 3.24Å; V1047-W1051 PolarHBondContact O-N 3.11Å |
| 1048 | L | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 176.9 | -172.2 | 65.3 | 0 | 0 | 0 | 112.2 | I1029 L1030 L1033 A1044 L1045 R1046 W1051 V1052 F1060 W1084 | I1029-L1048 HydrophobicContact CB-CD1 4.47Å; I1029-L1048 HydrophobicContact CG2-CB 3.92Å; I1029-L1048 HydrophobicContact CG2-CD1 4.18Å; L1030-L1048 HydrophobicContact CD2-CD2 3.56Å; L1030-L1048 HydrophobicContact CG-CD1 4.14Å; L1030-L1048 HydrophobicContact CG-CD2 4.02Å; L1033-L1048 HydrophobicContact CD1-CD2 4.42Å; A1044-L1048 VanDerWaalsContact O-CB 3.26Å; A1044-L1048 WeakPolarHBondContact O-CB 3.4Å; A1044-L1048 PolarHBondContact O-N 3.42Å; L1045-L1048 PolarHBondContact O-N 3.4Å; R1046-L1048 VanDerWaalsContact C-N 3.34Å; R1046-L1048 PolarHBondContact O-N 3.47Å; L1048-W1051 WeakPolarHBondContact O-CB 3.27Å; L1048-W1051 PolarHBondContact O-N 3.23Å; L1048-V1052 PolarHBondContact O-N 3.24Å; L1048-F1060 HydrophobicContact CD1-CD1 4.39Å; L1048-F1060 HydrophobicContact CD1-CE1 3.48Å; L1048-F1060 VanDerWaalsContact CD1-CE1 3.48Å; L1048-F1060 HydrophobicContact CD1-CZ 3.86Å; L1048-W1084 HydrophobicContact CD1-CZ2 4.21Å; L1048-W1084 HydrophobicContact CD2-CD2 3.81Å; L1048-W1084 VanDerWaalsContact CD2-CE2 3.4Å; L1048-W1084 HydrophobicContact CD2-CE3 4.34Å; L1048-W1084 HydrophobicContact CD2-CG 4.27Å; L1048-W1084 HydrophobicContact CD2-CH2 4.13Å; L1048-W1084 HydrophobicContact CD2-CZ2 3.56Å; L1048-W1084 HydrophobicContact CD2-CZ3 4.5Å; L1048-W1084 HydrophobicContact CG-CH2 4.31Å; L1048-W1084 HydrophobicContact CG-CZ2 3.55Å |
| 1049 | N | 95.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 42.4 Ų | 42.4 | 31% | 0.305 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 175 | -72.9 | -14.3 | 0 | 0 | 0 | 112.2 | L1045 R1046 V1047 W1051 V1052 E1053 W1084 | L1045-N1049 PolarHBondContact O-N 2.69Å; R1046-N1049 PolarHBondContact O-N 3.12Å; V1047-N1049 VanDerWaalsContact C-N 3.32Å; V1047-N1049 PolarHBondContact O-N 2.83Å; N1049-W1051 PolarHBondContact O-N 2.86Å; N1049-V1052 WeakPolarHBondContact O-CA 3.43Å; N1049-V1052 WeakPolarHBondContact O-CB 3.3Å; N1049-V1052 PolarHBondContact O-N 2.61Å; N1049-E1053 WeakPolarHBondContact O-CG 3.12Å; N1049-E1053 PolarHBondContact O-N 2.61Å; N1049-W1084 PolarHBondContact OD1-NE1 3.49Å |
| 1050 | T | 95.4 | Very high | 93 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -35.8 | 172.5 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | Q1008 A1011 V1012 R1046 V1047 N1054 | Q1008-T1050 HydrophobicContact CG-CG2 4.14Å; A1011-T1050 HydrophobicContact CB-CG2 4.17Å; V1012-T1050 HydrophobicContact CG2-CG2 3.67Å; R1046-T1050 PolarHBondContact O-N 2.84Å; R1046-T1050 PolarHBondContact O-OG1 3.41Å; V1047-T1050 WeakPolarHBondContact O-CB 3.19Å; V1047-T1050 PolarHBondContact O-N 3.33Å; T1050-N1054 PolarHBondContact O-N 3.46Å; T1050-N1054 PolarHBondContact O-ND2 2.96Å |
| 1051 | W | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 172.8 | -83 | 70.4 | 0 | 0 | 0 | 112.6 | C1007 I1010 A1011 I1018 H1021 V1022 I1025 I1029 V1047 L1048 N1049 N1054 A1055 F1060 | C1007-W1051 PolarHBondContact O-NE1 3.44Å; I1010-W1051 HydrophobicContact CB-CZ2 4.34Å; I1010-W1051 HydrophobicContact CG2-CH2 4.1Å; I1010-W1051 HydrophobicContact CG2-CZ2 4.03Å; A1011-W1051 HydrophobicContact CB-CD2 4.06Å; A1011-W1051 HydrophobicContact CB-CG 3.94Å; A1011-W1051 HydrophobicContact CB-CZ2 4.44Å; I1018-W1051 HydrophobicContact CB-CH2 4.35Å; I1018-W1051 HydrophobicContact CB-CZ3 4.08Å; I1018-W1051 HydrophobicContact CD1-CD2 4.28Å; I1018-W1051 HydrophobicContact CD1-CE3 3.91Å; I1018-W1051 HydrophobicContact CD1-CZ3 4.09Å; I1018-W1051 HydrophobicContact CG1-CE3 4.22Å; I1018-W1051 HydrophobicContact CG1-CZ3 4.03Å; H1021-W1051 HydrophobicContact CB-CH2 4.16Å; H1021-W1051 HydrophobicContact CB-CZ3 4.25Å; V1022-W1051 HydrophobicContact CG2-CE3 4.04Å; V1022-W1051 HydrophobicContact CG2-CZ3 4.23Å; I1025-W1051 HydrophobicContact CB-CH2 3.87Å; I1025-W1051 HydrophobicContact CB-CZ2 4.03Å; I1025-W1051 HydrophobicContact CB-CZ3 4.39Å; I1025-W1051 HydrophobicContact CD1-CH2 3.72Å; I1025-W1051 HydrophobicContact CD1-CZ2 3.97Å; I1025-W1051 HydrophobicContact CG1-CH2 4.36Å; I1025-W1051 HydrophobicContact CG2-CH2 3.83Å; I1025-W1051 HydrophobicContact CG2-CZ2 3.44Å; I1025-W1051 VanDerWaalsContact CG2-CZ2 3.44Å; I1029-W1051 HydrophobicContact CD1-CG 4.41Å; V1047-W1051 VanDerWaalsContact O-CD1 3.24Å; V1047-W1051 PolarHBondContact O-N 3.11Å; L1048-W1051 WeakPolarHBondContact O-CB 3.27Å; L1048-W1051 PolarHBondContact O-N 3.23Å; N1049-W1051 PolarHBondContact O-N 2.86Å; W1051-N1054 PolarHBondContact O-N 3.01Å; W1051-A1055 WeakPolarHBondContact O-CB 2.92Å; W1051-A1055 PolarHBondContact O-N 3.13Å; W1051-F1060 HydrophobicContact CB-CE2 4.4Å; W1051-F1060 HydrophobicContact CB-CZ 3.96Å |
| 1052 | V | 93.8 | Very high | 92.5 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | L1048 N1049 N1054 G1056 F1057 F1060 W1084 | L1048-V1052 PolarHBondContact O-N 3.24Å; N1049-V1052 WeakPolarHBondContact O-CA 3.43Å; N1049-V1052 WeakPolarHBondContact O-CB 3.3Å; N1049-V1052 PolarHBondContact O-N 2.61Å; V1052-N1054 VanDerWaalsContact C-N 3.31Å; V1052-N1054 PolarHBondContact O-N 3.2Å; V1052-G1056 CarbonylContact O-C 3.56Å; V1052-G1056 WeakPolarHBondContact O-CA 3.49Å; V1052-G1056 PolarHBondContact O-N 3.46Å; V1052-F1057 HydrophobicContact CG1-CB 3.76Å; V1052-F1057 HydrophobicContact CG1-CD2 4.32Å; V1052-F1057 HydrophobicContact CG1-CG 4.46Å; V1052-F1057 HydrophobicContact CG2-CD2 4.17Å; V1052-F1060 HydrophobicContact CG2-CD2 4.03Å; V1052-F1060 HydrophobicContact CG2-CE2 3.78Å; V1052-F1060 HydrophobicContact CG2-CZ 4.41Å; V1052-W1084 HydrophobicContact CG2-CH2 4.15Å; V1052-W1084 HydrophobicContact CG2-CZ2 3.49Å; V1052-W1084 VanDerWaalsContact CG2-CZ2 3.49Å |
| 1053 | E | 91.9 | Very high | 92 | Very high | 147 Ų | 147 | 36.3 Ų | 36.3 | 69% | 0.687 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -60.5 | -38.6 | 178.2 | -72.2 | 163.8 | -170.9 | 0 | 0 | 112.1 | N1049 | N1049-E1053 WeakPolarHBondContact O-CG 3.12Å; N1049-E1053 PolarHBondContact O-N 2.61Å |
| 1054 | N | 92.7 | Very high | 91.9 | Very high | 42 Ų | 42 | 39.7 Ų | 39.7 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -93 | -40.4 | -175.6 | -72.6 | -82.7 | 0 | 0 | 0 | 113.9 | A1011 P1016 I1018 T1050 W1051 V1052 | A1011-N1054 WeakPolarHBondContact O-CB 3.13Å; A1011-N1054 VanDerWaalsContact O-CG 3.27Å; A1011-N1054 PolarHBondContact O-OD1 3.16Å; P1016-N1054 VanDerWaalsContact CA-O 3.31Å; P1016-N1054 WeakPolarHBondContact CA-O 3.47Å; I1018-N1054 HydrophobicContact CD1-CB 3.69Å; T1050-N1054 PolarHBondContact O-N 3.46Å; T1050-N1054 PolarHBondContact O-ND2 2.96Å; W1051-N1054 PolarHBondContact O-N 3.01Å; V1052-N1054 VanDerWaalsContact C-N 3.31Å; V1052-N1054 PolarHBondContact O-N 3.2Å |
| 1055 | A | 91.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -91 | -22.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1018 K1019 V1022 W1051 E1059 | I1018-A1055 HydrophobicContact CD1-CB 4.14Å; I1018-A1055 HydrophobicContact CG1-CB 3.83Å; K1019-A1055 HydrophobicContact CB-CB 4.34Å; V1022-A1055 HydrophobicContact CG2-CB 3.67Å; W1051-A1055 WeakPolarHBondContact O-CB 2.92Å; W1051-A1055 PolarHBondContact O-N 3.13Å; A1055-E1059 VanDerWaalsContact O-CG 3.32Å; A1055-E1059 WeakPolarHBondContact O-CG 3.35Å |
| 1056 | G | 89.4 | Confident | 91.5 | Very high | 25 Ų | 25 | 38.7 Ų | 38.7 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | trans | 89.2 | 138.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1052 K1058 E1059 | V1052-G1056 CarbonylContact O-C 3.56Å; V1052-G1056 WeakPolarHBondContact O-CA 3.49Å; V1052-G1056 PolarHBondContact O-N 3.46Å; G1056-K1058 VanDerWaalsContact C-N 3.27Å; G1056-K1058 PolarHBondContact O-N 3.18Å; G1056-E1059 PolarHBondContact O-N 3.48Å | ||
| 1057 | F | 91.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -60.2 | -33.9 | -177.5 | -177.7 | -124.1 | 0 | 0 | 0 | 113.5 | V1052 E1059 F1060 L1061 W1084 L1085 N1088 I1089 T1092 L1096 | V1052-F1057 HydrophobicContact CG1-CB 3.76Å; V1052-F1057 HydrophobicContact CG1-CD2 4.32Å; V1052-F1057 HydrophobicContact CG1-CG 4.46Å; V1052-F1057 HydrophobicContact CG2-CD2 4.17Å; F1057-E1059 PolarHBondContact O-N 3.33Å; F1057-E1059 VanDerWaalsContact O-N 3.15Å; F1057-F1060 WeakPolarHBondContact O-CB 2.77Å; F1057-F1060 PolarHBondContact O-N 3.42Å; F1057-F1060 VanDerWaalsContact O-N 3.07Å; F1057-L1061 HydrophobicContact CD1-CD1 4.35Å; F1057-L1061 HydrophobicContact CE1-CD1 3.91Å; F1057-L1061 HydrophobicContact CZ-CD1 4.33Å; F1057-W1084 HydrophobicContact CD2-CH2 4.18Å; F1057-W1084 AromaticContact CE2-CH2 3.78Å; F1057-W1084 HydrophobicContact CE2-CH2 3.78Å; F1057-W1084 HydrophobicContact CE2-CZ2 4.39Å; F1057-W1084 AromaticContact CE2-CZ3 3.91Å; F1057-W1084 HydrophobicContact CE2-CZ3 3.91Å; F1057-L1085 HydrophobicContact CZ-CD1 3.95Å; F1057-N1088 HydrophobicContact CD1-CB 4.2Å; F1057-N1088 HydrophobicContact CD2-CB 3.62Å; F1057-N1088 HydrophobicContact CE1-CB 3.95Å; F1057-N1088 HydrophobicContact CE2-CB 3.33Å; F1057-N1088 HydrophobicContact CG-CB 4.06Å; F1057-N1088 HydrophobicContact CZ-CB 3.52Å; F1057-I1089 HydrophobicContact CE1-CG1 3.9Å; F1057-I1089 HydrophobicContact CZ-CG1 4.14Å; F1057-T1092 HydrophobicContact CD1-CG2 4.46Å; F1057-T1092 WeakPolarHBondContact CD1-OG1 3.24Å; F1057-L1096 HydrophobicContact CD1-CD1 4.32Å; F1057-L1096 HydrophobicContact CD1-CD2 3.78Å; F1057-L1096 HydrophobicContact CE1-CD1 3.98Å; F1057-L1096 HydrophobicContact CE1-CD2 4.21Å |
| 1058 | K | 89.4 | Confident | 91 | Very high | 90 Ų | 90 | 35.9 Ų | 35.9 | 39% | 0.391 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -55.6 | -32.1 | 179.7 | 68.3 | -171.9 | 176.4 | -163.2 | 0 | 113.5 | G1056 F1060 L1061 P1097 | G1056-K1058 VanDerWaalsContact C-N 3.27Å; G1056-K1058 PolarHBondContact O-N 3.18Å; K1058-F1060 PolarHBondContact O-N 3.16Å; K1058-L1061 PolarHBondContact O-N 3.11Å; K1058-P1097 HydrophobicContact CB-CG 4.42Å |
| 1059 | E | 91.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 36.7 Ų | 36.7 | 21% | 0.206 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -69.5 | -20 | -177.5 | -57.4 | -58.5 | 153 | 0 | 0 | 112.4 | K1019 V1022 A1055 G1056 F1057 L1061 T1062 | K1019-E1059 HydrophobicContact CB-CG 3.98Å; V1022-E1059 HydrophobicContact CB-CB 4.43Å; V1022-E1059 HydrophobicContact CG1-CB 4.23Å; V1022-E1059 HydrophobicContact CG2-CB 4.21Å; A1055-E1059 VanDerWaalsContact O-CG 3.32Å; A1055-E1059 WeakPolarHBondContact O-CG 3.35Å; G1056-E1059 PolarHBondContact O-N 3.48Å; F1057-E1059 PolarHBondContact O-N 3.33Å; F1057-E1059 VanDerWaalsContact O-N 3.15Å; E1059-L1061 VanDerWaalsContact C-N 3.27Å; E1059-L1061 PolarHBondContact O-N 2.94Å; E1059-T1062 PolarHBondContact O-OG1 3.3Å |
| 1060 | F | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -79.2 | -9.6 | 173.1 | -72.4 | -95.4 | 0 | 0 | 0 | 113.2 | V1022 L1030 L1048 W1051 V1052 F1057 K1058 W1084 | V1022-F1060 HydrophobicContact CG1-CD1 3.96Å; V1022-F1060 HydrophobicContact CG1-CD2 3.93Å; V1022-F1060 HydrophobicContact CG1-CE1 3.92Å; V1022-F1060 HydrophobicContact CG1-CE2 3.89Å; V1022-F1060 HydrophobicContact CG1-CG 3.98Å; V1022-F1060 HydrophobicContact CG1-CZ 3.88Å; V1022-F1060 HydrophobicContact CG2-CE2 4.45Å; L1030-F1060 HydrophobicContact CD1-CD1 4.47Å; L1048-F1060 HydrophobicContact CD1-CD1 4.39Å; L1048-F1060 HydrophobicContact CD1-CE1 3.48Å; L1048-F1060 VanDerWaalsContact CD1-CE1 3.48Å; L1048-F1060 HydrophobicContact CD1-CZ 3.86Å; W1051-F1060 HydrophobicContact CB-CE2 4.4Å; W1051-F1060 HydrophobicContact CB-CZ 3.96Å; V1052-F1060 HydrophobicContact CG2-CD2 4.03Å; V1052-F1060 HydrophobicContact CG2-CE2 3.78Å; V1052-F1060 HydrophobicContact CG2-CZ 4.41Å; F1057-F1060 WeakPolarHBondContact O-CB 2.77Å; F1057-F1060 PolarHBondContact O-N 3.42Å; F1057-F1060 VanDerWaalsContact O-N 3.07Å; K1058-F1060 PolarHBondContact O-N 3.16Å; F1060-W1084 HydrophobicContact CB-CH2 4.35Å; F1060-W1084 HydrophobicContact CD1-CH2 4.11Å; F1060-W1084 HydrophobicContact CG-CH2 4.12Å |
| 1061 | L | 89 | Confident | 90.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -110.6 | 14.6 | -175.2 | -59.1 | 176.8 | 0 | 0 | 0 | 113.9 | F1057 K1058 E1059 I1066 L1096 D1100 L1101 | F1057-L1061 HydrophobicContact CD1-CD1 4.35Å; F1057-L1061 HydrophobicContact CE1-CD1 3.91Å; F1057-L1061 HydrophobicContact CZ-CD1 4.33Å; K1058-L1061 PolarHBondContact O-N 3.11Å; E1059-L1061 VanDerWaalsContact C-N 3.27Å; E1059-L1061 PolarHBondContact O-N 2.94Å; L1061-I1066 HydrophobicContact CD2-CG1 4.24Å; L1061-L1096 HydrophobicContact CD1-CB 4.2Å; L1061-L1096 HydrophobicContact CD1-CD1 4.22Å; L1061-L1096 HydrophobicContact CD1-CD2 4.04Å; L1061-L1096 HydrophobicContact CD1-CG 4.39Å; L1061-D1100 WeakPolarHBondContact CA-OD2 3.48Å; L1061-D1100 HydrophobicContact CB-CB 4.24Å; L1061-D1100 HydrophobicContact CD2-CB 4.36Å; L1061-D1100 VanDerWaalsContact O-CB 3.31Å; L1061-D1100 WeakPolarHBondContact O-CB 3.4Å; L1061-L1101 HydrophobicContact CD1-CD1 4.47Å; L1061-L1101 HydrophobicContact CD1-CD2 4.27Å; L1061-L1101 HydrophobicContact CD1-CG 4.28Å; L1061-L1101 HydrophobicContact CD2-CD2 4.17Å |
| 1062 | T | 82.4 | Confident | 90 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -110.1 | -7.3 | -176.2 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | E1059 P1097 D1100 | E1059-T1062 PolarHBondContact O-OG1 3.3Å; T1062-P1097 HydrophobicContact CG2-CG 4.47Å; T1062-D1100 PolarHBondContact N-OD2 3.44Å |
| 1063 | S | 81.3 | Confident | 89.6 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -139.8 | 25.1 | -164.5 | -69 | 0 | 0 | 0 | 0 | 113.9 | I1065 D1100 | S1063-I1065 PolarHBondContact O-N 3.13Å; S1063-I1065 VanDerWaalsContact O-N 3.09Å; S1063-D1100 PolarHBondContact N-OD2 3.01Å |
| 1064 | E | 88.4 | Confident | 89.5 | Confident | 85 Ų | 85 | 41 Ų | 41 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 53.6 | 25.9 | -176.3 | -55.5 | -171.5 | -165.9 | 0 | 0 | 114.3 | P1067 N1068 D1100 L1103 | E1064-P1067 HydrophobicContact CB-CG 4.41Å; E1064-N1068 VanDerWaalsContact O-CB 3.25Å; E1064-N1068 WeakPolarHBondContact O-CB 3.46Å; E1064-N1068 PolarHBondContact O-N 2.89Å; E1064-N1068 VanDerWaalsContact O-N 3.08Å; E1064-N1068 PolarHBondContact O-ND2 2.66Å; E1064-D1100 WeakPolarHBondContact CA-OD1 3.43Å; E1064-D1100 VanDerWaalsContact CA-OD2 3.26Å; E1064-D1100 WeakPolarHBondContact CA-OD2 3.44Å; E1064-D1100 VanDerWaalsContact N-CG 3.32Å; E1064-D1100 PolarHBondContact N-OD1 3.29Å; E1064-D1100 PolarHBondContact N-OD2 3.47Å; E1064-L1103 HydrophobicContact CG-CD1 3.69Å |
| 1065 | I | 89.9 | Confident | 89.4 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | -175.9 | -57.4 | 174.7 | 0 | 0 | 0 | 109.4 | V1022 L1030 S1063 A1069 | V1022-I1065 HydrophobicContact CG1-CD1 4.03Å; L1030-I1065 HydrophobicContact CD1-CG2 3.43Å; L1030-I1065 VanDerWaalsContact CD1-CG2 3.43Å; S1063-I1065 PolarHBondContact O-N 3.13Å; S1063-I1065 VanDerWaalsContact O-N 3.09Å; I1065-A1069 PolarHBondContact O-N 2.77Å; I1065-A1069 VanDerWaalsContact O-N 3.09Å |
| 1066 | I | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.5 | -48.3 | -178.9 | -51.8 | -54.5 | 0 | 0 | 0 | 112.4 | L1030 L1061 N1068 A1069 L1070 V1081 W1084 L1085 | L1030-I1066 HydrophobicContact CD1-CD1 3.62Å; L1030-I1066 HydrophobicContact CD2-CD1 4.34Å; L1061-I1066 HydrophobicContact CD2-CG1 4.24Å; I1066-N1068 VanDerWaalsContact C-N 3.26Å; I1066-N1068 PolarHBondContact O-N 3.46Å; I1066-A1069 PolarHBondContact O-N 3.21Å; I1066-L1070 HydrophobicContact CG2-CD1 4.19Å; I1066-L1070 HydrophobicContact CG2-CG 4.42Å; I1066-L1070 WeakPolarHBondContact O-CG 3.49Å; I1066-L1070 PolarHBondContact O-N 3.19Å; I1066-V1081 HydrophobicContact CG2-CG1 4.06Å; I1066-W1084 HydrophobicContact CD1-CE3 4.46Å; I1066-W1084 HydrophobicContact CD1-CH2 4.37Å; I1066-W1084 HydrophobicContact CD1-CZ3 3.61Å; I1066-L1085 HydrophobicContact CG2-CD1 4.37Å; I1066-L1085 HydrophobicContact CG2-CD2 3.86Å |
| 1067 | P | 90.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53 | -42.1 | 173.6 | -26.4 | 31.2 | 0 | 0 | 0 | 113.2 | E1064 L1070 K1071 D1100 L1103 L1107 | E1064-P1067 HydrophobicContact CB-CG 4.41Å; P1067-L1070 PolarHBondContact O-N 3.23Å; P1067-K1071 VanDerWaalsContact O-CG 3.31Å; P1067-K1071 WeakPolarHBondContact O-CG 3.21Å; P1067-K1071 PolarHBondContact O-N 3.48Å; P1067-D1100 HydrophobicContact CG-CB 4.15Å; P1067-L1103 HydrophobicContact CB-CB 4.01Å; P1067-L1103 HydrophobicContact CG-CB 3.67Å; P1067-L1103 HydrophobicContact CG-CD1 4.34Å; P1067-L1107 WeakPolarHBondContact O-CD1 3.38Å |
| 1068 | N | 91.1 | Very high | 89.9 | Confident | 79 Ų | 79 | 43.5 Ų | 43.5 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.1 | -35.4 | -179.5 | -69.5 | -33.3 | 0 | 0 | 0 | 112.8 | E1064 I1066 K1071 | E1064-N1068 VanDerWaalsContact O-CB 3.25Å; E1064-N1068 WeakPolarHBondContact O-CB 3.46Å; E1064-N1068 PolarHBondContact O-N 2.89Å; E1064-N1068 VanDerWaalsContact O-N 3.08Å; E1064-N1068 PolarHBondContact O-ND2 2.66Å; I1066-N1068 VanDerWaalsContact C-N 3.26Å; I1066-N1068 PolarHBondContact O-N 3.46Å; N1068-K1071 PolarHBondContact O-N 3.2Å; N1068-K1071 PolarHBondContact OD1-NZ 3.16Å; N1068-K1071 VanDerWaalsContact OD1-NZ 3.08Å |
| 1069 | A | 91.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 40.5 Ų | 40.5 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1065 I1066 S1072 V1081 | I1065-A1069 PolarHBondContact O-N 2.77Å; I1065-A1069 VanDerWaalsContact O-N 3.09Å; I1066-A1069 PolarHBondContact O-N 3.21Å; A1069-S1072 WeakPolarHBondContact O-CB 3.33Å; A1069-S1072 PolarHBondContact O-N 3.13Å; A1069-V1081 HydrophobicContact CB-CG2 4.46Å |
| 1070 | L | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.1 | -33.8 | 178.5 | -72.6 | 178.7 | 0 | 0 | 0 | 113.2 | I1066 P1067 S1072 V1081 L1082 C1104 L1107 F1111 | I1066-L1070 HydrophobicContact CG2-CD1 4.19Å; I1066-L1070 HydrophobicContact CG2-CG 4.42Å; I1066-L1070 WeakPolarHBondContact O-CG 3.49Å; I1066-L1070 PolarHBondContact O-N 3.19Å; P1067-L1070 PolarHBondContact O-N 3.23Å; L1070-S1072 PolarHBondContact O-N 2.9Å; L1070-S1072 VanDerWaalsContact O-N 3.16Å; L1070-V1081 HydrophobicContact CD2-CB 4.03Å; L1070-V1081 HydrophobicContact CD2-CG1 3.66Å; L1070-V1081 HydrophobicContact CG-CG1 4.03Å; L1070-L1082 HydrophobicContact CD1-CD2 4.41Å; L1070-L1082 HydrophobicContact CD2-CD2 4.02Å; L1070-L1082 HydrophobicContact CD2-CG 3.92Å; L1070-C1104 HydrophobicContact CD1-CB 4.19Å; L1070-L1107 HydrophobicContact CB-CD1 3.8Å; L1070-F1111 HydrophobicContact CB-CE2 4.03Å; L1070-F1111 HydrophobicContact CB-CZ 4.38Å; L1070-F1111 HydrophobicContact CD2-CE2 4.08Å; L1070-F1111 HydrophobicContact CG-CE2 4.46Å; L1070-F1111 VanDerWaalsContact O-CZ 3.27Å; L1070-F1111 WeakPolarHBondContact O-CZ 3.09Å |
| 1071 | K | 91.3 | Very high | 90.6 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.5 | 174.7 | -73.5 | 170.1 | -165.3 | 163.7 | 0 | 113.7 | P1067 N1068 L1107 | P1067-K1071 VanDerWaalsContact O-CG 3.31Å; P1067-K1071 WeakPolarHBondContact O-CG 3.21Å; P1067-K1071 PolarHBondContact O-N 3.48Å; N1068-K1071 PolarHBondContact O-N 3.2Å; N1068-K1071 PolarHBondContact OD1-NZ 3.16Å; N1068-K1071 VanDerWaalsContact OD1-NZ 3.08Å; K1071-L1107 HydrophobicContact CG-CD1 3.89Å; K1071-L1107 HydrophobicContact CG-CD2 4.03Å |
| 1072 | S | 86.5 | Confident | 90.9 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -58.9 | 146.8 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 112.5 | A1069 L1070 S1074 R1078 | A1069-S1072 WeakPolarHBondContact O-CB 3.33Å; A1069-S1072 PolarHBondContact O-N 3.13Å; L1070-S1072 PolarHBondContact O-N 2.9Å; L1070-S1072 VanDerWaalsContact O-N 3.16Å; S1072-S1074 PolarHBondContact O-N 3.08Å; S1072-S1074 PolarHBondContact OG-N 2.85Å; S1072-R1078 PolarHBondContact O-NE 3.43Å; S1072-R1078 PolarHBondContact O-NH2 3.29Å |
| 1073 | D | 83.6 | Confident | 91.4 | Very high | 145 Ų | 145 | 39 Ų | 39 | 78% | 0.775 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -75.4 | -3 | 176.9 | -75.3 | -31.8 | 0 | 0 | 0 | 114.5 | P1075 R1078 | D1073-P1075 VanDerWaalsContact O-CD 3.23Å; D1073-P1075 WeakPolarHBondContact O-CD 3.38Å; D1073-R1078 IonicContact OD1-NH2 2.69Å |
| 1074 | S | 91.5 | Very high | 92.1 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | trans | -80.5 | 113 | -179 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | S1072 V1076 L1077 R1078 | S1072-S1074 PolarHBondContact O-N 3.08Å; S1072-S1074 PolarHBondContact OG-N 2.85Å; S1074-V1076 VanDerWaalsContact C-N 3.29Å; S1074-V1076 PolarHBondContact O-N 3.02Å; S1074-L1077 PolarHBondContact O-N 3.01Å; S1074-L1077 PolarHBondContact OG-N 3.45Å; S1074-R1078 WeakPolarHBondContact O-CG 3.47Å; S1074-R1078 PolarHBondContact O-N 3.48Å | ||
| 1075 | P | 90.4 | Very high | 92.3 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.3 | -29.6 | 178.9 | 27.2 | -34.1 | 0 | 0 | 0 | 112.4 | D1073 R1078 T1079 N1116 V1119 | D1073-P1075 VanDerWaalsContact O-CD 3.23Å; D1073-P1075 WeakPolarHBondContact O-CD 3.38Å; P1075-R1078 PolarHBondContact O-N 3.36Å; P1075-T1079 WeakPolarHBondContact O-CB 3.4Å; P1075-T1079 PolarHBondContact O-N 3.41Å; P1075-T1079 PolarHBondContact O-OG1 3.32Å; P1075-N1116 HydrophobicContact CB-CB 4.08Å; P1075-V1119 HydrophobicContact CB-CG2 3.92Å; P1075-V1119 VanDerWaalsContact O-CG2 3.3Å; P1075-V1119 WeakPolarHBondContact O-CG2 3.3Å |
| 1076 | V | 92.9 | Very high | 92.4 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 174.9 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | S1074 R1078 T1079 E1080 | S1074-V1076 VanDerWaalsContact C-N 3.29Å; S1074-V1076 PolarHBondContact O-N 3.02Å; V1076-R1078 PolarHBondContact O-N 3.35Å; V1076-T1079 PolarHBondContact O-N 3.41Å; V1076-E1080 HydrophobicContact CG1-CG 4.33Å; V1076-E1080 VanDerWaalsContact O-CG 3.27Å; V1076-E1080 WeakPolarHBondContact O-CG 3.47Å; V1076-E1080 PolarHBondContact O-N 3.45Å |
| 1077 | L | 95.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.5 | -48.2 | 176.2 | 178.4 | 61 | 0 | 0 | 0 | 111.3 | L1030 L1033 S1074 T1079 E1080 V1081 | L1030-L1077 WeakPolarHBondContact O-CD1 3.32Å; L1033-L1077 HydrophobicContact CB-CD1 3.59Å; S1074-L1077 PolarHBondContact O-N 3.01Å; S1074-L1077 PolarHBondContact OG-N 3.45Å; L1077-T1079 VanDerWaalsContact C-N 3.32Å; L1077-T1079 PolarHBondContact O-N 2.94Å; L1077-E1080 PolarHBondContact O-N 3.27Å; L1077-V1081 HydrophobicContact CD1-CG2 3.61Å; L1077-V1081 HydrophobicContact CG-CG2 4.16Å; L1077-V1081 WeakPolarHBondContact O-CB 3.34Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.34Å; L1077-V1081 PolarHBondContact O-N 3.35Å |
| 1078 | R | 94.8 | Very high | 92.3 | Very high | 34 Ų | 34 | 37.1 Ų | 37.1 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.5 | -45.8 | 177.2 | -69.6 | 176.1 | -170.1 | 164.1 | 3.4 | 111.9 | S1072 D1073 S1074 P1075 V1076 L1082 F1111 D1114 V1119 | S1072-R1078 PolarHBondContact O-NE 3.43Å; S1072-R1078 PolarHBondContact O-NH2 3.29Å; D1073-R1078 IonicContact OD1-NH2 2.69Å; S1074-R1078 WeakPolarHBondContact O-CG 3.47Å; S1074-R1078 PolarHBondContact O-N 3.48Å; P1075-R1078 PolarHBondContact O-N 3.36Å; V1076-R1078 PolarHBondContact O-N 3.35Å; R1078-L1082 VanDerWaalsContact O-CB 3.29Å; R1078-L1082 WeakPolarHBondContact O-CB 3.45Å; R1078-L1082 WeakPolarHBondContact O-CD1 3.46Å; R1078-L1082 WeakPolarHBondContact O-CG 3.46Å; R1078-L1082 PolarHBondContact O-N 3.32Å; R1078-F1111 HydrophobicContact CG-CE1 4.48Å; R1078-F1111 HydrophobicContact CG-CE2 4.38Å; R1078-F1111 HydrophobicContact CG-CZ 4.14Å; R1078-D1114 IonicContact NH1-OD2 3.61Å; R1078-D1114 PolarHBondContact NH1-OD2 2.94Å; R1078-V1119 HydrophobicContact CB-CG1 4.24Å; R1078-V1119 HydrophobicContact CB-CG2 4.13Å |
| 1079 | T | 95 | Very high | 92.3 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 17% | 0.172 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 180 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | P1075 V1076 L1077 S1083 D1118 V1119 | P1075-T1079 WeakPolarHBondContact O-CB 3.4Å; P1075-T1079 PolarHBondContact O-N 3.41Å; P1075-T1079 PolarHBondContact O-OG1 3.32Å; V1076-T1079 PolarHBondContact O-N 3.41Å; L1077-T1079 VanDerWaalsContact C-N 3.32Å; L1077-T1079 PolarHBondContact O-N 2.94Å; T1079-S1083 WeakPolarHBondContact O-CB 3.46Å; T1079-S1083 PolarHBondContact O-N 2.9Å; T1079-D1118 HydrophobicContact CG2-CB 3.92Å; T1079-V1119 VanDerWaalsContact OG1-CG2 3.26Å; T1079-V1119 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1080 | E | 95.9 | Very high | 92 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | -178.2 | -59.5 | -76.6 | -171.8 | 0 | 0 | 111.3 | L1033 R1041 V1076 L1077 S1083 W1084 | L1033-E1080 HydrophobicContact CB-CB 4.27Å; L1033-E1080 HydrophobicContact CD1-CB 4.32Å; R1041-E1080 IonicContact CZ-OE1 2.61Å; R1041-E1080 IonicContact NE-OE1 3.9Å; R1041-E1080 PolarHBondContact NE-OE1 3.48Å; R1041-E1080 IonicContact NH2-OE1 2.58Å; R1041-E1080 PolarHBondContact NH2-OE1 3.01Å; V1076-E1080 HydrophobicContact CG1-CG 4.33Å; V1076-E1080 VanDerWaalsContact O-CG 3.27Å; V1076-E1080 WeakPolarHBondContact O-CG 3.47Å; V1076-E1080 PolarHBondContact O-N 3.45Å; L1077-E1080 PolarHBondContact O-N 3.27Å; E1080-S1083 PolarHBondContact O-N 2.95Å; E1080-W1084 VanDerWaalsContact O-CB 3.3Å; E1080-W1084 WeakPolarHBondContact O-CB 3.31Å; E1080-W1084 PolarHBondContact O-N 2.79Å |
| 1081 | V | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 179 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | L1030 L1033 I1066 A1069 L1070 L1077 S1083 W1084 L1085 | L1030-V1081 HydrophobicContact CD2-CG2 4.04Å; L1033-V1081 HydrophobicContact CD1-CG2 4.11Å; I1066-V1081 HydrophobicContact CG2-CG1 4.06Å; A1069-V1081 HydrophobicContact CB-CG2 4.46Å; L1070-V1081 HydrophobicContact CD2-CB 4.03Å; L1070-V1081 HydrophobicContact CD2-CG1 3.66Å; L1070-V1081 HydrophobicContact CG-CG1 4.03Å; L1077-V1081 HydrophobicContact CD1-CG2 3.61Å; L1077-V1081 HydrophobicContact CG-CG2 4.16Å; L1077-V1081 WeakPolarHBondContact O-CB 3.34Å; L1077-V1081 WeakPolarHBondContact O-CG2 3.34Å; L1077-V1081 PolarHBondContact O-N 3.35Å; V1081-S1083 VanDerWaalsContact C-N 3.26Å; V1081-S1083 PolarHBondContact O-N 2.95Å; V1081-W1084 PolarHBondContact O-N 3.4Å; V1081-L1085 WeakPolarHBondContact O-CB 3.13Å; V1081-L1085 PolarHBondContact O-N 2.95Å |
| 1082 | L | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -36.3 | 176 | -71.5 | 166 | 0 | 0 | 0 | 111.4 | L1070 R1078 S1086 T1108 F1111 V1119 Q1122 A1123 V1126 | L1070-L1082 HydrophobicContact CD1-CD2 4.41Å; L1070-L1082 HydrophobicContact CD2-CD2 4.02Å; L1070-L1082 HydrophobicContact CD2-CG 3.92Å; R1078-L1082 VanDerWaalsContact O-CB 3.29Å; R1078-L1082 WeakPolarHBondContact O-CB 3.45Å; R1078-L1082 WeakPolarHBondContact O-CD1 3.46Å; R1078-L1082 WeakPolarHBondContact O-CG 3.46Å; R1078-L1082 PolarHBondContact O-N 3.32Å; L1082-S1086 WeakPolarHBondContact O-CB 3.49Å; L1082-S1086 PolarHBondContact O-N 3.03Å; L1082-T1108 HydrophobicContact CD2-CG2 4.48Å; L1082-F1111 HydrophobicContact CD1-CD2 3.98Å; L1082-F1111 HydrophobicContact CD2-CD2 4.46Å; L1082-V1119 HydrophobicContact CD1-CG1 4.38Å; L1082-Q1122 HydrophobicContact CB-CB 3.85Å; L1082-Q1122 HydrophobicContact CB-CG 3.56Å; L1082-Q1122 HydrophobicContact CD1-CB 4.35Å; L1082-A1123 HydrophobicContact CD1-CB 4.16Å; L1082-V1126 HydrophobicContact CD2-CG1 3.97Å |
| 1083 | S | 94.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68 | -50.6 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 112 | T1079 E1080 V1081 L1085 S1086 S1087 Q1122 | T1079-S1083 WeakPolarHBondContact O-CB 3.46Å; T1079-S1083 PolarHBondContact O-N 2.9Å; E1080-S1083 PolarHBondContact O-N 2.95Å; V1081-S1083 VanDerWaalsContact C-N 3.26Å; V1081-S1083 PolarHBondContact O-N 2.95Å; S1083-L1085 VanDerWaalsContact C-N 3.3Å; S1083-L1085 PolarHBondContact O-N 3.18Å; S1083-S1086 WeakPolarHBondContact O-CB 3.31Å; S1083-S1086 PolarHBondContact O-N 3.29Å; S1083-S1087 PolarHBondContact O-N 3.24Å; S1083-S1087 VanDerWaalsContact O-N 3.12Å; S1083-Q1122 VanDerWaalsContact N-CG 3.25Å; S1083-Q1122 PolarHBondContact OG-NE2 2.99Å |
| 1084 | W | 95.2 | Very high | 90.1 | Very high | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.049 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 176.2 | 179.8 | 80.1 | 0 | 0 | 0 | 111.9 | L1045 L1048 N1049 V1052 F1057 F1060 I1066 E1080 V1081 S1087 N1088 | L1045-W1084 HydrophobicContact CD2-CB 4.15Å; L1045-W1084 HydrophobicContact CD2-CG 4.2Å; L1048-W1084 HydrophobicContact CD1-CZ2 4.21Å; L1048-W1084 HydrophobicContact CD2-CD2 3.81Å; L1048-W1084 VanDerWaalsContact CD2-CE2 3.4Å; L1048-W1084 HydrophobicContact CD2-CE3 4.34Å; L1048-W1084 HydrophobicContact CD2-CG 4.27Å; L1048-W1084 HydrophobicContact CD2-CH2 4.13Å; L1048-W1084 HydrophobicContact CD2-CZ2 3.56Å; L1048-W1084 HydrophobicContact CD2-CZ3 4.5Å; L1048-W1084 HydrophobicContact CG-CH2 4.31Å; L1048-W1084 HydrophobicContact CG-CZ2 3.55Å; N1049-W1084 PolarHBondContact OD1-NE1 3.49Å; V1052-W1084 HydrophobicContact CG2-CH2 4.15Å; V1052-W1084 HydrophobicContact CG2-CZ2 3.49Å; V1052-W1084 VanDerWaalsContact CG2-CZ2 3.49Å; F1057-W1084 HydrophobicContact CD2-CH2 4.18Å; F1057-W1084 AromaticContact CE2-CH2 3.78Å; F1057-W1084 HydrophobicContact CE2-CH2 3.78Å; F1057-W1084 HydrophobicContact CE2-CZ2 4.39Å; F1057-W1084 AromaticContact CE2-CZ3 3.91Å; F1057-W1084 HydrophobicContact CE2-CZ3 3.91Å; F1060-W1084 HydrophobicContact CB-CH2 4.35Å; F1060-W1084 HydrophobicContact CD1-CH2 4.11Å; F1060-W1084 HydrophobicContact CG-CH2 4.12Å; I1066-W1084 HydrophobicContact CD1-CE3 4.46Å; I1066-W1084 HydrophobicContact CD1-CH2 4.37Å; I1066-W1084 HydrophobicContact CD1-CZ3 3.61Å; E1080-W1084 VanDerWaalsContact O-CB 3.3Å; E1080-W1084 WeakPolarHBondContact O-CB 3.31Å; E1080-W1084 PolarHBondContact O-N 2.79Å; V1081-W1084 PolarHBondContact O-N 3.4Å; W1084-S1087 PolarHBondContact O-N 2.97Å; W1084-N1088 VanDerWaalsContact CD1-ND2 3.3Å; W1084-N1088 VanDerWaalsContact CE2-ND2 3.26Å; W1084-N1088 PolarHBondContact NE1-ND2 3.48Å; W1084-N1088 PolarHBondContact O-N 2.81Å; W1084-N1088 PolarHBondContact O-ND2 3.47Å |
| 1085 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.2 | -174.7 | 57.8 | 0 | 0 | 0 | 112.2 | F1057 I1066 V1081 S1083 I1089 V1126 F1130 | F1057-L1085 HydrophobicContact CZ-CD1 3.95Å; I1066-L1085 HydrophobicContact CG2-CD1 4.37Å; I1066-L1085 HydrophobicContact CG2-CD2 3.86Å; V1081-L1085 WeakPolarHBondContact O-CB 3.13Å; V1081-L1085 PolarHBondContact O-N 2.95Å; S1083-L1085 VanDerWaalsContact C-N 3.3Å; S1083-L1085 PolarHBondContact O-N 3.18Å; L1085-I1089 HydrophobicContact CD1-CD1 3.72Å; L1085-I1089 HydrophobicContact CD1-CG1 4.14Å; L1085-I1089 HydrophobicContact CG-CD1 3.81Å; L1085-I1089 WeakPolarHBondContact O-CB 3.36Å; L1085-I1089 WeakPolarHBondContact O-CD1 3.28Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.44Å; L1085-I1089 PolarHBondContact O-N 2.83Å; L1085-V1126 HydrophobicContact CB-CG2 4.37Å; L1085-V1126 HydrophobicContact CD2-CG2 4.45Å; L1085-V1126 HydrophobicContact CG-CG2 4.19Å; L1085-F1130 HydrophobicContact CD2-CE2 3.52Å; L1085-F1130 HydrophobicContact CD2-CZ 3.61Å; L1085-F1130 HydrophobicContact CG-CE2 4.05Å; L1085-F1130 HydrophobicContact CG-CZ 4.33Å |
| 1086 | S | 91.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.7 | -52.3 | 176.5 | -158.7 | 0 | 0 | 0 | 0 | 111.2 | L1082 S1083 N1088 I1089 E1090 | L1082-S1086 WeakPolarHBondContact O-CB 3.49Å; L1082-S1086 PolarHBondContact O-N 3.03Å; S1083-S1086 WeakPolarHBondContact O-CB 3.31Å; S1083-S1086 PolarHBondContact O-N 3.29Å; S1086-N1088 PolarHBondContact O-N 3.48Å; S1086-I1089 PolarHBondContact O-N 3.28Å; S1086-E1090 WeakPolarHBondContact O-CG 3.46Å; S1086-E1090 PolarHBondContact O-N 3.39Å; S1086-E1090 VanDerWaalsContact O-N 3.11Å |
| 1087 | S | 91 | Very high | 88.4 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | -176.9 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | S1083 W1084 E1090 T1091 | S1083-S1087 PolarHBondContact O-N 3.24Å; S1083-S1087 VanDerWaalsContact O-N 3.12Å; W1084-S1087 PolarHBondContact O-N 2.97Å; S1087-E1090 PolarHBondContact O-N 3.3Å; S1087-T1091 WeakPolarHBondContact O-CB 3.43Å; S1087-T1091 PolarHBondContact O-N 2.85Å; S1087-T1091 VanDerWaalsContact O-N 3.07Å; S1087-T1091 PolarHBondContact O-OG1 3.07Å |
| 1088 | N | 91.3 | Very high | 87.3 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72 | -34 | -179.1 | -76.7 | -83.5 | 0 | 0 | 0 | 113 | F1057 W1084 S1086 T1091 T1092 | F1057-N1088 HydrophobicContact CD1-CB 4.2Å; F1057-N1088 HydrophobicContact CD2-CB 3.62Å; F1057-N1088 HydrophobicContact CE1-CB 3.95Å; F1057-N1088 HydrophobicContact CE2-CB 3.33Å; F1057-N1088 HydrophobicContact CG-CB 4.06Å; F1057-N1088 HydrophobicContact CZ-CB 3.52Å; W1084-N1088 VanDerWaalsContact CD1-ND2 3.3Å; W1084-N1088 VanDerWaalsContact CE2-ND2 3.26Å; W1084-N1088 PolarHBondContact NE1-ND2 3.48Å; W1084-N1088 PolarHBondContact O-N 2.81Å; W1084-N1088 PolarHBondContact O-ND2 3.47Å; S1086-N1088 PolarHBondContact O-N 3.48Å; N1088-T1091 PolarHBondContact O-N 3.15Å; N1088-T1092 WeakPolarHBondContact O-CB 3.5Å; N1088-T1092 PolarHBondContact O-N 3.25Å; N1088-T1092 PolarHBondContact O-OG1 3.29Å |
| 1089 | I | 89.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 173.8 | -69.3 | 168.7 | 0 | 0 | 0 | 110.6 | F1057 L1085 S1086 T1091 T1092 L1096 L1101 P1129 F1130 A1133 | F1057-I1089 HydrophobicContact CE1-CG1 3.9Å; F1057-I1089 HydrophobicContact CZ-CG1 4.14Å; L1085-I1089 HydrophobicContact CD1-CD1 3.72Å; L1085-I1089 HydrophobicContact CD1-CG1 4.14Å; L1085-I1089 HydrophobicContact CG-CD1 3.81Å; L1085-I1089 WeakPolarHBondContact O-CB 3.36Å; L1085-I1089 WeakPolarHBondContact O-CD1 3.28Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.44Å; L1085-I1089 PolarHBondContact O-N 2.83Å; S1086-I1089 PolarHBondContact O-N 3.28Å; I1089-T1091 VanDerWaalsContact C-N 3.29Å; I1089-T1091 PolarHBondContact O-N 3.07Å; I1089-T1092 PolarHBondContact O-N 2.98Å; I1089-L1096 HydrophobicContact CG1-CD1 4.09Å; I1089-L1096 HydrophobicContact CG2-CD1 4.27Å; I1089-L1101 HydrophobicContact CD1-CD2 3.99Å; I1089-P1129 HydrophobicContact CB-CB 4Å; I1089-P1129 HydrophobicContact CG2-CB 3.67Å; I1089-P1129 WeakPolarHBondContact CG2-O 3.39Å; I1089-F1130 HydrophobicContact CD1-CD2 4.33Å; I1089-F1130 HydrophobicContact CD1-CE2 4.24Å; I1089-A1133 HydrophobicContact CG2-CB 3.64Å |
| 1090 | E | 85.2 | Confident | 86 | Confident | 131 Ų | 131 | 60.6 Ų | 60.6 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | 178.8 | -73.1 | 170.6 | -175.1 | 0 | 0 | 112.6 | S1086 S1087 P1129 | S1086-E1090 WeakPolarHBondContact O-CG 3.46Å; S1086-E1090 PolarHBondContact O-N 3.39Å; S1086-E1090 VanDerWaalsContact O-N 3.11Å; S1087-E1090 PolarHBondContact O-N 3.3Å; E1090-P1129 HydrophobicContact CG-CB 4.17Å; E1090-P1129 HydrophobicContact CG-CG 3.69Å; E1090-P1129 WeakPolarHBondContact OE1-CG 3.49Å |
| 1091 | T | 83 | Confident | 85.5 | Confident | 104 Ų | 104 | 58.6 Ų | 58.6 | 64% | 0.638 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -81.6 | -26.9 | -177.5 | -45.7 | 0 | 0 | 0 | 0 | 112.3 | S1087 N1088 I1089 R1093 | S1087-T1091 WeakPolarHBondContact O-CB 3.43Å; S1087-T1091 PolarHBondContact O-N 2.85Å; S1087-T1091 VanDerWaalsContact O-N 3.07Å; S1087-T1091 PolarHBondContact O-OG1 3.07Å; N1088-T1091 PolarHBondContact O-N 3.15Å; I1089-T1091 VanDerWaalsContact C-N 3.29Å; I1089-T1091 PolarHBondContact O-N 3.07Å; T1091-R1093 PolarHBondContact O-N 2.92Å |
| 1092 | T | 82.4 | Confident | 84.8 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 23% | 0.233 | 31% | 0.312 | C | S | . | . | trans | -82.3 | 112.1 | -176.2 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | F1057 N1088 I1089 E1094 L1096 | F1057-T1092 HydrophobicContact CD1-CG2 4.46Å; F1057-T1092 WeakPolarHBondContact CD1-OG1 3.24Å; N1088-T1092 WeakPolarHBondContact O-CB 3.5Å; N1088-T1092 PolarHBondContact O-N 3.25Å; N1088-T1092 PolarHBondContact O-OG1 3.29Å; I1089-T1092 PolarHBondContact O-N 2.98Å; T1092-E1094 HydrophobicContact CG2-CB 4.18Å; T1092-L1096 HydrophobicContact CG2-CD2 3.72Å; T1092-L1096 HydrophobicContact CG2-CG 4.48Å | ||
| 1093 | R | 75.5 | Confident | 84.4 | Confident | 253 Ų | 253 | 66.4 Ų | 66.4 | 96% | 0.955 | 33% | 0.331 | S | S | * | . | trans | -79.8 | -19.9 | 177.8 | -62.8 | -175.6 | 179.9 | -174.9 | -0.3 | 113.9 | T1091 | T1091-R1093 PolarHBondContact O-N 2.92Š| ||
| 1094 | E | 74.4 | Confident | 84.1 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -73 | 150.8 | -179.3 | -65.5 | -176.8 | -171.8 | 0 | 0 | 112.3 | T1092 L1096 | T1092-E1094 HydrophobicContact CG2-CB 4.18Å; E1094-L1096 PolarHBondContact O-N 2.94Å; E1094-L1096 VanDerWaalsContact O-N 3.11Å |
| 1095 | R | 75.9 | Confident | 83.6 | Confident | 249 Ų | 249 | 63.6 Ų | 63.6 | 94% | 0.94 | 31% | 0.313 | S | S | * | . | trans | -65.4 | 112 | 176.3 | -172.6 | 177.4 | -177.3 | -179.2 | 1.1 | 110.4 | ||||
| 1096 | L | 84 | Confident | 83.2 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -76.4 | 149 | -178.5 | -62.8 | 176 | 0 | 0 | 0 | 112.6 | F1057 L1061 I1089 T1092 E1094 D1098 L1101 A1133 | F1057-L1096 HydrophobicContact CD1-CD1 4.32Å; F1057-L1096 HydrophobicContact CD1-CD2 3.78Å; F1057-L1096 HydrophobicContact CE1-CD1 3.98Å; F1057-L1096 HydrophobicContact CE1-CD2 4.21Å; L1061-L1096 HydrophobicContact CD1-CB 4.2Å; L1061-L1096 HydrophobicContact CD1-CD1 4.22Å; L1061-L1096 HydrophobicContact CD1-CD2 4.04Å; L1061-L1096 HydrophobicContact CD1-CG 4.39Å; I1089-L1096 HydrophobicContact CG1-CD1 4.09Å; I1089-L1096 HydrophobicContact CG2-CD1 4.27Å; T1092-L1096 HydrophobicContact CG2-CD2 3.72Å; T1092-L1096 HydrophobicContact CG2-CG 4.48Å; E1094-L1096 PolarHBondContact O-N 2.94Å; E1094-L1096 VanDerWaalsContact O-N 3.11Å; L1096-D1098 PolarHBondContact O-N 3.44Å; L1096-L1101 HydrophobicContact CB-CD1 3.94Å; L1096-L1101 HydrophobicContact CD1-CD1 4.41Å; L1096-A1133 HydrophobicContact CD1-CB 4.03Å | ||
| 1097 | P | 78.8 | Confident | 83.1 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 29% | 0.292 | 34% | 0.338 | S | S | . | . | trans | -64.1 | 129.8 | 173.2 | -18.8 | 31 | 0 | 0 | 0 | 112 | K1058 T1062 G1099 | K1058-P1097 HydrophobicContact CB-CG 4.42Å; T1062-P1097 HydrophobicContact CG2-CG 4.47Å; P1097-G1099 VanDerWaalsContact C-N 3.26Å; P1097-G1099 PolarHBondContact O-N 3.45Å | ||
| 1098 | D | 72.4 | Confident | 83 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 28% | 0.283 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.1 | -19.6 | -175.7 | -122.7 | 10 | 0 | 0 | 0 | 113.5 | L1096 K1102 S1134 | L1096-D1098 PolarHBondContact O-N 3.44Å; D1098-K1102 HydrophobicContact CB-CD 4.49Å; D1098-K1102 WeakPolarHBondContact O-CB 3.29Å; D1098-K1102 WeakPolarHBondContact O-CD 3.49Å; D1098-K1102 WeakPolarHBondContact O-CG 3.1Å; D1098-K1102 PolarHBondContact O-N 2.9Å; D1098-K1102 VanDerWaalsContact OD2-CE 3.22Å; D1098-K1102 WeakPolarHBondContact OD2-CE 3.49Å; D1098-K1102 IonicContact OD2-NZ 2.67Å; D1098-K1102 PolarHBondContact OD2-NZ 2.97Å; D1098-S1134 PolarHBondContact OD1-OG 3.33Å |
| 1099 | G | 79 | Confident | 82.7 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -71.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1097 L1101 K1102 L1103 | P1097-G1099 VanDerWaalsContact C-N 3.26Å; P1097-G1099 PolarHBondContact O-N 3.45Å; G1099-L1101 PolarHBondContact O-N 3.03Å; G1099-K1102 WeakPolarHBondContact O-CB 3.41Å; G1099-K1102 PolarHBondContact O-N 3.43Å; G1099-K1102 VanDerWaalsContact O-N 3.13Å; G1099-L1103 PolarHBondContact O-N 3.33Å |
| 1100 | D | 82.7 | Confident | 82.5 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.5 | -32.4 | -179.8 | -78.7 | 4.1 | 0 | 0 | 0 | 111.7 | L1061 T1062 S1063 E1064 P1067 K1102 L1103 C1104 | L1061-D1100 WeakPolarHBondContact CA-OD2 3.48Å; L1061-D1100 HydrophobicContact CB-CB 4.24Å; L1061-D1100 HydrophobicContact CD2-CB 4.36Å; L1061-D1100 VanDerWaalsContact O-CB 3.31Å; L1061-D1100 WeakPolarHBondContact O-CB 3.4Å; T1062-D1100 PolarHBondContact N-OD2 3.44Å; S1063-D1100 PolarHBondContact N-OD2 3.01Å; E1064-D1100 WeakPolarHBondContact CA-OD1 3.43Å; E1064-D1100 VanDerWaalsContact CA-OD2 3.26Å; E1064-D1100 WeakPolarHBondContact CA-OD2 3.44Å; E1064-D1100 VanDerWaalsContact N-CG 3.32Å; E1064-D1100 PolarHBondContact N-OD1 3.29Å; E1064-D1100 PolarHBondContact N-OD2 3.47Å; P1067-D1100 HydrophobicContact CG-CB 4.15Å; D1100-K1102 VanDerWaalsContact C-N 3.35Å; D1100-K1102 PolarHBondContact O-N 2.9Å; D1100-L1103 WeakPolarHBondContact O-CB 3.49Å; D1100-L1103 PolarHBondContact O-N 3.22Å; D1100-L1103 VanDerWaalsContact O-N 3.08Å; D1100-C1104 PolarHBondContact O-N 3.3Å; D1100-C1104 PolarHBondContact O-SG 3.28Å; D1100-C1104 VanDerWaalsContact O-SG 3.34Å |
| 1101 | L | 84.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.4 | -67.8 | 176.5 | 0 | 0 | 0 | 111.5 | L1061 I1089 L1096 G1099 L1103 C1104 L1105 F1130 A1133 | L1061-L1101 HydrophobicContact CD1-CD1 4.47Å; L1061-L1101 HydrophobicContact CD1-CD2 4.27Å; L1061-L1101 HydrophobicContact CD1-CG 4.28Å; L1061-L1101 HydrophobicContact CD2-CD2 4.17Å; I1089-L1101 HydrophobicContact CD1-CD2 3.99Å; L1096-L1101 HydrophobicContact CB-CD1 3.94Å; L1096-L1101 HydrophobicContact CD1-CD1 4.41Å; G1099-L1101 PolarHBondContact O-N 3.03Å; L1101-L1103 VanDerWaalsContact C-N 3.26Å; L1101-L1103 PolarHBondContact O-N 3.06Å; L1101-C1104 PolarHBondContact O-N 2.98Å; L1101-L1105 PolarHBondContact O-N 3.44Å; L1101-F1130 HydrophobicContact CB-CD1 4.39Å; L1101-F1130 HydrophobicContact CB-CE1 3.98Å; L1101-F1130 HydrophobicContact CD2-CD1 4.16Å; L1101-F1130 HydrophobicContact CD2-CE1 3.56Å; L1101-F1130 HydrophobicContact CD2-CZ 3.98Å; L1101-F1130 HydrophobicContact CG-CE1 4.38Å; L1101-F1130 VanDerWaalsContact O-CE1 3.29Å; L1101-F1130 WeakPolarHBondContact O-CE1 3.33Å; L1101-A1133 HydrophobicContact CD1-CB 3.99Å |
| 1102 | K | 81.8 | Confident | 82.9 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -35 | 173.3 | -79.1 | 166.7 | -177.6 | 162.2 | 0 | 112.6 | D1098 G1099 D1100 P1106 N1138 | D1098-K1102 HydrophobicContact CB-CD 4.49Å; D1098-K1102 WeakPolarHBondContact O-CB 3.29Å; D1098-K1102 WeakPolarHBondContact O-CD 3.49Å; D1098-K1102 WeakPolarHBondContact O-CG 3.1Å; D1098-K1102 PolarHBondContact O-N 2.9Å; D1098-K1102 VanDerWaalsContact OD2-CE 3.22Å; D1098-K1102 WeakPolarHBondContact OD2-CE 3.49Å; D1098-K1102 IonicContact OD2-NZ 2.67Å; D1098-K1102 PolarHBondContact OD2-NZ 2.97Å; G1099-K1102 WeakPolarHBondContact O-CB 3.41Å; G1099-K1102 PolarHBondContact O-N 3.43Å; G1099-K1102 VanDerWaalsContact O-N 3.13Å; D1100-K1102 VanDerWaalsContact C-N 3.35Å; D1100-K1102 PolarHBondContact O-N 2.9Å; K1102-P1106 WeakPolarHBondContact O-CD 3.35Å; K1102-N1138 WeakPolarHBondContact CE-ND2 3.42Å |
| 1103 | L | 86.2 | Confident | 82.8 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.8 | -28.3 | 179 | -63.6 | 175.4 | 0 | 0 | 0 | 113 | E1064 P1067 G1099 D1100 L1101 | E1064-L1103 HydrophobicContact CG-CD1 3.69Å; P1067-L1103 HydrophobicContact CB-CB 4.01Å; P1067-L1103 HydrophobicContact CG-CB 3.67Å; P1067-L1103 HydrophobicContact CG-CD1 4.34Å; G1099-L1103 PolarHBondContact O-N 3.33Å; D1100-L1103 WeakPolarHBondContact O-CB 3.49Å; D1100-L1103 PolarHBondContact O-N 3.22Å; D1100-L1103 VanDerWaalsContact O-N 3.08Å; L1101-L1103 VanDerWaalsContact C-N 3.26Å; L1101-L1103 PolarHBondContact O-N 3.06Å |
| 1104 | C | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76 | -28.1 | 175.9 | -70.2 | 0 | 0 | 0 | 0 | 113.7 | L1070 D1100 L1101 L1107 T1108 F1130 | L1070-C1104 HydrophobicContact CD1-CB 4.19Å; D1100-C1104 PolarHBondContact O-N 3.3Å; D1100-C1104 PolarHBondContact O-SG 3.28Å; D1100-C1104 VanDerWaalsContact O-SG 3.34Å; L1101-C1104 PolarHBondContact O-N 2.98Å; C1104-L1107 PolarHBondContact O-N 3.29Å; C1104-T1108 PolarHBondContact O-N 3.26Å; C1104-T1108 PolarHBondContact O-OG1 3.09Å; C1104-F1130 HydrophobicContact CB-CE1 3.69Å; C1104-F1130 HydrophobicContact CB-CE2 4.47Å; C1104-F1130 HydrophobicContact CB-CZ 3.37Å |
| 1105 | L | 85.1 | Confident | 84 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.6 | -53.8 | -177.9 | -95.2 | 153.5 | 0 | 0 | 0 | 113.3 | L1101 L1107 T1108 F1109 F1130 V1139 L1142 | L1101-L1105 PolarHBondContact O-N 3.44Å; L1105-L1107 VanDerWaalsContact C-N 3.28Å; L1105-L1107 PolarHBondContact O-N 2.64Å; L1105-T1108 PolarHBondContact O-N 3.27Å; L1105-F1109 HydrophobicContact CD2-CD2 4.33Å; L1105-F1109 HydrophobicContact CD2-CE2 3.69Å; L1105-F1109 WeakPolarHBondContact O-CD2 3.41Å; L1105-F1109 PolarHBondContact O-N 2.69Å; L1105-F1130 HydrophobicContact CD1-CD1 4.35Å; L1105-F1130 HydrophobicContact CG-CD1 3.96Å; L1105-F1130 HydrophobicContact CG-CE1 4.44Å; L1105-V1139 HydrophobicContact CD1-CG2 4.21Å; L1105-V1139 HydrophobicContact CD2-CG2 3.89Å; L1105-L1142 HydrophobicContact CB-CD2 4.49Å |
| 1106 | P | 84.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.6 | -38 | 177.7 | -22.9 | 29.9 | 0 | 0 | 0 | 113.8 | K1102 A1110 L1142 | K1102-P1106 WeakPolarHBondContact O-CD 3.35Å; P1106-A1110 PolarHBondContact O-N 2.92Å; P1106-A1110 VanDerWaalsContact O-N 3.08Å; P1106-L1142 HydrophobicContact CB-CD2 4.15Å; P1106-L1142 HydrophobicContact CG-CD1 4.44Å; P1106-L1142 HydrophobicContact CG-CD2 3.91Å |
| 1107 | L | 89.8 | Confident | 84.6 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 178 | -61.3 | 173.3 | 0 | 0 | 0 | 110.7 | P1067 L1070 K1071 C1104 L1105 F1109 A1110 F1111 | P1067-L1107 WeakPolarHBondContact O-CD1 3.38Å; L1070-L1107 HydrophobicContact CB-CD1 3.8Å; K1071-L1107 HydrophobicContact CG-CD1 3.89Å; K1071-L1107 HydrophobicContact CG-CD2 4.03Å; C1104-L1107 PolarHBondContact O-N 3.29Å; L1105-L1107 VanDerWaalsContact C-N 3.28Å; L1105-L1107 PolarHBondContact O-N 2.64Å; L1107-F1109 VanDerWaalsContact C-N 3.33Å; L1107-F1109 PolarHBondContact O-N 2.86Å; L1107-A1110 WeakPolarHBondContact O-CB 3.47Å; L1107-A1110 PolarHBondContact O-N 3.22Å; L1107-A1110 VanDerWaalsContact O-N 3.15Å; L1107-F1111 HydrophobicContact CB-CE2 3.84Å; L1107-F1111 HydrophobicContact CB-CZ 4.04Å; L1107-F1111 WeakPolarHBondContact O-CD2 3.49Å; L1107-F1111 WeakPolarHBondContact O-CG 3.47Å; L1107-F1111 PolarHBondContact O-N 2.94Å |
| 1108 | T | 88.3 | Confident | 85 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 178 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | L1082 C1104 L1105 F1111 L1112 A1123 V1126 L1127 | L1082-T1108 HydrophobicContact CD2-CG2 4.48Å; C1104-T1108 PolarHBondContact O-N 3.26Å; C1104-T1108 PolarHBondContact O-OG1 3.09Å; L1105-T1108 PolarHBondContact O-N 3.27Å; T1108-F1111 WeakPolarHBondContact O-CB 3.24Å; T1108-F1111 PolarHBondContact O-N 3.43Å; T1108-F1111 VanDerWaalsContact O-N 3.14Å; T1108-L1112 PolarHBondContact O-N 3.04Å; T1108-A1123 HydrophobicContact CG2-CB 4.24Å; T1108-V1126 HydrophobicContact CG2-CG1 3.45Å; T1108-V1126 VanDerWaalsContact CG2-CG1 3.45Å; T1108-L1127 HydrophobicContact CG2-CD2 4.09Å |
| 1109 | F | 84.6 | Confident | 86.1 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.6 | -81 | -67.9 | 0 | 0 | 0 | 112.7 | L1105 L1107 F1111 L1112 L1127 V1139 L1142 L1143 L1146 | L1105-F1109 HydrophobicContact CD2-CD2 4.33Å; L1105-F1109 HydrophobicContact CD2-CE2 3.69Å; L1105-F1109 WeakPolarHBondContact O-CD2 3.41Å; L1105-F1109 PolarHBondContact O-N 2.69Å; L1107-F1109 VanDerWaalsContact C-N 3.33Å; L1107-F1109 PolarHBondContact O-N 2.86Å; F1109-F1111 PolarHBondContact O-N 3.34Å; F1109-L1112 HydrophobicContact CD1-CD1 3.76Å; F1109-L1112 HydrophobicContact CE1-CD1 4.35Å; F1109-L1112 WeakPolarHBondContact O-CB 3.46Å; F1109-L1112 PolarHBondContact O-N 3.37Å; F1109-L1127 HydrophobicContact CE1-CD2 4.14Å; F1109-L1127 HydrophobicContact CZ-CD2 4.11Å; F1109-V1139 HydrophobicContact CZ-CG1 4.19Å; F1109-L1142 HydrophobicContact CD2-CD2 3.6Å; F1109-L1142 HydrophobicContact CE2-CB 4.13Å; F1109-L1142 HydrophobicContact CE2-CD2 4.01Å; F1109-L1143 HydrophobicContact CE1-CD2 3.66Å; F1109-L1143 HydrophobicContact CE1-CG 4.16Å; F1109-L1143 HydrophobicContact CZ-CD2 3.91Å; F1109-L1143 HydrophobicContact CZ-CG 3.87Å; F1109-L1146 HydrophobicContact CB-CD1 3.92Å; F1109-L1146 HydrophobicContact CB-CD2 4.39Å; F1109-L1146 HydrophobicContact CD1-CD1 3.27Å; F1109-L1146 HydrophobicContact CD2-CD1 4.18Å; F1109-L1146 HydrophobicContact CE1-CD1 3.73Å; F1109-L1146 HydrophobicContact CG-CD1 3.54Å; F1109-L1146 HydrophobicContact CZ-CD1 4.36Å |
| 1110 | A | 85.4 | Confident | 86.8 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | P1106 L1107 L1112 E1113 | P1106-A1110 PolarHBondContact O-N 2.92Å; P1106-A1110 VanDerWaalsContact O-N 3.08Å; L1107-A1110 WeakPolarHBondContact O-CB 3.47Å; L1107-A1110 PolarHBondContact O-N 3.22Å; L1107-A1110 VanDerWaalsContact O-N 3.15Å; A1110-L1112 VanDerWaalsContact C-N 3.32Å; A1110-L1112 PolarHBondContact O-N 3.37Å; A1110-E1113 PolarHBondContact O-N 3.26Å |
| 1111 | F | 93.2 | Very high | 87.1 | Confident | 12 Ų | 12 | 58 Ų | 58 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.3 | -16.1 | 179.1 | -62.2 | -27.9 | 0 | 0 | 0 | 114.8 | L1070 R1078 L1082 L1107 T1108 F1109 E1113 D1114 V1119 R1120 A1123 | L1070-F1111 HydrophobicContact CB-CE2 4.03Å; L1070-F1111 HydrophobicContact CB-CZ 4.38Å; L1070-F1111 HydrophobicContact CD2-CE2 4.08Å; L1070-F1111 HydrophobicContact CG-CE2 4.46Å; L1070-F1111 VanDerWaalsContact O-CZ 3.27Å; L1070-F1111 WeakPolarHBondContact O-CZ 3.09Å; R1078-F1111 HydrophobicContact CG-CE1 4.48Å; R1078-F1111 HydrophobicContact CG-CE2 4.38Å; R1078-F1111 HydrophobicContact CG-CZ 4.14Å; L1082-F1111 HydrophobicContact CD1-CD2 3.98Å; L1082-F1111 HydrophobicContact CD2-CD2 4.46Å; L1107-F1111 HydrophobicContact CB-CE2 3.84Å; L1107-F1111 HydrophobicContact CB-CZ 4.04Å; L1107-F1111 WeakPolarHBondContact O-CD2 3.49Å; L1107-F1111 WeakPolarHBondContact O-CG 3.47Å; L1107-F1111 PolarHBondContact O-N 2.94Å; T1108-F1111 WeakPolarHBondContact O-CB 3.24Å; T1108-F1111 PolarHBondContact O-N 3.43Å; T1108-F1111 VanDerWaalsContact O-N 3.14Å; F1109-F1111 PolarHBondContact O-N 3.34Å; F1111-E1113 PolarHBondContact O-N 3.5Å; F1111-D1114 VanDerWaalsContact O-CB 3.3Å; F1111-D1114 WeakPolarHBondContact O-CB 3.32Å; F1111-D1114 PolarHBondContact O-N 3.25Å; F1111-V1119 HydrophobicContact CB-CG1 3.8Å; F1111-V1119 HydrophobicContact CD1-CG1 4.34Å; F1111-V1119 HydrophobicContact CG-CG1 4.03Å; F1111-R1120 WeakPolarHBondContact O-CA 3.3Å; F1111-R1120 WeakPolarHBondContact O-CG 3.47Å; F1111-A1123 HydrophobicContact CB-CB 3.71Å |
| 1112 | L | 85.1 | Confident | 87.5 | Confident | 47 Ų | 47 | 59.9 Ų | 59.9 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.9 | 168.1 | -62.2 | 173.6 | 0 | 0 | 0 | 111.9 | T1108 F1109 A1110 R1120 A1123 Q1124 L1127 | T1108-L1112 PolarHBondContact O-N 3.04Å; F1109-L1112 HydrophobicContact CD1-CD1 3.76Å; F1109-L1112 HydrophobicContact CE1-CD1 4.35Å; F1109-L1112 WeakPolarHBondContact O-CB 3.46Å; F1109-L1112 PolarHBondContact O-N 3.37Å; A1110-L1112 VanDerWaalsContact C-N 3.32Å; A1110-L1112 PolarHBondContact O-N 3.37Å; L1112-R1120 WeakPolarHBondContact O-CD 3.13Å; L1112-R1120 WeakPolarHBondContact O-CG 3.27Å; L1112-A1123 HydrophobicContact CD2-CB 3.93Å; L1112-A1123 HydrophobicContact CG-CB 4.44Å; L1112-Q1124 HydrophobicContact CD2-CB 4.3Å; L1112-Q1124 HydrophobicContact CD2-CG 3.46Å; L1112-Q1124 VanDerWaalsContact CD2-CG 3.46Å; L1112-L1127 HydrophobicContact CD1-CD1 4.14Å; L1112-L1127 HydrophobicContact CD2-CD1 4.16Å |
| 1113 | E | 80.2 | Confident | 88 | Confident | 144 Ų | 144 | 55.8 Ų | 55.8 | 67% | 0.673 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 8.4 | 175.3 | -59.5 | -174.2 | 174.4 | 0 | 0 | 113 | A1110 F1111 | A1110-E1113 PolarHBondContact O-N 3.26Å; F1111-E1113 PolarHBondContact O-N 3.5Å |
| 1114 | D | 91.7 | Very high | 88.2 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | trans | -60 | 146.2 | -180 | -162.9 | -67.6 | 0 | 0 | 0 | 110.5 | R1078 F1111 N1116 V1119 R1120 | R1078-D1114 IonicContact NH1-OD2 3.61Å; R1078-D1114 PolarHBondContact NH1-OD2 2.94Å; F1111-D1114 VanDerWaalsContact O-CB 3.3Å; F1111-D1114 WeakPolarHBondContact O-CB 3.32Å; F1111-D1114 PolarHBondContact O-N 3.25Å; D1114-N1116 PolarHBondContact O-N 3.01Å; D1114-N1116 WeakPolarHBondContact OD1-CB 3.44Å; D1114-N1116 PolarHBondContact OD1-N 3.36Å; D1114-V1119 HydrophobicContact CB-CB 4Å; D1114-V1119 HydrophobicContact CB-CG1 3.6Å; D1114-R1120 HydrophobicContact CB-CG 4.28Å; D1114-R1120 WeakPolarHBondContact O-CD 3.31Å; D1114-R1120 WeakPolarHBondContact O-CG 3.37Å; D1114-R1120 PolarHBondContact O-NH1 3.33Å | ||
| 1115 | R | 83 | Confident | 88.1 | Confident | 240 Ų | 240 | 59.8 Ų | 59.8 | 91% | 0.906 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -66.3 | -28.8 | 178.3 | -65.6 | -178.2 | 178.4 | -177.9 | 0.2 | 111.8 | R1120 | R1115-R1120 VanDerWaalsContact C-NH1 3.29Å; R1115-R1120 PolarHBondContact O-NH1 2.82Å |
| 1116 | N | 89.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 59.7 Ų | 59.7 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -79.9 | 123 | 178.8 | -172.3 | -51.2 | 0 | 0 | 0 | 111.1 | P1075 D1114 D1118 V1119 R1120 | P1075-N1116 HydrophobicContact CB-CB 4.08Å; D1114-N1116 PolarHBondContact O-N 3.01Å; D1114-N1116 WeakPolarHBondContact OD1-CB 3.44Å; D1114-N1116 PolarHBondContact OD1-N 3.36Å; N1116-D1118 VanDerWaalsContact C-N 3.33Å; N1116-D1118 PolarHBondContact O-N 2.97Å; N1116-D1118 PolarHBondContact OD1-N 3.37Å; N1116-V1119 HydrophobicContact CB-CB 4.15Å; N1116-V1119 HydrophobicContact CB-CG2 3.81Å; N1116-V1119 PolarHBondContact O-N 3.48Å; N1116-V1119 PolarHBondContact OD1-N 2.97Å; N1116-R1120 PolarHBondContact O-N 2.91Å; N1116-R1120 VanDerWaalsContact O-N 3.17Å |
| 1117 | P | 82.6 | Confident | 88.4 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.7 | -31.4 | -177.8 | 27 | -34.8 | 0 | 0 | 0 | 114.2 | R1120 R1121 | P1117-R1120 PolarHBondContact O-N 3.38Å; P1117-R1121 WeakPolarHBondContact O-CB 3.19Å; P1117-R1121 PolarHBondContact O-N 2.99Å |
| 1118 | D | 87.8 | Confident | 88.1 | Confident | 67 Ų | 67 | 62 Ų | 62 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.2 | -36.8 | -179.2 | -59.9 | -52 | 0 | 0 | 0 | 110.8 | T1079 N1116 R1121 Q1122 | T1079-D1118 HydrophobicContact CG2-CB 3.92Å; N1116-D1118 VanDerWaalsContact C-N 3.33Å; N1116-D1118 PolarHBondContact O-N 2.97Å; N1116-D1118 PolarHBondContact OD1-N 3.37Å; D1118-R1121 PolarHBondContact O-N 2.82Å; D1118-R1121 IonicContact OD1-CZ 3.68Å; D1118-R1121 IonicContact OD1-NH1 3.51Å; D1118-R1121 PolarHBondContact OD1-NH1 3.34Å; D1118-R1121 IonicContact OD1-NH2 2.94Å; D1118-Q1122 WeakPolarHBondContact O-CB 3.34Å; D1118-Q1122 PolarHBondContact O-N 3.12Å |
| 1119 | V | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | P1075 R1078 T1079 L1082 F1111 D1114 N1116 R1121 Q1122 A1123 | P1075-V1119 HydrophobicContact CB-CG2 3.92Å; P1075-V1119 VanDerWaalsContact O-CG2 3.3Å; P1075-V1119 WeakPolarHBondContact O-CG2 3.3Å; R1078-V1119 HydrophobicContact CB-CG1 4.24Å; R1078-V1119 HydrophobicContact CB-CG2 4.13Å; T1079-V1119 VanDerWaalsContact OG1-CG2 3.26Å; T1079-V1119 WeakPolarHBondContact OG1-CG2 3.36Å; L1082-V1119 HydrophobicContact CD1-CG1 4.38Å; F1111-V1119 HydrophobicContact CB-CG1 3.8Å; F1111-V1119 HydrophobicContact CD1-CG1 4.34Å; F1111-V1119 HydrophobicContact CG-CG1 4.03Å; D1114-V1119 HydrophobicContact CB-CB 4Å; D1114-V1119 HydrophobicContact CB-CG1 3.6Å; N1116-V1119 HydrophobicContact CB-CB 4.15Å; N1116-V1119 HydrophobicContact CB-CG2 3.81Å; N1116-V1119 PolarHBondContact O-N 3.48Å; N1116-V1119 PolarHBondContact OD1-N 2.97Å; V1119-R1121 PolarHBondContact O-N 3.03Å; V1119-Q1122 PolarHBondContact O-N 3.06Å; V1119-A1123 VanDerWaalsContact O-CB 3.23Å; V1119-A1123 WeakPolarHBondContact O-CB 3.39Å; V1119-A1123 PolarHBondContact O-N 3.43Å |
| 1120 | R | 93.4 | Very high | 87.7 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.2 | -66.4 | -165.7 | -59.4 | -84.3 | 3.3 | 112.3 | F1111 L1112 D1114 R1115 N1116 P1117 Q1122 A1123 Q1124 | F1111-R1120 WeakPolarHBondContact O-CA 3.3Å; F1111-R1120 WeakPolarHBondContact O-CG 3.47Å; L1112-R1120 WeakPolarHBondContact O-CD 3.13Å; L1112-R1120 WeakPolarHBondContact O-CG 3.27Å; D1114-R1120 HydrophobicContact CB-CG 4.28Å; D1114-R1120 WeakPolarHBondContact O-CD 3.31Å; D1114-R1120 WeakPolarHBondContact O-CG 3.37Å; D1114-R1120 PolarHBondContact O-NH1 3.33Å; R1115-R1120 VanDerWaalsContact C-NH1 3.29Å; R1115-R1120 PolarHBondContact O-NH1 2.82Å; N1116-R1120 PolarHBondContact O-N 2.91Å; N1116-R1120 VanDerWaalsContact O-N 3.17Å; P1117-R1120 PolarHBondContact O-N 3.38Å; R1120-Q1122 VanDerWaalsContact C-N 3.35Å; R1120-Q1122 PolarHBondContact O-N 3.26Å; R1120-A1123 PolarHBondContact O-N 3.28Å; R1120-Q1124 WeakPolarHBondContact O-CG 3.28Å; R1120-Q1124 PolarHBondContact O-N 3.11Å |
| 1121 | R | 90.1 | Very high | 87.2 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 58% | 0.581 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 179 | -171.6 | -169.8 | -64.1 | 127.3 | 4.4 | 110.8 | P1117 D1118 V1119 Q1124 S1125 | P1117-R1121 WeakPolarHBondContact O-CB 3.19Å; P1117-R1121 PolarHBondContact O-N 2.99Å; D1118-R1121 PolarHBondContact O-N 2.82Å; D1118-R1121 IonicContact OD1-CZ 3.68Å; D1118-R1121 IonicContact OD1-NH1 3.51Å; D1118-R1121 PolarHBondContact OD1-NH1 3.34Å; D1118-R1121 IonicContact OD1-NH2 2.94Å; V1119-R1121 PolarHBondContact O-N 3.03Å; R1121-Q1124 WeakPolarHBondContact O-CB 3.28Å; R1121-Q1124 PolarHBondContact O-N 3.15Å; R1121-S1125 PolarHBondContact O-N 2.97Å |
| 1122 | Q | 93.7 | Very high | 86.4 | Confident | 38 Ų | 38 | 68 Ų | 68 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.8 | -31.7 | -177.9 | -149.2 | 63.6 | 31.6 | 0 | 0 | 113.1 | L1082 S1083 D1118 V1119 R1120 Q1124 S1125 V1126 | L1082-Q1122 HydrophobicContact CB-CB 3.85Å; L1082-Q1122 HydrophobicContact CB-CG 3.56Å; L1082-Q1122 HydrophobicContact CD1-CB 4.35Å; S1083-Q1122 VanDerWaalsContact N-CG 3.25Å; S1083-Q1122 PolarHBondContact OG-NE2 2.99Å; D1118-Q1122 WeakPolarHBondContact O-CB 3.34Å; D1118-Q1122 PolarHBondContact O-N 3.12Å; V1119-Q1122 PolarHBondContact O-N 3.06Å; R1120-Q1122 VanDerWaalsContact C-N 3.35Å; R1120-Q1122 PolarHBondContact O-N 3.26Å; Q1122-Q1124 VanDerWaalsContact C-N 3.28Å; Q1122-Q1124 PolarHBondContact O-N 3.38Å; Q1122-S1125 VanDerWaalsContact CA-OG 3.31Å; Q1122-S1125 WeakPolarHBondContact CA-OG 3.19Å; Q1122-S1125 PolarHBondContact NE2-OG 3.26Å; Q1122-S1125 PolarHBondContact O-N 3.21Å; Q1122-S1125 PolarHBondContact O-OG 2.78Å; Q1122-V1126 PolarHBondContact O-N 3.12Å; Q1122-V1126 VanDerWaalsContact O-N 3.16Å |
| 1123 | A | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -37 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1082 T1108 F1111 L1112 V1119 R1120 L1127 | L1082-A1123 HydrophobicContact CD1-CB 4.16Å; T1108-A1123 HydrophobicContact CG2-CB 4.24Å; F1111-A1123 HydrophobicContact CB-CB 3.71Å; L1112-A1123 HydrophobicContact CD2-CB 3.93Å; L1112-A1123 HydrophobicContact CG-CB 4.44Å; V1119-A1123 VanDerWaalsContact O-CB 3.23Å; V1119-A1123 WeakPolarHBondContact O-CB 3.39Å; V1119-A1123 PolarHBondContact O-N 3.43Å; R1120-A1123 PolarHBondContact O-N 3.28Å; A1123-L1127 WeakPolarHBondContact O-CG 3.48Å |
| 1124 | Q | 89.5 | Confident | 85.2 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 173.3 | -74.5 | 176.4 | -19.8 | 0 | 0 | 112.3 | L1112 R1120 R1121 Q1122 V1126 L1127 | L1112-Q1124 HydrophobicContact CD2-CB 4.3Å; L1112-Q1124 HydrophobicContact CD2-CG 3.46Å; L1112-Q1124 VanDerWaalsContact CD2-CG 3.46Å; R1120-Q1124 WeakPolarHBondContact O-CG 3.28Å; R1120-Q1124 PolarHBondContact O-N 3.11Å; R1121-Q1124 WeakPolarHBondContact O-CB 3.28Å; R1121-Q1124 PolarHBondContact O-N 3.15Å; Q1122-Q1124 VanDerWaalsContact C-N 3.28Å; Q1122-Q1124 PolarHBondContact O-N 3.38Å; Q1124-V1126 VanDerWaalsContact C-N 3.31Å; Q1124-V1126 PolarHBondContact O-N 3.3Å; Q1124-L1127 PolarHBondContact O-N 2.9Å |
| 1125 | S | 86.7 | Confident | 83.8 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | -177 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | R1121 Q1122 L1127 P1129 | R1121-S1125 PolarHBondContact O-N 2.97Å; Q1122-S1125 VanDerWaalsContact CA-OG 3.31Å; Q1122-S1125 WeakPolarHBondContact CA-OG 3.19Å; Q1122-S1125 PolarHBondContact NE2-OG 3.26Å; Q1122-S1125 PolarHBondContact O-N 3.21Å; Q1122-S1125 PolarHBondContact O-OG 2.78Å; S1125-L1127 VanDerWaalsContact C-N 3.31Å; S1125-L1127 PolarHBondContact O-N 3.47Å; S1125-P1129 VanDerWaalsContact O-CD 3.27Å; S1125-P1129 WeakPolarHBondContact O-CD 3.37Å |
| 1126 | V | 89.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -77 | -16.8 | -175.1 | 82.9 | 0 | 0 | 0 | 0 | 113 | L1082 L1085 T1108 Q1122 Q1124 L1128 P1129 F1130 | L1082-V1126 HydrophobicContact CD2-CG1 3.97Å; L1085-V1126 HydrophobicContact CB-CG2 4.37Å; L1085-V1126 HydrophobicContact CD2-CG2 4.45Å; L1085-V1126 HydrophobicContact CG-CG2 4.19Å; T1108-V1126 HydrophobicContact CG2-CG1 3.45Å; T1108-V1126 VanDerWaalsContact CG2-CG1 3.45Å; Q1122-V1126 PolarHBondContact O-N 3.12Å; Q1122-V1126 VanDerWaalsContact O-N 3.16Å; Q1124-V1126 VanDerWaalsContact C-N 3.31Å; Q1124-V1126 PolarHBondContact O-N 3.3Å; V1126-L1128 PolarHBondContact O-N 3.48Å; V1126-P1129 VanDerWaalsContact O-CD 3.3Å; V1126-P1129 WeakPolarHBondContact O-CD 3.31Å; V1126-F1130 HydrophobicContact CB-CD2 4.24Å; V1126-F1130 HydrophobicContact CB-CE2 4.47Å; V1126-F1130 HydrophobicContact CG1-CD2 3.88Å; V1126-F1130 HydrophobicContact CG1-CE2 4.04Å; V1126-F1130 HydrophobicContact CG2-CD2 3.62Å; V1126-F1130 HydrophobicContact CG2-CE2 3.64Å; V1126-F1130 WeakPolarHBondContact O-CD2 3.22Å; V1126-F1130 PolarHBondContact O-N 2.93Å |
| 1127 | L | 85.8 | Confident | 81.7 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | -175 | -76.1 | 170.6 | 0 | 0 | 0 | 113.3 | T1108 F1109 L1112 A1123 Q1124 S1125 F1130 M1131 | T1108-L1127 HydrophobicContact CG2-CD2 4.09Å; F1109-L1127 HydrophobicContact CE1-CD2 4.14Å; F1109-L1127 HydrophobicContact CZ-CD2 4.11Å; L1112-L1127 HydrophobicContact CD1-CD1 4.14Å; L1112-L1127 HydrophobicContact CD2-CD1 4.16Å; A1123-L1127 WeakPolarHBondContact O-CG 3.48Å; Q1124-L1127 PolarHBondContact O-N 2.9Å; S1125-L1127 VanDerWaalsContact C-N 3.31Å; S1125-L1127 PolarHBondContact O-N 3.47Å; L1127-F1130 WeakPolarHBondContact O-CB 3.43Å; L1127-F1130 PolarHBondContact O-N 3.45Å; L1127-M1131 VanDerWaalsContact O-CG 3.3Å; L1127-M1131 WeakPolarHBondContact O-CG 3.19Å; L1127-M1131 PolarHBondContact O-N 3.38Å |
| 1128 | L | 82.8 | Confident | 80.7 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.1 | -47.9 | -179.7 | 177.5 | 69.9 | 0 | 0 | 0 | 111.5 | V1126 F1130 M1131 N1132 | V1126-L1128 PolarHBondContact O-N 3.48Å; L1128-F1130 VanDerWaalsContact C-N 3.3Å; L1128-F1130 PolarHBondContact O-N 3.3Å; L1128-M1131 WeakPolarHBondContact O-CB 3.27Å; L1128-M1131 PolarHBondContact O-N 3.07Å; L1128-M1131 VanDerWaalsContact O-N 3.12Å; L1128-N1132 PolarHBondContact O-N 3.36Å |
| 1129 | P | 83.5 | Confident | 79.5 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -52.7 | -44.3 | 168.7 | -30.4 | 36.2 | 0 | 0 | 0 | 113.5 | I1089 E1090 S1125 V1126 M1131 N1132 A1133 | I1089-P1129 HydrophobicContact CB-CB 4Å; I1089-P1129 HydrophobicContact CG2-CB 3.67Å; I1089-P1129 WeakPolarHBondContact CG2-O 3.39Å; E1090-P1129 HydrophobicContact CG-CB 4.17Å; E1090-P1129 HydrophobicContact CG-CG 3.69Å; E1090-P1129 WeakPolarHBondContact OE1-CG 3.49Å; S1125-P1129 VanDerWaalsContact O-CD 3.27Å; S1125-P1129 WeakPolarHBondContact O-CD 3.37Å; V1126-P1129 VanDerWaalsContact O-CD 3.3Å; V1126-P1129 WeakPolarHBondContact O-CD 3.31Å; P1129-M1131 VanDerWaalsContact C-N 3.35Å; P1129-M1131 PolarHBondContact O-N 3.31Å; P1129-N1132 PolarHBondContact O-N 2.92Å; P1129-A1133 WeakPolarHBondContact O-CB 3.3Å; P1129-A1133 PolarHBondContact O-N 3.02Å |
| 1130 | F | 81.7 | Confident | 78 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.5 | -99.4 | -82.7 | 0 | 0 | 0 | 113.3 | L1085 I1089 L1101 C1104 L1105 V1126 L1127 L1128 N1132 A1133 S1134 | L1085-F1130 HydrophobicContact CD2-CE2 3.52Å; L1085-F1130 HydrophobicContact CD2-CZ 3.61Å; L1085-F1130 HydrophobicContact CG-CE2 4.05Å; L1085-F1130 HydrophobicContact CG-CZ 4.33Å; I1089-F1130 HydrophobicContact CD1-CD2 4.33Å; I1089-F1130 HydrophobicContact CD1-CE2 4.24Å; L1101-F1130 HydrophobicContact CB-CD1 4.39Å; L1101-F1130 HydrophobicContact CB-CE1 3.98Å; L1101-F1130 HydrophobicContact CD2-CD1 4.16Å; L1101-F1130 HydrophobicContact CD2-CE1 3.56Å; L1101-F1130 HydrophobicContact CD2-CZ 3.98Å; L1101-F1130 HydrophobicContact CG-CE1 4.38Å; L1101-F1130 VanDerWaalsContact O-CE1 3.29Å; L1101-F1130 WeakPolarHBondContact O-CE1 3.33Å; C1104-F1130 HydrophobicContact CB-CE1 3.69Å; C1104-F1130 HydrophobicContact CB-CE2 4.47Å; C1104-F1130 HydrophobicContact CB-CZ 3.37Å; L1105-F1130 HydrophobicContact CD1-CD1 4.35Å; L1105-F1130 HydrophobicContact CG-CD1 3.96Å; L1105-F1130 HydrophobicContact CG-CE1 4.44Å; V1126-F1130 HydrophobicContact CB-CD2 4.24Å; V1126-F1130 HydrophobicContact CB-CE2 4.47Å; V1126-F1130 HydrophobicContact CG1-CD2 3.88Å; V1126-F1130 HydrophobicContact CG1-CE2 4.04Å; V1126-F1130 HydrophobicContact CG2-CD2 3.62Å; V1126-F1130 HydrophobicContact CG2-CE2 3.64Å; V1126-F1130 WeakPolarHBondContact O-CD2 3.22Å; V1126-F1130 PolarHBondContact O-N 2.93Å; L1127-F1130 WeakPolarHBondContact O-CB 3.43Å; L1127-F1130 PolarHBondContact O-N 3.45Å; L1128-F1130 VanDerWaalsContact C-N 3.3Å; L1128-F1130 PolarHBondContact O-N 3.3Å; F1130-N1132 VanDerWaalsContact C-N 3.31Å; F1130-A1133 PolarHBondContact O-N 3.14Å; F1130-S1134 WeakPolarHBondContact O-CB 2.91Å; F1130-S1134 PolarHBondContact O-N 3.43Å |
| 1131 | M | 75.2 | Confident | 76.6 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.6 | -31.7 | 178 | -77.1 | 177.2 | 66 | 0 | 0 | 112.8 | L1127 L1128 P1129 V1139 | L1127-M1131 VanDerWaalsContact O-CG 3.3Å; L1127-M1131 WeakPolarHBondContact O-CG 3.19Å; L1127-M1131 PolarHBondContact O-N 3.38Å; L1128-M1131 WeakPolarHBondContact O-CB 3.27Å; L1128-M1131 PolarHBondContact O-N 3.07Å; L1128-M1131 VanDerWaalsContact O-N 3.12Å; P1129-M1131 VanDerWaalsContact C-N 3.35Å; P1129-M1131 PolarHBondContact O-N 3.31Å; M1131-V1139 HydrophobicContact CG-CB 4.1Å; M1131-V1139 HydrophobicContact CG-CG1 3.76Å; M1131-V1139 HydrophobicContact CG-CG2 3.82Å; M1131-V1139 HydrophobicContact SD-CG1 4.2Å |
| 1132 | N | 76.9 | Confident | 75.1 | Confident | 127 Ų | 127 | 54.8 Ų | 54.8 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.5 | -35.8 | 177.1 | -67.4 | -15.4 | 0 | 0 | 0 | 111.4 | L1128 P1129 F1130 | L1128-N1132 PolarHBondContact O-N 3.36Å; P1129-N1132 PolarHBondContact O-N 2.92Å; F1130-N1132 VanDerWaalsContact C-N 3.31Å |
| 1133 | A | 75.7 | Confident | 73.3 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -83.5 | -35.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1089 L1096 L1101 P1129 F1130 | I1089-A1133 HydrophobicContact CG2-CB 3.64Å; L1096-A1133 HydrophobicContact CD1-CB 4.03Å; L1101-A1133 HydrophobicContact CD1-CB 3.99Å; P1129-A1133 WeakPolarHBondContact O-CB 3.3Å; P1129-A1133 PolarHBondContact O-N 3.02Å; F1130-A1133 PolarHBondContact O-N 3.14Å |
| 1134 | S | 64.3 | Low | 71.7 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -104.4 | 145.2 | 174.8 | -165.3 | 0 | 0 | 0 | 0 | 110.5 | D1098 F1130 A1136 N1138 | D1098-S1134 PolarHBondContact OD1-OG 3.33Å; F1130-S1134 WeakPolarHBondContact O-CB 2.91Å; F1130-S1134 PolarHBondContact O-N 3.43Å; S1134-A1136 PolarHBondContact O-N 3.26Å; S1134-A1136 VanDerWaalsContact O-N 3.17Å; S1134-N1138 PolarHBondContact OG-ND2 2.55Å; S1134-N1138 VanDerWaalsContact OG-ND2 3.09Å |
| 1135 | S | 61.3 | Low | 69.9 | Low | 58 Ų | 58 | 63.6 Ų | 63.6 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | trans | -51.8 | 127.2 | -178.9 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | K1137 N1138 | S1135-K1137 PolarHBondContact O-N 3.27Å; S1135-N1138 PolarHBondContact O-N 3.02Å; S1135-N1138 PolarHBondContact OG-ND2 3.14Å | ||
| 1136 | A | 61.3 | Low | 67.7 | Low | 54 Ų | 54 | 64.5 Ų | 64.5 | 45% | 0.446 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -50.5 | -21.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1134 K1140 | S1134-A1136 PolarHBondContact O-N 3.26Å; S1134-A1136 VanDerWaalsContact O-N 3.17Å; A1136-K1140 WeakPolarHBondContact O-CG 3.49Å; A1136-K1140 PolarHBondContact O-N 2.91Å; A1136-K1140 VanDerWaalsContact O-N 3.12Å |
| 1137 | K | 66.6 | Low | 65.2 | Low | 143 Ų | 143 | 75.1 Ų | 75.1 | 62% | 0.622 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.7 | -44.7 | 172.2 | -168 | 178.6 | 178.7 | -178.4 | 0 | 112.9 | S1135 K1140 E1141 | S1135-K1137 PolarHBondContact O-N 3.27Å; K1137-K1140 PolarHBondContact O-N 2.72Å; K1137-E1141 PolarHBondContact O-N 2.99Å |
| 1138 | N | 62.9 | Low | 62.9 | Low | 32 Ų | 32 | 79.4 Ų | 79.4 | 17% | 0.171 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.5 | -39.6 | -177.9 | -60.1 | -35.7 | 0 | 0 | 0 | 111.7 | K1102 S1134 S1135 E1141 L1142 | K1102-N1138 WeakPolarHBondContact CE-ND2 3.42Å; S1134-N1138 PolarHBondContact OG-ND2 2.55Å; S1134-N1138 VanDerWaalsContact OG-ND2 3.09Å; S1135-N1138 PolarHBondContact O-N 3.02Å; S1135-N1138 PolarHBondContact OG-ND2 3.14Å; N1138-E1141 PolarHBondContact O-N 3.37Å; N1138-L1142 PolarHBondContact O-N 3.47Å |
| 1139 | V | 61.8 | Low | 60.4 | Low | 4 Ų | 4 | 80.4 Ų | 80.4 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | L1105 F1109 M1131 L1142 L1143 | L1105-V1139 HydrophobicContact CD1-CG2 4.21Å; L1105-V1139 HydrophobicContact CD2-CG2 3.89Å; F1109-V1139 HydrophobicContact CZ-CG1 4.19Å; M1131-V1139 HydrophobicContact CG-CB 4.1Å; M1131-V1139 HydrophobicContact CG-CG1 3.76Å; M1131-V1139 HydrophobicContact CG-CG2 3.82Å; M1131-V1139 HydrophobicContact SD-CG1 4.2Å; V1139-L1142 PolarHBondContact O-N 3.46Å; V1139-L1143 HydrophobicContact CG1-CD1 3.93Å; V1139-L1143 HydrophobicContact CG1-CG 4.41Å; V1139-L1143 WeakPolarHBondContact O-CB 3.2Å; V1139-L1143 WeakPolarHBondContact O-CG 3.11Å; V1139-L1143 PolarHBondContact O-N 2.75Å |
| 1140 | K | 62.9 | Low | 58.1 | Low | 115 Ų | 115 | 83.6 Ų | 83.6 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 173.5 | -78.3 | -176.2 | 177.2 | -176.6 | 0 | 112.9 | A1136 K1137 L1142 L1143 A1144 | A1136-K1140 WeakPolarHBondContact O-CG 3.49Å; A1136-K1140 PolarHBondContact O-N 2.91Å; A1136-K1140 VanDerWaalsContact O-N 3.12Å; K1137-K1140 PolarHBondContact O-N 2.72Å; K1140-L1142 VanDerWaalsContact C-N 3.31Å; K1140-L1142 PolarHBondContact O-N 3.26Å; K1140-L1143 PolarHBondContact O-N 2.89Å; K1140-A1144 PolarHBondContact O-N 2.58Å; K1140-A1144 VanDerWaalsContact O-N 3.16Å |
| 1141 | E | 64.9 | Low | 55.7 | Low | 115 Ų | 115 | 89 Ų | 89 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 178.8 | -82.2 | -178.9 | -169.8 | 0 | 0 | 113 | K1137 N1138 | K1137-E1141 PolarHBondContact O-N 2.99Å; N1138-E1141 PolarHBondContact O-N 3.37Å |
| 1142 | L | 57.3 | Low | 53.4 | Low | 47 Ų | 47 | 91.1 Ų | 91.1 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -76.9 | -39.7 | 176.7 | -120.1 | 101.6 | 0 | 0 | 0 | 112.7 | L1105 P1106 F1109 N1138 V1139 K1140 A1144 K1145 | L1105-L1142 HydrophobicContact CB-CD2 4.49Å; P1106-L1142 HydrophobicContact CB-CD2 4.15Å; P1106-L1142 HydrophobicContact CG-CD1 4.44Å; P1106-L1142 HydrophobicContact CG-CD2 3.91Å; F1109-L1142 HydrophobicContact CD2-CD2 3.6Å; F1109-L1142 HydrophobicContact CE2-CB 4.13Å; F1109-L1142 HydrophobicContact CE2-CD2 4.01Å; N1138-L1142 PolarHBondContact O-N 3.47Å; V1139-L1142 PolarHBondContact O-N 3.46Å; K1140-L1142 VanDerWaalsContact C-N 3.31Å; K1140-L1142 PolarHBondContact O-N 3.26Å; L1142-A1144 PolarHBondContact O-N 2.77Å; L1142-K1145 PolarHBondContact O-N 3.41Å |
| 1143 | L | 56.1 | Low | 51.2 | Low | 68 Ų | 68 | 90.9 Ų | 90.9 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56.8 | -37.1 | 174.5 | -83 | 165.5 | 0 | 0 | 0 | 111.7 | F1109 V1139 K1140 K1145 L1146 | F1109-L1143 HydrophobicContact CE1-CD2 3.66Å; F1109-L1143 HydrophobicContact CE1-CG 4.16Å; F1109-L1143 HydrophobicContact CZ-CD2 3.91Å; F1109-L1143 HydrophobicContact CZ-CG 3.87Å; V1139-L1143 HydrophobicContact CG1-CD1 3.93Å; V1139-L1143 HydrophobicContact CG1-CG 4.41Å; V1139-L1143 WeakPolarHBondContact O-CB 3.2Å; V1139-L1143 WeakPolarHBondContact O-CG 3.11Å; V1139-L1143 PolarHBondContact O-N 2.75Å; K1140-L1143 PolarHBondContact O-N 2.89Å; L1143-K1145 PolarHBondContact O-N 3.46Å; L1143-K1145 VanDerWaalsContact O-N 3.13Å; L1143-L1146 PolarHBondContact O-N 2.93Å |
| 1144 | A | 58 | Low | 48.8 | Very low | 88 Ų | 88 | 97.3 Ų | 97.3 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1140 L1142 | K1140-A1144 PolarHBondContact O-N 2.58Å; K1140-A1144 VanDerWaalsContact O-N 3.16Å; L1142-A1144 PolarHBondContact O-N 2.77Å |
| 1145 | K | 52.7 | Low | 47.3 | Very low | 181 Ų | 181 | 101.7 Ų | 101.7 | 79% | 0.787 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -7.3 | 179.4 | -66.3 | 179.4 | -178.5 | 172.9 | 0 | 113.9 | L1142 L1143 | L1142-K1145 PolarHBondContact O-N 3.41Å; L1143-K1145 PolarHBondContact O-N 3.46Å; L1143-K1145 VanDerWaalsContact O-N 3.13Å |
| 1146 | L | 39.6 | Very low | 45.9 | Very low | 67 Ų | 67 | 104.1 Ų | 104.1 | 35% | 0.351 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -86.3 | 142.7 | -179.9 | -82.9 | 141.5 | 0 | 0 | 0 | 111.4 | F1109 L1143 | F1109-L1146 HydrophobicContact CB-CD1 3.92Å; F1109-L1146 HydrophobicContact CB-CD2 4.39Å; F1109-L1146 HydrophobicContact CD1-CD1 3.27Å; F1109-L1146 HydrophobicContact CD2-CD1 4.18Å; F1109-L1146 HydrophobicContact CE1-CD1 3.73Å; F1109-L1146 HydrophobicContact CG-CD1 3.54Å; F1109-L1146 HydrophobicContact CZ-CD1 4.36Å; L1143-L1146 PolarHBondContact O-N 2.93Å |
| 1147 | R | 38 | Very low | 44.1 | Very low | 223 Ų | 223 | 110.4 Ų | 110.4 | 84% | 0.842 | 59% | 0.592 | S | S | * | * | trans | -66.7 | 144.8 | -177.9 | -66.9 | -178.7 | -153.5 | 165.3 | 8.8 | 110.4 | N1149 | R1147-N1149 PolarHBondContact O-N 3.2Š| ||
| 1148 | P | 37.4 | Very low | 42.2 | Very low | 126 Ų | 126 | 113 Ų | 113 | 82% | 0.818 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -70.6 | 1 | -163 | -18.7 | 32.8 | 0 | 0 | 0 | 117.2 | A1150 | P1148-A1150 PolarHBondContact O-N 3.39Š|
| 1149 | N | 31.5 | Very low | 40.2 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 70% | 0.695 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -93.6 | 25.9 | -171.1 | -74 | 13.7 | 0 | 0 | 0 | 114.6 | R1147 | R1147-N1149 PolarHBondContact O-N 3.2Š|
| 1150 | A | 33.5 | Very low | 38.5 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 58% | 0.579 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -143.3 | 96.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1148 | P1148-A1150 PolarHBondContact O-N 3.39Š|
| 1151 | V | 32.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | trans | 74.8 | 124.5 | 161 | -167.8 | 0 | 0 | 0 | 0 | 116.6 | I1153 | V1151-I1153 PolarHBondContact O-N 2.74Š| ||
| 1152 | P | 26.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -80.1 | 117.9 | -176.9 | 31.6 | -31 | 0 | 0 | 0 | 111.1 | ||||
| 1153 | I | 30.6 | Very low | 33.5 | Very low | 121 Ų | 121 | 136 Ų | 136 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | trans | -129.2 | 109.3 | 164.9 | -59 | 177.7 | 0 | 0 | 0 | 106.4 | V1151 P1155 | V1151-I1153 PolarHBondContact O-N 2.74Å; I1153-P1155 WeakPolarHBondContact O-CD 3.4Å | ||
| 1154 | N | 25 | Very low | 31.9 | Very low | 162 Ų | 162 | 139.4 Ų | 139.4 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | -67 | 116.6 | -178.4 | -77.5 | -29 | 0 | 0 | 0 | 111.8 | ||||
| 1155 | P | 31.7 | Very low | 30.1 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | trans | -108 | 147.7 | 170.4 | 19.7 | 1.6 | 0 | 0 | 0 | 111.9 | I1153 | I1153-P1155 WeakPolarHBondContact O-CD 3.4Š| ||
| 1156 | P | 32.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -80.3 | 141 | 171 | -0.2 | 18.3 | 0 | 0 | 0 | 111.5 | ||||
| 1157 | E | 24.3 | Very low | 27.9 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -62.2 | 140.8 | -176.5 | -59.4 | 169.2 | 151.2 | 0 | 0 | 114 | ||||
| 1158 | Q | 26.1 | Very low | 27.2 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | -175.7 | 145.1 | 125.2 | -100.1 | 174 | 18.9 | 0 | 0 | 112.9 | |||||
| 1159 | E | 21.6 | Very low | 26.4 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -80.2 | 151.9 | -161.7 | -51.9 | 168.7 | 131.7 | 0 | 0 | 115.1 | ||||
| 1160 | K | 25.1 | Very low | 25.9 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | 164.9 | 107.7 | 121.5 | -89.5 | 166.4 | -177.3 | 174.3 | 0 | 113.9 | |||||
| 1161 | K | 20.5 | Very low | 25.3 | Very low | 194 Ų | 194 | 141.8 Ų | 141.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | 58.8 | 127.6 | 116 | -97.2 | -179.2 | -173.9 | 179.1 | 0 | 122.8 | |||||
| 1162 | V | 24.7 | Very low | 24.8 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 89.3 | 158 | 143.7 | -108.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1163 | P | 36 | Very low | 24.5 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -128.2 | 164 | -119.3 | 40.9 | -20.1 | 0 | 0 | 0 | 115.5 | |||||
| 1164 | C | 22.3 | Very low | 24.1 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -124.8 | 124.3 | 168.4 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1165 | R | 20.7 | Very low | 24.1 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -94.2 | 151.3 | 169.5 | -99.4 | -179.3 | 169.8 | 178.5 | -4.1 | 110.6 | ||||
| 1166 | S | 23.1 | Very low | 23.6 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | trans | -28.9 | 148.7 | 164.7 | 55.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1167 | D | 22.5 | Very low | 23.1 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | 169 | 112.9 | 110.7 | -82.1 | -24.3 | 0 | 0 | 0 | 108.7 | |||||
| 1168 | A | 22.7 | Very low | 23 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | 77.8 | 120.9 | 82.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1169 | G | 21.3 | Very low | 22.7 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 106.2 | 114.7 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1170 | S | 21.7 | Very low | 22.9 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | 162.1 | 125.4 | 86.9 | -77.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1171 | K | 20.9 | Very low | 22.8 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 43.5 | 129.7 | 128.1 | -54.7 | 175.9 | 176.7 | 176.4 | 0 | 118.7 | |||||
| 1172 | L | 21.5 | Very low | 22.7 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 174.7 | 122.8 | 89.6 | -117 | 110 | 0 | 0 | 0 | 112.4 | |||||
| 1173 | N | 21 | Very low | 22.7 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 64% | 0.642 | 81% | 0.813 | S | S | * | * | 36.7 | 123.6 | 125.8 | -92.8 | -1.9 | 0 | 0 | 0 | 123.2 | |||||
| 1174 | Q | 21.2 | Very low | 22.1 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | 58.4 | 121.2 | 121.6 | -65.8 | 179.7 | 11.8 | 0 | 0 | 119.8 | |||||
| 1175 | R | 24.4 | Very low | 22.1 | Very low | 255 Ų | 255 | 139.5 Ų | 139.5 | 96% | 0.962 | 80% | 0.799 | S | S | * | * | -150.4 | 130.6 | 126.5 | -140.4 | 169 | -178.9 | 172.6 | -0.9 | 112.1 | |||||
| 1176 | A | 21.7 | Very low | 22.4 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -98.8 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1177 | G | 22 | Very low | 22.4 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 137.1 | 141.8 | 158 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1178 | A | 21.3 | Very low | 22.3 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | cis | -171.6 | 145.7 | -12.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1179 | G | 21.2 | Very low | 22.3 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 102.7 | 110.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1180 | V | 25.8 | Very low | 22.5 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 93% | 0.933 | 80% | 0.804 | S | S | * | * | -144.3 | 138 | 126.5 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1181 | R | 21.4 | Very low | 22.7 | Very low | 235 Ų | 235 | 146.7 Ų | 146.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -87.3 | 142.6 | -165.1 | -71.4 | 171.9 | 169.8 | 169.7 | -4.5 | 114 | ||||
| 1182 | H | 20.3 | Very low | 22.9 | Very low | 174 Ų | 174 | 147.2 Ų | 147.2 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | 38.3 | 118.8 | 131.3 | -113.8 | -88.2 | 0 | 0 | 0 | 120.8 | ||||
| 1183 | L | 24.9 | Very low | 23 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | trans | -128.5 | 134.4 | 147.4 | -92.4 | 157.1 | 0 | 0 | 0 | 108.5 | ||||
| 1184 | S | 21.9 | Very low | 23.4 | Very low | 87 Ų | 87 | 145 Ų | 145 | 61% | 0.608 | 82% | 0.824 | S | S | * | * | trans | -105.4 | 136.8 | -157.3 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1185 | S | 22.1 | Very low | 23.6 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | 46.8 | 119.6 | 137.6 | 68.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1186 | T | 28 | Very low | 23.8 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -159.5 | 97.2 | 132.7 | 45.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1187 | K | 22.5 | Very low | 24.2 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | 91.2 | 108.2 | 84.5 | -163.5 | 173.4 | -175 | 174.8 | 0 | 114.2 | |||||
| 1188 | D | 21.4 | Very low | 24.9 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 81% | 0.814 | S | S | * | * | trans | 51.4 | 122.3 | 146.7 | -55.5 | -27.4 | 0 | 0 | 0 | 121 | ||||
| 1189 | R | 22.5 | Very low | 25.9 | Very low | 234 Ų | 234 | 138.8 Ų | 138.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | 170.5 | 145.8 | 82.4 | -122.7 | 165.4 | -177.4 | -157.7 | -0.8 | 113.6 | |||||
| 1190 | S | 24.2 | Very low | 27.8 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | 61.9 | 99 | 150.5 | 54.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1191 | S | 25.7 | Very low | 30.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -5.2 | 127.9 | 130.8 | 55.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1192 | E | 25.4 | Very low | 33.1 | Very low | 196 Ų | 196 | 122.9 Ų | 122.9 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | trans | -156.6 | 120.4 | 131.3 | -113.6 | 169 | -166 | 0 | 0 | 108.7 | ||||
| 1193 | G | 24.6 | Very low | 36.2 | Very low | 76 Ų | 76 | 114.8 Ų | 114.8 | 78% | 0.784 | 69% | 0.69 | S | S | * | * | trans | -78.8 | 137.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1194 | T | 28.6 | Very low | 38.8 | Very low | 147 Ų | 147 | 108.4 Ų | 108.4 | 90% | 0.902 | 66% | 0.66 | S | S | * | * | trans | -136.1 | 128 | 146.9 | 32.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1195 | S | 26 | Very low | 41.3 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 72% | 0.72 | 67% | 0.671 | S | S | * | * | trans | -60.5 | 131.9 | -174 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1196 | D | 28.1 | Very low | 43.8 | Very low | 161 Ų | 161 | 107.4 Ų | 107.4 | 86% | 0.861 | 64% | 0.64 | S | S | * | * | 56.5 | 136.4 | 125.9 | -63.6 | -39.5 | 0 | 0 | 0 | 122.5 | |||||
| 1197 | A | 31.5 | Very low | 46.1 | Very low | 102 Ų | 102 | 103.6 Ų | 103.6 | 84% | 0.843 | 62% | 0.618 | S | S | * | * | trans | 99.1 | 37.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1198 | S | 36.2 | Very low | 48.8 | Very low | 111 Ų | 111 | 98.7 Ų | 98.7 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | trans | -128.7 | 11.7 | 159.3 | 66 | 0 | 0 | 0 | 0 | 115.5 | S1200 | S1198-S1200 VanDerWaalsContact C-N 3.27Å; S1198-S1200 PolarHBondContact O-N 2.78Å | ||
| 1199 | S | 42.8 | Very low | 51.7 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -0.5 | -164.3 | 71.8 | 0 | 0 | 0 | 0 | 117.5 | K1248 | S1199-K1248 PolarHBondContact O-NZ 3.13Å; S1199-K1248 VanDerWaalsContact O-NZ 3.14Å |
| 1200 | S | 60.6 | Low | 54.7 | Low | 89 Ų | 89 | 86.4 Ų | 86.4 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -26.1 | -177.2 | 167.4 | 0 | 0 | 0 | 0 | 115.3 | S1198 C1202 Q1276 | S1198-S1200 VanDerWaalsContact C-N 3.27Å; S1198-S1200 PolarHBondContact O-N 2.78Å; S1200-C1202 PolarHBondContact O-N 3.49Å; S1200-Q1276 PolarHBondContact OG-NE2 3.47Å; S1200-Q1276 PolarHBondContact OG-OE1 2.92Å; S1200-Q1276 VanDerWaalsContact OG-OE1 3.08Å |
| 1201 | C | 73.1 | Confident | 58 | Low | 17 Ų | 17 | 82.3 Ų | 82.3 | 12% | 0.115 | 54% | 0.537 | C | S | . | . | trans | -74.5 | 128.6 | -173.5 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | L1203 K1248 C1277 | C1201-L1203 VanDerWaalsContact C-N 3.3Å; C1201-L1203 PolarHBondContact SG-N 2.99Å; C1201-L1203 PolarHBondContact SG-O 3.29Å; C1201-K1248 WeakPolarHBondContact O-CE 3.32Å; C1201-K1248 PolarHBondContact O-NZ 3.33Å; C1201-C1277 HydrophobicContact CB-CB 4.04Å; C1201-C1277 WeakPolarHBondContact CB-SG 3.38Å; C1201-C1277 WeakPolarHBondContact SG-CB 3.32Å; C1201-C1277 CovalentContact SG-SG 2.05Å; C1201-C1277 PolarHBondContact SG-SG 3.01Å | ||
| 1202 | C | 84 | Confident | 61 | Low | 22 Ų | 22 | 83.5 Ų | 83.5 | 15% | 0.149 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -81.9 | -4.6 | -179.9 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | S1200 K1248 L1251 | S1200-C1202 PolarHBondContact O-N 3.49Å; C1202-K1248 PolarHBondContact O-N 3.09Å; C1202-K1248 VanDerWaalsContact O-N 3.07Å; C1202-L1251 HydrophobicContact CB-CB 4.32Å; C1202-L1251 HydrophobicContact CB-CD2 4.23Å |
| 1203 | L | 85.4 | Confident | 64 | Low | 5 Ų | 5 | 78.4 Ų | 78.4 | 3% | 0.026 | 51% | 0.506 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 131.7 | 169.2 | -61.7 | 174 | 0 | 0 | 0 | 109.7 | C1201 V1246 L1251 L1270 A1273 A1281 | C1201-L1203 VanDerWaalsContact C-N 3.3Å; C1201-L1203 PolarHBondContact SG-N 2.99Å; C1201-L1203 PolarHBondContact SG-O 3.29Å; L1203-V1246 HydrophobicContact CD2-CG1 4.25Å; L1203-L1251 HydrophobicContact CD2-CD2 4.05Å; L1203-L1270 HydrophobicContact CD2-CD2 4.02Å; L1203-A1273 HydrophobicContact CD1-CB 3.83Å; L1203-A1273 HydrophobicContact CG-CB 3.92Å; L1203-A1281 HydrophobicContact CD1-CB 4.22Å |
| 1204 | S | 81.2 | Confident | 67.3 | Low | 45 Ų | 45 | 75.7 Ų | 75.7 | 32% | 0.315 | 47% | 0.472 | S | S | . | . | trans | -69.3 | 148.1 | 172.2 | -62 | 0 | 0 | 0 | 0 | 110.2 | V1206 V1246 | S1204-V1206 PolarHBondContact O-N 3.4Å; S1204-V1206 VanDerWaalsContact O-N 3.11Å; S1204-V1246 WeakPolarHBondContact CB-O 3.46Å; S1204-V1246 PolarHBondContact N-O 3.17Å; S1204-V1246 PolarHBondContact OG-O 3.08Å | ||
| 1205 | L | 74.6 | Confident | 70.4 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 83% | 0.827 | 43% | 0.433 | S | S | * | . | trans | -72.1 | 103.8 | 171.1 | -160.3 | 83.5 | 0 | 0 | 0 | 108.1 | ||||
| 1206 | V | 73.1 | Confident | 73.4 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 42% | 0.42 | C | S | . | . | trans | -100.9 | 135.9 | -177.3 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | S1204 A1210 V1246 N1283 | S1204-V1206 PolarHBondContact O-N 3.4Å; S1204-V1206 VanDerWaalsContact O-N 3.11Å; V1206-A1210 HydrophobicContact CG1-CB 3.7Å; V1206-V1246 HydrophobicContact CG2-CB 4.18Å; V1206-V1246 HydrophobicContact CG2-CG1 4.04Å; V1206-V1246 HydrophobicContact CG2-CG2 3.93Å; V1206-N1283 PolarHBondContact O-ND2 3.04Å | ||
| 1207 | S | 76 | Confident | 76.4 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 42% | 0.42 | 39% | 0.387 | S | S | . | . | trans | -67.2 | 143.7 | 176.1 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | S1209 A1210 | S1207-S1209 WeakPolarHBondContact CB-OG 3.35Å; S1207-S1209 PolarHBondContact O-N 2.72Å; S1207-S1209 VanDerWaalsContact O-N 3.1Å; S1207-S1209 PolarHBondContact OG-OG 3.1Å; S1207-A1210 PolarHBondContact O-N 3.08Å | ||
| 1208 | P | 80.7 | Confident | 79.1 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55 | -28.5 | 173.4 | -27 | 34.5 | 0 | 0 | 0 | 113.7 | A1210 K1211 Q1212 | P1208-A1210 VanDerWaalsContact C-N 3.32Å; P1208-A1210 PolarHBondContact O-N 3.36Å; P1208-K1211 WeakPolarHBondContact O-CB 3.43Å; P1208-K1211 PolarHBondContact O-N 3.01Å; P1208-Q1212 PolarHBondContact O-N 3.34Å |
| 1209 | S | 81.6 | Confident | 81.6 | Confident | 76 Ų | 76 | 61 Ų | 61 | 53% | 0.531 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | S1207 K1211 Q1212 Q1213 | S1207-S1209 WeakPolarHBondContact CB-OG 3.35Å; S1207-S1209 PolarHBondContact O-N 2.72Å; S1207-S1209 VanDerWaalsContact O-N 3.1Å; S1207-S1209 PolarHBondContact OG-OG 3.1Å; S1209-K1211 VanDerWaalsContact C-N 3.33Å; S1209-K1211 PolarHBondContact O-N 3.31Å; S1209-Q1212 PolarHBondContact O-N 3.45Å; S1209-Q1213 WeakPolarHBondContact O-CB 3.33Å; S1209-Q1213 PolarHBondContact O-N 2.92Å |
| 1210 | A | 86.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 26% | 0.256 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1206 S1207 P1208 Q1213 R1214 | V1206-A1210 HydrophobicContact CG1-CB 3.7Å; S1207-A1210 PolarHBondContact O-N 3.08Å; P1208-A1210 VanDerWaalsContact C-N 3.32Å; P1208-A1210 PolarHBondContact O-N 3.36Å; A1210-Q1213 PolarHBondContact O-N 3.16Å; A1210-R1214 WeakPolarHBondContact O-CG 3.34Å; A1210-R1214 PolarHBondContact O-N 3.14Å; A1210-R1214 VanDerWaalsContact O-N 3.11Å |
| 1211 | K | 91.8 | Very high | 84.8 | Confident | 13 Ų | 13 | 60 Ų | 60 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 174.4 | -171.2 | -179.2 | -171.5 | 176.2 | 0 | 111.5 | P1208 S1209 Q1213 R1214 F1215 L1282 Y1323 E1329 | P1208-K1211 WeakPolarHBondContact O-CB 3.43Å; P1208-K1211 PolarHBondContact O-N 3.01Å; S1209-K1211 VanDerWaalsContact C-N 3.33Å; S1209-K1211 PolarHBondContact O-N 3.31Å; K1211-Q1213 VanDerWaalsContact C-N 3.29Å; K1211-Q1213 PolarHBondContact O-N 3.37Å; K1211-R1214 PolarHBondContact O-N 3.39Å; K1211-F1215 HydrophobicContact CD-CE2 4.33Å; K1211-F1215 HydrophobicContact CD-CZ 4.26Å; K1211-F1215 HydrophobicContact CG-CE1 4.48Å; K1211-F1215 HydrophobicContact CG-CE2 3.95Å; K1211-F1215 HydrophobicContact CG-CZ 3.89Å; K1211-F1215 PolarHBondContact O-N 2.87Å; K1211-F1215 VanDerWaalsContact O-N 3.11Å; K1211-L1282 PolarHBondContact NZ-O 3.47Å; K1211-Y1323 PolarHBondContact NZ-OH 3.15Å; K1211-E1329 WeakPolarHBondContact CE-OE1 3.47Å; K1211-E1329 IonicContact NZ-OE1 2.71Å; K1211-E1329 PolarHBondContact NZ-OE1 2.76Å; K1211-E1329 IonicContact NZ-OE2 2.79Å |
| 1212 | Q | 89.2 | Confident | 85.5 | Confident | 139 Ų | 139 | 67.3 Ų | 67.3 | 65% | 0.65 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.6 | -38.2 | 175.3 | -69.2 | -175.1 | -6.5 | 0 | 0 | 112.1 | P1208 S1209 R1214 F1215 H1216 | P1208-Q1212 PolarHBondContact O-N 3.34Å; S1209-Q1212 PolarHBondContact O-N 3.45Å; Q1212-R1214 PolarHBondContact O-N 3.13Å; Q1212-F1215 PolarHBondContact O-N 3.34Å; Q1212-H1216 PolarHBondContact O-N 2.81Å |
| 1213 | Q | 89.6 | Confident | 85.8 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 175 | -174 | 57.9 | 37 | 0 | 0 | 111.6 | S1209 A1210 K1211 F1215 H1216 D1217 | S1209-Q1213 WeakPolarHBondContact O-CB 3.33Å; S1209-Q1213 PolarHBondContact O-N 2.92Å; A1210-Q1213 PolarHBondContact O-N 3.16Å; K1211-Q1213 VanDerWaalsContact C-N 3.29Å; K1211-Q1213 PolarHBondContact O-N 3.37Å; Q1213-F1215 VanDerWaalsContact C-N 3.33Å; Q1213-F1215 PolarHBondContact O-N 3.48Å; Q1213-H1216 PolarHBondContact O-N 2.88Å; Q1213-D1217 VanDerWaalsContact NE2-CG 3.34Å; Q1213-D1217 PolarHBondContact NE2-OD1 3.07Å; Q1213-D1217 PolarHBondContact NE2-OD2 2.88Å; Q1213-D1217 VanDerWaalsContact NE2-OD2 3.12Å; Q1213-D1217 WeakPolarHBondContact O-CB 3.16Å; Q1213-D1217 VanDerWaalsContact O-CG 3.29Å; Q1213-D1217 PolarHBondContact O-N 3.22Å |
| 1214 | R | 92.6 | Very high | 85.8 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 174.5 | -68.2 | -169.2 | -61.3 | -88.8 | 5.1 | 112.4 | A1210 K1211 Q1212 D1217 E1218 N1283 D1286 | A1210-R1214 WeakPolarHBondContact O-CG 3.34Å; A1210-R1214 PolarHBondContact O-N 3.14Å; A1210-R1214 VanDerWaalsContact O-N 3.11Å; K1211-R1214 PolarHBondContact O-N 3.39Å; Q1212-R1214 PolarHBondContact O-N 3.13Å; R1214-D1217 PolarHBondContact O-N 3.11Å; R1214-E1218 WeakPolarHBondContact O-CB 3.19Å; R1214-E1218 PolarHBondContact O-N 2.87Å; R1214-N1283 PolarHBondContact NH2-O 3.43Å; R1214-N1283 VanDerWaalsContact NH2-O 3.14Å; R1214-D1286 IonicContact CZ-OD1 4Å; R1214-D1286 IonicContact CZ-OD2 2.71Å; R1214-D1286 IonicContact NE-OD1 3.06Å; R1214-D1286 IonicContact NE-OD2 2.73Å; R1214-D1286 PolarHBondContact NE-OD2 2.99Å; R1214-D1286 IonicContact NH2-OD1 2.69Å; R1214-D1286 PolarHBondContact NH2-OD1 3.33Å; R1214-D1286 IonicContact NH2-OD2 3.94Å; R1214-D1286 PolarHBondContact NH2-OD2 3.4Å |
| 1215 | F | 92.9 | Very high | 86.1 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 9% | 0.088 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 174.9 | -63.8 | -23.1 | 0 | 0 | 0 | 112.5 | K1211 Q1212 Q1213 E1218 K1219 D1286 H1326 Y1328 E1329 | K1211-F1215 HydrophobicContact CD-CE2 4.33Å; K1211-F1215 HydrophobicContact CD-CZ 4.26Å; K1211-F1215 HydrophobicContact CG-CE1 4.48Å; K1211-F1215 HydrophobicContact CG-CE2 3.95Å; K1211-F1215 HydrophobicContact CG-CZ 3.89Å; K1211-F1215 PolarHBondContact O-N 2.87Å; K1211-F1215 VanDerWaalsContact O-N 3.11Å; Q1212-F1215 PolarHBondContact O-N 3.34Å; Q1213-F1215 VanDerWaalsContact C-N 3.33Å; Q1213-F1215 PolarHBondContact O-N 3.48Å; F1215-E1218 PolarHBondContact O-N 3.33Å; F1215-K1219 VanDerWaalsContact O-CB 3.3Å; F1215-K1219 WeakPolarHBondContact O-CB 3.45Å; F1215-K1219 PolarHBondContact O-N 2.91Å; F1215-D1286 HydrophobicContact CE1-CB 3.9Å; F1215-D1286 HydrophobicContact CZ-CB 4.3Å; F1215-H1326 AromaticContact CD2-ND1 3.97Å; F1215-H1326 HydrophobicContact CE2-CB 3.95Å; F1215-H1326 AromaticContact CE2-CG 3.76Å; F1215-H1326 AromaticContact CE2-ND1 3.92Å; F1215-H1326 HydrophobicContact CZ-CB 4.14Å; F1215-Y1328 HydrophobicContact CB-CD2 3.87Å; F1215-Y1328 HydrophobicContact CB-CE2 4.3Å; F1215-Y1328 HydrophobicContact CD1-CD2 4.07Å; F1215-Y1328 HydrophobicContact CD1-CG 4.25Å; F1215-Y1328 AromaticContact CG-CD2 3.98Å; F1215-Y1328 HydrophobicContact CG-CD2 3.98Å; F1215-E1329 HydrophobicContact CE1-CG 4.15Å; F1215-E1329 HydrophobicContact CZ-CG 3.72Å |
| 1216 | H | 89.7 | Confident | 87 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 174.6 | -178.8 | -80.2 | 0 | 0 | 0 | 111.3 | Q1212 Q1213 K1219 A1220 | Q1212-H1216 PolarHBondContact O-N 2.81Å; Q1213-H1216 PolarHBondContact O-N 2.88Å; H1216-K1219 PolarHBondContact O-N 2.64Å; H1216-A1220 WeakPolarHBondContact O-CB 2.93Å; H1216-A1220 PolarHBondContact O-N 2.59Å |
| 1217 | D | 90.9 | Very high | 87.5 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.171 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.1 | -34.9 | 178.8 | -68.2 | -28.4 | 0 | 0 | 0 | 111.9 | Q1213 R1214 L1221 R1222 I1223 | Q1213-D1217 VanDerWaalsContact NE2-CG 3.34Å; Q1213-D1217 PolarHBondContact NE2-OD1 3.07Å; Q1213-D1217 PolarHBondContact NE2-OD2 2.88Å; Q1213-D1217 VanDerWaalsContact NE2-OD2 3.12Å; Q1213-D1217 WeakPolarHBondContact O-CB 3.16Å; Q1213-D1217 VanDerWaalsContact O-CG 3.29Å; Q1213-D1217 PolarHBondContact O-N 3.22Å; R1214-D1217 PolarHBondContact O-N 3.11Å; D1217-L1221 PolarHBondContact O-N 3.3Å; D1217-L1221 VanDerWaalsContact O-N 3.13Å; D1217-R1222 HydrophobicContact CB-CB 4.07Å; D1217-R1222 PolarHBondContact O-N 3.05Å; D1217-R1222 WeakPolarHBondContact OD1-CD 3.4Å; D1217-R1222 IonicContact OD1-CZ 3.06Å; D1217-R1222 IonicContact OD1-NE 3.72Å; D1217-R1222 IonicContact OD1-NH1 2.6Å; D1217-R1222 PolarHBondContact OD1-NH1 2.93Å; D1217-I1223 HydrophobicContact CB-CG1 4.37Å; D1217-I1223 HydrophobicContact CB-CG2 4.4Å; D1217-I1223 PolarHBondContact O-N 3.19Å |
| 1218 | E | 89.2 | Confident | 88.1 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 171.7 | -162.8 | 159.9 | 174.1 | 0 | 0 | 111.3 | R1214 F1215 A1220 L1221 I1223 W1226 K1290 Y1328 | R1214-E1218 WeakPolarHBondContact O-CB 3.19Å; R1214-E1218 PolarHBondContact O-N 2.87Å; F1215-E1218 PolarHBondContact O-N 3.33Å; E1218-A1220 VanDerWaalsContact C-N 3.34Å; E1218-A1220 PolarHBondContact O-N 2.98Å; E1218-L1221 PolarHBondContact O-N 3.07Å; E1218-L1221 VanDerWaalsContact O-N 3.13Å; E1218-I1223 HydrophobicContact CB-CD1 3.95Å; E1218-I1223 HydrophobicContact CB-CG1 4.04Å; E1218-I1223 HydrophobicContact CG-CD1 4.5Å; E1218-I1223 HydrophobicContact CG-CG1 4.46Å; E1218-W1226 PolarHBondContact OE1-N 3.46Å; E1218-W1226 VanDerWaalsContact OE1-N 3.15Å; E1218-K1290 IonicContact OE2-NZ 2.69Å; E1218-K1290 PolarHBondContact OE2-NZ 2.96Å; E1218-Y1328 HydrophobicContact CG-CD1 4.4Å |
| 1219 | K | 87.3 | Confident | 88 | Confident | 157 Ų | 157 | 69.5 Ų | 69.5 | 68% | 0.683 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 176.1 | -171.6 | 175.8 | -178.7 | 179.7 | 0 | 112.4 | F1215 H1216 L1221 Y1328 | F1215-K1219 VanDerWaalsContact O-CB 3.3Å; F1215-K1219 WeakPolarHBondContact O-CB 3.45Å; F1215-K1219 PolarHBondContact O-N 2.91Å; H1216-K1219 PolarHBondContact O-N 2.64Å; K1219-L1221 PolarHBondContact O-N 3.35Å; K1219-Y1328 VanDerWaalsContact CB-OH 3.3Å; K1219-Y1328 WeakPolarHBondContact CB-OH 3.41Å; K1219-Y1328 WeakPolarHBondContact CG-OH 3.26Å |
| 1220 | A | 89 | Confident | 88 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 1.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1216 E1218 R1222 | H1216-A1220 WeakPolarHBondContact O-CB 2.93Å; H1216-A1220 PolarHBondContact O-N 2.59Å; E1218-A1220 VanDerWaalsContact C-N 3.34Å; E1218-A1220 PolarHBondContact O-N 2.98Å; A1220-R1222 HydrophobicContact CB-CG 4.07Å; A1220-R1222 PolarHBondContact O-N 3.14Å |
| 1221 | L | 83.2 | Confident | 87.9 | Confident | 127 Ų | 127 | 71.1 Ų | 71.1 | 67% | 0.665 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.7 | -176.8 | -55.7 | 171.9 | 0 | 0 | 0 | 113.3 | D1217 E1218 K1219 I1223 | D1217-L1221 PolarHBondContact O-N 3.3Å; D1217-L1221 VanDerWaalsContact O-N 3.13Å; E1218-L1221 PolarHBondContact O-N 3.07Å; E1218-L1221 VanDerWaalsContact O-N 3.13Å; K1219-L1221 PolarHBondContact O-N 3.35Å; L1221-I1223 VanDerWaalsContact C-N 3.28Å |
| 1222 | R | 87.5 | Confident | 87.7 | Confident | 169 Ų | 169 | 72.6 Ų | 72.6 | 64% | 0.638 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -76.3 | -20.6 | 172.7 | -69.9 | 173.6 | 175.7 | 176.7 | -2.6 | 112.2 | D1217 A1220 | D1217-R1222 HydrophobicContact CB-CB 4.07Å; D1217-R1222 PolarHBondContact O-N 3.05Å; D1217-R1222 WeakPolarHBondContact OD1-CD 3.4Å; D1217-R1222 IonicContact OD1-CZ 3.06Å; D1217-R1222 IonicContact OD1-NE 3.72Å; D1217-R1222 IonicContact OD1-NH1 2.6Å; D1217-R1222 PolarHBondContact OD1-NH1 2.93Å; A1220-R1222 HydrophobicContact CB-CG 4.07Å; A1220-R1222 PolarHBondContact O-N 3.14Å |
| 1223 | I | 89.5 | Confident | 87.5 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -121 | 157.2 | 169.7 | 60.5 | 173.5 | 0 | 0 | 0 | 109.3 | D1217 E1218 L1221 K1225 | D1217-I1223 HydrophobicContact CB-CG1 4.37Å; D1217-I1223 HydrophobicContact CB-CG2 4.4Å; D1217-I1223 PolarHBondContact O-N 3.19Å; E1218-I1223 HydrophobicContact CB-CD1 3.95Å; E1218-I1223 HydrophobicContact CB-CG1 4.04Å; E1218-I1223 HydrophobicContact CG-CD1 4.5Å; E1218-I1223 HydrophobicContact CG-CG1 4.46Å; L1221-I1223 VanDerWaalsContact C-N 3.28Å; I1223-K1225 PolarHBondContact O-N 3.36Å |
| 1224 | L | 86.2 | Confident | 87.5 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | trans | -59.2 | 130.7 | 175.1 | -61.2 | 171.3 | 0 | 0 | 0 | 109.8 | W1226 E1234 Q1238 | L1224-W1226 PolarHBondContact O-N 2.95Å; L1224-E1234 HydrophobicContact CD1-CB 3.76Å; L1224-Q1238 PolarHBondContact O-NE2 3.42Å; L1224-Q1238 VanDerWaalsContact O-NE2 3.08Å | ||
| 1225 | K | 87.9 | Confident | 87.5 | Confident | 111 Ų | 111 | 72.1 Ų | 72.1 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | trans | -63.1 | 130.8 | 173.8 | -167.5 | -174.1 | -171.4 | -163.8 | 0 | 109.5 | I1223 Q1227 | I1223-K1225 PolarHBondContact O-N 3.36Å; K1225-Q1227 PolarHBondContact O-N 3.19Å | ||
| 1226 | W | 92.6 | Very high | 87.5 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 0% | 0.004 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -80.2 | 62.9 | -174.8 | -157.7 | -91 | 0 | 0 | 0 | 113.4 | E1218 L1224 F1228 H1235 L1239 K1290 T1293 L1294 S1332 F1336 | E1218-W1226 PolarHBondContact OE1-N 3.46Å; E1218-W1226 VanDerWaalsContact OE1-N 3.15Å; L1224-W1226 PolarHBondContact O-N 2.95Å; W1226-F1228 AromaticContact CD2-CE1 3.91Å; W1226-F1228 HydrophobicContact CD2-CE1 3.91Å; W1226-F1228 AromaticContact CE2-CE1 3.63Å; W1226-F1228 AromaticContact CE2-CZ 3.83Å; W1226-F1228 HydrophobicContact CE3-CE1 4.43Å; W1226-F1228 HydrophobicContact CG-CE1 4.23Å; W1226-F1228 HydrophobicContact CH2-CE1 4.44Å; W1226-F1228 AromaticContact CZ2-CE1 3.94Å; W1226-F1228 HydrophobicContact CZ2-CE1 3.94Å; W1226-F1228 AromaticContact CZ2-CZ 3.93Å; W1226-F1228 HydrophobicContact CZ2-CZ 3.93Å; W1226-F1228 AromaticContact NE1-CE1 3.77Å; W1226-F1228 AromaticContact NE1-CZ 3.77Å; W1226-H1235 HydrophobicContact CH2-CB 4.33Å; W1226-H1235 HydrophobicContact CZ3-CB 4.16Å; W1226-H1235 WeakPolarHBondContact CZ3-O 3.3Å; W1226-L1239 HydrophobicContact CH2-CB 3.61Å; W1226-L1239 HydrophobicContact CH2-CD1 4.36Å; W1226-L1239 HydrophobicContact CH2-CD2 3.7Å; W1226-L1239 HydrophobicContact CH2-CG 4.08Å; W1226-L1239 HydrophobicContact CZ2-CD2 4.04Å; W1226-L1239 HydrophobicContact CZ3-CB 3.86Å; W1226-K1290 HydrophobicContact CB-CD 4.41Å; W1226-K1290 HydrophobicContact CD2-CB 4.14Å; W1226-K1290 HydrophobicContact CD2-CD 3.77Å; W1226-K1290 HydrophobicContact CD2-CG 3.69Å; W1226-K1290 HydrophobicContact CE3-CD 4Å; W1226-K1290 HydrophobicContact CE3-CG 4.34Å; W1226-K1290 HydrophobicContact CG-CD 3.96Å; W1226-K1290 HydrophobicContact CG-CG 3.78Å; W1226-K1290 HydrophobicContact CH2-CB 4.35Å; W1226-K1290 HydrophobicContact CZ2-CB 3.77Å; W1226-K1290 HydrophobicContact CZ2-CG 4.26Å; W1226-T1293 PolarHBondContact NE1-OG1 3.16Å; W1226-L1294 HydrophobicContact CH2-CD2 4.18Å; W1226-L1294 HydrophobicContact CH2-CG 4.47Å; W1226-L1294 HydrophobicContact CZ2-CD2 3.88Å; W1226-L1294 HydrophobicContact CZ2-CG 4.12Å; W1226-S1332 VanDerWaalsContact CD1-O 3.31Å; W1226-F1336 AromaticContact CD1-CE2 3.9Å |
| 1227 | Q | 84.4 | Confident | 87.6 | Confident | 109 Ų | 109 | 73.1 Ų | 73.1 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | trans | -139.9 | 112 | 178.5 | -72.3 | -179.8 | -12.5 | 0 | 0 | 109.7 | K1225 | K1225-Q1227 PolarHBondContact O-N 3.19Š| ||
| 1228 | F | 87.8 | Confident | 87.8 | Confident | 29 Ų | 29 | 73 Ų | 73 | 13% | 0.127 | 39% | 0.389 | C | S | . | . | trans | -150.4 | 151.9 | -178.7 | 46.6 | -102.4 | 0 | 0 | 0 | 111.9 | W1226 P1231 H1235 L1294 F1297 F1336 | W1226-F1228 AromaticContact CD2-CE1 3.91Å; W1226-F1228 HydrophobicContact CD2-CE1 3.91Å; W1226-F1228 AromaticContact CE2-CE1 3.63Å; W1226-F1228 AromaticContact CE2-CZ 3.83Å; W1226-F1228 HydrophobicContact CE3-CE1 4.43Å; W1226-F1228 HydrophobicContact CG-CE1 4.23Å; W1226-F1228 HydrophobicContact CH2-CE1 4.44Å; W1226-F1228 AromaticContact CZ2-CE1 3.94Å; W1226-F1228 HydrophobicContact CZ2-CE1 3.94Å; W1226-F1228 AromaticContact CZ2-CZ 3.93Å; W1226-F1228 HydrophobicContact CZ2-CZ 3.93Å; W1226-F1228 AromaticContact NE1-CE1 3.77Å; W1226-F1228 AromaticContact NE1-CZ 3.77Å; F1228-P1231 HydrophobicContact CD2-CB 4Å; F1228-P1231 HydrophobicContact CE2-CB 3.58Å; F1228-P1231 HydrophobicContact CE2-CG 4.03Å; F1228-P1231 HydrophobicContact CZ-CB 3.88Å; F1228-H1235 AromaticContact CD1-CD2 3.63Å; F1228-H1235 AromaticContact CD1-CE1 3.94Å; F1228-H1235 AromaticContact CD1-CG 3.85Å; F1228-H1235 AromaticContact CD1-NE2 3.69Å; F1228-H1235 HydrophobicContact CE1-CB 4.31Å; F1228-H1235 AromaticContact CE1-CD2 3.91Å; F1228-L1294 HydrophobicContact CZ-CD2 4.1Å; F1228-F1297 HydrophobicContact CD2-CE2 4.26Å; F1228-F1297 HydrophobicContact CD2-CZ 4.3Å; F1228-F1297 HydrophobicContact CE2-CD2 4.32Å; F1228-F1297 AromaticContact CE2-CE2 3.68Å; F1228-F1297 HydrophobicContact CE2-CE2 3.68Å; F1228-F1297 HydrophobicContact CE2-CZ 4.18Å; F1228-F1336 AromaticContact CD2-CE1 3.77Å; F1228-F1336 HydrophobicContact CD2-CE1 3.77Å; F1228-F1336 HydrophobicContact CD2-CZ 4.28Å; F1228-F1336 HydrophobicContact CE1-CZ 4.34Å; F1228-F1336 HydrophobicContact CE2-CD1 4.39Å; F1228-F1336 AromaticContact CE2-CE1 3.62Å; F1228-F1336 HydrophobicContact CE2-CE1 3.62Å; F1228-F1336 HydrophobicContact CE2-CZ 4.11Å; F1228-F1336 HydrophobicContact CG-CE1 4.36Å; F1228-F1336 HydrophobicContact CG-CZ 4.48Å; F1228-F1336 HydrophobicContact CZ-CE1 4.09Å; F1228-F1336 HydrophobicContact CZ-CZ 4.14Å; F1228-F1336 WeakPolarHBondContact O-CE1 3.32Å | ||
| 1229 | A | 78.7 | Confident | 88.1 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 73% | 0.727 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -79.3 | -25.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1297 | A1229-F1297 WeakPolarHBondContact O-CE1 3.34Š|
| 1230 | T | 81 | Confident | 88.4 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 64% | 0.638 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -153.3 | 133 | 173.7 | -35.3 | 0 | 0 | 0 | 0 | 106.7 | S1232 F1297 | T1230-S1232 PolarHBondContact O-N 2.92Å; T1230-F1297 HydrophobicContact CG2-CD1 4.41Å |
| 1231 | P | 85.7 | Confident | 88.7 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 23% | 0.234 | 38% | 0.384 | C | S | . | . | trans | -65 | 132.8 | -175.7 | 22.4 | -31.1 | 0 | 0 | 0 | 111.4 | F1228 L1294 F1297 | F1228-P1231 HydrophobicContact CD2-CB 4Å; F1228-P1231 HydrophobicContact CE2-CB 3.58Å; F1228-P1231 HydrophobicContact CE2-CG 4.03Å; F1228-P1231 HydrophobicContact CZ-CB 3.88Å; P1231-L1294 HydrophobicContact CB-CD2 3.52Å; P1231-L1294 HydrophobicContact CG-CD2 3.96Å; P1231-F1297 HydrophobicContact CG-CB 4.35Å; P1231-F1297 HydrophobicContact CG-CD2 4.08Å; P1231-F1297 HydrophobicContact CG-CG 4.21Å | ||
| 1232 | S | 87 | Confident | 89.1 | Confident | 44 Ų | 44 | 67 Ų | 67 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | trans | -85.2 | 163.2 | 171.1 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | T1230 E1234 H1235 V1236 | T1230-S1232 PolarHBondContact O-N 2.92Å; S1232-E1234 PolarHBondContact O-N 3.06Å; S1232-H1235 PolarHBondContact O-N 2.97Å; S1232-H1235 VanDerWaalsContact O-N 3.14Å; S1232-H1235 PolarHBondContact OG-N 3.32Å; S1232-H1235 PolarHBondContact OG-ND1 3.14Å; S1232-V1236 WeakPolarHBondContact O-CG2 3.36Å; S1232-V1236 PolarHBondContact O-N 3.38Å | ||
| 1233 | S | 85.6 | Confident | 89.4 | Confident | 87 Ų | 87 | 59 Ų | 59 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.3 | -39.3 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 112 | H1235 V1236 D1237 | S1233-H1235 VanDerWaalsContact C-N 3.34Å; S1233-H1235 PolarHBondContact O-N 3.44Å; S1233-V1236 WeakPolarHBondContact O-CB 3.43Å; S1233-V1236 PolarHBondContact O-N 3.22Å; S1233-V1236 VanDerWaalsContact O-N 3.09Å; S1233-D1237 WeakPolarHBondContact O-CB 3.47Å; S1233-D1237 PolarHBondContact O-N 3.26Å |
| 1234 | E | 88.3 | Confident | 89.5 | Confident | 126 Ų | 126 | 59.9 Ų | 59.9 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.7 | -37.5 | 177.3 | -64 | 179.8 | 169.1 | 0 | 0 | 112.9 | L1224 S1232 V1236 D1237 Q1238 | L1224-E1234 HydrophobicContact CD1-CB 3.76Å; S1232-E1234 PolarHBondContact O-N 3.06Å; E1234-V1236 VanDerWaalsContact C-N 3.34Å; E1234-D1237 PolarHBondContact O-N 3.4Å; E1234-Q1238 VanDerWaalsContact O-CB 3.25Å; E1234-Q1238 WeakPolarHBondContact O-CB 3.35Å; E1234-Q1238 PolarHBondContact O-N 3.01Å |
| 1235 | H | 92.8 | Very high | 89.6 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 173.9 | -69.8 | 99.2 | 0 | 0 | 0 | 111.4 | W1226 F1228 S1232 S1233 L1239 | W1226-H1235 HydrophobicContact CH2-CB 4.33Å; W1226-H1235 HydrophobicContact CZ3-CB 4.16Å; W1226-H1235 WeakPolarHBondContact CZ3-O 3.3Å; F1228-H1235 AromaticContact CD1-CD2 3.63Å; F1228-H1235 AromaticContact CD1-CE1 3.94Å; F1228-H1235 AromaticContact CD1-CG 3.85Å; F1228-H1235 AromaticContact CD1-NE2 3.69Å; F1228-H1235 HydrophobicContact CE1-CB 4.31Å; F1228-H1235 AromaticContact CE1-CD2 3.91Å; S1232-H1235 PolarHBondContact O-N 2.97Å; S1232-H1235 VanDerWaalsContact O-N 3.14Å; S1232-H1235 PolarHBondContact OG-N 3.32Å; S1232-H1235 PolarHBondContact OG-ND1 3.14Å; S1233-H1235 VanDerWaalsContact C-N 3.34Å; S1233-H1235 PolarHBondContact O-N 3.44Å; H1235-L1239 WeakPolarHBondContact O-CB 3.43Å; H1235-L1239 PolarHBondContact O-N 3.37Å |
| 1236 | V | 92.5 | Very high | 89.6 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | S1232 S1233 E1234 L1239 K1240 F1256 L1294 | S1232-V1236 WeakPolarHBondContact O-CG2 3.36Å; S1232-V1236 PolarHBondContact O-N 3.38Å; S1233-V1236 WeakPolarHBondContact O-CB 3.43Å; S1233-V1236 PolarHBondContact O-N 3.22Å; S1233-V1236 VanDerWaalsContact O-N 3.09Å; E1234-V1236 VanDerWaalsContact C-N 3.34Å; V1236-L1239 PolarHBondContact O-N 2.98Å; V1236-K1240 VanDerWaalsContact O-CB 3.3Å; V1236-K1240 WeakPolarHBondContact O-CB 3.39Å; V1236-K1240 PolarHBondContact O-N 3.45Å; V1236-F1256 HydrophobicContact CG1-CD1 3.92Å; V1236-F1256 HydrophobicContact CG1-CE1 4.02Å; V1236-L1294 HydrophobicContact CG2-CD1 4.21Å; V1236-L1294 HydrophobicContact CG2-CD2 4.33Å |
| 1237 | D | 93.1 | Very high | 89.4 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 179.2 | -68.9 | -31 | 0 | 0 | 0 | 111.6 | S1233 E1234 L1239 K1240 V1241 | S1233-D1237 WeakPolarHBondContact O-CB 3.47Å; S1233-D1237 PolarHBondContact O-N 3.26Å; E1234-D1237 PolarHBondContact O-N 3.4Å; D1237-L1239 PolarHBondContact O-N 3.43Å; D1237-K1240 WeakPolarHBondContact O-CB 3.45Å; D1237-K1240 PolarHBondContact O-N 3.23Å; D1237-V1241 WeakPolarHBondContact O-CG2 3.45Å; D1237-V1241 PolarHBondContact O-N 2.97Å |
| 1238 | Q | 94.7 | Very high | 89.5 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.1 | -49.6 | 173.4 | 176.1 | 178.1 | -64 | 0 | 0 | 111.3 | L1224 E1234 K1240 V1241 Q1242 | L1224-Q1238 PolarHBondContact O-NE2 3.42Å; L1224-Q1238 VanDerWaalsContact O-NE2 3.08Å; E1234-Q1238 VanDerWaalsContact O-CB 3.25Å; E1234-Q1238 WeakPolarHBondContact O-CB 3.35Å; E1234-Q1238 PolarHBondContact O-N 3.01Å; Q1238-K1240 VanDerWaalsContact C-N 3.31Å; Q1238-K1240 PolarHBondContact O-N 3.05Å; Q1238-V1241 PolarHBondContact O-N 3.29Å; Q1238-Q1242 WeakPolarHBondContact O-CG 3.35Å; Q1238-Q1242 PolarHBondContact O-N 3.06Å |
| 1239 | L | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 179.6 | -176.2 | 65.2 | 0 | 0 | 0 | 111.1 | W1226 H1235 V1236 D1237 V1241 Q1242 M1243 F1256 L1287 K1290 W1291 L1294 | W1226-L1239 HydrophobicContact CH2-CB 3.61Å; W1226-L1239 HydrophobicContact CH2-CD1 4.36Å; W1226-L1239 HydrophobicContact CH2-CD2 3.7Å; W1226-L1239 HydrophobicContact CH2-CG 4.08Å; W1226-L1239 HydrophobicContact CZ2-CD2 4.04Å; W1226-L1239 HydrophobicContact CZ3-CB 3.86Å; H1235-L1239 WeakPolarHBondContact O-CB 3.43Å; H1235-L1239 PolarHBondContact O-N 3.37Å; V1236-L1239 PolarHBondContact O-N 2.98Å; D1237-L1239 PolarHBondContact O-N 3.43Å; L1239-V1241 VanDerWaalsContact C-N 3.34Å; L1239-V1241 PolarHBondContact O-N 3.46Å; L1239-Q1242 PolarHBondContact O-N 3.43Å; L1239-M1243 HydrophobicContact CD1-CG 4.06Å; L1239-M1243 HydrophobicContact CG-CG 4.11Å; L1239-M1243 HydrophobicContact CG-SD 4.48Å; L1239-M1243 WeakPolarHBondContact O-CB 3.38Å; L1239-M1243 VanDerWaalsContact O-CG 3.3Å; L1239-M1243 WeakPolarHBondContact O-CG 3.22Å; L1239-M1243 PolarHBondContact O-N 2.88Å; L1239-F1256 HydrophobicContact CB-CZ 4.42Å; L1239-F1256 HydrophobicContact CD2-CZ 4.26Å; L1239-F1256 HydrophobicContact CG-CZ 4.1Å; L1239-L1287 HydrophobicContact CD1-CB 4.47Å; L1239-L1287 HydrophobicContact CD1-CD2 4.05Å; L1239-K1290 HydrophobicContact CD1-CB 3.71Å; L1239-K1290 HydrophobicContact CD1-CD 4.37Å; L1239-K1290 HydrophobicContact CD2-CB 4.16Å; L1239-W1291 HydrophobicContact CD2-CB 3.99Å; L1239-L1294 HydrophobicContact CD2-CD1 3.67Å; L1239-L1294 HydrophobicContact CD2-CG 4.27Å |
| 1240 | K | 94.5 | Very high | 89.8 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 176.9 | -171.7 | 176 | -179.4 | -178.6 | 0 | 111.6 | V1236 D1237 Q1238 M1243 A1244 F1256 | V1236-K1240 VanDerWaalsContact O-CB 3.3Å; V1236-K1240 WeakPolarHBondContact O-CB 3.39Å; V1236-K1240 PolarHBondContact O-N 3.45Å; D1237-K1240 WeakPolarHBondContact O-CB 3.45Å; D1237-K1240 PolarHBondContact O-N 3.23Å; Q1238-K1240 VanDerWaalsContact C-N 3.31Å; Q1238-K1240 PolarHBondContact O-N 3.05Å; K1240-M1243 PolarHBondContact O-N 2.82Å; K1240-A1244 PolarHBondContact O-N 3.44Å; K1240-F1256 VanDerWaalsContact CA-CZ 3.44Å; K1240-F1256 HydrophobicContact CB-CD1 4.06Å; K1240-F1256 HydrophobicContact CB-CD2 4.3Å; K1240-F1256 HydrophobicContact CB-CE1 3.77Å; K1240-F1256 HydrophobicContact CB-CE2 4.04Å; K1240-F1256 HydrophobicContact CB-CG 4.32Å; K1240-F1256 HydrophobicContact CB-CZ 3.76Å; K1240-F1256 HydrophobicContact CD-CB 4.31Å; K1240-F1256 HydrophobicContact CD-CD1 4.29Å; K1240-F1256 HydrophobicContact CD-CD2 4.45Å; K1240-F1256 HydrophobicContact CD-CG 4.1Å; K1240-F1256 HydrophobicContact CG-CD1 4.23Å; K1240-F1256 HydrophobicContact CG-CD2 3.91Å; K1240-F1256 HydrophobicContact CG-CE1 4.36Å; K1240-F1256 HydrophobicContact CG-CE2 4.06Å; K1240-F1256 HydrophobicContact CG-CG 4.01Å; K1240-F1256 HydrophobicContact CG-CZ 4.28Å |
| 1241 | V | 93.6 | Very high | 90.4 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 63% | 0.63 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | D1237 Q1238 L1239 A1244 | D1237-V1241 WeakPolarHBondContact O-CG2 3.45Å; D1237-V1241 PolarHBondContact O-N 2.97Å; Q1238-V1241 PolarHBondContact O-N 3.29Å; L1239-V1241 VanDerWaalsContact C-N 3.34Å; L1239-V1241 PolarHBondContact O-N 3.46Å; V1241-A1244 WeakPolarHBondContact O-CB 3.38Å; V1241-A1244 PolarHBondContact O-N 2.9Å |
| 1242 | Q | 93.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.2 | -70.6 | 178.5 | -31.2 | 0 | 0 | 112.4 | Q1238 L1239 A1244 T1245 L1287 | Q1238-Q1242 WeakPolarHBondContact O-CG 3.35Å; Q1238-Q1242 PolarHBondContact O-N 3.06Å; L1239-Q1242 PolarHBondContact O-N 3.43Å; Q1242-A1244 VanDerWaalsContact C-N 3.27Å; Q1242-A1244 PolarHBondContact O-N 3.36Å; Q1242-T1245 PolarHBondContact O-N 2.88Å; Q1242-T1245 PolarHBondContact O-OG1 3.23Å; Q1242-L1287 HydrophobicContact CB-CD1 4.19Å; Q1242-L1287 HydrophobicContact CB-CD2 3.8Å |
| 1243 | M | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67 | -27.2 | 177 | -71.1 | -150 | 91.6 | 0 | 0 | 112.7 | L1239 K1240 T1245 V1246 C1247 L1252 L1255 F1256 L1287 I1288 W1291 | L1239-M1243 HydrophobicContact CD1-CG 4.06Å; L1239-M1243 HydrophobicContact CG-CG 4.11Å; L1239-M1243 HydrophobicContact CG-SD 4.48Å; L1239-M1243 WeakPolarHBondContact O-CB 3.38Å; L1239-M1243 VanDerWaalsContact O-CG 3.3Å; L1239-M1243 WeakPolarHBondContact O-CG 3.22Å; L1239-M1243 PolarHBondContact O-N 2.88Å; K1240-M1243 PolarHBondContact O-N 2.82Å; M1243-T1245 PolarHBondContact O-N 3.29Å; M1243-V1246 PolarHBondContact O-N 3.11Å; M1243-C1247 WeakPolarHBondContact O-CB 3.43Å; M1243-C1247 PolarHBondContact O-N 3.01Å; M1243-L1252 HydrophobicContact CB-CD1 3.77Å; M1243-L1255 HydrophobicContact CE-CD1 3.98Å; M1243-L1255 HydrophobicContact SD-CD1 3.98Å; M1243-F1256 HydrophobicContact CB-CE2 4.25Å; M1243-F1256 HydrophobicContact CG-CE2 4.45Å; M1243-F1256 HydrophobicContact SD-CE2 4.12Å; M1243-F1256 HydrophobicContact SD-CZ 4.29Å; M1243-L1287 HydrophobicContact CE-CB 4.27Å; M1243-L1287 HydrophobicContact CG-CB 4.17Å; M1243-I1288 HydrophobicContact CE-CG1 4.38Å; M1243-W1291 HydrophobicContact SD-CB 3.95Å; M1243-W1291 HydrophobicContact SD-CG 4.28Å |
| 1244 | A | 91.1 | Very high | 91.2 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -23.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1240 V1241 Q1242 V1246 L1252 | K1240-A1244 PolarHBondContact O-N 3.44Å; V1241-A1244 WeakPolarHBondContact O-CB 3.38Å; V1241-A1244 PolarHBondContact O-N 2.9Å; Q1242-A1244 VanDerWaalsContact C-N 3.27Å; Q1242-A1244 PolarHBondContact O-N 3.36Å; A1244-V1246 VanDerWaalsContact C-N 3.26Å; A1244-V1246 PolarHBondContact O-N 3.46Å; A1244-L1252 HydrophobicContact CB-CD1 4.38Å; A1244-L1252 HydrophobicContact CB-CD2 3.63Å |
| 1245 | T | 88.3 | Confident | 91.4 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -14.5 | 175.3 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | Q1242 M1243 | Q1242-T1245 PolarHBondContact O-N 2.88Å; Q1242-T1245 PolarHBondContact O-OG1 3.23Å; M1243-T1245 PolarHBondContact O-N 3.29Å |
| 1246 | V | 87.7 | Confident | 91.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -35.6 | -170.7 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | L1203 S1204 V1206 M1243 A1244 S1284 L1287 | L1203-V1246 HydrophobicContact CD2-CG1 4.25Å; S1204-V1246 WeakPolarHBondContact CB-O 3.46Å; S1204-V1246 PolarHBondContact N-O 3.17Å; S1204-V1246 PolarHBondContact OG-O 3.08Å; V1206-V1246 HydrophobicContact CG2-CB 4.18Å; V1206-V1246 HydrophobicContact CG2-CG1 4.04Å; V1206-V1246 HydrophobicContact CG2-CG2 3.93Å; M1243-V1246 PolarHBondContact O-N 3.11Å; A1244-V1246 VanDerWaalsContact C-N 3.26Å; A1244-V1246 PolarHBondContact O-N 3.46Å; V1246-S1284 VanDerWaalsContact CG1-CB 3.49Å; V1246-S1284 WeakPolarHBondContact CG1-OG 2.7Å; V1246-L1287 HydrophobicContact CG2-CD1 3.59Å |
| 1247 | C | 88.7 | Confident | 91.3 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -97.9 | 139.6 | -176.6 | -62.5 | 0 | 0 | 0 | 0 | 110.7 | M1243 L1251 L1252 | M1243-C1247 WeakPolarHBondContact O-CB 3.43Å; M1243-C1247 PolarHBondContact O-N 3.01Å; C1247-L1251 HydrophobicContact CB-CB 4.39Å; C1247-L1251 HydrophobicContact CB-CD2 4.03Å; C1247-L1251 HydrophobicContact CB-CG 4.3Å; C1247-L1252 HydrophobicContact CB-CB 4.34Å |
| 1248 | K | 87.7 | Confident | 90.9 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 39% | 0.391 | 29% | 0.285 | S | S | . | . | trans | -62.4 | 152.6 | 165.1 | -64.8 | -174.5 | -172.5 | 172.1 | 0 | 110.1 | S1199 C1201 C1202 E1250 L1251 L1252 | S1199-K1248 PolarHBondContact O-NZ 3.13Å; S1199-K1248 VanDerWaalsContact O-NZ 3.14Å; C1201-K1248 WeakPolarHBondContact O-CE 3.32Å; C1201-K1248 PolarHBondContact O-NZ 3.33Å; C1202-K1248 PolarHBondContact O-N 3.09Å; C1202-K1248 VanDerWaalsContact O-N 3.07Å; K1248-E1250 VanDerWaalsContact C-N 3.26Å; K1248-E1250 PolarHBondContact O-N 3.45Å; K1248-E1250 VanDerWaalsContact O-N 3.14Å; K1248-L1251 PolarHBondContact O-N 3.4Å; K1248-L1251 VanDerWaalsContact O-N 3.09Å; K1248-L1252 PolarHBondContact O-N 3.33Å | ||
| 1249 | G | 84.5 | Confident | 90.5 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -55.8 | -34.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1252 T1253 | G1249-L1252 PolarHBondContact O-N 3.08Å; G1249-T1253 PolarHBondContact O-N 3.2Å; G1249-T1253 PolarHBondContact O-OG1 3.36Å |
| 1250 | E | 88.1 | Confident | 90 | Very high | 149 Ų | 149 | 55.6 Ų | 55.6 | 70% | 0.696 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.1 | -52.4 | 175.4 | -174.4 | -177.4 | 177 | 0 | 0 | 111.6 | K1248 L1252 T1253 L1254 | K1248-E1250 VanDerWaalsContact C-N 3.26Å; K1248-E1250 PolarHBondContact O-N 3.45Å; K1248-E1250 VanDerWaalsContact O-N 3.14Å; E1250-L1252 VanDerWaalsContact C-N 3.34Å; E1250-L1252 PolarHBondContact O-N 3.41Å; E1250-T1253 PolarHBondContact O-N 3.29Å; E1250-L1254 HydrophobicContact CG-CD1 4.44Å; E1250-L1254 WeakPolarHBondContact O-CG 3.48Å; E1250-L1254 PolarHBondContact O-N 3.43Å; E1250-L1254 VanDerWaalsContact O-N 3.11Å |
| 1251 | L | 91.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.3 | 177.1 | 63.9 | 0 | 0 | 0 | 111.3 | C1202 L1203 C1247 K1248 T1253 L1254 L1255 A1266 L1269 L1270 | C1202-L1251 HydrophobicContact CB-CB 4.32Å; C1202-L1251 HydrophobicContact CB-CD2 4.23Å; L1203-L1251 HydrophobicContact CD2-CD2 4.05Å; C1247-L1251 HydrophobicContact CB-CB 4.39Å; C1247-L1251 HydrophobicContact CB-CD2 4.03Å; C1247-L1251 HydrophobicContact CB-CG 4.3Å; K1248-L1251 PolarHBondContact O-N 3.4Å; K1248-L1251 VanDerWaalsContact O-N 3.09Å; L1251-T1253 VanDerWaalsContact C-N 3.27Å; L1251-T1253 PolarHBondContact O-N 3.23Å; L1251-L1254 PolarHBondContact O-N 3.08Å; L1251-L1255 HydrophobicContact CD1-CD1 4.15Å; L1251-L1255 HydrophobicContact CD1-CD2 4.4Å; L1251-L1255 HydrophobicContact CD1-CG 3.96Å; L1251-L1255 HydrophobicContact CD2-CD1 4.29Å; L1251-L1255 HydrophobicContact CG-CD1 3.78Å; L1251-L1255 HydrophobicContact CG-CG 4.1Å; L1251-L1255 WeakPolarHBondContact O-CB 3.41Å; L1251-L1255 VanDerWaalsContact O-CG 3.3Å; L1251-L1255 WeakPolarHBondContact O-CG 3.49Å; L1251-L1255 PolarHBondContact O-N 2.85Å; L1251-A1266 HydrophobicContact CD1-CB 4.24Å; L1251-L1269 HydrophobicContact CD1-CB 4.12Å; L1251-L1269 HydrophobicContact CD1-CD1 4.46Å; L1251-L1270 HydrophobicContact CD1-CG 4.27Å; L1251-L1270 HydrophobicContact CD2-CD2 3.87Å; L1251-L1270 HydrophobicContact CD2-CG 4.37Å |
| 1252 | L | 92.3 | Very high | 89.6 | Confident | 28 Ų | 28 | 57.3 Ų | 57.3 | 15% | 0.147 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 178 | -171.2 | 72.3 | 0 | 0 | 0 | 111.7 | M1243 A1244 C1247 K1248 G1249 E1250 F1256 | M1243-L1252 HydrophobicContact CB-CD1 3.77Å; A1244-L1252 HydrophobicContact CB-CD1 4.38Å; A1244-L1252 HydrophobicContact CB-CD2 3.63Å; C1247-L1252 HydrophobicContact CB-CB 4.34Å; K1248-L1252 PolarHBondContact O-N 3.33Å; G1249-L1252 PolarHBondContact O-N 3.08Å; E1250-L1252 VanDerWaalsContact C-N 3.34Å; E1250-L1252 PolarHBondContact O-N 3.41Å; L1252-F1256 HydrophobicContact CD1-CD2 4.12Å; L1252-F1256 HydrophobicContact CD1-CE2 3.97Å; L1252-F1256 WeakPolarHBondContact O-CD2 3.36Å; L1252-F1256 PolarHBondContact O-N 3.23Å |
| 1253 | T | 91 | Very high | 89.4 | Confident | 104 Ų | 104 | 56.7 Ų | 56.7 | 64% | 0.638 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 177.7 | -55 | 0 | 0 | 0 | 0 | 111.3 | G1249 E1250 L1251 S1257 | G1249-T1253 PolarHBondContact O-N 3.2Å; G1249-T1253 PolarHBondContact O-OG1 3.36Å; E1250-T1253 PolarHBondContact O-N 3.29Å; L1251-T1253 VanDerWaalsContact C-N 3.27Å; L1251-T1253 PolarHBondContact O-N 3.23Å; T1253-S1257 PolarHBondContact O-N 3.4Å |
| 1254 | L | 93.1 | Very high | 89.4 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 178.5 | -65.4 | 172.7 | 0 | 0 | 0 | 112.6 | E1250 L1251 F1256 S1257 H1262 K1265 A1266 L1269 | E1250-L1254 HydrophobicContact CG-CD1 4.44Å; E1250-L1254 WeakPolarHBondContact O-CG 3.48Å; E1250-L1254 PolarHBondContact O-N 3.43Å; E1250-L1254 VanDerWaalsContact O-N 3.11Å; L1251-L1254 PolarHBondContact O-N 3.08Å; L1254-F1256 VanDerWaalsContact C-N 3.31Å; L1254-F1256 PolarHBondContact O-N 3.36Å; L1254-S1257 WeakPolarHBondContact O-CB 3.5Å; L1254-S1257 PolarHBondContact O-N 2.89Å; L1254-H1262 HydrophobicContact CD2-CB 3.78Å; L1254-H1262 WeakPolarHBondContact CD2-CD2 3.13Å; L1254-K1265 HydrophobicContact CD1-CG 4.19Å; L1254-A1266 HydrophobicContact CB-CB 3.79Å; L1254-L1269 HydrophobicContact CD1-CD1 3.54Å |
| 1255 | L | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.2 | -36.3 | -178.7 | -76.6 | 171.2 | 0 | 0 | 0 | 113.1 | M1243 L1251 A1266 L1270 W1291 | M1243-L1255 HydrophobicContact CE-CD1 3.98Å; M1243-L1255 HydrophobicContact SD-CD1 3.98Å; L1251-L1255 HydrophobicContact CD1-CD1 4.15Å; L1251-L1255 HydrophobicContact CD1-CD2 4.4Å; L1251-L1255 HydrophobicContact CD1-CG 3.96Å; L1251-L1255 HydrophobicContact CD2-CD1 4.29Å; L1251-L1255 HydrophobicContact CG-CD1 3.78Å; L1251-L1255 HydrophobicContact CG-CG 4.1Å; L1251-L1255 WeakPolarHBondContact O-CB 3.41Å; L1251-L1255 VanDerWaalsContact O-CG 3.3Å; L1251-L1255 WeakPolarHBondContact O-CG 3.49Å; L1251-L1255 PolarHBondContact O-N 2.85Å; L1255-A1266 HydrophobicContact CD2-CB 3.74Å; L1255-A1266 HydrophobicContact CG-CB 4.08Å; L1255-L1270 HydrophobicContact CD2-CD1 3.68Å; L1255-L1270 HydrophobicContact CD2-CG 4.46Å; L1255-W1291 HydrophobicContact CB-CZ2 4.48Å; L1255-W1291 HydrophobicContact CD2-CD2 3.7Å; L1255-W1291 HydrophobicContact CD2-CE3 4.1Å; L1255-W1291 HydrophobicContact CD2-CG 4.25Å; L1255-W1291 HydrophobicContact CD2-CH2 3.95Å; L1255-W1291 HydrophobicContact CD2-CZ2 3.53Å; L1255-W1291 HydrophobicContact CD2-CZ3 4.21Å; L1255-W1291 PolarHBondContact O-NE1 3.28Å |
| 1256 | F | 93.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 17% | 0.167 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 16.2 | -178.4 | -67.1 | -89 | 0 | 0 | 0 | 112.8 | V1236 L1239 K1240 M1243 L1252 L1254 L1294 | V1236-F1256 HydrophobicContact CG1-CD1 3.92Å; V1236-F1256 HydrophobicContact CG1-CE1 4.02Å; L1239-F1256 HydrophobicContact CB-CZ 4.42Å; L1239-F1256 HydrophobicContact CD2-CZ 4.26Å; L1239-F1256 HydrophobicContact CG-CZ 4.1Å; K1240-F1256 VanDerWaalsContact CA-CZ 3.44Å; K1240-F1256 HydrophobicContact CB-CD1 4.06Å; K1240-F1256 HydrophobicContact CB-CD2 4.3Å; K1240-F1256 HydrophobicContact CB-CE1 3.77Å; K1240-F1256 HydrophobicContact CB-CE2 4.04Å; K1240-F1256 HydrophobicContact CB-CG 4.32Å; K1240-F1256 HydrophobicContact CB-CZ 3.76Å; K1240-F1256 HydrophobicContact CD-CB 4.31Å; K1240-F1256 HydrophobicContact CD-CD1 4.29Å; K1240-F1256 HydrophobicContact CD-CD2 4.45Å; K1240-F1256 HydrophobicContact CD-CG 4.1Å; K1240-F1256 HydrophobicContact CG-CD1 4.23Å; K1240-F1256 HydrophobicContact CG-CD2 3.91Å; K1240-F1256 HydrophobicContact CG-CE1 4.36Å; K1240-F1256 HydrophobicContact CG-CE2 4.06Å; K1240-F1256 HydrophobicContact CG-CG 4.01Å; K1240-F1256 HydrophobicContact CG-CZ 4.28Å; M1243-F1256 HydrophobicContact CB-CE2 4.25Å; M1243-F1256 HydrophobicContact CG-CE2 4.45Å; M1243-F1256 HydrophobicContact SD-CE2 4.12Å; M1243-F1256 HydrophobicContact SD-CZ 4.29Å; L1252-F1256 HydrophobicContact CD1-CD2 4.12Å; L1252-F1256 HydrophobicContact CD1-CE2 3.97Å; L1252-F1256 WeakPolarHBondContact O-CD2 3.36Å; L1252-F1256 PolarHBondContact O-N 3.23Å; L1254-F1256 VanDerWaalsContact C-N 3.31Å; L1254-F1256 PolarHBondContact O-N 3.36Å; F1256-L1294 HydrophobicContact CE1-CD1 4.44Å |
| 1257 | S | 90.2 | Very high | 90 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | trans | -71.4 | 140.3 | 172.4 | -176.9 | 0 | 0 | 0 | 0 | 111 | T1253 L1254 E1259 H1262 Q1263 | T1253-S1257 PolarHBondContact O-N 3.4Å; L1254-S1257 WeakPolarHBondContact O-CB 3.5Å; L1254-S1257 PolarHBondContact O-N 2.89Å; S1257-E1259 PolarHBondContact O-N 3.18Å; S1257-E1259 PolarHBondContact OG-N 3.03Å; S1257-H1262 VanDerWaalsContact CB-CB 3.45Å; S1257-H1262 WeakPolarHBondContact OG-CB 3.48Å; S1257-H1262 PolarHBondContact OG-ND1 3.11Å; S1257-Q1263 PolarHBondContact O-NE2 3.29Å | ||
| 1258 | A | 84.2 | Confident | 90.3 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 84% | 0.843 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -74.4 | -15.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1259 | E | 86 | Confident | 90.5 | Very high | 114 Ų | 114 | 58 Ų | 58 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -87.7 | 129.8 | -177.7 | -61.3 | -170.2 | 176.2 | 0 | 0 | 112.5 | S1257 K1261 H1262 Q1263 | S1257-E1259 PolarHBondContact O-N 3.18Å; S1257-E1259 PolarHBondContact OG-N 3.03Å; E1259-K1261 VanDerWaalsContact C-N 3.27Å; E1259-K1261 PolarHBondContact O-N 3.47Å; E1259-H1262 WeakPolarHBondContact CB-ND1 3.42Å; E1259-H1262 PolarHBondContact O-N 3.32Å; E1259-H1262 VanDerWaalsContact O-N 3.13Å; E1259-H1262 IonicContact OE2-CE1 3.81Å; E1259-H1262 PolarHBondContact OE2-CE1 3.31Å; E1259-H1262 IonicContact OE2-ND1 2.85Å; E1259-H1262 PolarHBondContact OE2-ND1 2.88Å; E1259-H1262 VanDerWaalsContact OE2-ND1 3.07Å; E1259-Q1263 PolarHBondContact O-N 3.46Å; E1259-Q1263 VanDerWaalsContact O-N 3.16Å |
| 1260 | M | 85 | Confident | 90.9 | Very high | 80 Ų | 80 | 55.6 Ų | 55.6 | 39% | 0.394 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.7 | -40.4 | 178.6 | -179.4 | -167.5 | 70.2 | 0 | 0 | 113.5 | H1262 Q1263 L1264 N1300 V1303 | M1260-H1262 VanDerWaalsContact C-N 3.34Å; M1260-H1262 PolarHBondContact O-N 3.35Å; M1260-Q1263 PolarHBondContact O-N 2.95Å; M1260-L1264 HydrophobicContact CE-CD1 4.43Å; M1260-L1264 HydrophobicContact CG-CD1 4.04Å; M1260-L1264 HydrophobicContact CG-CG 4.42Å; M1260-L1264 WeakPolarHBondContact O-CG 3.35Å; M1260-L1264 PolarHBondContact O-N 3.44Å; M1260-L1264 HydrophobicContact SD-CD1 4.5Å; M1260-N1300 WeakPolarHBondContact CG-ND2 3.47Å; M1260-N1300 PolarHBondContact SD-ND2 3.46Å; M1260-V1303 HydrophobicContact CG-CG2 3.73Å |
| 1261 | K | 88 | Confident | 91.1 | Very high | 162 Ų | 162 | 50.9 Ų | 50.9 | 70% | 0.704 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | -178.2 | -68.4 | -178.6 | -178.5 | 175.7 | 0 | 111.7 | E1259 L1264 K1265 | E1259-K1261 VanDerWaalsContact C-N 3.27Å; E1259-K1261 PolarHBondContact O-N 3.47Å; K1261-L1264 PolarHBondContact O-N 3.5Å; K1261-K1265 WeakPolarHBondContact O-CB 3.47Å; K1261-K1265 PolarHBondContact O-N 3.25Å |
| 1262 | H | 91.8 | Very high | 91 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 176.5 | -67.2 | 126.3 | 0 | 0 | 0 | 111.7 | L1254 S1257 E1259 M1260 K1265 A1266 | L1254-H1262 HydrophobicContact CD2-CB 3.78Å; L1254-H1262 WeakPolarHBondContact CD2-CD2 3.13Å; S1257-H1262 VanDerWaalsContact CB-CB 3.45Å; S1257-H1262 WeakPolarHBondContact OG-CB 3.48Å; S1257-H1262 PolarHBondContact OG-ND1 3.11Å; E1259-H1262 WeakPolarHBondContact CB-ND1 3.42Å; E1259-H1262 PolarHBondContact O-N 3.32Å; E1259-H1262 VanDerWaalsContact O-N 3.13Å; E1259-H1262 IonicContact OE2-CE1 3.81Å; E1259-H1262 PolarHBondContact OE2-CE1 3.31Å; E1259-H1262 IonicContact OE2-ND1 2.85Å; E1259-H1262 PolarHBondContact OE2-ND1 2.88Å; E1259-H1262 VanDerWaalsContact OE2-ND1 3.07Å; M1260-H1262 VanDerWaalsContact C-N 3.34Å; M1260-H1262 PolarHBondContact O-N 3.35Å; H1262-K1265 PolarHBondContact O-N 2.96Å; H1262-A1266 WeakPolarHBondContact O-CB 3.46Å; H1262-A1266 PolarHBondContact O-N 3.04Å |
| 1263 | Q | 89.8 | Confident | 90.8 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.6 | -65 | 167.1 | 3.1 | 0 | 0 | 112.1 | S1257 E1259 M1260 K1265 A1266 I1267 E1298 | S1257-Q1263 PolarHBondContact O-NE2 3.29Å; E1259-Q1263 PolarHBondContact O-N 3.46Å; E1259-Q1263 VanDerWaalsContact O-N 3.16Å; M1260-Q1263 PolarHBondContact O-N 2.95Å; Q1263-K1265 VanDerWaalsContact C-N 3.31Å; Q1263-K1265 PolarHBondContact O-N 2.96Å; Q1263-A1266 WeakPolarHBondContact O-CB 3.3Å; Q1263-A1266 PolarHBondContact O-N 2.91Å; Q1263-I1267 WeakPolarHBondContact O-CG1 3.45Å; Q1263-I1267 PolarHBondContact O-N 3.2Å; Q1263-E1298 PolarHBondContact OE1-OE2 2.96Å |
| 1264 | L | 92.2 | Very high | 90.7 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.3 | -69.9 | 170.8 | 0 | 0 | 0 | 111.1 | M1260 K1261 I1267 E1268 V1303 K1306 | M1260-L1264 HydrophobicContact CE-CD1 4.43Å; M1260-L1264 HydrophobicContact CG-CD1 4.04Å; M1260-L1264 HydrophobicContact CG-CG 4.42Å; M1260-L1264 WeakPolarHBondContact O-CG 3.35Å; M1260-L1264 PolarHBondContact O-N 3.44Å; M1260-L1264 HydrophobicContact SD-CD1 4.5Å; K1261-L1264 PolarHBondContact O-N 3.5Å; L1264-I1267 PolarHBondContact O-N 3.38Å; L1264-E1268 PolarHBondContact O-N 2.71Å; L1264-V1303 HydrophobicContact CD2-CG2 4.24Å; L1264-V1303 HydrophobicContact CG-CG2 4.35Å; L1264-K1306 HydrophobicContact CD2-CB 3.97Å; L1264-K1306 HydrophobicContact CD2-CG 3.75Å |
| 1265 | K | 93.4 | Very high | 90.4 | Very high | 92 Ų | 92 | 54 Ų | 54 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 175.7 | -170.1 | 66.5 | -165.4 | 165.3 | 0 | 112.7 | L1254 K1261 H1262 Q1263 I1267 E1268 L1269 | L1254-K1265 HydrophobicContact CD1-CG 4.19Å; K1261-K1265 WeakPolarHBondContact O-CB 3.47Å; K1261-K1265 PolarHBondContact O-N 3.25Å; H1262-K1265 PolarHBondContact O-N 2.96Å; Q1263-K1265 VanDerWaalsContact C-N 3.31Å; Q1263-K1265 PolarHBondContact O-N 2.96Å; K1265-I1267 VanDerWaalsContact C-N 3.31Å; K1265-I1267 PolarHBondContact O-N 3.22Å; K1265-E1268 WeakPolarHBondContact CD-OE2 3.27Å; K1265-E1268 IonicContact NZ-OE2 3.15Å; K1265-E1268 PolarHBondContact NZ-OE2 2.96Å; K1265-E1268 PolarHBondContact O-N 3.3Å; K1265-L1269 WeakPolarHBondContact O-CG 3.44Å; K1265-L1269 PolarHBondContact O-N 3Å |
| 1266 | A | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1251 L1254 L1255 H1262 Q1263 L1269 L1270 | L1251-A1266 HydrophobicContact CD1-CB 4.24Å; L1254-A1266 HydrophobicContact CB-CB 3.79Å; L1255-A1266 HydrophobicContact CD2-CB 3.74Å; L1255-A1266 HydrophobicContact CG-CB 4.08Å; H1262-A1266 WeakPolarHBondContact O-CB 3.46Å; H1262-A1266 PolarHBondContact O-N 3.04Å; Q1263-A1266 WeakPolarHBondContact O-CB 3.3Å; Q1263-A1266 PolarHBondContact O-N 2.91Å; A1266-L1269 PolarHBondContact O-N 3.28Å; A1266-L1270 WeakPolarHBondContact O-CB 3.49Å; A1266-L1270 PolarHBondContact O-N 3.11Å |
| 1267 | I | 94.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 176.6 | -68.4 | 165.6 | 0 | 0 | 0 | 110.8 | Q1263 L1264 K1265 L1269 L1270 M1271 W1291 V1303 K1306 C1307 L1310 | Q1263-I1267 WeakPolarHBondContact O-CG1 3.45Å; Q1263-I1267 PolarHBondContact O-N 3.2Å; L1264-I1267 PolarHBondContact O-N 3.38Å; K1265-I1267 VanDerWaalsContact C-N 3.31Å; K1265-I1267 PolarHBondContact O-N 3.22Å; I1267-L1269 PolarHBondContact O-N 2.88Å; I1267-L1270 PolarHBondContact O-N 3.43Å; I1267-M1271 HydrophobicContact CG2-CG 4.42Å; I1267-M1271 HydrophobicContact CG2-SD 4.12Å; I1267-M1271 WeakPolarHBondContact O-CG 3.37Å; I1267-M1271 PolarHBondContact O-N 3.5Å; I1267-W1291 HydrophobicContact CD1-CH2 4.19Å; I1267-W1291 HydrophobicContact CG1-CH2 3.73Å; I1267-W1291 HydrophobicContact CG1-CZ3 3.94Å; I1267-V1303 HydrophobicContact CD1-CG1 4.27Å; I1267-K1306 HydrophobicContact CD1-CB 4.05Å; I1267-K1306 HydrophobicContact CG2-CB 4.15Å; I1267-C1307 HydrophobicContact CD1-CB 4.27Å; I1267-L1310 HydrophobicContact CG2-CB 4.03Å; I1267-L1310 HydrophobicContact CG2-CD2 4.45Å |
| 1268 | E | 93.4 | Very high | 89.6 | Confident | 95 Ų | 95 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 175.7 | -72.9 | 175.8 | -175.5 | 0 | 0 | 112.2 | L1264 K1265 M1271 Q1272 | L1264-E1268 PolarHBondContact O-N 2.71Å; K1265-E1268 WeakPolarHBondContact CD-OE2 3.27Å; K1265-E1268 IonicContact NZ-OE2 3.15Å; K1265-E1268 PolarHBondContact NZ-OE2 2.96Å; K1265-E1268 PolarHBondContact O-N 3.3Å; E1268-M1271 PolarHBondContact O-N 2.91Å; E1268-Q1272 WeakPolarHBondContact O-CG 3.35Å; E1268-Q1272 PolarHBondContact O-N 3.18Å |
| 1269 | L | 92 | Very high | 89.8 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 178.7 | -71.3 | 175.3 | 0 | 0 | 0 | 112 | L1251 L1254 K1265 A1266 I1267 Q1272 A1273 | L1251-L1269 HydrophobicContact CD1-CB 4.12Å; L1251-L1269 HydrophobicContact CD1-CD1 4.46Å; L1254-L1269 HydrophobicContact CD1-CD1 3.54Å; K1265-L1269 WeakPolarHBondContact O-CG 3.44Å; K1265-L1269 PolarHBondContact O-N 3Å; A1266-L1269 PolarHBondContact O-N 3.28Å; I1267-L1269 PolarHBondContact O-N 2.88Å; L1269-Q1272 PolarHBondContact O-N 2.94Å; L1269-A1273 WeakPolarHBondContact O-CB 3.27Å; L1269-A1273 PolarHBondContact O-N 3.23Å |
| 1270 | L | 92.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.1 | -81.6 | 176.9 | 0 | 0 | 0 | 111.9 | L1203 L1251 L1255 A1266 I1267 Q1272 A1273 I1274 I1288 L1310 | L1203-L1270 HydrophobicContact CD2-CD2 4.02Å; L1251-L1270 HydrophobicContact CD1-CG 4.27Å; L1251-L1270 HydrophobicContact CD2-CD2 3.87Å; L1251-L1270 HydrophobicContact CD2-CG 4.37Å; L1255-L1270 HydrophobicContact CD2-CD1 3.68Å; L1255-L1270 HydrophobicContact CD2-CG 4.46Å; A1266-L1270 WeakPolarHBondContact O-CB 3.49Å; A1266-L1270 PolarHBondContact O-N 3.11Å; I1267-L1270 PolarHBondContact O-N 3.43Å; L1270-Q1272 VanDerWaalsContact C-N 3.32Å; L1270-Q1272 PolarHBondContact O-N 3.45Å; L1270-A1273 PolarHBondContact O-N 3.29Å; L1270-I1274 WeakPolarHBondContact O-CD1 3.23Å; L1270-I1274 VanDerWaalsContact O-CG1 3.27Å; L1270-I1274 WeakPolarHBondContact O-CG1 3.13Å; L1270-I1274 PolarHBondContact O-N 3.32Å; L1270-I1288 HydrophobicContact CD1-CG2 4.43Å; L1270-L1310 HydrophobicContact CB-CD1 3.81Å; L1270-L1310 HydrophobicContact CB-CD2 4.33Å; L1270-L1310 HydrophobicContact CD1-CD2 3.92Å |
| 1271 | M | 92.7 | Very high | 90 | Very high | 51 Ų | 51 | 48.4 Ų | 48.4 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -41.3 | 176.4 | -72.1 | 180 | 76.6 | 0 | 0 | 111.7 | I1267 E1268 C1275 E1309 L1310 | I1267-M1271 HydrophobicContact CG2-CG 4.42Å; I1267-M1271 HydrophobicContact CG2-SD 4.12Å; I1267-M1271 WeakPolarHBondContact O-CG 3.37Å; I1267-M1271 PolarHBondContact O-N 3.5Å; E1268-M1271 PolarHBondContact O-N 2.91Å; M1271-C1275 PolarHBondContact O-N 3.48Å; M1271-E1309 HydrophobicContact CE-CB 4.3Å; M1271-L1310 HydrophobicContact CG-CB 4.12Å; M1271-L1310 HydrophobicContact CG-CD1 3.67Å |
| 1272 | Q | 90.6 | Very high | 90.1 | Very high | 105 Ų | 105 | 41.3 Ų | 41.3 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 173.6 | -73.7 | 179.1 | -8.6 | 0 | 0 | 112.1 | E1268 L1269 L1270 I1274 C1275 Q1276 | E1268-Q1272 WeakPolarHBondContact O-CG 3.35Å; E1268-Q1272 PolarHBondContact O-N 3.18Å; L1269-Q1272 PolarHBondContact O-N 2.94Å; L1270-Q1272 VanDerWaalsContact C-N 3.32Å; L1270-Q1272 PolarHBondContact O-N 3.45Å; Q1272-I1274 PolarHBondContact O-N 2.91Å; Q1272-C1275 PolarHBondContact O-N 3.32Å; Q1272-Q1276 WeakPolarHBondContact O-CG 3.48Å; Q1272-Q1276 PolarHBondContact O-N 3.46Å |
| 1273 | A | 87.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1203 L1269 L1270 C1275 Q1276 C1277 | L1203-A1273 HydrophobicContact CD1-CB 3.83Å; L1203-A1273 HydrophobicContact CG-CB 3.92Å; L1269-A1273 WeakPolarHBondContact O-CB 3.27Å; L1269-A1273 PolarHBondContact O-N 3.23Å; L1270-A1273 PolarHBondContact O-N 3.29Å; A1273-C1275 PolarHBondContact O-N 3.05Å; A1273-Q1276 PolarHBondContact O-N 3.48Å; A1273-Q1276 VanDerWaalsContact O-N 3.08Å; A1273-C1277 PolarHBondContact O-N 3.34Å; A1273-C1277 PolarHBondContact O-SG 3.13Å |
| 1274 | I | 90 | Very high | 90.1 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 176.4 | -69.6 | 158.9 | 0 | 0 | 0 | 111.3 | L1270 Q1272 A1281 L1310 L1314 V1317 | L1270-I1274 WeakPolarHBondContact O-CD1 3.23Å; L1270-I1274 VanDerWaalsContact O-CG1 3.27Å; L1270-I1274 WeakPolarHBondContact O-CG1 3.13Å; L1270-I1274 PolarHBondContact O-N 3.32Å; Q1272-I1274 PolarHBondContact O-N 2.91Å; I1274-A1281 HydrophobicContact CG1-CB 4Å; I1274-L1310 HydrophobicContact CD1-CD1 3.39Å; I1274-L1314 HydrophobicContact CD1-CD1 4.44Å; I1274-L1314 HydrophobicContact CD1-CD2 3.4Å; I1274-L1314 VanDerWaalsContact CD1-CD2 3.4Å; I1274-L1314 HydrophobicContact CD1-CG 3.59Å; I1274-L1314 HydrophobicContact CG1-CD2 3.73Å; I1274-L1314 HydrophobicContact CG1-CG 4.45Å; I1274-V1317 HydrophobicContact CG2-CB 4.4Å; I1274-V1317 HydrophobicContact CG2-CG2 3.6Å |
| 1275 | C | 85.4 | Confident | 90.2 | Very high | 110 Ų | 110 | 37.1 Ų | 37.1 | 74% | 0.743 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -72.3 | -35.4 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | M1271 Q1272 A1273 | M1271-C1275 PolarHBondContact O-N 3.48Å; Q1272-C1275 PolarHBondContact O-N 3.32Å; A1273-C1275 PolarHBondContact O-N 3.05Å |
| 1276 | Q | 86.7 | Confident | 90.2 | Very high | 101 Ų | 101 | 32.7 Ų | 32.7 | 47% | 0.472 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -80.6 | -35.9 | -176.8 | -70.6 | 177.1 | 9.2 | 0 | 0 | 113.3 | S1200 Q1272 A1273 | S1200-Q1276 PolarHBondContact OG-NE2 3.47Å; S1200-Q1276 PolarHBondContact OG-OE1 2.92Å; S1200-Q1276 VanDerWaalsContact OG-OE1 3.08Å; Q1272-Q1276 WeakPolarHBondContact O-CG 3.48Å; Q1272-Q1276 PolarHBondContact O-N 3.46Å; A1273-Q1276 PolarHBondContact O-N 3.48Å; A1273-Q1276 VanDerWaalsContact O-N 3.08Å |
| 1277 | C | 86.7 | Confident | 90.2 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 14% | 0.142 | 17% | 0.172 | C | C | . | . | trans | -144 | 64.4 | -167.7 | 42.6 | 0 | 0 | 0 | 0 | 110.5 | C1201 A1273 E1279 S1280 A1281 | C1201-C1277 HydrophobicContact CB-CB 4.04Å; C1201-C1277 WeakPolarHBondContact CB-SG 3.38Å; C1201-C1277 WeakPolarHBondContact SG-CB 3.32Å; C1201-C1277 CovalentContact SG-SG 2.05Å; C1201-C1277 PolarHBondContact SG-SG 3.01Å; A1273-C1277 PolarHBondContact O-N 3.34Å; A1273-C1277 PolarHBondContact O-SG 3.13Å; C1277-E1279 VanDerWaalsContact C-N 3.29Å; C1277-E1279 PolarHBondContact O-N 3.36Å; C1277-S1280 PolarHBondContact O-N 3.01Å; C1277-A1281 PolarHBondContact O-N 3.11Å | ||
| 1278 | P | 87 | Confident | 90.2 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 17% | 0.169 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -35.4 | -174.4 | 23.4 | -33.8 | 0 | 0 | 0 | 113 | S1280 A1281 L1282 V1317 | P1278-S1280 PolarHBondContact O-N 3.45Å; P1278-A1281 WeakPolarHBondContact O-CB 3.26Å; P1278-A1281 PolarHBondContact O-N 3.41Å; P1278-L1282 WeakPolarHBondContact O-CG 3.46Å; P1278-L1282 PolarHBondContact O-N 3.33Å; P1278-V1317 HydrophobicContact CB-CG1 3.82Å |
| 1279 | E | 87.4 | Confident | 90.3 | Very high | 89 Ų | 89 | 28.1 Ų | 28.1 | 42% | 0.416 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.9 | -59.9 | -56.4 | 147.1 | 0 | 0 | 112.1 | C1277 A1281 L1282 N1283 R1321 | C1277-E1279 VanDerWaalsContact C-N 3.29Å; C1277-E1279 PolarHBondContact O-N 3.36Å; E1279-A1281 VanDerWaalsContact C-N 3.31Å; E1279-A1281 PolarHBondContact O-N 3.16Å; E1279-L1282 PolarHBondContact O-N 3.28Å; E1279-N1283 WeakPolarHBondContact O-CB 3.48Å; E1279-N1283 PolarHBondContact O-N 3.27Å; E1279-R1321 IonicContact OE1-CZ 3.26Å; E1279-R1321 IonicContact OE1-NH1 3.96Å; E1279-R1321 PolarHBondContact OE1-NH1 3.34Å; E1279-R1321 VanDerWaalsContact OE1-NH1 3.15Å |
| 1280 | S | 86 | Confident | 90.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | C1277 P1278 S1284 | C1277-S1280 PolarHBondContact O-N 3.01Å; P1278-S1280 PolarHBondContact O-N 3.45Å; S1280-S1284 WeakPolarHBondContact O-CB 3.47Å; S1280-S1284 PolarHBondContact O-N 3.4Å; S1280-S1284 PolarHBondContact O-OG 3.06Å |
| 1281 | A | 89.3 | Confident | 90.6 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1203 I1274 C1277 P1278 E1279 S1284 L1285 I1288 | L1203-A1281 HydrophobicContact CD1-CB 4.22Å; I1274-A1281 HydrophobicContact CG1-CB 4Å; C1277-A1281 PolarHBondContact O-N 3.11Å; P1278-A1281 WeakPolarHBondContact O-CB 3.26Å; P1278-A1281 PolarHBondContact O-N 3.41Å; E1279-A1281 VanDerWaalsContact C-N 3.31Å; E1279-A1281 PolarHBondContact O-N 3.16Å; A1281-S1284 CarbonylContact O-C 3.56Å; A1281-S1284 PolarHBondContact O-N 3.39Å; A1281-L1285 WeakPolarHBondContact O-CA 3.46Å; A1281-L1285 PolarHBondContact O-N 3.05Å; A1281-I1288 HydrophobicContact CB-CD1 4.47Å |
| 1282 | L | 91.1 | Very high | 90.7 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 7% | 0.068 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.5 | -40.6 | 176.5 | -69.1 | 177.5 | 0 | 0 | 0 | 112.4 | K1211 P1278 E1279 S1284 L1285 V1317 R1321 Y1323 | K1211-L1282 PolarHBondContact NZ-O 3.47Å; P1278-L1282 WeakPolarHBondContact O-CG 3.46Å; P1278-L1282 PolarHBondContact O-N 3.33Å; E1279-L1282 PolarHBondContact O-N 3.28Å; L1282-S1284 PolarHBondContact O-N 3.49Å; L1282-S1284 VanDerWaalsContact O-N 3.1Å; L1282-L1285 WeakPolarHBondContact O-CB 2.99Å; L1282-L1285 PolarHBondContact O-N 3.25Å; L1282-V1317 HydrophobicContact CD2-CG1 4.46Å; L1282-V1317 HydrophobicContact CG-CG1 4.48Å; L1282-R1321 HydrophobicContact CD1-CB 4.02Å; L1282-R1321 HydrophobicContact CD1-CG 4.03Å; L1282-Y1323 HydrophobicContact CD2-CD1 4.39Å; L1282-Y1323 HydrophobicContact CD2-CD2 4.44Å; L1282-Y1323 HydrophobicContact CD2-CG 4.1Å |
| 1283 | N | 90.8 | Very high | 90.8 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 17% | 0.171 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.2 | 175 | -71.9 | -17.8 | 0 | 0 | 0 | 113.7 | V1206 R1214 E1279 | V1206-N1283 PolarHBondContact O-ND2 3.04Å; R1214-N1283 PolarHBondContact NH2-O 3.43Å; R1214-N1283 VanDerWaalsContact NH2-O 3.14Å; E1279-N1283 WeakPolarHBondContact O-CB 3.48Å; E1279-N1283 PolarHBondContact O-N 3.27Å |
| 1284 | S | 90.6 | Very high | 91 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | 10.7 | -176.9 | -47 | 0 | 0 | 0 | 0 | 113.3 | V1246 S1280 A1281 L1282 D1286 L1287 I1288 | V1246-S1284 VanDerWaalsContact CG1-CB 3.49Å; V1246-S1284 WeakPolarHBondContact CG1-OG 2.7Å; S1280-S1284 WeakPolarHBondContact O-CB 3.47Å; S1280-S1284 PolarHBondContact O-N 3.4Å; S1280-S1284 PolarHBondContact O-OG 3.06Å; A1281-S1284 CarbonylContact O-C 3.56Å; A1281-S1284 PolarHBondContact O-N 3.39Å; L1282-S1284 PolarHBondContact O-N 3.49Å; L1282-S1284 VanDerWaalsContact O-N 3.1Å; S1284-D1286 PolarHBondContact O-N 3.44Å; S1284-L1287 PolarHBondContact O-N 3.45Å; S1284-I1288 WeakPolarHBondContact O-CG1 3.49Å; S1284-I1288 PolarHBondContact O-N 3.31Å; S1284-I1288 VanDerWaalsContact O-N 3.1Å |
| 1285 | L | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.3 | -41.2 | -173.5 | 179.5 | 65.7 | 0 | 0 | 0 | 111.5 | A1281 L1282 L1287 I1288 L1289 L1314 Y1323 | A1281-L1285 WeakPolarHBondContact O-CA 3.46Å; A1281-L1285 PolarHBondContact O-N 3.05Å; L1282-L1285 WeakPolarHBondContact O-CB 2.99Å; L1282-L1285 PolarHBondContact O-N 3.25Å; L1285-L1287 VanDerWaalsContact C-N 3.3Å; L1285-L1287 PolarHBondContact O-N 3.21Å; L1285-I1288 PolarHBondContact O-N 3.26Å; L1285-L1289 HydrophobicContact CD1-CD1 3.97Å; L1285-L1289 HydrophobicContact CD1-CD2 4.34Å; L1285-L1289 HydrophobicContact CD1-CG 3.91Å; L1285-L1289 HydrophobicContact CD2-CD1 4.4Å; L1285-L1289 HydrophobicContact CG-CD1 3.78Å; L1285-L1289 HydrophobicContact CG-CG 4.15Å; L1285-L1289 WeakPolarHBondContact O-CB 3.43Å; L1285-L1289 VanDerWaalsContact O-CG 3.23Å; L1285-L1289 WeakPolarHBondContact O-CG 3.47Å; L1285-L1289 PolarHBondContact O-N 3.42Å; L1285-L1314 HydrophobicContact CD1-CB 4.44Å; L1285-L1314 HydrophobicContact CD1-CD1 4.4Å; L1285-L1314 HydrophobicContact CD1-CD2 4.14Å; L1285-Y1323 HydrophobicContact CD2-CD1 3.91Å; L1285-Y1323 HydrophobicContact CD2-CE1 3.55Å |
| 1286 | D | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -54.8 | -43.2 | 176.4 | 63.2 | -54.7 | 0 | 0 | 0 | 112.4 | R1214 F1215 S1284 K1290 E1329 | R1214-D1286 IonicContact CZ-OD1 4Å; R1214-D1286 IonicContact CZ-OD2 2.71Å; R1214-D1286 IonicContact NE-OD1 3.06Å; R1214-D1286 IonicContact NE-OD2 2.73Å; R1214-D1286 PolarHBondContact NE-OD2 2.99Å; R1214-D1286 IonicContact NH2-OD1 2.69Å; R1214-D1286 PolarHBondContact NH2-OD1 3.33Å; R1214-D1286 IonicContact NH2-OD2 3.94Å; R1214-D1286 PolarHBondContact NH2-OD2 3.4Å; F1215-D1286 HydrophobicContact CE1-CB 3.9Å; F1215-D1286 HydrophobicContact CZ-CB 4.3Å; S1284-D1286 PolarHBondContact O-N 3.44Å; D1286-K1290 WeakPolarHBondContact O-CB 3.41Å; D1286-K1290 WeakPolarHBondContact O-CD 3.35Å; D1286-K1290 WeakPolarHBondContact O-CG 3.39Å; D1286-K1290 PolarHBondContact O-N 3.22Å; D1286-E1329 HydrophobicContact CB-CG 4.04Å |
| 1287 | L | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -75.9 | -39.8 | -179.1 | -59 | -176.1 | 0 | 0 | 0 | 112.3 | L1239 Q1242 M1243 V1246 S1284 L1285 K1290 W1291 | L1239-L1287 HydrophobicContact CD1-CB 4.47Å; L1239-L1287 HydrophobicContact CD1-CD2 4.05Å; Q1242-L1287 HydrophobicContact CB-CD1 4.19Å; Q1242-L1287 HydrophobicContact CB-CD2 3.8Å; M1243-L1287 HydrophobicContact CE-CB 4.27Å; M1243-L1287 HydrophobicContact CG-CB 4.17Å; V1246-L1287 HydrophobicContact CG2-CD1 3.59Å; S1284-L1287 PolarHBondContact O-N 3.45Å; L1285-L1287 VanDerWaalsContact C-N 3.3Å; L1285-L1287 PolarHBondContact O-N 3.21Å; L1287-K1290 PolarHBondContact O-N 3.41Å; L1287-W1291 PolarHBondContact O-N 2.93Å |
| 1288 | I | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 178.8 | -59.4 | 167.6 | 0 | 0 | 0 | 110.1 | M1243 L1270 A1281 S1284 L1285 W1291 C1292 L1314 | M1243-I1288 HydrophobicContact CE-CG1 4.38Å; L1270-I1288 HydrophobicContact CD1-CG2 4.43Å; A1281-I1288 HydrophobicContact CB-CD1 4.47Å; S1284-I1288 WeakPolarHBondContact O-CG1 3.49Å; S1284-I1288 PolarHBondContact O-N 3.31Å; S1284-I1288 VanDerWaalsContact O-N 3.1Å; L1285-I1288 PolarHBondContact O-N 3.26Å; I1288-W1291 PolarHBondContact O-N 2.84Å; I1288-C1292 PolarHBondContact O-N 3.44Å; I1288-C1292 PolarHBondContact O-SG 2.98Å; I1288-L1314 HydrophobicContact CB-CD1 4.49Å; I1288-L1314 HydrophobicContact CG2-CD1 3.64Å |
| 1289 | L | 95.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.9 | -45.2 | 175.4 | -68.9 | 177.6 | 0 | 0 | 0 | 111.4 | L1285 W1291 C1292 T1293 L1314 W1325 F1333 | L1285-L1289 HydrophobicContact CD1-CD1 3.97Å; L1285-L1289 HydrophobicContact CD1-CD2 4.34Å; L1285-L1289 HydrophobicContact CD1-CG 3.91Å; L1285-L1289 HydrophobicContact CD2-CD1 4.4Å; L1285-L1289 HydrophobicContact CG-CD1 3.78Å; L1285-L1289 HydrophobicContact CG-CG 4.15Å; L1285-L1289 WeakPolarHBondContact O-CB 3.43Å; L1285-L1289 VanDerWaalsContact O-CG 3.23Å; L1285-L1289 WeakPolarHBondContact O-CG 3.47Å; L1285-L1289 PolarHBondContact O-N 3.42Å; L1289-W1291 VanDerWaalsContact C-N 3.29Å; L1289-W1291 PolarHBondContact O-N 3.04Å; L1289-C1292 WeakPolarHBondContact O-CB 3.46Å; L1289-C1292 PolarHBondContact O-N 3.27Å; L1289-C1292 VanDerWaalsContact O-N 3.1Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.46Å; L1289-T1293 PolarHBondContact O-N 3.42Å; L1289-L1314 HydrophobicContact CD2-CD1 4.46Å; L1289-W1325 HydrophobicContact CD1-CH2 3.56Å; L1289-W1325 HydrophobicContact CD1-CZ2 3.92Å; L1289-W1325 HydrophobicContact CD1-CZ3 3.91Å; L1289-W1325 HydrophobicContact CD2-CH2 4.13Å; L1289-F1333 HydrophobicContact CB-CB 4.06Å; L1289-F1333 HydrophobicContact CB-CD2 3.81Å; L1289-F1333 HydrophobicContact CB-CG 4.08Å; L1289-F1333 HydrophobicContact CD1-CB 4.17Å; L1289-F1333 HydrophobicContact CD1-CG 4.25Å; L1289-F1333 HydrophobicContact CD2-CD1 4.22Å; L1289-F1333 HydrophobicContact CD2-CD2 3.75Å; L1289-F1333 HydrophobicContact CD2-CE1 4.26Å; L1289-F1333 HydrophobicContact CD2-CE2 3.83Å; L1289-F1333 HydrophobicContact CD2-CG 3.95Å; L1289-F1333 HydrophobicContact CD2-CZ 4.09Å; L1289-F1333 HydrophobicContact CG-CD2 4.27Å; L1289-F1333 HydrophobicContact CG-CG 4.32Å |
| 1290 | K | 95.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56.5 | -41.8 | 173.8 | -76.5 | 174.3 | 178.5 | 177.1 | 0 | 111.5 | E1218 W1226 L1239 D1286 L1287 T1293 L1294 | E1218-K1290 IonicContact OE2-NZ 2.69Å; E1218-K1290 PolarHBondContact OE2-NZ 2.96Å; W1226-K1290 HydrophobicContact CB-CD 4.41Å; W1226-K1290 HydrophobicContact CD2-CB 4.14Å; W1226-K1290 HydrophobicContact CD2-CD 3.77Å; W1226-K1290 HydrophobicContact CD2-CG 3.69Å; W1226-K1290 HydrophobicContact CE3-CD 4Å; W1226-K1290 HydrophobicContact CE3-CG 4.34Å; W1226-K1290 HydrophobicContact CG-CD 3.96Å; W1226-K1290 HydrophobicContact CG-CG 3.78Å; W1226-K1290 HydrophobicContact CH2-CB 4.35Å; W1226-K1290 HydrophobicContact CZ2-CB 3.77Å; W1226-K1290 HydrophobicContact CZ2-CG 4.26Å; L1239-K1290 HydrophobicContact CD1-CB 3.71Å; L1239-K1290 HydrophobicContact CD1-CD 4.37Å; L1239-K1290 HydrophobicContact CD2-CB 4.16Å; D1286-K1290 WeakPolarHBondContact O-CB 3.41Å; D1286-K1290 WeakPolarHBondContact O-CD 3.35Å; D1286-K1290 WeakPolarHBondContact O-CG 3.39Å; D1286-K1290 PolarHBondContact O-N 3.22Å; L1287-K1290 PolarHBondContact O-N 3.41Å; K1290-T1293 PolarHBondContact O-N 3.16Å; K1290-T1293 PolarHBondContact O-OG1 2.95Å; K1290-L1294 PolarHBondContact O-N 3.38Å |
| 1291 | W | 94.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.8 | -177.6 | 86.4 | 0 | 0 | 0 | 112.6 | L1239 M1243 L1255 I1267 L1287 I1288 L1289 T1293 L1294 R1295 L1310 | L1239-W1291 HydrophobicContact CD2-CB 3.99Å; M1243-W1291 HydrophobicContact SD-CB 3.95Å; M1243-W1291 HydrophobicContact SD-CG 4.28Å; L1255-W1291 HydrophobicContact CB-CZ2 4.48Å; L1255-W1291 HydrophobicContact CD2-CD2 3.7Å; L1255-W1291 HydrophobicContact CD2-CE3 4.1Å; L1255-W1291 HydrophobicContact CD2-CG 4.25Å; L1255-W1291 HydrophobicContact CD2-CH2 3.95Å; L1255-W1291 HydrophobicContact CD2-CZ2 3.53Å; L1255-W1291 HydrophobicContact CD2-CZ3 4.21Å; L1255-W1291 PolarHBondContact O-NE1 3.28Å; I1267-W1291 HydrophobicContact CD1-CH2 4.19Å; I1267-W1291 HydrophobicContact CG1-CH2 3.73Å; I1267-W1291 HydrophobicContact CG1-CZ3 3.94Å; L1287-W1291 PolarHBondContact O-N 2.93Å; I1288-W1291 PolarHBondContact O-N 2.84Å; L1289-W1291 VanDerWaalsContact C-N 3.29Å; L1289-W1291 PolarHBondContact O-N 3.04Å; W1291-T1293 VanDerWaalsContact C-N 3.26Å; W1291-T1293 PolarHBondContact O-N 3.39Å; W1291-L1294 WeakPolarHBondContact O-CB 3.48Å; W1291-L1294 PolarHBondContact O-N 3.34Å; W1291-L1294 VanDerWaalsContact O-N 3.1Å; W1291-R1295 HydrophobicContact CD2-CG 4.42Å; W1291-R1295 HydrophobicContact CE3-CG 4.24Å; W1291-R1295 HydrophobicContact CH2-CG 3.77Å; W1291-R1295 HydrophobicContact CZ2-CG 3.96Å; W1291-R1295 HydrophobicContact CZ3-CG 3.92Å; W1291-R1295 PolarHBondContact O-N 3.19Å; W1291-L1310 HydrophobicContact CZ3-CD2 4.33Å |
| 1292 | C | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -38.5 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | I1288 L1289 L1294 R1295 F1296 I1311 F1333 | I1288-C1292 PolarHBondContact O-N 3.44Å; I1288-C1292 PolarHBondContact O-SG 2.98Å; L1289-C1292 WeakPolarHBondContact O-CB 3.46Å; L1289-C1292 PolarHBondContact O-N 3.27Å; L1289-C1292 VanDerWaalsContact O-N 3.1Å; C1292-L1294 VanDerWaalsContact C-N 3.27Å; C1292-L1294 PolarHBondContact O-N 3.14Å; C1292-R1295 WeakPolarHBondContact O-CB 3.46Å; C1292-R1295 PolarHBondContact O-N 3.48Å; C1292-R1295 VanDerWaalsContact O-N 3.08Å; C1292-F1296 WeakPolarHBondContact O-CD1 3.41Å; C1292-F1296 PolarHBondContact O-N 2.98Å; C1292-I1311 HydrophobicContact CB-CD1 4.07Å; C1292-I1311 HydrophobicContact CB-CG1 4.29Å; C1292-F1333 HydrophobicContact CB-CE2 4.31Å |
| 1293 | T | 94.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.1 | -32 | 176.5 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | W1226 L1289 K1290 W1291 R1295 F1296 F1297 S1332 F1333 F1336 | W1226-T1293 PolarHBondContact NE1-OG1 3.16Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.46Å; L1289-T1293 PolarHBondContact O-N 3.42Å; K1290-T1293 PolarHBondContact O-N 3.16Å; K1290-T1293 PolarHBondContact O-OG1 2.95Å; W1291-T1293 VanDerWaalsContact C-N 3.26Å; W1291-T1293 PolarHBondContact O-N 3.39Å; T1293-R1295 VanDerWaalsContact C-N 3.34Å; T1293-F1296 WeakPolarHBondContact O-CB 3.44Å; T1293-F1296 PolarHBondContact O-N 3.31Å; T1293-F1297 VanDerWaalsContact O-CD2 3.23Å; T1293-F1297 WeakPolarHBondContact O-CD2 3.35Å; T1293-S1332 WeakPolarHBondContact CG2-O 3.29Å; T1293-F1333 HydrophobicContact CG2-CD2 3.84Å; T1293-F1336 HydrophobicContact CG2-CB 3.83Å; T1293-F1336 HydrophobicContact CG2-CD2 3.74Å; T1293-F1336 HydrophobicContact CG2-CG 3.93Å |
| 1294 | L | 91.3 | Very high | 88.8 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 174 | -62.4 | -177.3 | 0 | 0 | 0 | 111.4 | W1226 F1228 P1231 V1236 L1239 F1256 K1290 W1291 C1292 F1296 F1297 | W1226-L1294 HydrophobicContact CH2-CD2 4.18Å; W1226-L1294 HydrophobicContact CH2-CG 4.47Å; W1226-L1294 HydrophobicContact CZ2-CD2 3.88Å; W1226-L1294 HydrophobicContact CZ2-CG 4.12Å; F1228-L1294 HydrophobicContact CZ-CD2 4.1Å; P1231-L1294 HydrophobicContact CB-CD2 3.52Å; P1231-L1294 HydrophobicContact CG-CD2 3.96Å; V1236-L1294 HydrophobicContact CG2-CD1 4.21Å; V1236-L1294 HydrophobicContact CG2-CD2 4.33Å; L1239-L1294 HydrophobicContact CD2-CD1 3.67Å; L1239-L1294 HydrophobicContact CD2-CG 4.27Å; F1256-L1294 HydrophobicContact CE1-CD1 4.44Å; K1290-L1294 PolarHBondContact O-N 3.38Å; W1291-L1294 WeakPolarHBondContact O-CB 3.48Å; W1291-L1294 PolarHBondContact O-N 3.34Å; W1291-L1294 VanDerWaalsContact O-N 3.1Å; C1292-L1294 VanDerWaalsContact C-N 3.27Å; C1292-L1294 PolarHBondContact O-N 3.14Å; L1294-F1296 PolarHBondContact O-N 2.96Å; L1294-F1297 PolarHBondContact O-N 3.19Å |
| 1295 | R | 90.3 | Very high | 88.8 | Confident | 25 Ų | 25 | 27 Ų | 27 | 9% | 0.094 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.4 | -27 | 178.4 | -58.5 | -57.2 | 93.5 | -167 | -2 | 112.3 | W1291 C1292 T1293 F1297 E1298 | W1291-R1295 HydrophobicContact CD2-CG 4.42Å; W1291-R1295 HydrophobicContact CE3-CG 4.24Å; W1291-R1295 HydrophobicContact CH2-CG 3.77Å; W1291-R1295 HydrophobicContact CZ2-CG 3.96Å; W1291-R1295 HydrophobicContact CZ3-CG 3.92Å; W1291-R1295 PolarHBondContact O-N 3.19Å; C1292-R1295 WeakPolarHBondContact O-CB 3.46Å; C1292-R1295 PolarHBondContact O-N 3.48Å; C1292-R1295 VanDerWaalsContact O-N 3.08Å; T1293-R1295 VanDerWaalsContact C-N 3.34Å; R1295-F1297 PolarHBondContact O-N 3.41Å; R1295-E1298 VanDerWaalsContact CZ-CD 3.46Å; R1295-E1298 IonicContact CZ-OE1 3.74Å; R1295-E1298 IonicContact CZ-OE2 2.61Å; R1295-E1298 IonicContact NE-OE2 3.98Å; R1295-E1298 IonicContact NH1-OE1 2.77Å; R1295-E1298 PolarHBondContact NH1-OE1 2.92Å; R1295-E1298 IonicContact NH1-OE2 3.74Å; R1295-E1298 PolarHBondContact NH1-OE2 3.06Å; R1295-E1298 IonicContact NH2-OE1 3.67Å; R1295-E1298 PolarHBondContact NH2-OE1 3.39Å; R1295-E1298 PolarHBondContact O-N 3.38Å; R1295-E1298 VanDerWaalsContact O-N 3.13Å |
| 1296 | F | 90.3 | Very high | 88.8 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22 | 175.4 | -64.2 | -13.4 | 0 | 0 | 0 | 112.8 | C1292 T1293 L1294 E1298 L1304 L1308 I1311 F1333 F1336 L1337 K1340 | C1292-F1296 WeakPolarHBondContact O-CD1 3.41Å; C1292-F1296 PolarHBondContact O-N 2.98Å; T1293-F1296 WeakPolarHBondContact O-CB 3.44Å; T1293-F1296 PolarHBondContact O-N 3.31Å; L1294-F1296 PolarHBondContact O-N 2.96Å; F1296-E1298 VanDerWaalsContact C-N 3.32Å; F1296-L1304 HydrophobicContact CD1-CD1 3.69Å; F1296-L1304 HydrophobicContact CE1-CD1 4.11Å; F1296-L1308 HydrophobicContact CE1-CD2 4.36Å; F1296-I1311 HydrophobicContact CE1-CD1 3.88Å; F1296-I1311 HydrophobicContact CZ-CD1 3.57Å; F1296-F1333 AromaticContact CE2-CE2 3.91Å; F1296-F1333 HydrophobicContact CE2-CE2 3.91Å; F1296-F1333 HydrophobicContact CE2-CZ 4.41Å; F1296-F1333 AromaticContact CZ-CE2 3.89Å; F1296-F1333 HydrophobicContact CZ-CE2 3.89Å; F1296-F1333 HydrophobicContact CZ-CZ 4.22Å; F1296-F1336 HydrophobicContact CD2-CB 3.96Å; F1296-F1336 HydrophobicContact CE2-CB 4.46Å; F1296-L1337 HydrophobicContact CE2-CB 4.08Å; F1296-L1337 HydrophobicContact CE2-CD1 4.18Å; F1296-L1337 HydrophobicContact CZ-CD1 3.93Å; F1296-K1340 HydrophobicContact CB-CG 4.31Å; F1296-K1340 HydrophobicContact CD1-CG 4.46Å; F1296-K1340 HydrophobicContact CD2-CG 4.42Å; F1296-K1340 HydrophobicContact CG-CG 4.17Å; F1296-K1340 WeakPolarHBondContact O-CE 3.11Å; F1296-K1340 PolarHBondContact O-NZ 2.85Å |
| 1297 | F | 85.3 | Confident | 88.8 | Confident | 69 Ų | 69 | 31.2 Ų | 31.2 | 30% | 0.303 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.7 | 177.5 | -69.2 | -86.4 | 0 | 0 | 0 | 114 | F1228 A1229 T1230 P1231 T1293 L1294 R1295 F1336 | F1228-F1297 HydrophobicContact CD2-CE2 4.26Å; F1228-F1297 HydrophobicContact CD2-CZ 4.3Å; F1228-F1297 HydrophobicContact CE2-CD2 4.32Å; F1228-F1297 AromaticContact CE2-CE2 3.68Å; F1228-F1297 HydrophobicContact CE2-CE2 3.68Å; F1228-F1297 HydrophobicContact CE2-CZ 4.18Å; A1229-F1297 WeakPolarHBondContact O-CE1 3.34Å; T1230-F1297 HydrophobicContact CG2-CD1 4.41Å; P1231-F1297 HydrophobicContact CG-CB 4.35Å; P1231-F1297 HydrophobicContact CG-CD2 4.08Å; P1231-F1297 HydrophobicContact CG-CG 4.21Å; T1293-F1297 VanDerWaalsContact O-CD2 3.23Å; T1293-F1297 WeakPolarHBondContact O-CD2 3.35Å; L1294-F1297 PolarHBondContact O-N 3.19Å; R1295-F1297 PolarHBondContact O-N 3.41Å; F1297-F1336 AromaticContact CE2-CD1 3.73Å; F1297-F1336 HydrophobicContact CE2-CD1 3.73Å; F1297-F1336 HydrophobicContact CE2-CE1 4.13Å; F1297-F1336 AromaticContact CZ-CD1 3.81Å; F1297-F1336 HydrophobicContact CZ-CD1 3.81Å; F1297-F1336 HydrophobicContact CZ-CE1 4.12Å |
| 1298 | E | 77.2 | Confident | 88.8 | Confident | 66 Ų | 66 | 31.4 Ų | 31.4 | 31% | 0.308 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -90 | 145.8 | 179.6 | -59.4 | -171.8 | 154.4 | 0 | 0 | 111.8 | Q1263 R1295 F1296 N1300 | Q1263-E1298 PolarHBondContact OE1-OE2 2.96Å; R1295-E1298 VanDerWaalsContact CZ-CD 3.46Å; R1295-E1298 IonicContact CZ-OE1 3.74Å; R1295-E1298 IonicContact CZ-OE2 2.61Å; R1295-E1298 IonicContact NE-OE2 3.98Å; R1295-E1298 IonicContact NH1-OE1 2.77Å; R1295-E1298 PolarHBondContact NH1-OE1 2.92Å; R1295-E1298 IonicContact NH1-OE2 3.74Å; R1295-E1298 PolarHBondContact NH1-OE2 3.06Å; R1295-E1298 IonicContact NH2-OE1 3.67Å; R1295-E1298 PolarHBondContact NH2-OE1 3.39Å; R1295-E1298 PolarHBondContact O-N 3.38Å; R1295-E1298 VanDerWaalsContact O-N 3.13Å; F1296-E1298 VanDerWaalsContact C-N 3.32Å; E1298-N1300 PolarHBondContact O-N 3.35Å |
| 1299 | T | 64.7 | Low | 88.8 | Confident | 147 Ų | 147 | 34.6 Ų | 34.6 | 90% | 0.902 | 18% | 0.184 | S | C | * | . | trans | -81.1 | 4.8 | -176.9 | 45 | 0 | 0 | 0 | 0 | 113.9 | P1301 | T1299-P1301 VanDerWaalsContact O-CD 3.25Å; T1299-P1301 WeakPolarHBondContact O-CD 3.45Å | ||
| 1300 | N | 79.2 | Confident | 88.7 | Confident | 43 Ų | 43 | 34.5 Ų | 34.5 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | trans | -88.6 | 110.3 | -173.3 | -168.3 | -36.5 | 0 | 0 | 0 | 112.3 | M1260 E1298 S1302 V1303 L1304 | M1260-N1300 WeakPolarHBondContact CG-ND2 3.47Å; M1260-N1300 PolarHBondContact SD-ND2 3.46Å; E1298-N1300 PolarHBondContact O-N 3.35Å; N1300-S1302 VanDerWaalsContact C-N 3.32Å; N1300-S1302 PolarHBondContact O-N 3.09Å; N1300-S1302 WeakPolarHBondContact OD1-CB 3.41Å; N1300-S1302 PolarHBondContact OD1-N 2.91Å; N1300-V1303 HydrophobicContact CB-CB 4.26Å; N1300-V1303 HydrophobicContact CB-CG2 4.16Å; N1300-V1303 PolarHBondContact OD1-N 3.01Å; N1300-L1304 PolarHBondContact O-N 3Å; N1300-L1304 VanDerWaalsContact O-N 3.14Å | ||
| 1301 | P | 82 | Confident | 88.7 | Confident | 59 Ų | 59 | 34.5 Ų | 34.5 | 38% | 0.383 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.8 | -30.6 | -176.9 | -19.5 | 33.7 | 0 | 0 | 0 | 113.4 | T1299 L1304 I1305 | T1299-P1301 VanDerWaalsContact O-CD 3.25Å; T1299-P1301 WeakPolarHBondContact O-CD 3.45Å; P1301-L1304 PolarHBondContact O-N 3.25Å; P1301-I1305 WeakPolarHBondContact O-CB 3.4Å; P1301-I1305 WeakPolarHBondContact O-CD1 2.94Å; P1301-I1305 WeakPolarHBondContact O-CG1 3.41Å; P1301-I1305 PolarHBondContact O-N 3.44Å |
| 1302 | S | 85.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 47% | 0.469 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.7 | -43.5 | -177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | N1300 L1304 I1305 K1306 | N1300-S1302 VanDerWaalsContact C-N 3.32Å; N1300-S1302 PolarHBondContact O-N 3.09Å; N1300-S1302 WeakPolarHBondContact OD1-CB 3.41Å; N1300-S1302 PolarHBondContact OD1-N 2.91Å; S1302-L1304 VanDerWaalsContact C-N 3.34Å; S1302-I1305 PolarHBondContact O-N 3.22Å; S1302-K1306 PolarHBondContact O-N 3.38Å; S1302-K1306 VanDerWaalsContact O-N 3.07Å |
| 1303 | V | 89 | Confident | 88.6 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 110 | M1260 L1264 I1267 N1300 K1306 C1307 | M1260-V1303 HydrophobicContact CG-CG2 3.73Å; L1264-V1303 HydrophobicContact CD2-CG2 4.24Å; L1264-V1303 HydrophobicContact CG-CG2 4.35Å; I1267-V1303 HydrophobicContact CD1-CG1 4.27Å; N1300-V1303 HydrophobicContact CB-CB 4.26Å; N1300-V1303 HydrophobicContact CB-CG2 4.16Å; N1300-V1303 PolarHBondContact OD1-N 3.01Å; V1303-K1306 PolarHBondContact O-N 2.91Å; V1303-C1307 WeakPolarHBondContact O-CB 3.33Å; V1303-C1307 PolarHBondContact O-N 3.48Å |
| 1304 | L | 89.5 | Confident | 88.6 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 176.8 | -178 | 62.4 | 0 | 0 | 0 | 112.1 | F1296 N1300 P1301 S1302 C1307 L1308 I1348 | F1296-L1304 HydrophobicContact CD1-CD1 3.69Å; F1296-L1304 HydrophobicContact CE1-CD1 4.11Å; N1300-L1304 PolarHBondContact O-N 3Å; N1300-L1304 VanDerWaalsContact O-N 3.14Å; P1301-L1304 PolarHBondContact O-N 3.25Å; S1302-L1304 VanDerWaalsContact C-N 3.34Å; L1304-C1307 PolarHBondContact O-N 3.15Å; L1304-L1308 HydrophobicContact CD1-CG 4.48Å; L1304-L1308 HydrophobicContact CG-CD1 4.32Å; L1304-L1308 VanDerWaalsContact O-CG 3.29Å; L1304-L1308 WeakPolarHBondContact O-CG 3.49Å; L1304-L1308 PolarHBondContact O-N 3.27Å; L1304-I1348 HydrophobicContact CD2-CD1 4.09Å |
| 1305 | I | 90.3 | Very high | 88.8 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 35% | 0.354 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 178.3 | -70.1 | 163.6 | 0 | 0 | 0 | 110.7 | P1301 S1302 C1307 L1308 E1309 | P1301-I1305 WeakPolarHBondContact O-CB 3.4Å; P1301-I1305 WeakPolarHBondContact O-CD1 2.94Å; P1301-I1305 WeakPolarHBondContact O-CG1 3.41Å; P1301-I1305 PolarHBondContact O-N 3.44Å; S1302-I1305 PolarHBondContact O-N 3.22Å; I1305-C1307 VanDerWaalsContact C-N 3.35Å; I1305-C1307 PolarHBondContact O-N 3.34Å; I1305-L1308 PolarHBondContact O-N 3.45Å; I1305-E1309 PolarHBondContact O-N 3.32Å |
| 1306 | K | 92.8 | Very high | 88.9 | Confident | 87 Ų | 87 | 44.8 Ų | 44.8 | 38% | 0.378 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.5 | -36.2 | 177.1 | -72 | -54.4 | -169.8 | -179.5 | 0 | 113.2 | L1264 I1267 S1302 V1303 L1308 E1309 L1310 | L1264-K1306 HydrophobicContact CD2-CB 3.97Å; L1264-K1306 HydrophobicContact CD2-CG 3.75Å; I1267-K1306 HydrophobicContact CD1-CB 4.05Å; I1267-K1306 HydrophobicContact CG2-CB 4.15Å; S1302-K1306 PolarHBondContact O-N 3.38Å; S1302-K1306 VanDerWaalsContact O-N 3.07Å; V1303-K1306 PolarHBondContact O-N 2.91Å; K1306-L1308 VanDerWaalsContact C-N 3.33Å; K1306-E1309 WeakPolarHBondContact CD-OE2 3.42Å; K1306-E1309 WeakPolarHBondContact CE-OE2 3.34Å; K1306-E1309 IonicContact NZ-OE1 3.71Å; K1306-E1309 IonicContact NZ-OE2 2.94Å; K1306-E1309 PolarHBondContact NZ-OE2 3.07Å; K1306-E1309 WeakPolarHBondContact O-CB 3.45Å; K1306-E1309 PolarHBondContact O-N 2.93Å; K1306-L1310 PolarHBondContact O-N 3.4Å |
| 1307 | C | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 174 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | I1267 V1303 L1304 I1305 L1310 I1311 | I1267-C1307 HydrophobicContact CD1-CB 4.27Å; V1303-C1307 WeakPolarHBondContact O-CB 3.33Å; V1303-C1307 PolarHBondContact O-N 3.48Å; L1304-C1307 PolarHBondContact O-N 3.15Å; I1305-C1307 VanDerWaalsContact C-N 3.35Å; I1305-C1307 PolarHBondContact O-N 3.34Å; C1307-L1310 WeakPolarHBondContact O-CB 3.46Å; C1307-L1310 PolarHBondContact O-N 3.32Å; C1307-I1311 WeakPolarHBondContact O-CD1 3.39Å; C1307-I1311 WeakPolarHBondContact O-CG1 3.36Å; C1307-I1311 PolarHBondContact O-N 2.99Å |
| 1308 | L | 94.4 | Very high | 89.4 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 173.3 | -67.7 | 171 | 0 | 0 | 0 | 112 | F1296 L1304 I1305 K1306 L1310 I1311 Q1312 L1337 I1348 T1351 I1352 M1355 | F1296-L1308 HydrophobicContact CE1-CD2 4.36Å; L1304-L1308 HydrophobicContact CD1-CG 4.48Å; L1304-L1308 HydrophobicContact CG-CD1 4.32Å; L1304-L1308 VanDerWaalsContact O-CG 3.29Å; L1304-L1308 WeakPolarHBondContact O-CG 3.49Å; L1304-L1308 PolarHBondContact O-N 3.27Å; I1305-L1308 PolarHBondContact O-N 3.45Å; K1306-L1308 VanDerWaalsContact C-N 3.33Å; L1308-L1310 VanDerWaalsContact C-N 3.33Å; L1308-L1310 PolarHBondContact O-N 3.12Å; L1308-I1311 HydrophobicContact CD2-CD1 4.23Å; L1308-I1311 PolarHBondContact O-N 2.92Å; L1308-Q1312 WeakPolarHBondContact O-CG 3.39Å; L1308-Q1312 PolarHBondContact O-N 3.42Å; L1308-L1337 HydrophobicContact CD2-CD1 4.14Å; L1308-I1348 HydrophobicContact CD1-CG2 3.86Å; L1308-T1351 HydrophobicContact CB-CG2 4.11Å; L1308-T1351 HydrophobicContact CD1-CG2 4.42Å; L1308-I1352 HydrophobicContact CD2-CG1 4.21Å; L1308-M1355 HydrophobicContact CB-CE 3.79Å; L1308-M1355 HydrophobicContact CD2-CE 3.76Å; L1308-M1355 HydrophobicContact CD2-SD 3.92Å; L1308-M1355 HydrophobicContact CG-CE 4.37Å; L1308-M1355 WeakPolarHBondContact O-CE 3.33Å |
| 1309 | E | 94.6 | Very high | 90 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59 | -43.1 | 172.8 | -70.4 | 173.4 | -166.8 | 0 | 0 | 111.8 | M1271 I1305 K1306 I1311 Q1312 S1313 | M1271-E1309 HydrophobicContact CE-CB 4.3Å; I1305-E1309 PolarHBondContact O-N 3.32Å; K1306-E1309 WeakPolarHBondContact CD-OE2 3.42Å; K1306-E1309 WeakPolarHBondContact CE-OE2 3.34Å; K1306-E1309 IonicContact NZ-OE1 3.71Å; K1306-E1309 IonicContact NZ-OE2 2.94Å; K1306-E1309 PolarHBondContact NZ-OE2 3.07Å; K1306-E1309 WeakPolarHBondContact O-CB 3.45Å; K1306-E1309 PolarHBondContact O-N 2.93Å; E1309-I1311 PolarHBondContact O-N 3.19Å; E1309-Q1312 PolarHBondContact O-N 2.81Å; E1309-S1313 PolarHBondContact O-N 2.59Å; E1309-S1313 PolarHBondContact O-OG 2.93Å |
| 1310 | L | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 174 | 171.3 | 67.2 | 0 | 0 | 0 | 112.1 | I1267 L1270 M1271 I1274 W1291 K1306 C1307 L1308 Q1312 S1313 L1314 | I1267-L1310 HydrophobicContact CG2-CB 4.03Å; I1267-L1310 HydrophobicContact CG2-CD2 4.45Å; L1270-L1310 HydrophobicContact CB-CD1 3.81Å; L1270-L1310 HydrophobicContact CB-CD2 4.33Å; L1270-L1310 HydrophobicContact CD1-CD2 3.92Å; M1271-L1310 HydrophobicContact CG-CB 4.12Å; M1271-L1310 HydrophobicContact CG-CD1 3.67Å; I1274-L1310 HydrophobicContact CD1-CD1 3.39Å; W1291-L1310 HydrophobicContact CZ3-CD2 4.33Å; K1306-L1310 PolarHBondContact O-N 3.4Å; C1307-L1310 WeakPolarHBondContact O-CB 3.46Å; C1307-L1310 PolarHBondContact O-N 3.32Å; L1308-L1310 VanDerWaalsContact C-N 3.33Å; L1308-L1310 PolarHBondContact O-N 3.12Å; L1310-Q1312 VanDerWaalsContact C-N 3.34Å; L1310-Q1312 PolarHBondContact O-N 3.36Å; L1310-S1313 PolarHBondContact O-N 2.72Å; L1310-L1314 HydrophobicContact CG-CD1 4.42Å; L1310-L1314 PolarHBondContact O-N 3.42Å |
| 1311 | I | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 177.8 | -67 | 156.4 | 0 | 0 | 0 | 110.9 | C1292 F1296 C1307 L1308 E1309 S1313 L1314 L1315 F1333 M1355 | C1292-I1311 HydrophobicContact CB-CD1 4.07Å; C1292-I1311 HydrophobicContact CB-CG1 4.29Å; F1296-I1311 HydrophobicContact CE1-CD1 3.88Å; F1296-I1311 HydrophobicContact CZ-CD1 3.57Å; C1307-I1311 WeakPolarHBondContact O-CD1 3.39Å; C1307-I1311 WeakPolarHBondContact O-CG1 3.36Å; C1307-I1311 PolarHBondContact O-N 2.99Å; L1308-I1311 HydrophobicContact CD2-CD1 4.23Å; L1308-I1311 PolarHBondContact O-N 2.92Å; E1309-I1311 PolarHBondContact O-N 3.19Å; I1311-S1313 VanDerWaalsContact C-N 3.31Å; I1311-S1313 PolarHBondContact O-N 2.96Å; I1311-L1314 PolarHBondContact O-N 3.31Å; I1311-L1315 HydrophobicContact CG2-CD1 3.92Å; I1311-L1315 HydrophobicContact CG2-CG 4.28Å; I1311-L1315 WeakPolarHBondContact O-CG 3.46Å; I1311-L1315 PolarHBondContact O-N 3.06Å; I1311-F1333 HydrophobicContact CD1-CE2 3.92Å; I1311-F1333 HydrophobicContact CD1-CZ 3.79Å; I1311-F1333 HydrophobicContact CG1-CE2 4.29Å; I1311-F1333 HydrophobicContact CG1-CZ 4.09Å; I1311-F1333 HydrophobicContact CG2-CE1 4.36Å; I1311-F1333 HydrophobicContact CG2-CZ 3.8Å; I1311-M1355 HydrophobicContact CB-CE 3.75Å; I1311-M1355 HydrophobicContact CB-SD 4.48Å; I1311-M1355 HydrophobicContact CG2-CE 3.73Å; I1311-M1355 HydrophobicContact CG2-SD 3.88Å |
| 1312 | Q | 94.5 | Very high | 91.8 | Very high | 45 Ų | 45 | 52 Ų | 52 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.9 | -68.9 | -165.8 | -35.6 | 0 | 0 | 111.6 | L1308 E1309 L1310 L1315 R1316 T1351 M1355 | L1308-Q1312 WeakPolarHBondContact O-CG 3.39Å; L1308-Q1312 PolarHBondContact O-N 3.42Å; E1309-Q1312 PolarHBondContact O-N 2.81Å; L1310-Q1312 VanDerWaalsContact C-N 3.34Å; L1310-Q1312 PolarHBondContact O-N 3.36Å; Q1312-L1315 PolarHBondContact O-N 3.17Å; Q1312-R1316 WeakPolarHBondContact O-CG 3.42Å; Q1312-R1316 PolarHBondContact O-N 3.46Å; Q1312-T1351 HydrophobicContact CG-CG2 4.44Å; Q1312-M1355 HydrophobicContact CB-CE 4.42Å; Q1312-M1355 HydrophobicContact CG-CE 3.36Å; Q1312-M1355 HydrophobicContact CG-CG 4.19Å |
| 1313 | S | 92.7 | Very high | 92.1 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 174.7 | -66 | 0 | 0 | 0 | 0 | 112.2 | E1309 L1310 I1311 R1316 V1317 | E1309-S1313 PolarHBondContact O-N 2.59Å; E1309-S1313 PolarHBondContact O-OG 2.93Å; L1310-S1313 PolarHBondContact O-N 2.72Å; I1311-S1313 VanDerWaalsContact C-N 3.31Å; I1311-S1313 PolarHBondContact O-N 2.96Å; S1313-R1316 PolarHBondContact O-N 2.87Å; S1313-V1317 PolarHBondContact O-N 3.36Å; S1313-V1317 VanDerWaalsContact O-N 3.15Å |
| 1314 | L | 94.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 174.9 | -74.7 | 167.5 | 0 | 0 | 0 | 112.1 | I1274 L1285 I1288 L1289 L1310 I1311 R1316 V1317 C1318 | I1274-L1314 HydrophobicContact CD1-CD1 4.44Å; I1274-L1314 HydrophobicContact CD1-CD2 3.4Å; I1274-L1314 VanDerWaalsContact CD1-CD2 3.4Å; I1274-L1314 HydrophobicContact CD1-CG 3.59Å; I1274-L1314 HydrophobicContact CG1-CD2 3.73Å; I1274-L1314 HydrophobicContact CG1-CG 4.45Å; L1285-L1314 HydrophobicContact CD1-CB 4.44Å; L1285-L1314 HydrophobicContact CD1-CD1 4.4Å; L1285-L1314 HydrophobicContact CD1-CD2 4.14Å; I1288-L1314 HydrophobicContact CB-CD1 4.49Å; I1288-L1314 HydrophobicContact CG2-CD1 3.64Å; L1289-L1314 HydrophobicContact CD2-CD1 4.46Å; L1310-L1314 HydrophobicContact CG-CD1 4.42Å; L1310-L1314 PolarHBondContact O-N 3.42Å; I1311-L1314 PolarHBondContact O-N 3.31Å; L1314-R1316 VanDerWaalsContact C-N 3.34Å; L1314-R1316 PolarHBondContact O-N 3.16Å; L1314-V1317 PolarHBondContact O-N 3.15Å; L1314-C1318 PolarHBondContact O-N 3.34Å; L1314-C1318 PolarHBondContact O-SG 3.22Å |
| 1315 | L | 94.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.1 | -72 | 171.1 | 0 | 0 | 0 | 111.5 | I1311 Q1312 V1317 C1318 V1319 W1325 M1355 I1359 L1362 | I1311-L1315 HydrophobicContact CG2-CD1 3.92Å; I1311-L1315 HydrophobicContact CG2-CG 4.28Å; I1311-L1315 WeakPolarHBondContact O-CG 3.46Å; I1311-L1315 PolarHBondContact O-N 3.06Å; Q1312-L1315 PolarHBondContact O-N 3.17Å; L1315-V1317 PolarHBondContact O-N 3.39Å; L1315-C1318 WeakPolarHBondContact O-CB 3.46Å; L1315-C1318 PolarHBondContact O-N 2.94Å; L1315-V1319 WeakPolarHBondContact O-CG2 3.31Å; L1315-V1319 PolarHBondContact O-N 3.14Å; L1315-W1325 HydrophobicContact CD2-CH2 4.11Å; L1315-W1325 HydrophobicContact CD2-CZ2 3.45Å; L1315-W1325 VanDerWaalsContact CD2-CZ2 3.45Å; L1315-M1355 HydrophobicContact CD1-CB 3.78Å; L1315-M1355 HydrophobicContact CD1-CG 3.78Å; L1315-I1359 HydrophobicContact CD1-CG1 4.39Å; L1315-I1359 HydrophobicContact CD2-CG1 3.81Å; L1315-L1362 HydrophobicContact CD2-CD1 3.64Å |
| 1316 | R | 92.9 | Very high | 92.3 | Very high | 161 Ų | 161 | 56.1 Ų | 56.1 | 61% | 0.608 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.5 | -48.2 | 174.3 | -75.2 | 179.1 | -168.3 | -172.6 | 5 | 111.8 | Q1312 S1313 L1314 C1318 V1319 E1320 | Q1312-R1316 WeakPolarHBondContact O-CG 3.42Å; Q1312-R1316 PolarHBondContact O-N 3.46Å; S1313-R1316 PolarHBondContact O-N 2.87Å; L1314-R1316 VanDerWaalsContact C-N 3.34Å; L1314-R1316 PolarHBondContact O-N 3.16Å; R1316-C1318 VanDerWaalsContact C-N 3.3Å; R1316-C1318 PolarHBondContact O-N 2.96Å; R1316-V1319 PolarHBondContact O-N 3.25Å; R1316-E1320 WeakPolarHBondContact O-CB 3.33Å; R1316-E1320 VanDerWaalsContact O-CG 3.32Å; R1316-E1320 WeakPolarHBondContact O-CG 3.44Å; R1316-E1320 PolarHBondContact O-N 2.88Å |
| 1317 | V | 92.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | I1274 P1278 L1282 S1313 L1314 L1315 R1321 | I1274-V1317 HydrophobicContact CG2-CB 4.4Å; I1274-V1317 HydrophobicContact CG2-CG2 3.6Å; P1278-V1317 HydrophobicContact CB-CG1 3.82Å; L1282-V1317 HydrophobicContact CD2-CG1 4.46Å; L1282-V1317 HydrophobicContact CG-CG1 4.48Å; S1313-V1317 PolarHBondContact O-N 3.36Å; S1313-V1317 VanDerWaalsContact O-N 3.15Å; L1314-V1317 PolarHBondContact O-N 3.15Å; L1315-V1317 PolarHBondContact O-N 3.39Å; V1317-R1321 HydrophobicContact CG1-CG 4.27Å; V1317-R1321 VanDerWaalsContact O-CB 3.29Å; V1317-R1321 WeakPolarHBondContact O-CB 3.37Å; V1317-R1321 VanDerWaalsContact O-CG 3.24Å; V1317-R1321 WeakPolarHBondContact O-CG 3.5Å; V1317-R1321 PolarHBondContact O-N 3.16Å |
| 1318 | C | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 174.7 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | L1314 L1315 R1316 R1321 Q1322 Y1323 L1362 | L1314-C1318 PolarHBondContact O-N 3.34Å; L1314-C1318 PolarHBondContact O-SG 3.22Å; L1315-C1318 WeakPolarHBondContact O-CB 3.46Å; L1315-C1318 PolarHBondContact O-N 2.94Å; R1316-C1318 VanDerWaalsContact C-N 3.3Å; R1316-C1318 PolarHBondContact O-N 2.96Å; C1318-R1321 CarbonylContact O-C 3.52Å; C1318-R1321 PolarHBondContact O-N 3.4Å; C1318-Q1322 PolarHBondContact O-N 3.16Å; C1318-Y1323 PolarHBondContact O-N 3.36Å; C1318-L1362 HydrophobicContact CB-CD1 3.62Å; C1318-L1362 HydrophobicContact CB-CD2 3.77Å; C1318-L1362 HydrophobicContact CB-CG 4.36Å |
| 1319 | V | 90.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 62 Ų | 62 | 42% | 0.418 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L1315 R1316 R1321 Q1322 L1362 | L1315-V1319 WeakPolarHBondContact O-CG2 3.31Å; L1315-V1319 PolarHBondContact O-N 3.14Å; R1316-V1319 PolarHBondContact O-N 3.25Å; V1319-R1321 PolarHBondContact O-N 3.34Å; V1319-Q1322 PolarHBondContact O-N 2.94Å; V1319-L1362 HydrophobicContact CB-CD2 4.4Å; V1319-L1362 HydrophobicContact CG2-CD1 4.06Å; V1319-L1362 HydrophobicContact CG2-CD2 3.76Å; V1319-L1362 HydrophobicContact CG2-CG 3.92Å |
| 1320 | E | 89.6 | Confident | 91.8 | Very high | 145 Ų | 145 | 59 Ų | 59 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.5 | -35.7 | 177 | -74.8 | 171.2 | -169.2 | 0 | 0 | 112.2 | R1316 | R1316-E1320 WeakPolarHBondContact O-CB 3.33Å; R1316-E1320 VanDerWaalsContact O-CG 3.32Å; R1316-E1320 WeakPolarHBondContact O-CG 3.44Å; R1316-E1320 PolarHBondContact O-N 2.88Å |
| 1321 | R | 89 | Confident | 91.7 | Very high | 137 Ų | 137 | 59.6 Ų | 59.6 | 52% | 0.517 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.4 | 179 | -61.5 | -68.1 | 177.1 | 152.5 | -6.4 | 113.8 | E1279 L1282 V1317 C1318 V1319 Y1323 | E1279-R1321 IonicContact OE1-CZ 3.26Å; E1279-R1321 IonicContact OE1-NH1 3.96Å; E1279-R1321 PolarHBondContact OE1-NH1 3.34Å; E1279-R1321 VanDerWaalsContact OE1-NH1 3.15Å; L1282-R1321 HydrophobicContact CD1-CB 4.02Å; L1282-R1321 HydrophobicContact CD1-CG 4.03Å; V1317-R1321 HydrophobicContact CG1-CG 4.27Å; V1317-R1321 VanDerWaalsContact O-CB 3.29Å; V1317-R1321 WeakPolarHBondContact O-CB 3.37Å; V1317-R1321 VanDerWaalsContact O-CG 3.24Å; V1317-R1321 WeakPolarHBondContact O-CG 3.5Å; V1317-R1321 PolarHBondContact O-N 3.16Å; C1318-R1321 CarbonylContact O-C 3.52Å; C1318-R1321 PolarHBondContact O-N 3.4Å; V1319-R1321 PolarHBondContact O-N 3.34Å; R1321-Y1323 PolarHBondContact O-N 3.5Å; R1321-Y1323 VanDerWaalsContact O-N 3.1Å |
| 1322 | Q | 86.5 | Confident | 91.5 | Very high | 172 Ų | 172 | 59.7 Ų | 59.7 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 36.9 | -175.6 | -59.9 | -176.5 | -10.2 | 0 | 0 | 112.7 | C1318 V1319 T1324 | C1318-Q1322 PolarHBondContact O-N 3.16Å; V1319-Q1322 PolarHBondContact O-N 2.94Å; Q1322-T1324 PolarHBondContact O-N 2.89Å |
| 1323 | Y | 91.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 21% | 0.212 | 27% | 0.272 | C | S | . | . | trans | -73.4 | 114.3 | -176 | -176.9 | -102.1 | 0 | 0 | 0 | 110.6 | K1211 L1282 L1285 C1318 R1321 W1325 E1329 L1362 | K1211-Y1323 PolarHBondContact NZ-OH 3.15Å; L1282-Y1323 HydrophobicContact CD2-CD1 4.39Å; L1282-Y1323 HydrophobicContact CD2-CD2 4.44Å; L1282-Y1323 HydrophobicContact CD2-CG 4.1Å; L1285-Y1323 HydrophobicContact CD2-CD1 3.91Å; L1285-Y1323 HydrophobicContact CD2-CE1 3.55Å; C1318-Y1323 PolarHBondContact O-N 3.36Å; R1321-Y1323 PolarHBondContact O-N 3.5Å; R1321-Y1323 VanDerWaalsContact O-N 3.1Å; Y1323-W1325 AromaticContact CD1-CD1 3.75Å; Y1323-E1329 PolarHBondContact OH-OE1 3.43Å; Y1323-E1329 PolarHBondContact OH-OE2 2.98Å; Y1323-L1362 VanDerWaalsContact O-CD2 3.28Å; Y1323-L1362 WeakPolarHBondContact O-CD2 3.05Å | ||
| 1324 | T | 90.1 | Very high | 91.7 | Very high | 93 Ų | 93 | 56 Ų | 56 | 57% | 0.571 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 123.3 | 173.8 | -43.7 | 0 | 0 | 0 | 0 | 110.5 | Q1322 H1326 L1362 | Q1322-T1324 PolarHBondContact O-N 2.89Å; T1324-H1326 PolarHBondContact O-N 3.33Å; T1324-L1362 WeakPolarHBondContact CA-O 3.38Å |
| 1325 | W | 91.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 130.7 | 179.1 | -81.9 | 33.6 | 0 | 0 | 0 | 111.5 | L1289 L1315 Y1323 L1330 F1333 I1359 L1362 | L1289-W1325 HydrophobicContact CD1-CH2 3.56Å; L1289-W1325 HydrophobicContact CD1-CZ2 3.92Å; L1289-W1325 HydrophobicContact CD1-CZ3 3.91Å; L1289-W1325 HydrophobicContact CD2-CH2 4.13Å; L1315-W1325 HydrophobicContact CD2-CH2 4.11Å; L1315-W1325 HydrophobicContact CD2-CZ2 3.45Å; L1315-W1325 VanDerWaalsContact CD2-CZ2 3.45Å; Y1323-W1325 AromaticContact CD1-CD1 3.75Å; W1325-L1330 HydrophobicContact CE3-CB 4.26Å; W1325-L1330 HydrophobicContact CE3-CD1 3.8Å; W1325-L1330 HydrophobicContact CZ3-CD1 4.23Å; W1325-F1333 AromaticContact CH2-CD1 3.64Å; W1325-F1333 HydrophobicContact CH2-CD1 3.64Å; W1325-F1333 HydrophobicContact CH2-CE1 4Å; W1325-F1333 HydrophobicContact CH2-CG 4.43Å; W1325-F1333 HydrophobicContact CZ3-CB 4.43Å; W1325-F1333 AromaticContact CZ3-CD1 3.73Å; W1325-F1333 HydrophobicContact CZ3-CD1 3.73Å; W1325-F1333 HydrophobicContact CZ3-CE1 4.47Å; W1325-F1333 HydrophobicContact CZ3-CG 4.43Å; W1325-I1359 HydrophobicContact CH2-CG1 4.3Å; W1325-L1362 HydrophobicContact CG-CB 4.35Å; W1325-L1362 PolarHBondContact N-O 2.96Å |
| 1326 | H | 90.8 | Very high | 91.8 | Very high | 79 Ų | 79 | 57.8 Ų | 57.8 | 37% | 0.366 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 151.7 | 172.7 | -165.9 | -86 | 0 | 0 | 0 | 110.6 | F1215 T1324 Y1328 E1329 L1330 | F1215-H1326 AromaticContact CD2-ND1 3.97Å; F1215-H1326 HydrophobicContact CE2-CB 3.95Å; F1215-H1326 AromaticContact CE2-CG 3.76Å; F1215-H1326 AromaticContact CE2-ND1 3.92Å; F1215-H1326 HydrophobicContact CZ-CB 4.14Å; T1324-H1326 PolarHBondContact O-N 3.33Å; H1326-Y1328 VanDerWaalsContact C-N 3.28Å; H1326-Y1328 AromaticContact CE1-CD2 3.32Å; H1326-Y1328 WeakPolarHBondContact CE1-CD2 3.48Å; H1326-Y1328 AromaticContact CE1-CE2 3.77Å; H1326-Y1328 AromaticContact ND1-CD2 3.45Å; H1326-Y1328 WeakPolarHBondContact ND1-CD2 3.27Å; H1326-Y1328 PolarHBondContact ND1-N 3.33Å; H1326-Y1328 PolarHBondContact O-N 3Å; H1326-E1329 HydrophobicContact CB-CG 4.17Å; H1326-E1329 WeakPolarHBondContact CB-OE2 3.39Å; H1326-E1329 PolarHBondContact N-OE2 3Å; H1326-E1329 WeakPolarHBondContact O-CB 3.41Å; H1326-E1329 PolarHBondContact O-N 2.73Å; H1326-L1330 PolarHBondContact O-N 3.45Å |
| 1327 | E | 88.1 | Confident | 91.9 | Very high | 148 Ų | 148 | 50.1 Ų | 50.1 | 69% | 0.692 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -57.6 | -38.3 | -176.9 | -169.7 | -179.3 | 172.1 | 0 | 0 | 112.9 | E1329 L1330 G1331 | E1327-E1329 VanDerWaalsContact C-N 3.33Å; E1327-E1329 PolarHBondContact O-N 3.01Å; E1327-L1330 PolarHBondContact O-N 2.79Å; E1327-G1331 PolarHBondContact O-N 3.47Å |
| 1328 | Y | 90.3 | Very high | 92 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.1 | -28.7 | 174.4 | -66.4 | -64.4 | 0 | 0 | 0 | 113.9 | F1215 E1218 K1219 H1326 S1332 | F1215-Y1328 HydrophobicContact CB-CD2 3.87Å; F1215-Y1328 HydrophobicContact CB-CE2 4.3Å; F1215-Y1328 HydrophobicContact CD1-CD2 4.07Å; F1215-Y1328 HydrophobicContact CD1-CG 4.25Å; F1215-Y1328 AromaticContact CG-CD2 3.98Å; F1215-Y1328 HydrophobicContact CG-CD2 3.98Å; E1218-Y1328 HydrophobicContact CG-CD1 4.4Å; K1219-Y1328 VanDerWaalsContact CB-OH 3.3Å; K1219-Y1328 WeakPolarHBondContact CB-OH 3.41Å; K1219-Y1328 WeakPolarHBondContact CG-OH 3.26Å; H1326-Y1328 VanDerWaalsContact C-N 3.28Å; H1326-Y1328 AromaticContact CE1-CD2 3.32Å; H1326-Y1328 WeakPolarHBondContact CE1-CD2 3.48Å; H1326-Y1328 AromaticContact CE1-CE2 3.77Å; H1326-Y1328 AromaticContact ND1-CD2 3.45Å; H1326-Y1328 WeakPolarHBondContact ND1-CD2 3.27Å; H1326-Y1328 PolarHBondContact ND1-N 3.33Å; H1326-Y1328 PolarHBondContact O-N 3Å; Y1328-S1332 WeakPolarHBondContact O-CB 3.34Å; Y1328-S1332 PolarHBondContact O-N 2.93Å; Y1328-S1332 VanDerWaalsContact O-N 3.11Å; Y1328-S1332 PolarHBondContact O-OG 2.94Å |
| 1329 | E | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75 | -47.6 | 175.4 | -61.8 | 176.5 | 122.3 | 0 | 0 | 110.1 | K1211 F1215 D1286 Y1323 H1326 E1327 S1332 F1333 | K1211-E1329 WeakPolarHBondContact CE-OE1 3.47Å; K1211-E1329 IonicContact NZ-OE1 2.71Å; K1211-E1329 PolarHBondContact NZ-OE1 2.76Å; K1211-E1329 IonicContact NZ-OE2 2.79Å; F1215-E1329 HydrophobicContact CE1-CG 4.15Å; F1215-E1329 HydrophobicContact CZ-CG 3.72Å; D1286-E1329 HydrophobicContact CB-CG 4.04Å; Y1323-E1329 PolarHBondContact OH-OE1 3.43Å; Y1323-E1329 PolarHBondContact OH-OE2 2.98Å; H1326-E1329 HydrophobicContact CB-CG 4.17Å; H1326-E1329 WeakPolarHBondContact CB-OE2 3.39Å; H1326-E1329 PolarHBondContact N-OE2 3Å; H1326-E1329 WeakPolarHBondContact O-CB 3.41Å; H1326-E1329 PolarHBondContact O-N 2.73Å; E1327-E1329 VanDerWaalsContact C-N 3.33Å; E1327-E1329 PolarHBondContact O-N 3.01Å; E1329-S1332 PolarHBondContact O-N 2.89Å; E1329-S1332 PolarHBondContact O-OG 3.34Å; E1329-F1333 WeakPolarHBondContact O-CB 3.5Å; E1329-F1333 PolarHBondContact O-N 3.41Å |
| 1330 | L | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 175.7 | -169.5 | 68.8 | 0 | 0 | 0 | 110.9 | W1325 H1326 E1327 S1332 F1333 L1334 I1359 R1367 | W1325-L1330 HydrophobicContact CE3-CB 4.26Å; W1325-L1330 HydrophobicContact CE3-CD1 3.8Å; W1325-L1330 HydrophobicContact CZ3-CD1 4.23Å; H1326-L1330 PolarHBondContact O-N 3.45Å; E1327-L1330 PolarHBondContact O-N 2.79Å; L1330-S1332 PolarHBondContact O-N 3.23Å; L1330-F1333 PolarHBondContact O-N 3.22Å; L1330-L1334 HydrophobicContact CD1-CB 4Å; L1330-L1334 HydrophobicContact CD1-CD2 3.76Å; L1330-L1334 HydrophobicContact CD1-CG 4.46Å; L1330-L1334 HydrophobicContact CG-CB 4.31Å; L1330-L1334 HydrophobicContact CG-CD2 4.09Å; L1330-L1334 WeakPolarHBondContact O-CB 3.47Å; L1330-L1334 PolarHBondContact O-N 3.44Å; L1330-I1359 HydrophobicContact CD1-CG2 3.57Å; L1330-R1367 HydrophobicContact CD2-CB 3.94Å |
| 1331 | G | 90.8 | Very high | 92.1 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.1 | -27.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1327 P1335 | E1327-G1331 PolarHBondContact O-N 3.47Å; G1331-P1335 WeakPolarHBondContact O-CD 3.4Å; G1331-P1335 WeakPolarHBondContact O-CG 3.17Å |
| 1332 | S | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -84.9 | -11.9 | 176.2 | 62 | 0 | 0 | 0 | 0 | 113.7 | W1226 T1293 Y1328 E1329 L1330 F1336 | W1226-S1332 VanDerWaalsContact CD1-O 3.31Å; T1293-S1332 WeakPolarHBondContact CG2-O 3.29Å; Y1328-S1332 WeakPolarHBondContact O-CB 3.34Å; Y1328-S1332 PolarHBondContact O-N 2.93Å; Y1328-S1332 VanDerWaalsContact O-N 3.11Å; Y1328-S1332 PolarHBondContact O-OG 2.94Å; E1329-S1332 PolarHBondContact O-N 2.89Å; E1329-S1332 PolarHBondContact O-OG 3.34Å; L1330-S1332 PolarHBondContact O-N 3.23Å; S1332-F1336 WeakPolarHBondContact O-CD2 3.46Å; S1332-F1336 WeakPolarHBondContact O-CE2 3.34Å |
| 1333 | F | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -118.8 | -53.9 | -176.2 | 179.2 | -105.3 | 0 | 0 | 0 | 114.1 | L1289 C1292 T1293 F1296 I1311 W1325 E1329 L1330 F1336 L1337 I1359 | L1289-F1333 HydrophobicContact CB-CB 4.06Å; L1289-F1333 HydrophobicContact CB-CD2 3.81Å; L1289-F1333 HydrophobicContact CB-CG 4.08Å; L1289-F1333 HydrophobicContact CD1-CB 4.17Å; L1289-F1333 HydrophobicContact CD1-CG 4.25Å; L1289-F1333 HydrophobicContact CD2-CD1 4.22Å; L1289-F1333 HydrophobicContact CD2-CD2 3.75Å; L1289-F1333 HydrophobicContact CD2-CE1 4.26Å; L1289-F1333 HydrophobicContact CD2-CE2 3.83Å; L1289-F1333 HydrophobicContact CD2-CG 3.95Å; L1289-F1333 HydrophobicContact CD2-CZ 4.09Å; L1289-F1333 HydrophobicContact CG-CD2 4.27Å; L1289-F1333 HydrophobicContact CG-CG 4.32Å; C1292-F1333 HydrophobicContact CB-CE2 4.31Å; T1293-F1333 HydrophobicContact CG2-CD2 3.84Å; F1296-F1333 AromaticContact CE2-CE2 3.91Å; F1296-F1333 HydrophobicContact CE2-CE2 3.91Å; F1296-F1333 HydrophobicContact CE2-CZ 4.41Å; F1296-F1333 AromaticContact CZ-CE2 3.89Å; F1296-F1333 HydrophobicContact CZ-CE2 3.89Å; F1296-F1333 HydrophobicContact CZ-CZ 4.22Å; I1311-F1333 HydrophobicContact CD1-CE2 3.92Å; I1311-F1333 HydrophobicContact CD1-CZ 3.79Å; I1311-F1333 HydrophobicContact CG1-CE2 4.29Å; I1311-F1333 HydrophobicContact CG1-CZ 4.09Å; I1311-F1333 HydrophobicContact CG2-CE1 4.36Å; I1311-F1333 HydrophobicContact CG2-CZ 3.8Å; W1325-F1333 AromaticContact CH2-CD1 3.64Å; W1325-F1333 HydrophobicContact CH2-CD1 3.64Å; W1325-F1333 HydrophobicContact CH2-CE1 4Å; W1325-F1333 HydrophobicContact CH2-CG 4.43Å; W1325-F1333 HydrophobicContact CZ3-CB 4.43Å; W1325-F1333 AromaticContact CZ3-CD1 3.73Å; W1325-F1333 HydrophobicContact CZ3-CD1 3.73Å; W1325-F1333 HydrophobicContact CZ3-CE1 4.47Å; W1325-F1333 HydrophobicContact CZ3-CG 4.43Å; E1329-F1333 WeakPolarHBondContact O-CB 3.5Å; E1329-F1333 PolarHBondContact O-N 3.41Å; L1330-F1333 PolarHBondContact O-N 3.22Å; F1333-F1336 PolarHBondContact O-N 3.31Å; F1333-L1337 HydrophobicContact CE1-CB 4.08Å; F1333-L1337 HydrophobicContact CE1-CD2 3.76Å; F1333-L1337 HydrophobicContact CE1-CG 4.38Å; F1333-L1337 HydrophobicContact CZ-CB 4.17Å; F1333-L1337 HydrophobicContact CZ-CD1 4.3Å; F1333-L1337 HydrophobicContact CZ-CD2 4.16Å; F1333-L1337 HydrophobicContact CZ-CG 4.44Å; F1333-L1337 PolarHBondContact O-N 3.25Å; F1333-L1337 VanDerWaalsContact O-N 3.09Å; F1333-I1359 HydrophobicContact CE1-CD1 4.2Å |
| 1334 | L | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57 | -45 | -169.8 | 177.7 | 62.8 | 0 | 0 | 0 | 113.3 | L1330 F1336 L1337 L1338 L1356 I1359 V1368 H1371 | L1330-L1334 HydrophobicContact CD1-CB 4Å; L1330-L1334 HydrophobicContact CD1-CD2 3.76Å; L1330-L1334 HydrophobicContact CD1-CG 4.46Å; L1330-L1334 HydrophobicContact CG-CB 4.31Å; L1330-L1334 HydrophobicContact CG-CD2 4.09Å; L1330-L1334 WeakPolarHBondContact O-CB 3.47Å; L1330-L1334 PolarHBondContact O-N 3.44Å; L1334-F1336 PolarHBondContact O-N 3.35Å; L1334-F1336 VanDerWaalsContact O-N 3.17Å; L1334-L1337 PolarHBondContact O-N 3.06Å; L1334-L1338 HydrophobicContact CD1-CD1 4.17Å; L1334-L1338 HydrophobicContact CD1-CD2 4.22Å; L1334-L1338 HydrophobicContact CD1-CG 3.89Å; L1334-L1338 HydrophobicContact CG-CD1 4.06Å; L1334-L1338 HydrophobicContact CG-CG 4.24Å; L1334-L1338 VanDerWaalsContact O-CG 3.32Å; L1334-L1338 WeakPolarHBondContact O-CG 3.44Å; L1334-L1338 PolarHBondContact O-N 3.26Å; L1334-L1356 HydrophobicContact CD1-CD2 3.55Å; L1334-I1359 HydrophobicContact CD1-CD1 4.33Å; L1334-V1368 HydrophobicContact CD2-CB 4.37Å; L1334-V1368 HydrophobicContact CD2-CG1 4.09Å; L1334-V1368 HydrophobicContact CD2-CG2 4.16Å; L1334-H1371 HydrophobicContact CD2-CB 3.79Å; L1334-H1371 HydrophobicContact CG-CB 4.19Å |
| 1335 | P | 94.4 | Very high | 91.5 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.3 | -36.7 | 177.4 | -26.6 | 35.7 | 0 | 0 | 0 | 113.2 | G1331 L1339 | G1331-P1335 WeakPolarHBondContact O-CD 3.4Å; G1331-P1335 WeakPolarHBondContact O-CG 3.17Å; P1335-L1339 WeakPolarHBondContact O-CG 3.38Å; P1335-L1339 PolarHBondContact O-N 3.42Å |
| 1336 | F | 94.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79 | -36.6 | -178.4 | -55.4 | -84.7 | 0 | 0 | 0 | 112.5 | W1226 F1228 T1293 F1296 F1297 S1332 F1333 L1334 L1338 L1339 | W1226-F1336 AromaticContact CD1-CE2 3.9Å; F1228-F1336 AromaticContact CD2-CE1 3.77Å; F1228-F1336 HydrophobicContact CD2-CE1 3.77Å; F1228-F1336 HydrophobicContact CD2-CZ 4.28Å; F1228-F1336 HydrophobicContact CE1-CZ 4.34Å; F1228-F1336 HydrophobicContact CE2-CD1 4.39Å; F1228-F1336 AromaticContact CE2-CE1 3.62Å; F1228-F1336 HydrophobicContact CE2-CE1 3.62Å; F1228-F1336 HydrophobicContact CE2-CZ 4.11Å; F1228-F1336 HydrophobicContact CG-CE1 4.36Å; F1228-F1336 HydrophobicContact CG-CZ 4.48Å; F1228-F1336 HydrophobicContact CZ-CE1 4.09Å; F1228-F1336 HydrophobicContact CZ-CZ 4.14Å; F1228-F1336 WeakPolarHBondContact O-CE1 3.32Å; T1293-F1336 HydrophobicContact CG2-CB 3.83Å; T1293-F1336 HydrophobicContact CG2-CD2 3.74Å; T1293-F1336 HydrophobicContact CG2-CG 3.93Å; F1296-F1336 HydrophobicContact CD2-CB 3.96Å; F1296-F1336 HydrophobicContact CE2-CB 4.46Å; F1297-F1336 AromaticContact CE2-CD1 3.73Å; F1297-F1336 HydrophobicContact CE2-CD1 3.73Å; F1297-F1336 HydrophobicContact CE2-CE1 4.13Å; F1297-F1336 AromaticContact CZ-CD1 3.81Å; F1297-F1336 HydrophobicContact CZ-CD1 3.81Å; F1297-F1336 HydrophobicContact CZ-CE1 4.12Å; S1332-F1336 WeakPolarHBondContact O-CD2 3.46Å; S1332-F1336 WeakPolarHBondContact O-CE2 3.34Å; F1333-F1336 PolarHBondContact O-N 3.31Å; L1334-F1336 PolarHBondContact O-N 3.35Å; L1334-F1336 VanDerWaalsContact O-N 3.17Å; F1336-L1338 VanDerWaalsContact C-N 3.32Å; F1336-L1339 PolarHBondContact O-N 3.17Å |
| 1337 | L | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 171.8 | -179.4 | 67.7 | 0 | 0 | 0 | 110.7 | F1296 L1308 F1333 L1334 L1339 K1340 I1352 M1355 I1359 | F1296-L1337 HydrophobicContact CE2-CB 4.08Å; F1296-L1337 HydrophobicContact CE2-CD1 4.18Å; F1296-L1337 HydrophobicContact CZ-CD1 3.93Å; L1308-L1337 HydrophobicContact CD2-CD1 4.14Å; F1333-L1337 HydrophobicContact CE1-CB 4.08Å; F1333-L1337 HydrophobicContact CE1-CD2 3.76Å; F1333-L1337 HydrophobicContact CE1-CG 4.38Å; F1333-L1337 HydrophobicContact CZ-CB 4.17Å; F1333-L1337 HydrophobicContact CZ-CD1 4.3Å; F1333-L1337 HydrophobicContact CZ-CD2 4.16Å; F1333-L1337 HydrophobicContact CZ-CG 4.44Å; F1333-L1337 PolarHBondContact O-N 3.25Å; F1333-L1337 VanDerWaalsContact O-N 3.09Å; L1334-L1337 PolarHBondContact O-N 3.06Å; L1337-L1339 VanDerWaalsContact C-N 3.29Å; L1337-L1339 PolarHBondContact O-N 3.08Å; L1337-K1340 WeakPolarHBondContact O-CB 3.42Å; L1337-K1340 PolarHBondContact O-N 3.22Å; L1337-I1352 HydrophobicContact CD1-CG1 4.05Å; L1337-I1352 HydrophobicContact CD1-CG2 4.08Å; L1337-I1352 HydrophobicContact CD2-CG2 4.33Å; L1337-I1352 HydrophobicContact CG-CG2 3.93Å; L1337-M1355 HydrophobicContact CD1-SD 4.11Å; L1337-M1355 HydrophobicContact CD2-CB 4.31Å; L1337-M1355 HydrophobicContact CD2-SD 4.42Å; L1337-I1359 HydrophobicContact CD2-CD1 3.7Å |
| 1338 | L | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -37.3 | 179.5 | -71.1 | 177.7 | 0 | 0 | 0 | 112 | L1334 F1336 K1340 L1341 L1356 H1371 L1372 S1375 L1383 | L1334-L1338 HydrophobicContact CD1-CD1 4.17Å; L1334-L1338 HydrophobicContact CD1-CD2 4.22Å; L1334-L1338 HydrophobicContact CD1-CG 3.89Å; L1334-L1338 HydrophobicContact CG-CD1 4.06Å; L1334-L1338 HydrophobicContact CG-CG 4.24Å; L1334-L1338 VanDerWaalsContact O-CG 3.32Å; L1334-L1338 WeakPolarHBondContact O-CG 3.44Å; L1334-L1338 PolarHBondContact O-N 3.26Å; F1336-L1338 VanDerWaalsContact C-N 3.32Å; L1338-K1340 PolarHBondContact O-N 3.49Å; L1338-L1341 HydrophobicContact CD2-CD1 3.71Å; L1338-L1341 WeakPolarHBondContact O-CB 3.46Å; L1338-L1341 PolarHBondContact O-N 3.08Å; L1338-L1356 HydrophobicContact CD2-CD1 3.92Å; L1338-L1356 HydrophobicContact CD2-CD2 3.65Å; L1338-L1356 HydrophobicContact CD2-CG 4.42Å; L1338-H1371 HydrophobicContact CD1-CB 3.89Å; L1338-H1371 WeakPolarHBondContact CD1-O 3.28Å; L1338-L1372 HydrophobicContact CD1-CD2 4.14Å; L1338-L1372 HydrophobicContact CD1-CG 4.35Å; L1338-L1372 HydrophobicContact CD2-CD2 3.55Å; L1338-L1372 HydrophobicContact CD2-CG 4.44Å; L1338-S1375 WeakPolarHBondContact CB-OG 3.31Å; L1338-S1375 WeakPolarHBondContact CD1-OG 3.4Å; L1338-L1383 WeakPolarHBondContact O-CD1 3.45Å |
| 1339 | L | 90.9 | Very high | 91.1 | Very high | 84 Ų | 84 | 33.9 Ų | 33.9 | 44% | 0.44 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.2 | -25.4 | 174.4 | -66.2 | 175.1 | 0 | 0 | 0 | 113.1 | P1335 F1336 L1337 L1383 | P1335-L1339 WeakPolarHBondContact O-CG 3.38Å; P1335-L1339 PolarHBondContact O-N 3.42Å; F1336-L1339 PolarHBondContact O-N 3.17Å; L1337-L1339 VanDerWaalsContact C-N 3.29Å; L1337-L1339 PolarHBondContact O-N 3.08Å; L1339-L1383 HydrophobicContact CD2-CD2 4.05Å |
| 1340 | K | 91.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -82.3 | -10.8 | 178.4 | -64.5 | -56.5 | -169.7 | 177.5 | 0 | 115.1 | F1296 L1337 L1338 G1342 E1343 I1352 | F1296-K1340 HydrophobicContact CB-CG 4.31Å; F1296-K1340 HydrophobicContact CD1-CG 4.46Å; F1296-K1340 HydrophobicContact CD2-CG 4.42Å; F1296-K1340 HydrophobicContact CG-CG 4.17Å; F1296-K1340 WeakPolarHBondContact O-CE 3.11Å; F1296-K1340 PolarHBondContact O-NZ 2.85Å; L1337-K1340 WeakPolarHBondContact O-CB 3.42Å; L1337-K1340 PolarHBondContact O-N 3.22Å; L1338-K1340 PolarHBondContact O-N 3.49Å; K1340-G1342 PolarHBondContact O-N 3.2Å; K1340-E1343 HydrophobicContact CD-CG 4.22Å; K1340-E1343 IonicContact NZ-OE1 2.71Å; K1340-E1343 WeakPolarHBondContact O-CB 3.47Å; K1340-E1343 WeakPolarHBondContact O-CG 3.41Å; K1340-E1343 PolarHBondContact O-N 3.21Å; K1340-E1343 VanDerWaalsContact O-N 3.16Å; K1340-I1352 HydrophobicContact CB-CD1 3.46Å; K1340-I1352 VanDerWaalsContact CB-CD1 3.46Å; K1340-I1352 WeakPolarHBondContact O-CD1 3.05Å |
| 1341 | L | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -60.7 | -22.4 | 167.3 | -75.1 | 169.6 | 0 | 0 | 0 | 112.2 | L1338 E1343 R1349 I1352 R1353 L1356 L1383 E1386 | L1338-L1341 HydrophobicContact CD2-CD1 3.71Å; L1338-L1341 WeakPolarHBondContact O-CB 3.46Å; L1338-L1341 PolarHBondContact O-N 3.08Å; L1341-E1343 VanDerWaalsContact C-N 3.26Å; L1341-E1343 PolarHBondContact O-N 2.92Å; L1341-R1349 WeakPolarHBondContact O-CD 3.45Å; L1341-R1349 WeakPolarHBondContact O-CG 3.18Å; L1341-I1352 HydrophobicContact CD2-CB 4.05Å; L1341-I1352 HydrophobicContact CD2-CG2 3.61Å; L1341-I1352 HydrophobicContact CG-CG2 3.84Å; L1341-R1353 HydrophobicContact CD2-CG 4.26Å; L1341-L1356 HydrophobicContact CD1-CD1 3.97Å; L1341-L1356 HydrophobicContact CD2-CD1 4.32Å; L1341-L1383 HydrophobicContact CB-CD1 3.75Å; L1341-E1386 HydrophobicContact CB-CB 4.11Å |
| 1342 | G | 90.1 | Very high | 90.9 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -76.7 | -0.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1340 N1380 | K1340-G1342 PolarHBondContact O-N 3.2Å; G1342-N1380 PolarHBondContact O-ND2 2.94Å |
| 1343 | E | 89 | Confident | 90.9 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 29% | 0.285 | 21% | 0.209 | S | C | . | . | trans | -63.6 | 153.3 | -177.1 | -85.8 | -63.8 | 170 | 0 | 0 | 113.3 | K1340 L1341 I1348 R1349 | K1340-E1343 HydrophobicContact CD-CG 4.22Å; K1340-E1343 IonicContact NZ-OE1 2.71Å; K1340-E1343 WeakPolarHBondContact O-CB 3.47Å; K1340-E1343 WeakPolarHBondContact O-CG 3.41Å; K1340-E1343 PolarHBondContact O-N 3.21Å; K1340-E1343 VanDerWaalsContact O-N 3.16Å; L1341-E1343 VanDerWaalsContact C-N 3.26Å; L1341-E1343 PolarHBondContact O-N 2.92Å; E1343-I1348 HydrophobicContact CB-CG2 4.15Å; E1343-I1348 HydrophobicContact CG-CG2 4.25Å; E1343-R1349 PolarHBondContact O-NH1 3.38Å | ||
| 1344 | Q | 83.5 | Confident | 90.7 | Very high | 161 Ų | 161 | 45.7 Ų | 45.7 | 75% | 0.752 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -74.4 | -33.1 | -176.7 | -62.8 | -172.5 | 4.7 | 0 | 0 | 113 | E1346 R1349 | Q1344-E1346 PolarHBondContact O-N 3.07Å; Q1344-R1349 PolarHBondContact O-NH1 3.37Å |
| 1345 | K | 83.3 | Confident | 90.6 | Very high | 113 Ų | 113 | 45.8 Ų | 45.8 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | trans | -79.1 | 118.4 | -177.8 | -65.4 | -174.7 | 178.1 | -177.1 | 0 | 111.3 | A1347 I1348 R1349 | K1345-A1347 VanDerWaalsContact C-N 3.27Å; K1345-A1347 PolarHBondContact O-N 3.17Å; K1345-I1348 HydrophobicContact CB-CD1 4.06Å; K1345-I1348 HydrophobicContact CB-CG1 4.17Å; K1345-I1348 HydrophobicContact CD-CD1 4.19Å; K1345-I1348 PolarHBondContact O-N 3.42Å; K1345-I1348 VanDerWaalsContact O-N 3.16Å; K1345-R1349 PolarHBondContact O-N 3.22Å | ||
| 1346 | E | 87.3 | Confident | 90.5 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.4 | -37.2 | 177.7 | 178 | 64 | -173.2 | 0 | 0 | 112.7 | Q1344 I1348 R1349 T1350 R1353 | Q1344-E1346 PolarHBondContact O-N 3.07Å; E1346-I1348 VanDerWaalsContact C-N 3.28Å; E1346-I1348 PolarHBondContact O-N 3.47Å; E1346-R1349 PolarHBondContact O-N 3.22Å; E1346-R1349 VanDerWaalsContact O-N 3.11Å; E1346-R1349 IonicContact OE2-CZ 3.63Å; E1346-R1349 IonicContact OE2-NE 3.14Å; E1346-R1349 PolarHBondContact OE2-NE 2.82Å; E1346-R1349 VanDerWaalsContact OE2-NE 3.12Å; E1346-R1349 IonicContact OE2-NH2 3.64Å; E1346-R1349 PolarHBondContact OE2-NH2 3.09Å; E1346-T1350 PolarHBondContact O-N 3.39Å; E1346-T1350 PolarHBondContact O-OG1 2.87Å; E1346-T1350 VanDerWaalsContact O-OG1 3.09Å; E1346-T1350 PolarHBondContact OE1-OG1 3.24Å; E1346-R1353 IonicContact OE1-CZ 3.6Å; E1346-R1353 IonicContact OE1-NH2 2.69Å; E1346-R1353 PolarHBondContact OE1-NH2 3.08Å |
| 1347 | A | 83.4 | Confident | 90.3 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 60% | 0.595 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -55.9 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1345 T1350 T1351 | K1345-A1347 VanDerWaalsContact C-N 3.27Å; K1345-A1347 PolarHBondContact O-N 3.17Å; A1347-T1350 PolarHBondContact O-N 3.44Å; A1347-T1351 PolarHBondContact O-N 3.44Å; A1347-T1351 PolarHBondContact O-OG1 3.32Å |
| 1348 | I | 88.8 | Confident | 90.2 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 177.4 | -64.5 | 176.3 | 0 | 0 | 0 | 110.2 | L1304 L1308 E1343 K1345 E1346 T1350 T1351 I1352 | L1304-I1348 HydrophobicContact CD2-CD1 4.09Å; L1308-I1348 HydrophobicContact CD1-CG2 3.86Å; E1343-I1348 HydrophobicContact CB-CG2 4.15Å; E1343-I1348 HydrophobicContact CG-CG2 4.25Å; K1345-I1348 HydrophobicContact CB-CD1 4.06Å; K1345-I1348 HydrophobicContact CB-CG1 4.17Å; K1345-I1348 HydrophobicContact CD-CD1 4.19Å; K1345-I1348 PolarHBondContact O-N 3.42Å; K1345-I1348 VanDerWaalsContact O-N 3.16Å; E1346-I1348 VanDerWaalsContact C-N 3.28Å; E1346-I1348 PolarHBondContact O-N 3.47Å; I1348-T1350 VanDerWaalsContact C-N 3.35Å; I1348-T1350 PolarHBondContact O-N 2.87Å; I1348-T1351 PolarHBondContact O-N 2.78Å; I1348-I1352 HydrophobicContact CG2-CD1 3.69Å; I1348-I1352 HydrophobicContact CG2-CG1 4.45Å; I1348-I1352 WeakPolarHBondContact O-CD1 3.26Å; I1348-I1352 VanDerWaalsContact O-CG1 3.24Å; I1348-I1352 WeakPolarHBondContact O-CG1 3.5Å; I1348-I1352 PolarHBondContact O-N 3.47Å |
| 1349 | R | 91.5 | Very high | 90.2 | Very high | 27 Ų | 27 | 50.4 Ų | 50.4 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 178.1 | -61.2 | -163.6 | -63 | -84.5 | 4.4 | 112.1 | L1341 E1343 Q1344 K1345 E1346 I1352 R1353 E1386 | L1341-R1349 WeakPolarHBondContact O-CD 3.45Å; L1341-R1349 WeakPolarHBondContact O-CG 3.18Å; E1343-R1349 PolarHBondContact O-NH1 3.38Å; Q1344-R1349 PolarHBondContact O-NH1 3.37Å; K1345-R1349 PolarHBondContact O-N 3.22Å; E1346-R1349 PolarHBondContact O-N 3.22Å; E1346-R1349 VanDerWaalsContact O-N 3.11Å; E1346-R1349 IonicContact OE2-CZ 3.63Å; E1346-R1349 IonicContact OE2-NE 3.14Å; E1346-R1349 PolarHBondContact OE2-NE 2.82Å; E1346-R1349 VanDerWaalsContact OE2-NE 3.12Å; E1346-R1349 IonicContact OE2-NH2 3.64Å; E1346-R1349 PolarHBondContact OE2-NH2 3.09Å; R1349-I1352 PolarHBondContact O-N 3.14Å; R1349-R1353 WeakPolarHBondContact O-CG 3.32Å; R1349-R1353 PolarHBondContact O-N 3.2Å; R1349-E1386 IonicContact NE-OE1 3.49Å; R1349-E1386 PolarHBondContact NE-OE1 2.89Å |
| 1350 | T | 89.9 | Confident | 90.2 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 29% | 0.288 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.1 | -60.5 | 0 | 0 | 0 | 0 | 112 | E1346 A1347 I1348 I1352 R1353 Q1354 | E1346-T1350 PolarHBondContact O-N 3.39Å; E1346-T1350 PolarHBondContact O-OG1 2.87Å; E1346-T1350 VanDerWaalsContact O-OG1 3.09Å; E1346-T1350 PolarHBondContact OE1-OG1 3.24Å; A1347-T1350 PolarHBondContact O-N 3.44Å; I1348-T1350 VanDerWaalsContact C-N 3.35Å; I1348-T1350 PolarHBondContact O-N 2.87Å; T1350-I1352 VanDerWaalsContact C-N 3.31Å; T1350-I1352 PolarHBondContact O-N 3.05Å; T1350-R1353 PolarHBondContact O-N 3.31Å; T1350-R1353 PolarHBondContact OG1-NH2 3Å; T1350-Q1354 WeakPolarHBondContact O-CG 3.21Å; T1350-Q1354 PolarHBondContact O-N 3.39Å; T1350-Q1354 VanDerWaalsContact O-N 3.09Å |
| 1351 | T | 90.7 | Very high | 90.1 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 173.8 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | L1308 Q1312 A1347 I1348 Q1354 M1355 | L1308-T1351 HydrophobicContact CB-CG2 4.11Å; L1308-T1351 HydrophobicContact CD1-CG2 4.42Å; Q1312-T1351 HydrophobicContact CG-CG2 4.44Å; A1347-T1351 PolarHBondContact O-N 3.44Å; A1347-T1351 PolarHBondContact O-OG1 3.32Å; I1348-T1351 PolarHBondContact O-N 2.78Å; T1351-Q1354 PolarHBondContact O-N 3.42Å; T1351-M1355 HydrophobicContact CG2-CE 3.84Å; T1351-M1355 HydrophobicContact CG2-SD 4.48Å; T1351-M1355 VanDerWaalsContact O-CG 3.31Å; T1351-M1355 WeakPolarHBondContact O-CG 3.45Å; T1351-M1355 PolarHBondContact O-N 2.63Å |
| 1352 | I | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 179.1 | -63.7 | 164 | 0 | 0 | 0 | 111.7 | L1308 L1337 K1340 L1341 I1348 R1349 T1350 Q1354 M1355 L1356 | L1308-I1352 HydrophobicContact CD2-CG1 4.21Å; L1337-I1352 HydrophobicContact CD1-CG1 4.05Å; L1337-I1352 HydrophobicContact CD1-CG2 4.08Å; L1337-I1352 HydrophobicContact CD2-CG2 4.33Å; L1337-I1352 HydrophobicContact CG-CG2 3.93Å; K1340-I1352 HydrophobicContact CB-CD1 3.46Å; K1340-I1352 VanDerWaalsContact CB-CD1 3.46Å; K1340-I1352 WeakPolarHBondContact O-CD1 3.05Å; L1341-I1352 HydrophobicContact CD2-CB 4.05Å; L1341-I1352 HydrophobicContact CD2-CG2 3.61Å; L1341-I1352 HydrophobicContact CG-CG2 3.84Å; I1348-I1352 HydrophobicContact CG2-CD1 3.69Å; I1348-I1352 HydrophobicContact CG2-CG1 4.45Å; I1348-I1352 WeakPolarHBondContact O-CD1 3.26Å; I1348-I1352 VanDerWaalsContact O-CG1 3.24Å; I1348-I1352 WeakPolarHBondContact O-CG1 3.5Å; I1348-I1352 PolarHBondContact O-N 3.47Å; R1349-I1352 PolarHBondContact O-N 3.14Å; T1350-I1352 VanDerWaalsContact C-N 3.31Å; T1350-I1352 PolarHBondContact O-N 3.05Å; I1352-Q1354 PolarHBondContact O-N 3.15Å; I1352-M1355 WeakPolarHBondContact O-CB 3.38Å; I1352-M1355 PolarHBondContact O-N 3.4Å; I1352-L1356 HydrophobicContact CG2-CD1 4.29Å; I1352-L1356 HydrophobicContact CG2-CG 4.48Å; I1352-L1356 WeakPolarHBondContact O-CG 3.31Å; I1352-L1356 PolarHBondContact O-N 2.89Å |
| 1353 | R | 92.1 | Very high | 90 | Very high | 83 Ų | 83 | 51.6 Ų | 51.6 | 31% | 0.313 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.2 | -77.1 | -178.6 | -67.9 | -173.3 | -2 | 111.8 | L1341 E1346 R1349 T1350 M1355 L1356 D1357 | L1341-R1353 HydrophobicContact CD2-CG 4.26Å; E1346-R1353 IonicContact OE1-CZ 3.6Å; E1346-R1353 IonicContact OE1-NH2 2.69Å; E1346-R1353 PolarHBondContact OE1-NH2 3.08Å; R1349-R1353 WeakPolarHBondContact O-CG 3.32Å; R1349-R1353 PolarHBondContact O-N 3.2Å; T1350-R1353 PolarHBondContact O-N 3.31Å; T1350-R1353 PolarHBondContact OG1-NH2 3Å; R1353-M1355 VanDerWaalsContact C-N 3.3Å; R1353-M1355 PolarHBondContact O-N 2.82Å; R1353-L1356 WeakPolarHBondContact O-CB 3.45Å; R1353-L1356 PolarHBondContact O-N 2.97Å; R1353-L1356 VanDerWaalsContact O-N 3.11Å; R1353-D1357 PolarHBondContact O-N 3.15Å; R1353-D1357 VanDerWaalsContact O-N 3.16Å |
| 1354 | Q | 91.3 | Very high | 90 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 174.9 | -68.2 | 170.2 | -7.6 | 0 | 0 | 112.3 | T1350 T1351 I1352 L1356 D1357 S1358 | T1350-Q1354 WeakPolarHBondContact O-CG 3.21Å; T1350-Q1354 PolarHBondContact O-N 3.39Å; T1350-Q1354 VanDerWaalsContact O-N 3.09Å; T1351-Q1354 PolarHBondContact O-N 3.42Å; I1352-Q1354 PolarHBondContact O-N 3.15Å; Q1354-L1356 VanDerWaalsContact C-N 3.34Å; Q1354-D1357 PolarHBondContact O-N 3.04Å; Q1354-S1358 PolarHBondContact O-N 3.17Å; Q1354-S1358 PolarHBondContact O-OG 2.97Å |
| 1355 | M | 93.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | 174.4 | -68.9 | 171.4 | 170.9 | 0 | 0 | 112.1 | L1308 I1311 Q1312 L1315 L1337 T1351 I1352 R1353 D1357 S1358 I1359 | L1308-M1355 HydrophobicContact CB-CE 3.79Å; L1308-M1355 HydrophobicContact CD2-CE 3.76Å; L1308-M1355 HydrophobicContact CD2-SD 3.92Å; L1308-M1355 HydrophobicContact CG-CE 4.37Å; L1308-M1355 WeakPolarHBondContact O-CE 3.33Å; I1311-M1355 HydrophobicContact CB-CE 3.75Å; I1311-M1355 HydrophobicContact CB-SD 4.48Å; I1311-M1355 HydrophobicContact CG2-CE 3.73Å; I1311-M1355 HydrophobicContact CG2-SD 3.88Å; Q1312-M1355 HydrophobicContact CB-CE 4.42Å; Q1312-M1355 HydrophobicContact CG-CE 3.36Å; Q1312-M1355 HydrophobicContact CG-CG 4.19Å; L1315-M1355 HydrophobicContact CD1-CB 3.78Å; L1315-M1355 HydrophobicContact CD1-CG 3.78Å; L1337-M1355 HydrophobicContact CD1-SD 4.11Å; L1337-M1355 HydrophobicContact CD2-CB 4.31Å; L1337-M1355 HydrophobicContact CD2-SD 4.42Å; T1351-M1355 HydrophobicContact CG2-CE 3.84Å; T1351-M1355 HydrophobicContact CG2-SD 4.48Å; T1351-M1355 VanDerWaalsContact O-CG 3.31Å; T1351-M1355 WeakPolarHBondContact O-CG 3.45Å; T1351-M1355 PolarHBondContact O-N 2.63Å; I1352-M1355 WeakPolarHBondContact O-CB 3.38Å; I1352-M1355 PolarHBondContact O-N 3.4Å; R1353-M1355 VanDerWaalsContact C-N 3.3Å; R1353-M1355 PolarHBondContact O-N 2.82Å; M1355-D1357 VanDerWaalsContact C-N 3.35Å; M1355-S1358 PolarHBondContact O-N 2.93Å; M1355-I1359 WeakPolarHBondContact O-CG1 3.49Å; M1355-I1359 PolarHBondContact O-N 3.35Å |
| 1356 | L | 93.5 | Very high | 90.7 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 178.2 | -73.7 | 167.4 | 0 | 0 | 0 | 111.7 | L1334 L1338 L1341 I1352 R1353 Q1354 S1358 I1359 V1360 T1390 | L1334-L1356 HydrophobicContact CD1-CD2 3.55Å; L1338-L1356 HydrophobicContact CD2-CD1 3.92Å; L1338-L1356 HydrophobicContact CD2-CD2 3.65Å; L1338-L1356 HydrophobicContact CD2-CG 4.42Å; L1341-L1356 HydrophobicContact CD1-CD1 3.97Å; L1341-L1356 HydrophobicContact CD2-CD1 4.32Å; I1352-L1356 HydrophobicContact CG2-CD1 4.29Å; I1352-L1356 HydrophobicContact CG2-CG 4.48Å; I1352-L1356 WeakPolarHBondContact O-CG 3.31Å; I1352-L1356 PolarHBondContact O-N 2.89Å; R1353-L1356 WeakPolarHBondContact O-CB 3.45Å; R1353-L1356 PolarHBondContact O-N 2.97Å; R1353-L1356 VanDerWaalsContact O-N 3.11Å; Q1354-L1356 VanDerWaalsContact C-N 3.34Å; L1356-S1358 VanDerWaalsContact C-N 3.34Å; L1356-S1358 PolarHBondContact O-N 3.3Å; L1356-I1359 PolarHBondContact O-N 3.34Å; L1356-V1360 VanDerWaalsContact O-CG2 3.29Å; L1356-V1360 WeakPolarHBondContact O-CG2 3.45Å; L1356-V1360 PolarHBondContact O-N 3.21Å; L1356-T1390 HydrophobicContact CD1-CG2 4.44Å |
| 1357 | D | 91.1 | Very high | 90.8 | Very high | 101 Ų | 101 | 39.8 Ų | 39.8 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 174.7 | -61.9 | -27.2 | 0 | 0 | 0 | 110.6 | R1353 Q1354 M1355 I1359 V1360 D1361 | R1353-D1357 PolarHBondContact O-N 3.15Å; R1353-D1357 VanDerWaalsContact O-N 3.16Å; Q1354-D1357 PolarHBondContact O-N 3.04Å; M1355-D1357 VanDerWaalsContact C-N 3.35Å; D1357-I1359 VanDerWaalsContact C-N 3.35Å; D1357-I1359 PolarHBondContact O-N 3.1Å; D1357-V1360 PolarHBondContact O-N 3.36Å; D1357-D1361 PolarHBondContact O-N 3.31Å; D1357-D1361 VanDerWaalsContact O-N 3.09Å |
| 1358 | S | 91.9 | Very high | 91.4 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | Q1354 M1355 L1356 D1361 L1362 | Q1354-S1358 PolarHBondContact O-N 3.17Å; Q1354-S1358 PolarHBondContact O-OG 2.97Å; M1355-S1358 PolarHBondContact O-N 2.93Å; L1356-S1358 VanDerWaalsContact C-N 3.34Å; L1356-S1358 PolarHBondContact O-N 3.3Å; S1358-D1361 PolarHBondContact O-N 3.5Å; S1358-L1362 WeakPolarHBondContact O-CD1 3.43Å; S1358-L1362 WeakPolarHBondContact O-CG 3.48Å; S1358-L1362 PolarHBondContact O-N 2.93Å |
| 1359 | I | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -37 | 177.7 | -69.9 | 164 | 0 | 0 | 0 | 111 | L1315 W1325 L1330 F1333 L1334 L1337 M1355 L1356 D1357 D1361 L1362 S1363 V1368 | L1315-I1359 HydrophobicContact CD1-CG1 4.39Å; L1315-I1359 HydrophobicContact CD2-CG1 3.81Å; W1325-I1359 HydrophobicContact CH2-CG1 4.3Å; L1330-I1359 HydrophobicContact CD1-CG2 3.57Å; F1333-I1359 HydrophobicContact CE1-CD1 4.2Å; L1334-I1359 HydrophobicContact CD1-CD1 4.33Å; L1337-I1359 HydrophobicContact CD2-CD1 3.7Å; M1355-I1359 WeakPolarHBondContact O-CG1 3.49Å; M1355-I1359 PolarHBondContact O-N 3.35Å; L1356-I1359 PolarHBondContact O-N 3.34Å; D1357-I1359 VanDerWaalsContact C-N 3.35Å; D1357-I1359 PolarHBondContact O-N 3.1Å; I1359-D1361 VanDerWaalsContact C-N 3.33Å; I1359-L1362 PolarHBondContact O-N 2.8Å; I1359-S1363 PolarHBondContact O-N 3.05Å; I1359-S1363 PolarHBondContact O-OG 3.29Å; I1359-V1368 HydrophobicContact CG2-CG2 4.07Å |
| 1360 | V | 92.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.9 | 170 | 0 | 0 | 0 | 0 | 110.4 | L1356 D1357 L1362 S1364 A1365 V1368 L1394 Y1398 | L1356-V1360 VanDerWaalsContact O-CG2 3.29Å; L1356-V1360 WeakPolarHBondContact O-CG2 3.45Å; L1356-V1360 PolarHBondContact O-N 3.21Å; D1357-V1360 PolarHBondContact O-N 3.36Å; V1360-L1362 VanDerWaalsContact C-N 3.35Å; V1360-L1362 PolarHBondContact O-N 3.23Å; V1360-S1364 WeakPolarHBondContact O-CA 3.48Å; V1360-S1364 PolarHBondContact O-N 3.35Å; V1360-A1365 HydrophobicContact CG1-CB 4.01Å; V1360-V1368 HydrophobicContact CG2-CB 4.08Å; V1360-V1368 HydrophobicContact CG2-CG1 4.02Å; V1360-V1368 HydrophobicContact CG2-CG2 3.89Å; V1360-L1394 HydrophobicContact CG1-CD2 4.38Å; V1360-L1394 HydrophobicContact CG2-CD2 4.08Å; V1360-Y1398 HydrophobicContact CG1-CE2 4.02Å; V1360-Y1398 WeakPolarHBondContact CG1-OH 3.4Å |
| 1361 | D | 88.3 | Confident | 91.9 | Very high | 109 Ų | 109 | 38.5 Ų | 38.5 | 58% | 0.583 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -65.9 | -34.4 | 175.8 | -70 | -24.9 | 0 | 0 | 0 | 112.9 | D1357 S1358 I1359 | D1357-D1361 PolarHBondContact O-N 3.31Å; D1357-D1361 VanDerWaalsContact O-N 3.09Å; S1358-D1361 PolarHBondContact O-N 3.5Å; I1359-D1361 VanDerWaalsContact C-N 3.33Å |
| 1362 | L | 91 | Very high | 92.1 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -84.7 | -13.9 | -178.9 | -67.4 | 169 | 0 | 0 | 0 | 114.7 | L1315 C1318 V1319 Y1323 T1324 W1325 S1358 I1359 V1360 | L1315-L1362 HydrophobicContact CD2-CD1 3.64Å; C1318-L1362 HydrophobicContact CB-CD1 3.62Å; C1318-L1362 HydrophobicContact CB-CD2 3.77Å; C1318-L1362 HydrophobicContact CB-CG 4.36Å; V1319-L1362 HydrophobicContact CB-CD2 4.4Å; V1319-L1362 HydrophobicContact CG2-CD1 4.06Å; V1319-L1362 HydrophobicContact CG2-CD2 3.76Å; V1319-L1362 HydrophobicContact CG2-CG 3.92Å; Y1323-L1362 VanDerWaalsContact O-CD2 3.28Å; Y1323-L1362 WeakPolarHBondContact O-CD2 3.05Å; T1324-L1362 WeakPolarHBondContact CA-O 3.38Å; W1325-L1362 HydrophobicContact CG-CB 4.35Å; W1325-L1362 PolarHBondContact N-O 2.96Å; S1358-L1362 WeakPolarHBondContact O-CD1 3.43Å; S1358-L1362 WeakPolarHBondContact O-CG 3.48Å; S1358-L1362 PolarHBondContact O-N 2.93Å; I1359-L1362 PolarHBondContact O-N 2.8Å; V1360-L1362 VanDerWaalsContact C-N 3.35Å; V1360-L1362 PolarHBondContact O-N 3.23Å |
| 1363 | S | 89.4 | Confident | 92.1 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -124.6 | -92.3 | -179.9 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | I1359 | I1359-S1363 PolarHBondContact O-N 3.05Å; I1359-S1363 PolarHBondContact O-OG 3.29Å |
| 1364 | S | 89.6 | Confident | 92.1 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | trans | 177.8 | 158.8 | 165.8 | 58.4 | 0 | 0 | 0 | 0 | 109.6 | V1360 D1366 R1367 V1368 | V1360-S1364 WeakPolarHBondContact O-CA 3.48Å; V1360-S1364 PolarHBondContact O-N 3.35Å; S1364-D1366 VanDerWaalsContact C-N 3.3Å; S1364-D1366 WeakPolarHBondContact CB-OD1 3.36Å; S1364-D1366 PolarHBondContact O-N 2.91Å; S1364-D1366 VanDerWaalsContact OG-CG 3.27Å; S1364-D1366 PolarHBondContact OG-OD1 3Å; S1364-D1366 PolarHBondContact OG-OD2 3.2Å; S1364-R1367 PolarHBondContact O-N 3.12Å; S1364-R1367 WeakPolarHBondContact OG-CG 3.33Å; S1364-V1368 WeakPolarHBondContact O-CG2 3.28Å; S1364-V1368 PolarHBondContact O-N 3.21Å | ||
| 1365 | A | 89.5 | Confident | 92.1 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -34.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | V1360 R1367 V1368 F1369 L1394 Y1398 I1402 | V1360-A1365 HydrophobicContact CG1-CB 4.01Å; A1365-R1367 VanDerWaalsContact C-N 3.33Å; A1365-R1367 PolarHBondContact O-N 3.47Å; A1365-V1368 PolarHBondContact O-N 3.09Å; A1365-F1369 VanDerWaalsContact O-CB 3.29Å; A1365-F1369 WeakPolarHBondContact O-CB 3.37Å; A1365-F1369 PolarHBondContact O-N 2.84Å; A1365-L1394 HydrophobicContact CB-CD2 4.39Å; A1365-Y1398 HydrophobicContact CB-CD1 4.32Å; A1365-Y1398 HydrophobicContact CB-CD2 3.7Å; A1365-Y1398 HydrophobicContact CB-CE2 3.97Å; A1365-Y1398 HydrophobicContact CB-CG 3.9Å; A1365-I1402 HydrophobicContact CB-CB 4.44Å; A1365-I1402 HydrophobicContact CB-CG2 3.84Å |
| 1366 | D | 90.1 | Very high | 92 | Very high | 72 Ų | 72 | 35.2 Ų | 35.2 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.9 | -28.3 | 177.8 | 61.4 | -67.6 | 0 | 0 | 0 | 113.2 | S1364 P1370 | S1364-D1366 VanDerWaalsContact C-N 3.3Å; S1364-D1366 WeakPolarHBondContact CB-OD1 3.36Å; S1364-D1366 PolarHBondContact O-N 2.91Å; S1364-D1366 VanDerWaalsContact OG-CG 3.27Å; S1364-D1366 PolarHBondContact OG-OD1 3Å; S1364-D1366 PolarHBondContact OG-OD2 3.2Å; D1366-P1370 WeakPolarHBondContact O-CD 3.41Å |
| 1367 | R | 91.3 | Very high | 91.8 | Very high | 90 Ų | 90 | 41.4 Ų | 41.4 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -81.3 | -33 | 174.9 | -69.8 | 179.6 | -177.1 | -170.1 | 2.7 | 112.5 | L1330 S1364 A1365 H1371 | L1330-R1367 HydrophobicContact CD2-CB 3.94Å; S1364-R1367 PolarHBondContact O-N 3.12Å; S1364-R1367 WeakPolarHBondContact OG-CG 3.33Å; A1365-R1367 VanDerWaalsContact C-N 3.33Å; A1365-R1367 PolarHBondContact O-N 3.47Å; R1367-H1371 PolarHBondContact O-CD2 3.23Å; R1367-H1371 VanDerWaalsContact O-CD2 3.22Å |
| 1368 | V | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.6 | -36.1 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | L1334 I1359 V1360 S1364 A1365 H1371 L1372 | L1334-V1368 HydrophobicContact CD2-CB 4.37Å; L1334-V1368 HydrophobicContact CD2-CG1 4.09Å; L1334-V1368 HydrophobicContact CD2-CG2 4.16Å; I1359-V1368 HydrophobicContact CG2-CG2 4.07Å; V1360-V1368 HydrophobicContact CG2-CB 4.08Å; V1360-V1368 HydrophobicContact CG2-CG1 4.02Å; V1360-V1368 HydrophobicContact CG2-CG2 3.89Å; S1364-V1368 WeakPolarHBondContact O-CG2 3.28Å; S1364-V1368 PolarHBondContact O-N 3.21Å; A1365-V1368 PolarHBondContact O-N 3.09Å; V1368-H1371 PolarHBondContact O-N 3.21Å; V1368-H1371 VanDerWaalsContact O-N 3.14Å; V1368-L1372 HydrophobicContact CG1-CD1 3.97Å; V1368-L1372 HydrophobicContact CG1-CG 4.34Å; V1368-L1372 PolarHBondContact O-N 3.43Å |
| 1369 | F | 94.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.022 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.9 | -46.2 | -175.5 | -178.2 | -82.7 | 0 | 0 | 0 | 114.5 | A1365 H1371 L1372 M1373 I1391 I1395 I1402 C1403 A1409 | A1365-F1369 VanDerWaalsContact O-CB 3.29Å; A1365-F1369 WeakPolarHBondContact O-CB 3.37Å; A1365-F1369 PolarHBondContact O-N 2.84Å; F1369-H1371 VanDerWaalsContact C-N 3.3Å; F1369-H1371 PolarHBondContact O-N 3.01Å; F1369-L1372 PolarHBondContact O-N 3.06Å; F1369-M1373 HydrophobicContact CD1-CG 3.98Å; F1369-M1373 HydrophobicContact CE1-CG 3.46Å; F1369-M1373 VanDerWaalsContact CE1-CG 3.46Å; F1369-M1373 HydrophobicContact CE1-SD 4.34Å; F1369-M1373 HydrophobicContact CZ-CG 3.85Å; F1369-M1373 HydrophobicContact CZ-SD 4.18Å; F1369-M1373 PolarHBondContact O-N 3.09Å; F1369-I1391 HydrophobicContact CE2-CG1 4.46Å; F1369-I1391 HydrophobicContact CE2-CG2 3.79Å; F1369-I1391 HydrophobicContact CZ-CG2 4.38Å; F1369-I1395 HydrophobicContact CE2-CD1 4.23Å; F1369-I1395 HydrophobicContact CE2-CG1 4.25Å; F1369-I1402 HydrophobicContact CD2-CD1 3.79Å; F1369-I1402 HydrophobicContact CD2-CG1 3.9Å; F1369-I1402 HydrophobicContact CE2-CD1 4.37Å; F1369-I1402 HydrophobicContact CE2-CG1 4.35Å; F1369-I1402 HydrophobicContact CG-CG1 4.39Å; F1369-C1403 HydrophobicContact CE1-CB 4.04Å; F1369-C1403 HydrophobicContact CZ-CB 4.08Å; F1369-C1403 WeakPolarHBondContact CZ-SG 3.39Å; F1369-A1409 HydrophobicContact CE1-CB 3.91Å; F1369-A1409 HydrophobicContact CZ-CB 3.94Å |
| 1370 | P | 93.1 | Very high | 90.9 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -37.2 | 176.9 | -26.2 | 34.9 | 0 | 0 | 0 | 113.8 | D1366 M1373 E1374 | D1366-P1370 WeakPolarHBondContact O-CD 3.41Å; P1370-M1373 PolarHBondContact O-N 3.1Å; P1370-E1374 PolarHBondContact O-N 3.14Å |
| 1371 | H | 93.4 | Very high | 90.9 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 22% | 0.222 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.1 | -36.4 | 178.1 | -66.3 | -70.9 | 0 | 0 | 0 | 112.4 | L1334 L1338 R1367 V1368 F1369 S1375 | L1334-H1371 HydrophobicContact CD2-CB 3.79Å; L1334-H1371 HydrophobicContact CG-CB 4.19Å; L1338-H1371 HydrophobicContact CD1-CB 3.89Å; L1338-H1371 WeakPolarHBondContact CD1-O 3.28Å; R1367-H1371 PolarHBondContact O-CD2 3.23Å; R1367-H1371 VanDerWaalsContact O-CD2 3.22Å; V1368-H1371 PolarHBondContact O-N 3.21Å; V1368-H1371 VanDerWaalsContact O-N 3.14Å; F1369-H1371 VanDerWaalsContact C-N 3.3Å; F1369-H1371 PolarHBondContact O-N 3.01Å; H1371-S1375 WeakPolarHBondContact O-CB 3.12Å; H1371-S1375 PolarHBondContact O-N 3.08Å; H1371-S1375 VanDerWaalsContact O-N 3.08Å; H1371-S1375 PolarHBondContact O-OG 2.93Å |
| 1372 | L | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 172.7 | -74.8 | 166.5 | 0 | 0 | 0 | 111.4 | L1338 V1368 F1369 E1374 S1375 C1376 C1387 T1390 I1391 L1394 | L1338-L1372 HydrophobicContact CD1-CD2 4.14Å; L1338-L1372 HydrophobicContact CD1-CG 4.35Å; L1338-L1372 HydrophobicContact CD2-CD2 3.55Å; L1338-L1372 HydrophobicContact CD2-CG 4.44Å; V1368-L1372 HydrophobicContact CG1-CD1 3.97Å; V1368-L1372 HydrophobicContact CG1-CG 4.34Å; V1368-L1372 PolarHBondContact O-N 3.43Å; F1369-L1372 PolarHBondContact O-N 3.06Å; L1372-E1374 VanDerWaalsContact C-N 3.32Å; L1372-E1374 PolarHBondContact O-N 3.35Å; L1372-S1375 WeakPolarHBondContact O-CB 3.49Å; L1372-S1375 PolarHBondContact O-N 3.4Å; L1372-S1375 VanDerWaalsContact O-N 3.15Å; L1372-C1376 PolarHBondContact O-N 3.11Å; L1372-C1376 VanDerWaalsContact O-N 3.08Å; L1372-C1376 PolarHBondContact O-SG 3.03Å; L1372-C1376 VanDerWaalsContact O-SG 3.35Å; L1372-C1387 HydrophobicContact CD2-CB 4.38Å; L1372-T1390 HydrophobicContact CD1-CG2 3.74Å; L1372-T1390 HydrophobicContact CD2-CG2 4.15Å; L1372-I1391 HydrophobicContact CB-CD1 3.98Å; L1372-I1391 HydrophobicContact CB-CG1 3.78Å; L1372-I1391 HydrophobicContact CD1-CG1 4.26Å; L1372-L1394 HydrophobicContact CD1-CD1 3.5Å; L1372-L1394 VanDerWaalsContact CD1-CD1 3.5Å |
| 1373 | M | 93.7 | Very high | 91.3 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 177.4 | -78.5 | -60.6 | -63.5 | 0 | 0 | 112.7 | F1369 P1370 C1376 I1391 A1412 I1413 | F1369-M1373 HydrophobicContact CD1-CG 3.98Å; F1369-M1373 HydrophobicContact CE1-CG 3.46Å; F1369-M1373 VanDerWaalsContact CE1-CG 3.46Å; F1369-M1373 HydrophobicContact CE1-SD 4.34Å; F1369-M1373 HydrophobicContact CZ-CG 3.85Å; F1369-M1373 HydrophobicContact CZ-SD 4.18Å; F1369-M1373 PolarHBondContact O-N 3.09Å; P1370-M1373 PolarHBondContact O-N 3.1Å; M1373-C1376 WeakPolarHBondContact O-CB 3.46Å; M1373-C1376 PolarHBondContact O-N 2.75Å; M1373-I1391 HydrophobicContact CG-CD1 4.2Å; M1373-I1391 HydrophobicContact SD-CD1 3.61Å; M1373-A1412 HydrophobicContact CE-CB 3.58Å; M1373-I1413 HydrophobicContact CE-CG1 4.19Å; M1373-I1413 HydrophobicContact SD-CD1 4.34Å; M1373-I1413 HydrophobicContact SD-CG1 3.94Å |
| 1374 | E | 92.5 | Very high | 91.6 | Very high | 113 Ų | 113 | 51.4 Ų | 51.4 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 174.8 | -168.1 | 58.3 | -147.1 | 0 | 0 | 111.5 | P1370 L1372 C1376 K1377 | P1370-E1374 PolarHBondContact O-N 3.14Å; L1372-E1374 VanDerWaalsContact C-N 3.32Å; L1372-E1374 PolarHBondContact O-N 3.35Å; E1374-C1376 VanDerWaalsContact C-N 3.28Å; E1374-C1376 PolarHBondContact O-N 3.26Å; E1374-K1377 WeakPolarHBondContact O-CB 3.35Å; E1374-K1377 PolarHBondContact O-N 3.45Å; E1374-K1377 VanDerWaalsContact O-N 3.09Å; E1374-K1377 IonicContact OE1-NZ 3.61Å; E1374-K1377 PolarHBondContact OE1-NZ 3.06Å; E1374-K1377 IonicContact OE2-NZ 2.85Å; E1374-K1377 PolarHBondContact OE2-NZ 3.33Å |
| 1375 | S | 91.2 | Very high | 91.9 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -27.4 | 178.9 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | L1338 H1371 L1372 K1377 A1378 | L1338-S1375 WeakPolarHBondContact CB-OG 3.31Å; L1338-S1375 WeakPolarHBondContact CD1-OG 3.4Å; H1371-S1375 WeakPolarHBondContact O-CB 3.12Å; H1371-S1375 PolarHBondContact O-N 3.08Å; H1371-S1375 VanDerWaalsContact O-N 3.08Å; H1371-S1375 PolarHBondContact O-OG 2.93Å; L1372-S1375 WeakPolarHBondContact O-CB 3.49Å; L1372-S1375 PolarHBondContact O-N 3.4Å; L1372-S1375 VanDerWaalsContact O-N 3.15Å; S1375-K1377 PolarHBondContact O-N 2.96Å; S1375-K1377 VanDerWaalsContact O-N 3.13Å; S1375-A1378 VanDerWaalsContact O-CB 3.27Å; S1375-A1378 WeakPolarHBondContact O-CB 3.5Å; S1375-A1378 PolarHBondContact O-N 3.49Å; S1375-A1378 VanDerWaalsContact O-N 3.11Å |
| 1376 | C | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.9 | 172.4 | -69.5 | 0 | 0 | 0 | 0 | 113.7 | L1372 M1373 E1374 A1378 R1384 C1387 Y1416 | L1372-C1376 PolarHBondContact O-N 3.11Å; L1372-C1376 VanDerWaalsContact O-N 3.08Å; L1372-C1376 PolarHBondContact O-SG 3.03Å; L1372-C1376 VanDerWaalsContact O-SG 3.35Å; M1373-C1376 WeakPolarHBondContact O-CB 3.46Å; M1373-C1376 PolarHBondContact O-N 2.75Å; E1374-C1376 VanDerWaalsContact C-N 3.28Å; E1374-C1376 PolarHBondContact O-N 3.26Å; C1376-A1378 VanDerWaalsContact C-N 3.27Å; C1376-A1378 PolarHBondContact O-N 2.92Å; C1376-R1384 WeakPolarHBondContact O-CD 3.37Å; C1376-R1384 WeakPolarHBondContact O-CG 3.3Å; C1376-C1387 WeakPolarHBondContact SG-CB 3.26Å; C1376-Y1416 VanDerWaalsContact C-OH 3.29Å; C1376-Y1416 HydrophobicContact CB-CE2 4.21Å; C1376-Y1416 WeakPolarHBondContact O-CE1 3.36Å; C1376-Y1416 PolarHBondContact O-OH 3.19Å |
| 1377 | K | 89.3 | Confident | 92.4 | Very high | 134 Ų | 134 | 49.3 Ų | 49.3 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.3 | 176.9 | -59.8 | 174.3 | -175 | 165.8 | 0 | 113.5 | E1374 S1375 | E1374-K1377 WeakPolarHBondContact O-CB 3.35Å; E1374-K1377 PolarHBondContact O-N 3.45Å; E1374-K1377 VanDerWaalsContact O-N 3.09Å; E1374-K1377 IonicContact OE1-NZ 3.61Å; E1374-K1377 PolarHBondContact OE1-NZ 3.06Å; E1374-K1377 IonicContact OE2-NZ 2.85Å; E1374-K1377 PolarHBondContact OE2-NZ 3.33Å; S1375-K1377 PolarHBondContact O-N 2.96Å; S1375-K1377 VanDerWaalsContact O-N 3.13Å |
| 1378 | A | 86.9 | Confident | 92.7 | Very high | 26 Ų | 26 | 45 Ų | 45 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -67.3 | 152 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1375 C1376 N1380 L1383 R1384 | S1375-A1378 VanDerWaalsContact O-CB 3.27Å; S1375-A1378 WeakPolarHBondContact O-CB 3.5Å; S1375-A1378 PolarHBondContact O-N 3.49Å; S1375-A1378 VanDerWaalsContact O-N 3.11Å; C1376-A1378 VanDerWaalsContact C-N 3.27Å; C1376-A1378 PolarHBondContact O-N 2.92Å; A1378-N1380 VanDerWaalsContact C-N 3.28Å; A1378-N1380 PolarHBondContact O-N 3.42Å; A1378-L1383 HydrophobicContact CB-CD2 3.49Å; A1378-L1383 VanDerWaalsContact CB-CD2 3.49Å; A1378-L1383 HydrophobicContact CB-CG 4.26Å; A1378-R1384 WeakPolarHBondContact O-CD 3.43Å; A1378-R1384 WeakPolarHBondContact O-CG 3.08Å; A1378-R1384 PolarHBondContact O-NE 3.26Å |
| 1379 | K | 82.1 | Confident | 92.7 | Very high | 212 Ų | 212 | 48 Ų | 48 | 92% | 0.922 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -70.1 | -20.8 | -179.5 | -66.4 | -179.5 | -179.1 | 174.9 | 0 | 114.2 | S1381 | K1379-S1381 PolarHBondContact O-N 2.75Š|
| 1380 | N | 89.4 | Confident | 92.7 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | trans | -77.8 | 113.4 | -177.8 | -179.9 | -18.1 | 0 | 0 | 0 | 109.8 | G1342 A1378 R1382 L1383 R1384 | G1342-N1380 PolarHBondContact O-ND2 2.94Å; A1378-N1380 VanDerWaalsContact C-N 3.28Å; A1378-N1380 PolarHBondContact O-N 3.42Å; N1380-R1382 VanDerWaalsContact C-N 3.32Å; N1380-R1382 PolarHBondContact O-N 3.26Å; N1380-R1382 WeakPolarHBondContact OD1-CB 3.45Å; N1380-R1382 PolarHBondContact OD1-N 3.21Å; N1380-L1383 HydrophobicContact CB-CB 3.94Å; N1380-L1383 WeakPolarHBondContact O-CB 3.49Å; N1380-L1383 PolarHBondContact O-N 2.89Å; N1380-L1383 PolarHBondContact OD1-N 3.03Å; N1380-R1384 WeakPolarHBondContact O-CG 3.32Å; N1380-R1384 PolarHBondContact O-N 2.93Å; N1380-R1384 VanDerWaalsContact O-N 3.16Å | ||
| 1381 | S | 91.6 | Very high | 92.8 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.3 | -35.8 | -177.2 | 61.4 | 0 | 0 | 0 | 0 | 113.3 | K1379 R1384 A1385 D1421 V1424 | K1379-S1381 PolarHBondContact O-N 2.75Å; S1381-R1384 PolarHBondContact O-N 3.31Å; S1381-A1385 PolarHBondContact O-N 3.03Å; S1381-D1421 WeakPolarHBondContact CB-OD2 3.36Å; S1381-D1421 PolarHBondContact OG-OD2 3.27Å; S1381-V1424 WeakPolarHBondContact O-CG2 3.44Å |
| 1382 | R | 92.5 | Very high | 92.9 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.5 | -174.3 | 173.9 | -67.5 | 127.3 | 0.7 | 111.6 | N1380 R1384 A1385 E1386 | N1380-R1382 VanDerWaalsContact C-N 3.32Å; N1380-R1382 PolarHBondContact O-N 3.26Å; N1380-R1382 WeakPolarHBondContact OD1-CB 3.45Å; N1380-R1382 PolarHBondContact OD1-N 3.21Å; R1382-R1384 VanDerWaalsContact C-N 3.33Å; R1382-R1384 PolarHBondContact O-N 3.4Å; R1382-A1385 PolarHBondContact O-N 2.77Å; R1382-E1386 HydrophobicContact CG-CG 4.42Å; R1382-E1386 VanDerWaalsContact O-CG 3.32Å; R1382-E1386 WeakPolarHBondContact O-CG 3.46Å; R1382-E1386 PolarHBondContact O-N 3.25Å |
| 1383 | L | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 175 | 172.4 | 56.1 | 0 | 0 | 0 | 111.1 | L1338 L1339 L1341 A1378 N1380 A1385 E1386 C1387 | L1338-L1383 WeakPolarHBondContact O-CD1 3.45Å; L1339-L1383 HydrophobicContact CD2-CD2 4.05Å; L1341-L1383 HydrophobicContact CB-CD1 3.75Å; A1378-L1383 HydrophobicContact CB-CD2 3.49Å; A1378-L1383 VanDerWaalsContact CB-CD2 3.49Å; A1378-L1383 HydrophobicContact CB-CG 4.26Å; N1380-L1383 HydrophobicContact CB-CB 3.94Å; N1380-L1383 WeakPolarHBondContact O-CB 3.49Å; N1380-L1383 PolarHBondContact O-N 2.89Å; N1380-L1383 PolarHBondContact OD1-N 3.03Å; L1383-A1385 PolarHBondContact O-N 2.97Å; L1383-E1386 PolarHBondContact O-N 3.41Å; L1383-C1387 VanDerWaalsContact CD1-SG 3.58Å; L1383-C1387 WeakPolarHBondContact O-CB 3.49Å; L1383-C1387 PolarHBondContact O-N 3.39Å; L1383-C1387 PolarHBondContact O-SG 2.92Å |
| 1384 | R | 96.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.2 | -63.6 | -169.4 | -70.8 | 155.2 | 13.5 | 112.6 | C1376 A1378 N1380 S1381 R1382 C1387 L1388 D1419 V1424 | C1376-R1384 WeakPolarHBondContact O-CD 3.37Å; C1376-R1384 WeakPolarHBondContact O-CG 3.3Å; A1378-R1384 WeakPolarHBondContact O-CD 3.43Å; A1378-R1384 WeakPolarHBondContact O-CG 3.08Å; A1378-R1384 PolarHBondContact O-NE 3.26Å; N1380-R1384 WeakPolarHBondContact O-CG 3.32Å; N1380-R1384 PolarHBondContact O-N 2.93Å; N1380-R1384 VanDerWaalsContact O-N 3.16Å; S1381-R1384 PolarHBondContact O-N 3.31Å; R1382-R1384 VanDerWaalsContact C-N 3.33Å; R1382-R1384 PolarHBondContact O-N 3.4Å; R1384-C1387 PolarHBondContact O-N 3.43Å; R1384-L1388 WeakPolarHBondContact O-CB 3.37Å; R1384-L1388 VanDerWaalsContact O-CG 3.3Å; R1384-L1388 WeakPolarHBondContact O-CG 3.34Å; R1384-L1388 PolarHBondContact O-N 2.84Å; R1384-D1419 IonicContact CZ-OD1 2.69Å; R1384-D1419 IonicContact CZ-OD2 2.79Å; R1384-D1419 IonicContact NH1-OD2 3.37Å; R1384-D1419 PolarHBondContact NH1-OD2 3.39Å; R1384-D1419 IonicContact NH2-OD1 2.74Å; R1384-D1419 PolarHBondContact NH2-OD1 3.33Å; R1384-D1419 IonicContact NH2-OD2 3.52Å; R1384-D1419 PolarHBondContact NH2-OD2 3.05Å; R1384-V1424 HydrophobicContact CB-CG1 4.4Å; R1384-V1424 HydrophobicContact CB-CG2 4.08Å |
| 1385 | A | 96.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1381 R1382 L1383 L1388 C1389 A1423 V1424 | S1381-A1385 PolarHBondContact O-N 3.03Å; R1382-A1385 PolarHBondContact O-N 2.77Å; L1383-A1385 PolarHBondContact O-N 2.97Å; A1385-L1388 PolarHBondContact O-N 3.47Å; A1385-C1389 WeakPolarHBondContact O-CB 3.42Å; A1385-C1389 PolarHBondContact O-N 3.3Å; A1385-C1389 PolarHBondContact O-SG 3.09Å; A1385-A1423 HydrophobicContact CB-CB 4.06Å; A1385-V1424 HydrophobicContact CB-CG2 4Å |
| 1386 | E | 95.1 | Very high | 92.9 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 177.4 | -66.8 | -72.1 | 170.6 | 0 | 0 | 111.8 | L1341 R1349 R1382 L1383 L1388 C1389 T1390 | L1341-E1386 HydrophobicContact CB-CB 4.11Å; R1349-E1386 IonicContact NE-OE1 3.49Å; R1349-E1386 PolarHBondContact NE-OE1 2.89Å; R1382-E1386 HydrophobicContact CG-CG 4.42Å; R1382-E1386 VanDerWaalsContact O-CG 3.32Å; R1382-E1386 WeakPolarHBondContact O-CG 3.46Å; R1382-E1386 PolarHBondContact O-N 3.25Å; L1383-E1386 PolarHBondContact O-N 3.41Å; E1386-L1388 PolarHBondContact O-N 3.4Å; E1386-C1389 WeakPolarHBondContact O-CB 3.41Å; E1386-C1389 PolarHBondContact O-N 2.89Å; E1386-T1390 PolarHBondContact O-N 3.23Å; E1386-T1390 PolarHBondContact O-OG1 3.44Å; E1386-T1390 VanDerWaalsContact O-OG1 3.11Å |
| 1387 | C | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.3 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | L1372 C1376 L1383 R1384 T1390 I1391 | L1372-C1387 HydrophobicContact CD2-CB 4.38Å; C1376-C1387 WeakPolarHBondContact SG-CB 3.26Å; L1383-C1387 VanDerWaalsContact CD1-SG 3.58Å; L1383-C1387 WeakPolarHBondContact O-CB 3.49Å; L1383-C1387 PolarHBondContact O-N 3.39Å; L1383-C1387 PolarHBondContact O-SG 2.92Å; R1384-C1387 PolarHBondContact O-N 3.43Å; C1387-T1390 PolarHBondContact O-N 3.18Å; C1387-I1391 WeakPolarHBondContact O-CB 3.37Å; C1387-I1391 WeakPolarHBondContact O-CD1 3.2Å; C1387-I1391 VanDerWaalsContact O-CG1 3.29Å; C1387-I1391 WeakPolarHBondContact O-CG1 3.49Å; C1387-I1391 PolarHBondContact O-N 2.87Å |
| 1388 | L | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 176.5 | -75.5 | 167.3 | 0 | 0 | 0 | 111.8 | R1384 A1385 E1386 I1391 G1392 I1413 Y1416 V1424 A1427 A1428 S1431 | R1384-L1388 WeakPolarHBondContact O-CB 3.37Å; R1384-L1388 VanDerWaalsContact O-CG 3.3Å; R1384-L1388 WeakPolarHBondContact O-CG 3.34Å; R1384-L1388 PolarHBondContact O-N 2.84Å; A1385-L1388 PolarHBondContact O-N 3.47Å; E1386-L1388 PolarHBondContact O-N 3.4Å; L1388-I1391 HydrophobicContact CD2-CD1 4.5Å; L1388-I1391 WeakPolarHBondContact O-CB 3.17Å; L1388-I1391 PolarHBondContact O-N 2.92Å; L1388-G1392 PolarHBondContact O-N 3.45Å; L1388-I1413 HydrophobicContact CD2-CG1 4.47Å; L1388-I1413 HydrophobicContact CD2-CG2 4.22Å; L1388-Y1416 HydrophobicContact CD1-CD1 4.41Å; L1388-Y1416 HydrophobicContact CD1-CD2 4.4Å; L1388-Y1416 HydrophobicContact CD1-CG 4.02Å; L1388-Y1416 HydrophobicContact CD2-CD2 4.23Å; L1388-V1424 HydrophobicContact CD1-CG1 3.8Å; L1388-A1427 HydrophobicContact CB-CB 3.62Å; L1388-A1427 HydrophobicContact CD1-CB 4.42Å; L1388-A1428 HydrophobicContact CD1-CB 4.15Å; L1388-S1431 PolarHBondContact O-OG 3.31Å |
| 1389 | C | 95.2 | Very high | 93 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.7 | -47 | 173 | -76.8 | 0 | 0 | 0 | 0 | 111.6 | A1385 E1386 I1391 G1392 A1393 | A1385-C1389 WeakPolarHBondContact O-CB 3.42Å; A1385-C1389 PolarHBondContact O-N 3.3Å; A1385-C1389 PolarHBondContact O-SG 3.09Å; E1386-C1389 WeakPolarHBondContact O-CB 3.41Å; E1386-C1389 PolarHBondContact O-N 2.89Å; C1389-I1391 PolarHBondContact O-N 3.5Å; C1389-G1392 PolarHBondContact O-N 3.27Å; C1389-A1393 PolarHBondContact O-N 2.97Å |
| 1390 | T | 94 | Very high | 93.3 | Very high | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.129 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.4 | -54 | 0 | 0 | 0 | 0 | 111.6 | L1356 L1372 E1386 C1387 G1392 A1393 L1394 | L1356-T1390 HydrophobicContact CD1-CG2 4.44Å; L1372-T1390 HydrophobicContact CD1-CG2 3.74Å; L1372-T1390 HydrophobicContact CD2-CG2 4.15Å; E1386-T1390 PolarHBondContact O-N 3.23Å; E1386-T1390 PolarHBondContact O-OG1 3.44Å; E1386-T1390 VanDerWaalsContact O-OG1 3.11Å; C1387-T1390 PolarHBondContact O-N 3.18Å; T1390-G1392 VanDerWaalsContact C-N 3.31Å; T1390-G1392 PolarHBondContact O-N 2.88Å; T1390-A1393 PolarHBondContact O-N 2.99Å; T1390-L1394 HydrophobicContact CG2-CD1 4.49Å; T1390-L1394 WeakPolarHBondContact O-CG 3.36Å; T1390-L1394 PolarHBondContact O-N 3.15Å |
| 1391 | I | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 173.9 | -75.4 | 160.6 | 0 | 0 | 0 | 111 | F1369 L1372 M1373 C1387 L1388 C1389 A1393 L1394 I1395 I1413 | F1369-I1391 HydrophobicContact CE2-CG1 4.46Å; F1369-I1391 HydrophobicContact CE2-CG2 3.79Å; F1369-I1391 HydrophobicContact CZ-CG2 4.38Å; L1372-I1391 HydrophobicContact CB-CD1 3.98Å; L1372-I1391 HydrophobicContact CB-CG1 3.78Å; L1372-I1391 HydrophobicContact CD1-CG1 4.26Å; M1373-I1391 HydrophobicContact CG-CD1 4.2Å; M1373-I1391 HydrophobicContact SD-CD1 3.61Å; C1387-I1391 WeakPolarHBondContact O-CB 3.37Å; C1387-I1391 WeakPolarHBondContact O-CD1 3.2Å; C1387-I1391 VanDerWaalsContact O-CG1 3.29Å; C1387-I1391 WeakPolarHBondContact O-CG1 3.49Å; C1387-I1391 PolarHBondContact O-N 2.87Å; L1388-I1391 HydrophobicContact CD2-CD1 4.5Å; L1388-I1391 WeakPolarHBondContact O-CB 3.17Å; L1388-I1391 PolarHBondContact O-N 2.92Å; C1389-I1391 PolarHBondContact O-N 3.5Å; I1391-A1393 PolarHBondContact O-N 3.45Å; I1391-L1394 PolarHBondContact O-N 3.2Å; I1391-I1395 HydrophobicContact CG2-CD1 3.85Å; I1391-I1395 WeakPolarHBondContact O-CG1 3.46Å; I1391-I1395 PolarHBondContact O-N 2.9Å; I1391-I1413 HydrophobicContact CG2-CD1 3.69Å; I1391-I1413 HydrophobicContact CG2-CG1 4.47Å |
| 1392 | G | 94.7 | Very high | 93 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1388 C1389 T1390 I1395 E1396 S1431 S1434 | L1388-G1392 PolarHBondContact O-N 3.45Å; C1389-G1392 PolarHBondContact O-N 3.27Å; T1390-G1392 VanDerWaalsContact C-N 3.31Å; T1390-G1392 PolarHBondContact O-N 2.88Å; G1392-I1395 PolarHBondContact O-N 3.21Å; G1392-E1396 WeakPolarHBondContact O-CB 3.32Å; G1392-E1396 PolarHBondContact O-N 3.24Å; G1392-S1431 WeakPolarHBondContact CA-OG 3.24Å; G1392-S1431 PolarHBondContact N-OG 3.04Å; G1392-S1434 PolarHBondContact O-OG 2.85Å |
| 1393 | A | 92.8 | Very high | 92.7 | Very high | 48 Ų | 48 | 26.2 Ų | 26.2 | 40% | 0.397 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C1389 T1390 I1391 E1396 T1397 | C1389-A1393 PolarHBondContact O-N 2.97Å; T1390-A1393 PolarHBondContact O-N 2.99Å; I1391-A1393 PolarHBondContact O-N 3.45Å; A1393-E1396 PolarHBondContact O-N 3.1Å; A1393-T1397 WeakPolarHBondContact O-CB 3.48Å; A1393-T1397 PolarHBondContact O-N 3.5Å; A1393-T1397 PolarHBondContact O-OG1 3.25Å |
| 1394 | L | 93 | Very high | 92 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 6% | 0.058 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.2 | -71.5 | 178.2 | 0 | 0 | 0 | 111.7 | V1360 A1365 L1372 T1390 I1391 T1397 Y1398 I1402 | V1360-L1394 HydrophobicContact CG1-CD2 4.38Å; V1360-L1394 HydrophobicContact CG2-CD2 4.08Å; A1365-L1394 HydrophobicContact CB-CD2 4.39Å; L1372-L1394 HydrophobicContact CD1-CD1 3.5Å; L1372-L1394 VanDerWaalsContact CD1-CD1 3.5Å; T1390-L1394 HydrophobicContact CG2-CD1 4.49Å; T1390-L1394 WeakPolarHBondContact O-CG 3.36Å; T1390-L1394 PolarHBondContact O-N 3.15Å; I1391-L1394 PolarHBondContact O-N 3.2Å; L1394-T1397 PolarHBondContact O-N 3.06Å; L1394-Y1398 HydrophobicContact CD2-CD2 3.94Å; L1394-Y1398 HydrophobicContact CD2-CE2 3.74Å; L1394-Y1398 WeakPolarHBondContact O-CD2 3.42Å; L1394-Y1398 PolarHBondContact O-N 3.08Å; L1394-I1402 HydrophobicContact CB-CD1 3.56Å |
| 1395 | I | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.1 | -68 | 169.4 | 0 | 0 | 0 | 110.5 | F1369 I1391 G1392 T1397 G1399 V1400 I1402 L1410 I1413 A1435 H1438 | F1369-I1395 HydrophobicContact CE2-CD1 4.23Å; F1369-I1395 HydrophobicContact CE2-CG1 4.25Å; I1391-I1395 HydrophobicContact CG2-CD1 3.85Å; I1391-I1395 WeakPolarHBondContact O-CG1 3.46Å; I1391-I1395 PolarHBondContact O-N 2.9Å; G1392-I1395 PolarHBondContact O-N 3.21Å; I1395-T1397 VanDerWaalsContact C-N 3.29Å; I1395-T1397 PolarHBondContact O-N 3.44Å; I1395-G1399 WeakPolarHBondContact O-CA 3.34Å; I1395-G1399 PolarHBondContact O-N 3.37Å; I1395-V1400 HydrophobicContact CG2-CG2 3.87Å; I1395-I1402 HydrophobicContact CG1-CD1 4.33Å; I1395-L1410 HydrophobicContact CD1-CD2 4.47Å; I1395-I1413 HydrophobicContact CD1-CD1 4.14Å; I1395-A1435 HydrophobicContact CG2-CB 4.18Å; I1395-H1438 PolarHBondContact O-CD2 3.34Å; I1395-H1438 PolarHBondContact O-NE2 3.15Å |
| 1396 | E | 92.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 31.6 Ų | 31.6 | 39% | 0.393 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.8 | -170.8 | 170.8 | -173.8 | 0 | 0 | 111.1 | G1392 A1393 H1438 K1467 | G1392-E1396 WeakPolarHBondContact O-CB 3.32Å; G1392-E1396 PolarHBondContact O-N 3.24Å; A1393-E1396 PolarHBondContact O-N 3.1Å; E1396-H1438 PolarHBondContact O-NE2 3.11Å; E1396-K1467 IonicContact OE1-NZ 3.66Å |
| 1397 | T | 90.4 | Very high | 90.9 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 45% | 0.448 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -81.8 | -45.8 | -174.1 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | A1393 L1394 I1395 | A1393-T1397 WeakPolarHBondContact O-CB 3.48Å; A1393-T1397 PolarHBondContact O-N 3.5Å; A1393-T1397 PolarHBondContact O-OG1 3.25Å; L1394-T1397 PolarHBondContact O-N 3.06Å; I1395-T1397 VanDerWaalsContact C-N 3.29Å; I1395-T1397 PolarHBondContact O-N 3.44Å |
| 1398 | Y | 89.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -109.2 | -1.9 | -171.7 | -59.3 | -82 | 0 | 0 | 0 | 113.5 | V1360 A1365 L1394 S1401 I1402 V1473 | V1360-Y1398 HydrophobicContact CG1-CE2 4.02Å; V1360-Y1398 WeakPolarHBondContact CG1-OH 3.4Å; A1365-Y1398 HydrophobicContact CB-CD1 4.32Å; A1365-Y1398 HydrophobicContact CB-CD2 3.7Å; A1365-Y1398 HydrophobicContact CB-CE2 3.97Å; A1365-Y1398 HydrophobicContact CB-CG 3.9Å; L1394-Y1398 HydrophobicContact CD2-CD2 3.94Å; L1394-Y1398 HydrophobicContact CD2-CE2 3.74Å; L1394-Y1398 WeakPolarHBondContact O-CD2 3.42Å; L1394-Y1398 PolarHBondContact O-N 3.08Å; Y1398-S1401 PolarHBondContact O-OG 3.49Å; Y1398-I1402 HydrophobicContact CG-CG2 4.4Å; Y1398-V1473 WeakPolarHBondContact O-CG1 3.38Å |
| 1399 | G | 90.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | 78.1 | 179 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1395 S1401 I1402 | I1395-G1399 WeakPolarHBondContact O-CA 3.34Å; I1395-G1399 PolarHBondContact O-N 3.37Å; G1399-S1401 VanDerWaalsContact C-N 3.25Å; G1399-S1401 PolarHBondContact O-N 3.17Å; G1399-I1402 WeakPolarHBondContact O-CG1 3.3Å | ||
| 1400 | V | 88.9 | Confident | 90.2 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -77.1 | -12.5 | -174.8 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | I1395 I1402 C1403 P1406 L1410 A1435 H1438 I1439 | I1395-V1400 HydrophobicContact CG2-CG2 3.87Å; V1400-I1402 PolarHBondContact O-N 3Å; V1400-C1403 VanDerWaalsContact O-CB 3.25Å; V1400-C1403 WeakPolarHBondContact O-CB 3.46Å; V1400-C1403 PolarHBondContact O-N 3.36Å; V1400-C1403 VanDerWaalsContact O-N 3.09Å; V1400-C1403 PolarHBondContact O-SG 3.42Å; V1400-P1406 HydrophobicContact CG1-CB 3.57Å; V1400-P1406 HydrophobicContact CG1-CG 3.91Å; V1400-L1410 HydrophobicContact CG1-CD1 3.91Å; V1400-L1410 HydrophobicContact CG1-CG 4.44Å; V1400-A1435 HydrophobicContact CG2-CB 4.15Å; V1400-H1438 HydrophobicContact CG2-CB 3.69Å; V1400-I1439 HydrophobicContact CB-CG2 4.32Å; V1400-I1439 HydrophobicContact CG2-CG2 4.1Å |
| 1401 | S | 85.1 | Confident | 90.1 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 57% | 0.566 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -59.1 | -30.4 | 179.6 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | Y1398 G1399 C1403 G1404 | Y1398-S1401 PolarHBondContact O-OG 3.49Å; G1399-S1401 VanDerWaalsContact C-N 3.25Å; G1399-S1401 PolarHBondContact O-N 3.17Å; S1401-C1403 PolarHBondContact O-N 3.49Å; S1401-C1403 VanDerWaalsContact O-N 3.07Å; S1401-G1404 PolarHBondContact O-N 3.34Å |
| 1402 | I | 89.3 | Confident | 89.9 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -61.8 | -17 | 177.3 | 69.3 | 178.7 | 0 | 0 | 0 | 113.6 | A1365 F1369 L1394 I1395 Y1398 G1399 V1400 G1404 | A1365-I1402 HydrophobicContact CB-CB 4.44Å; A1365-I1402 HydrophobicContact CB-CG2 3.84Å; F1369-I1402 HydrophobicContact CD2-CD1 3.79Å; F1369-I1402 HydrophobicContact CD2-CG1 3.9Å; F1369-I1402 HydrophobicContact CE2-CD1 4.37Å; F1369-I1402 HydrophobicContact CE2-CG1 4.35Å; F1369-I1402 HydrophobicContact CG-CG1 4.39Å; L1394-I1402 HydrophobicContact CB-CD1 3.56Å; I1395-I1402 HydrophobicContact CG1-CD1 4.33Å; Y1398-I1402 HydrophobicContact CG-CG2 4.4Å; G1399-I1402 WeakPolarHBondContact O-CG1 3.3Å; V1400-I1402 PolarHBondContact O-N 3Å; I1402-G1404 PolarHBondContact O-N 3.29Å |
| 1403 | C | 85.9 | Confident | 89.9 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -71 | -16.7 | -179.4 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | F1369 V1400 S1401 S1405 A1409 | F1369-C1403 HydrophobicContact CE1-CB 4.04Å; F1369-C1403 HydrophobicContact CZ-CB 4.08Å; F1369-C1403 WeakPolarHBondContact CZ-SG 3.39Å; V1400-C1403 VanDerWaalsContact O-CB 3.25Å; V1400-C1403 WeakPolarHBondContact O-CB 3.46Å; V1400-C1403 PolarHBondContact O-N 3.36Å; V1400-C1403 VanDerWaalsContact O-N 3.09Å; V1400-C1403 PolarHBondContact O-SG 3.42Å; S1401-C1403 PolarHBondContact O-N 3.49Å; S1401-C1403 VanDerWaalsContact O-N 3.07Å; C1403-S1405 PolarHBondContact O-N 3.33Å; C1403-A1409 HydrophobicContact CB-CB 3.69Å |
| 1404 | G | 81.4 | Confident | 90 | Very high | 72 Ų | 72 | 39.2 Ų | 39.2 | 74% | 0.742 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 68.1 | -59.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1401 I1402 P1406 | S1401-G1404 PolarHBondContact O-N 3.34Å; I1402-G1404 PolarHBondContact O-N 3.29Å; G1404-P1406 WeakPolarHBondContact O-CD 3.36Å |
| 1405 | S | 87.5 | Confident | 90 | Very high | 57 Ų | 57 | 44.7 Ų | 44.7 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -114.5 | 89.5 | 168 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | C1403 Q1407 V1408 A1409 | C1403-S1405 PolarHBondContact O-N 3.33Å; S1405-Q1407 VanDerWaalsContact C-N 3.26Å; S1405-Q1407 PolarHBondContact O-N 2.95Å; S1405-V1408 PolarHBondContact O-N 3.06Å; S1405-V1408 VanDerWaalsContact OG-CG2 3.27Å; S1405-V1408 WeakPolarHBondContact OG-CG2 3.32Å; S1405-A1409 WeakPolarHBondContact O-CB 3.43Å; S1405-A1409 PolarHBondContact O-N 3.22Å |
| 1406 | P | 87.5 | Confident | 90 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -47 | -45.7 | 176.4 | -34.7 | 39.1 | 0 | 0 | 0 | 114 | V1400 G1404 A1409 L1410 F1446 | V1400-P1406 HydrophobicContact CG1-CB 3.57Å; V1400-P1406 HydrophobicContact CG1-CG 3.91Å; G1404-P1406 WeakPolarHBondContact O-CD 3.36Å; P1406-A1409 PolarHBondContact O-N 3.28Å; P1406-L1410 VanDerWaalsContact O-CB 3.23Å; P1406-L1410 WeakPolarHBondContact O-CB 3.35Å; P1406-L1410 WeakPolarHBondContact O-CD1 3.35Å; P1406-L1410 WeakPolarHBondContact O-CG 3.41Å; P1406-L1410 PolarHBondContact O-N 3.1Å; P1406-F1446 HydrophobicContact CB-CE2 4.13Å |
| 1407 | Q | 88.5 | Confident | 90.2 | Very high | 108 Ų | 108 | 42.3 Ų | 42.3 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | -177.1 | -174.9 | 177.2 | 0.1 | 0 | 0 | 112 | S1405 K1411 F1446 | S1405-Q1407 VanDerWaalsContact C-N 3.26Å; S1405-Q1407 PolarHBondContact O-N 2.95Å; Q1407-K1411 WeakPolarHBondContact O-CB 3.45Å; Q1407-K1411 PolarHBondContact O-N 3.42Å; Q1407-K1411 VanDerWaalsContact O-N 3.12Å; Q1407-F1446 HydrophobicContact CB-CD1 3.99Å; Q1407-F1446 HydrophobicContact CB-CE1 4.32Å; Q1407-F1446 HydrophobicContact CB-CG 4.15Å; Q1407-F1446 HydrophobicContact CG-CB 4.31Å; Q1407-F1446 HydrophobicContact CG-CD1 3.87Å; Q1407-F1446 HydrophobicContact CG-CG 4.21Å |
| 1408 | V | 87.5 | Confident | 90.1 | Very high | 100 Ų | 100 | 42.6 Ų | 42.6 | 61% | 0.606 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.5 | -44.1 | 179.8 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | S1405 A1412 | S1405-V1408 PolarHBondContact O-N 3.06Å; S1405-V1408 VanDerWaalsContact OG-CG2 3.27Å; S1405-V1408 WeakPolarHBondContact OG-CG2 3.32Å; V1408-A1412 WeakPolarHBondContact O-CB 3.22Å; V1408-A1412 PolarHBondContact O-N 3.25Å |
| 1409 | A | 91.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -48.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1369 C1403 S1405 P1406 K1411 A1412 I1413 | F1369-A1409 HydrophobicContact CE1-CB 3.91Å; F1369-A1409 HydrophobicContact CZ-CB 3.94Å; C1403-A1409 HydrophobicContact CB-CB 3.69Å; S1405-A1409 WeakPolarHBondContact O-CB 3.43Å; S1405-A1409 PolarHBondContact O-N 3.22Å; P1406-A1409 PolarHBondContact O-N 3.28Å; A1409-K1411 PolarHBondContact O-N 3.42Å; A1409-A1412 WeakPolarHBondContact O-CB 3.13Å; A1409-A1412 PolarHBondContact O-N 3.09Å; A1409-A1412 VanDerWaalsContact O-N 3.15Å; A1409-I1413 WeakPolarHBondContact O-CG1 3.36Å; A1409-I1413 PolarHBondContact O-N 3.36Å |
| 1410 | L | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.4 | -37.1 | -179.1 | -66.3 | 172.2 | 0 | 0 | 0 | 112 | I1395 V1400 P1406 A1412 I1413 A1414 L1432 A1435 I1439 L1443 F1446 | I1395-L1410 HydrophobicContact CD1-CD2 4.47Å; V1400-L1410 HydrophobicContact CG1-CD1 3.91Å; V1400-L1410 HydrophobicContact CG1-CG 4.44Å; P1406-L1410 VanDerWaalsContact O-CB 3.23Å; P1406-L1410 WeakPolarHBondContact O-CB 3.35Å; P1406-L1410 WeakPolarHBondContact O-CD1 3.35Å; P1406-L1410 WeakPolarHBondContact O-CG 3.41Å; P1406-L1410 PolarHBondContact O-N 3.1Å; L1410-A1412 VanDerWaalsContact C-N 3.31Å; L1410-A1412 PolarHBondContact O-N 3.18Å; L1410-I1413 HydrophobicContact CD2-CD1 4.29Å; L1410-I1413 PolarHBondContact O-N 2.94Å; L1410-A1414 WeakPolarHBondContact O-CB 3.15Å; L1410-A1414 PolarHBondContact O-N 3.43Å; L1410-L1432 HydrophobicContact CB-CD2 4.47Å; L1410-L1432 HydrophobicContact CD2-CD2 4.14Å; L1410-A1435 HydrophobicContact CD1-CB 4.17Å; L1410-A1435 HydrophobicContact CD2-CB 3.3Å; L1410-A1435 HydrophobicContact CG-CB 4.39Å; L1410-I1439 HydrophobicContact CD1-CD1 3.64Å; L1410-L1443 HydrophobicContact CB-CD1 4.43Å; L1410-L1443 HydrophobicContact CD1-CD1 3.93Å; L1410-L1443 HydrophobicContact CD2-CD1 4.42Å; L1410-L1443 HydrophobicContact CG-CD1 4.5Å; L1410-F1446 HydrophobicContact CD1-CD2 3.88Å |
| 1411 | K | 92.3 | Very high | 90.5 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 171.7 | -171.5 | 168.2 | -176.8 | 162.6 | 0 | 111.9 | Q1407 A1409 A1414 Q1415 S1448 | Q1407-K1411 WeakPolarHBondContact O-CB 3.45Å; Q1407-K1411 PolarHBondContact O-N 3.42Å; Q1407-K1411 VanDerWaalsContact O-N 3.12Å; A1409-K1411 PolarHBondContact O-N 3.42Å; K1411-A1414 PolarHBondContact O-N 3.23Å; K1411-Q1415 PolarHBondContact O-N 3.44Å; K1411-S1448 PolarHBondContact NZ-O 2.97Å |
| 1412 | A | 91.5 | Very high | 90.9 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1373 V1408 A1409 L1410 A1414 Q1415 Y1416 | M1373-A1412 HydrophobicContact CE-CB 3.58Å; V1408-A1412 WeakPolarHBondContact O-CB 3.22Å; V1408-A1412 PolarHBondContact O-N 3.25Å; A1409-A1412 WeakPolarHBondContact O-CB 3.13Å; A1409-A1412 PolarHBondContact O-N 3.09Å; A1409-A1412 VanDerWaalsContact O-N 3.15Å; L1410-A1412 VanDerWaalsContact C-N 3.31Å; L1410-A1412 PolarHBondContact O-N 3.18Å; A1412-A1414 VanDerWaalsContact C-N 3.34Å; A1412-Q1415 PolarHBondContact O-N 2.91Å; A1412-Y1416 VanDerWaalsContact O-CD2 3.26Å; A1412-Y1416 WeakPolarHBondContact O-CD2 3.29Å; A1412-Y1416 WeakPolarHBondContact O-CE2 3.36Å |
| 1413 | I | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.1 | -66.5 | 164.8 | 0 | 0 | 0 | 110.5 | M1373 L1388 I1391 I1395 A1409 L1410 Q1415 Y1416 L1432 | M1373-I1413 HydrophobicContact CE-CG1 4.19Å; M1373-I1413 HydrophobicContact SD-CD1 4.34Å; M1373-I1413 HydrophobicContact SD-CG1 3.94Å; L1388-I1413 HydrophobicContact CD2-CG1 4.47Å; L1388-I1413 HydrophobicContact CD2-CG2 4.22Å; I1391-I1413 HydrophobicContact CG2-CD1 3.69Å; I1391-I1413 HydrophobicContact CG2-CG1 4.47Å; I1395-I1413 HydrophobicContact CD1-CD1 4.14Å; A1409-I1413 WeakPolarHBondContact O-CG1 3.36Å; A1409-I1413 PolarHBondContact O-N 3.36Å; L1410-I1413 HydrophobicContact CD2-CD1 4.29Å; L1410-I1413 PolarHBondContact O-N 2.94Å; I1413-Q1415 VanDerWaalsContact C-N 3.28Å; I1413-Q1415 PolarHBondContact O-N 3.03Å; I1413-Y1416 WeakPolarHBondContact O-CB 3.37Å; I1413-Y1416 PolarHBondContact O-N 3.35Å; I1413-Y1416 VanDerWaalsContact O-N 3.08Å; I1413-L1432 HydrophobicContact CB-CD2 4.25Å; I1413-L1432 HydrophobicContact CG2-CD1 4.49Å; I1413-L1432 HydrophobicContact CG2-CD2 3.95Å; I1413-L1432 HydrophobicContact CG2-CG 3.85Å |
| 1414 | A | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -27.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1410 K1411 A1412 Y1416 I1417 L1432 V1447 L1450 | L1410-A1414 WeakPolarHBondContact O-CB 3.15Å; L1410-A1414 PolarHBondContact O-N 3.43Å; K1411-A1414 PolarHBondContact O-N 3.23Å; A1412-A1414 VanDerWaalsContact C-N 3.34Å; A1414-Y1416 PolarHBondContact O-N 2.72Å; A1414-I1417 HydrophobicContact CB-CD1 4.34Å; A1414-I1417 WeakPolarHBondContact O-CB 3.45Å; A1414-I1417 VanDerWaalsContact O-CG1 3.32Å; A1414-I1417 WeakPolarHBondContact O-CG1 3.47Å; A1414-I1417 PolarHBondContact O-N 2.97Å; A1414-I1417 VanDerWaalsContact O-N 3.11Å; A1414-L1432 HydrophobicContact CB-CD1 3.98Å; A1414-L1432 HydrophobicContact CB-CD2 4.42Å; A1414-V1447 HydrophobicContact CB-CB 3.84Å; A1414-V1447 HydrophobicContact CB-CG1 3.79Å; A1414-L1450 HydrophobicContact CB-CD1 4.19Å; A1414-L1450 HydrophobicContact CB-CD2 3.99Å |
| 1415 | Q | 92.2 | Very high | 92.3 | Very high | 126 Ų | 126 | 55.1 Ų | 55.1 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -59.4 | -27.5 | 173.4 | -68.9 | 174.7 | 0.7 | 0 | 0 | 112.7 | K1411 A1412 I1413 I1417 S1418 | K1411-Q1415 PolarHBondContact O-N 3.44Å; A1412-Q1415 PolarHBondContact O-N 2.91Å; I1413-Q1415 VanDerWaalsContact C-N 3.28Å; I1413-Q1415 PolarHBondContact O-N 3.03Å; Q1415-I1417 VanDerWaalsContact C-N 3.3Å; Q1415-I1417 PolarHBondContact O-N 3.49Å; Q1415-S1418 PolarHBondContact O-N 2.97Å; Q1415-S1418 PolarHBondContact O-OG 3.4Å |
| 1416 | Y | 95.8 | Very high | 92.7 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -78.7 | -5.5 | 179.6 | -64.2 | -81 | 0 | 0 | 0 | 114.2 | C1376 L1388 A1412 I1413 A1414 S1418 D1419 V1424 | C1376-Y1416 VanDerWaalsContact C-OH 3.29Å; C1376-Y1416 HydrophobicContact CB-CE2 4.21Å; C1376-Y1416 WeakPolarHBondContact O-CE1 3.36Å; C1376-Y1416 PolarHBondContact O-OH 3.19Å; L1388-Y1416 HydrophobicContact CD1-CD1 4.41Å; L1388-Y1416 HydrophobicContact CD1-CD2 4.4Å; L1388-Y1416 HydrophobicContact CD1-CG 4.02Å; L1388-Y1416 HydrophobicContact CD2-CD2 4.23Å; A1412-Y1416 VanDerWaalsContact O-CD2 3.26Å; A1412-Y1416 WeakPolarHBondContact O-CD2 3.29Å; A1412-Y1416 WeakPolarHBondContact O-CE2 3.36Å; I1413-Y1416 WeakPolarHBondContact O-CB 3.37Å; I1413-Y1416 PolarHBondContact O-N 3.35Å; I1413-Y1416 VanDerWaalsContact O-N 3.08Å; A1414-Y1416 PolarHBondContact O-N 2.72Å; Y1416-S1418 PolarHBondContact O-N 2.85Å; Y1416-D1419 VanDerWaalsContact O-CB 3.3Å; Y1416-D1419 WeakPolarHBondContact O-CB 3.27Å; Y1416-D1419 PolarHBondContact O-N 3.49Å; Y1416-V1424 HydrophobicContact CD1-CG1 4.06Å |
| 1417 | I | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -62.4 | -29.6 | 170.2 | -60.3 | 169.5 | 0 | 0 | 0 | 110.8 | A1414 Q1415 D1419 R1425 L1429 L1432 L1450 D1454 M1457 L1458 | A1414-I1417 HydrophobicContact CB-CD1 4.34Å; A1414-I1417 WeakPolarHBondContact O-CB 3.45Å; A1414-I1417 VanDerWaalsContact O-CG1 3.32Å; A1414-I1417 WeakPolarHBondContact O-CG1 3.47Å; A1414-I1417 PolarHBondContact O-N 2.97Å; A1414-I1417 VanDerWaalsContact O-N 3.11Å; Q1415-I1417 VanDerWaalsContact C-N 3.3Å; Q1415-I1417 PolarHBondContact O-N 3.49Å; I1417-D1419 VanDerWaalsContact C-N 3.3Å; I1417-D1419 PolarHBondContact O-N 3.09Å; I1417-R1425 WeakPolarHBondContact O-CD 3.4Å; I1417-R1425 WeakPolarHBondContact O-CG 3.44Å; I1417-L1429 HydrophobicContact CD1-CD2 4.07Å; I1417-L1429 HydrophobicContact CG1-CD2 3.98Å; I1417-L1429 HydrophobicContact CG1-CG 4.32Å; I1417-L1429 HydrophobicContact CG2-CD2 4.12Å; I1417-L1429 HydrophobicContact CG2-CG 4.48Å; I1417-L1432 HydrophobicContact CD1-CD1 3.61Å; I1417-L1432 HydrophobicContact CG1-CD1 4.08Å; I1417-L1450 HydrophobicContact CD1-CD1 4.22Å; I1417-D1454 HydrophobicContact CB-CB 4.41Å; I1417-D1454 HydrophobicContact CG2-CB 3.87Å; I1417-M1457 HydrophobicContact CG2-CB 4.5Å; I1417-M1457 HydrophobicContact CG2-CE 4.26Å; I1417-L1458 HydrophobicContact CD1-CB 4.36Å |
| 1418 | S | 89.2 | Confident | 93.6 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -85.3 | 5.1 | 178.8 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | Q1415 Y1416 | Q1415-S1418 PolarHBondContact O-N 2.97Å; Q1415-S1418 PolarHBondContact O-OG 3.4Å; Y1416-S1418 PolarHBondContact O-N 2.85Å |
| 1419 | D | 95.1 | Very high | 94 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | trans | -64.3 | 147.6 | -174.2 | -157.9 | -87.9 | 0 | 0 | 0 | 113.5 | R1384 Y1416 I1417 D1421 V1424 R1425 | R1384-D1419 IonicContact CZ-OD1 2.69Å; R1384-D1419 IonicContact CZ-OD2 2.79Å; R1384-D1419 IonicContact NH1-OD2 3.37Å; R1384-D1419 PolarHBondContact NH1-OD2 3.39Å; R1384-D1419 IonicContact NH2-OD1 2.74Å; R1384-D1419 PolarHBondContact NH2-OD1 3.33Å; R1384-D1419 IonicContact NH2-OD2 3.52Å; R1384-D1419 PolarHBondContact NH2-OD2 3.05Å; Y1416-D1419 VanDerWaalsContact O-CB 3.3Å; Y1416-D1419 WeakPolarHBondContact O-CB 3.27Å; Y1416-D1419 PolarHBondContact O-N 3.49Å; I1417-D1419 VanDerWaalsContact C-N 3.3Å; I1417-D1419 PolarHBondContact O-N 3.09Å; D1419-D1421 VanDerWaalsContact C-N 3.28Å; D1419-D1421 PolarHBondContact O-N 3.02Å; D1419-D1421 WeakPolarHBondContact OD1-CB 3.4Å; D1419-D1421 PolarHBondContact OD1-N 3.15Å; D1419-V1424 HydrophobicContact CB-CB 3.99Å; D1419-V1424 HydrophobicContact CB-CG1 3.63Å; D1419-R1425 HydrophobicContact CB-CG 3.91Å; D1419-R1425 WeakPolarHBondContact O-CD 3.39Å; D1419-R1425 WeakPolarHBondContact O-CG 3.41Å; D1419-R1425 PolarHBondContact O-NE 3.14Å | ||
| 1420 | R | 88.8 | Confident | 94.2 | Very high | 199 Ų | 199 | 46.4 Ų | 46.4 | 75% | 0.751 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -67 | -32.1 | 178.7 | -60.4 | -177.9 | -176.1 | -164.3 | -2.1 | 112.2 | ||
| 1421 | D | 93.5 | Very high | 94.2 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 28% | 0.278 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.6 | 126 | -179.2 | -170.7 | -67.8 | 0 | 0 | 0 | 110.6 | S1381 D1419 A1423 V1424 R1425 | S1381-D1421 WeakPolarHBondContact CB-OD2 3.36Å; S1381-D1421 PolarHBondContact OG-OD2 3.27Å; D1419-D1421 VanDerWaalsContact C-N 3.28Å; D1419-D1421 PolarHBondContact O-N 3.02Å; D1419-D1421 WeakPolarHBondContact OD1-CB 3.4Å; D1419-D1421 PolarHBondContact OD1-N 3.15Å; D1421-A1423 VanDerWaalsContact C-N 3.31Å; D1421-A1423 PolarHBondContact O-N 3.32Å; D1421-A1423 WeakPolarHBondContact OD1-CA 2.86Å; D1421-A1423 VanDerWaalsContact OD1-CB 3.3Å; D1421-A1423 WeakPolarHBondContact OD1-CB 3.35Å; D1421-A1423 PolarHBondContact OD1-N 3.01Å; D1421-V1424 HydrophobicContact CB-CB 4.21Å; D1421-V1424 HydrophobicContact CB-CG2 3.82Å; D1421-V1424 PolarHBondContact O-N 3.34Å; D1421-V1424 PolarHBondContact OD1-N 3.46Å; D1421-R1425 PolarHBondContact O-N 3.3Å; D1421-R1425 VanDerWaalsContact O-N 3.13Å |
| 1422 | N | 92.5 | Very high | 94.4 | Very high | 96 Ų | 96 | 42.5 Ų | 42.5 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.7 | -31 | -176.2 | -166.6 | 34.3 | 0 | 0 | 0 | 112.8 | R1425 N1426 | N1422-R1425 PolarHBondContact OD1-NH2 3.04Å; N1422-N1426 WeakPolarHBondContact O-CB 3.4Å; N1422-N1426 PolarHBondContact O-N 3.1Å; N1422-N1426 PolarHBondContact O-ND2 3.37Å; N1422-N1426 PolarHBondContact OD1-ND2 3.13Å |
| 1423 | A | 93.1 | Very high | 94.6 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 44% | 0.438 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -69.6 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | A1385 D1421 N1426 A1427 | A1385-A1423 HydrophobicContact CB-CB 4.06Å; D1421-A1423 VanDerWaalsContact C-N 3.31Å; D1421-A1423 PolarHBondContact O-N 3.32Å; D1421-A1423 WeakPolarHBondContact OD1-CA 2.86Å; D1421-A1423 VanDerWaalsContact OD1-CB 3.3Å; D1421-A1423 WeakPolarHBondContact OD1-CB 3.35Å; D1421-A1423 PolarHBondContact OD1-N 3.01Å; A1423-N1426 PolarHBondContact O-N 2.85Å; A1423-A1427 WeakPolarHBondContact O-CB 3.43Å; A1423-A1427 PolarHBondContact O-N 2.98Å |
| 1424 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | S1381 R1384 A1385 L1388 Y1416 D1419 D1421 N1426 A1427 A1428 | S1381-V1424 WeakPolarHBondContact O-CG2 3.44Å; R1384-V1424 HydrophobicContact CB-CG1 4.4Å; R1384-V1424 HydrophobicContact CB-CG2 4.08Å; A1385-V1424 HydrophobicContact CB-CG2 4Å; L1388-V1424 HydrophobicContact CD1-CG1 3.8Å; Y1416-V1424 HydrophobicContact CD1-CG1 4.06Å; D1419-V1424 HydrophobicContact CB-CB 3.99Å; D1419-V1424 HydrophobicContact CB-CG1 3.63Å; D1421-V1424 HydrophobicContact CB-CB 4.21Å; D1421-V1424 HydrophobicContact CB-CG2 3.82Å; D1421-V1424 PolarHBondContact O-N 3.34Å; D1421-V1424 PolarHBondContact OD1-N 3.46Å; V1424-N1426 VanDerWaalsContact C-N 3.34Å; V1424-N1426 PolarHBondContact O-N 3.08Å; V1424-A1427 PolarHBondContact O-N 3.12Å; V1424-A1428 PolarHBondContact O-N 3.39Å |
| 1425 | R | 95.7 | Very high | 94.4 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58 | -45.3 | 176.8 | -70.1 | -167.3 | -80.1 | 145.2 | 2.9 | 112.5 | I1417 D1419 D1421 N1422 A1428 L1429 | I1417-R1425 WeakPolarHBondContact O-CD 3.4Å; I1417-R1425 WeakPolarHBondContact O-CG 3.44Å; D1419-R1425 HydrophobicContact CB-CG 3.91Å; D1419-R1425 WeakPolarHBondContact O-CD 3.39Å; D1419-R1425 WeakPolarHBondContact O-CG 3.41Å; D1419-R1425 PolarHBondContact O-NE 3.14Å; D1421-R1425 PolarHBondContact O-N 3.3Å; D1421-R1425 VanDerWaalsContact O-N 3.13Å; N1422-R1425 PolarHBondContact OD1-NH2 3.04Å; R1425-A1428 PolarHBondContact O-N 3.14Å; R1425-L1429 WeakPolarHBondContact O-CB 3.4Å; R1425-L1429 WeakPolarHBondContact O-CG 3.46Å; R1425-L1429 PolarHBondContact O-N 3.34Å |
| 1426 | N | 95.9 | Very high | 94.3 | Very high | 48 Ų | 48 | 38 Ų | 38 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 179.2 | -79.3 | -57.6 | 0 | 0 | 0 | 112.6 | N1422 A1423 V1424 L1429 N1430 R1461 | N1422-N1426 WeakPolarHBondContact O-CB 3.4Å; N1422-N1426 PolarHBondContact O-N 3.1Å; N1422-N1426 PolarHBondContact O-ND2 3.37Å; N1422-N1426 PolarHBondContact OD1-ND2 3.13Å; A1423-N1426 PolarHBondContact O-N 2.85Å; V1424-N1426 VanDerWaalsContact C-N 3.34Å; V1424-N1426 PolarHBondContact O-N 3.08Å; N1426-L1429 PolarHBondContact O-N 3.49Å; N1426-N1430 WeakPolarHBondContact O-CB 3.48Å; N1426-N1430 PolarHBondContact O-N 3.05Å; N1426-N1430 PolarHBondContact O-ND2 3.25Å; N1426-R1461 PolarHBondContact OD1-NH2 2.84Å |
| 1427 | A | 96.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | L1388 A1423 V1424 L1429 N1430 S1431 | L1388-A1427 HydrophobicContact CB-CB 3.62Å; L1388-A1427 HydrophobicContact CD1-CB 4.42Å; A1423-A1427 WeakPolarHBondContact O-CB 3.43Å; A1423-A1427 PolarHBondContact O-N 2.98Å; V1424-A1427 PolarHBondContact O-N 3.12Å; A1427-L1429 PolarHBondContact O-N 2.93Å; A1427-N1430 PolarHBondContact O-N 3.27Å; A1427-S1431 PolarHBondContact O-N 2.79Å; A1427-S1431 PolarHBondContact O-OG 3.04Å |
| 1428 | A | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1388 V1424 R1425 N1430 S1431 L1432 | L1388-A1428 HydrophobicContact CD1-CB 4.15Å; V1424-A1428 PolarHBondContact O-N 3.39Å; R1425-A1428 PolarHBondContact O-N 3.14Å; A1428-N1430 PolarHBondContact O-N 2.89Å; A1428-S1431 PolarHBondContact O-N 3.49Å; A1428-L1432 WeakPolarHBondContact O-CG 3.46Å; A1428-L1432 PolarHBondContact O-N 3.41Å |
| 1429 | L | 96.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 176.9 | -75.6 | 170 | 0 | 0 | 0 | 111.8 | I1417 R1425 N1426 A1427 S1431 L1432 V1433 M1457 L1458 R1461 | I1417-L1429 HydrophobicContact CD1-CD2 4.07Å; I1417-L1429 HydrophobicContact CG1-CD2 3.98Å; I1417-L1429 HydrophobicContact CG1-CG 4.32Å; I1417-L1429 HydrophobicContact CG2-CD2 4.12Å; I1417-L1429 HydrophobicContact CG2-CG 4.48Å; R1425-L1429 WeakPolarHBondContact O-CB 3.4Å; R1425-L1429 WeakPolarHBondContact O-CG 3.46Å; R1425-L1429 PolarHBondContact O-N 3.34Å; N1426-L1429 PolarHBondContact O-N 3.49Å; A1427-L1429 PolarHBondContact O-N 2.93Å; L1429-S1431 PolarHBondContact O-N 3.23Å; L1429-L1432 PolarHBondContact O-N 3.28Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.41Å; L1429-V1433 PolarHBondContact O-N 3.33Å; L1429-M1457 HydrophobicContact CD1-CE 3.94Å; L1429-L1458 HydrophobicContact CD2-CB 4.17Å; L1429-L1458 HydrophobicContact CD2-CD1 4.21Å; L1429-R1461 HydrophobicContact CB-CG 4.18Å; L1429-R1461 HydrophobicContact CD2-CB 4.43Å |
| 1430 | N | 95.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 38.7 Ų | 38.7 | 38% | 0.38 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -39.7 | 179 | -69.3 | -19.2 | 0 | 0 | 0 | 111.9 | N1426 A1427 A1428 L1432 V1433 S1434 | N1426-N1430 WeakPolarHBondContact O-CB 3.48Å; N1426-N1430 PolarHBondContact O-N 3.05Å; N1426-N1430 PolarHBondContact O-ND2 3.25Å; A1427-N1430 PolarHBondContact O-N 3.27Å; A1428-N1430 PolarHBondContact O-N 2.89Å; N1430-L1432 VanDerWaalsContact C-N 3.31Å; N1430-L1432 PolarHBondContact O-N 3.47Å; N1430-V1433 WeakPolarHBondContact O-CB 3.34Å; N1430-V1433 PolarHBondContact O-N 3.39Å; N1430-S1434 PolarHBondContact O-N 2.97Å; N1430-S1434 PolarHBondContact O-OG 3.49Å |
| 1431 | S | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -35 | 176.4 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | L1388 G1392 A1427 A1428 L1429 S1434 A1435 | L1388-S1431 PolarHBondContact O-OG 3.31Å; G1392-S1431 WeakPolarHBondContact CA-OG 3.24Å; G1392-S1431 PolarHBondContact N-OG 3.04Å; A1427-S1431 PolarHBondContact O-N 2.79Å; A1427-S1431 PolarHBondContact O-OG 3.04Å; A1428-S1431 PolarHBondContact O-N 3.49Å; L1429-S1431 PolarHBondContact O-N 3.23Å; S1431-S1434 PolarHBondContact O-N 3.46Å; S1431-A1435 PolarHBondContact O-N 2.82Å |
| 1432 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.4 | -32.6 | 173.2 | -68.1 | 170.1 | 0 | 0 | 0 | 112.6 | L1410 I1413 A1414 I1417 A1428 L1429 N1430 A1435 H1436 L1443 V1447 L1458 | L1410-L1432 HydrophobicContact CB-CD2 4.47Å; L1410-L1432 HydrophobicContact CD2-CD2 4.14Å; I1413-L1432 HydrophobicContact CB-CD2 4.25Å; I1413-L1432 HydrophobicContact CG2-CD1 4.49Å; I1413-L1432 HydrophobicContact CG2-CD2 3.95Å; I1413-L1432 HydrophobicContact CG2-CG 3.85Å; A1414-L1432 HydrophobicContact CB-CD1 3.98Å; A1414-L1432 HydrophobicContact CB-CD2 4.42Å; I1417-L1432 HydrophobicContact CD1-CD1 3.61Å; I1417-L1432 HydrophobicContact CG1-CD1 4.08Å; A1428-L1432 WeakPolarHBondContact O-CG 3.46Å; A1428-L1432 PolarHBondContact O-N 3.41Å; L1429-L1432 PolarHBondContact O-N 3.28Å; N1430-L1432 VanDerWaalsContact C-N 3.31Å; N1430-L1432 PolarHBondContact O-N 3.47Å; L1432-A1435 CarbonylContact O-C 3.57Å; L1432-A1435 PolarHBondContact O-N 3.38Å; L1432-H1436 WeakPolarHBondContact O-CB 3.29Å; L1432-H1436 PolarHBondContact O-N 2.99Å; L1432-L1443 HydrophobicContact CB-CD2 4.41Å; L1432-L1443 HydrophobicContact CD2-CD1 4.11Å; L1432-L1443 WeakPolarHBondContact O-CD2 3.36Å; L1432-V1447 HydrophobicContact CD2-CG1 3.97Å; L1432-L1458 HydrophobicContact CB-CD1 3.73Å; L1432-L1458 HydrophobicContact CD1-CD1 4.02Å; L1432-L1458 HydrophobicContact CD1-CD2 4.35Å |
| 1433 | V | 94.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 170.3 | 168 | 0 | 0 | 0 | 0 | 110.1 | L1429 N1430 A1435 H1436 M1437 R1461 I1462 | L1429-V1433 WeakPolarHBondContact O-CG2 3.41Å; L1429-V1433 PolarHBondContact O-N 3.33Å; N1430-V1433 WeakPolarHBondContact O-CB 3.34Å; N1430-V1433 PolarHBondContact O-N 3.39Å; V1433-A1435 VanDerWaalsContact C-N 3.26Å; V1433-A1435 PolarHBondContact O-N 2.99Å; V1433-H1436 WeakPolarHBondContact O-CB 3.41Å; V1433-H1436 PolarHBondContact O-N 3.08Å; V1433-H1436 VanDerWaalsContact O-N 3.13Å; V1433-M1437 HydrophobicContact CG1-CE 3.72Å; V1433-M1437 WeakPolarHBondContact O-CG 3.26Å; V1433-M1437 PolarHBondContact O-N 3.25Å; V1433-R1461 HydrophobicContact CG2-CB 4.42Å; V1433-R1461 HydrophobicContact CG2-CG 3.88Å; V1433-I1462 HydrophobicContact CG2-CG1 4.01Å |
| 1434 | S | 92.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 8% | 0.077 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | 173.5 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | G1392 N1430 S1431 H1438 | G1392-S1434 PolarHBondContact O-OG 2.85Å; N1430-S1434 PolarHBondContact O-N 2.97Å; N1430-S1434 PolarHBondContact O-OG 3.49Å; S1431-S1434 PolarHBondContact O-N 3.46Å; S1434-H1438 PolarHBondContact O-CD2 3.36Å; S1434-H1438 VanDerWaalsContact O-CD2 3.26Å |
| 1435 | A | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1395 V1400 L1410 S1431 L1432 V1433 M1437 H1438 I1439 L1443 | I1395-A1435 HydrophobicContact CG2-CB 4.18Å; V1400-A1435 HydrophobicContact CG2-CB 4.15Å; L1410-A1435 HydrophobicContact CD1-CB 4.17Å; L1410-A1435 HydrophobicContact CD2-CB 3.3Å; L1410-A1435 HydrophobicContact CG-CB 4.39Å; S1431-A1435 PolarHBondContact O-N 2.82Å; L1432-A1435 CarbonylContact O-C 3.57Å; L1432-A1435 PolarHBondContact O-N 3.38Å; V1433-A1435 VanDerWaalsContact C-N 3.26Å; V1433-A1435 PolarHBondContact O-N 2.99Å; A1435-M1437 PolarHBondContact O-N 2.99Å; A1435-H1438 PolarHBondContact O-N 3.08Å; A1435-I1439 VanDerWaalsContact O-CG1 3.27Å; A1435-I1439 WeakPolarHBondContact O-CG1 3.42Å; A1435-I1439 PolarHBondContact O-N 3.39Å; A1435-L1443 HydrophobicContact CB-CD1 4.21Å |
| 1436 | H | 91.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.8 | -39.1 | 177.9 | -175.1 | 60.3 | 0 | 0 | 0 | 111.2 | L1432 V1433 H1438 G1440 L1443 I1462 | L1432-H1436 WeakPolarHBondContact O-CB 3.29Å; L1432-H1436 PolarHBondContact O-N 2.99Å; V1433-H1436 WeakPolarHBondContact O-CB 3.41Å; V1433-H1436 PolarHBondContact O-N 3.08Å; V1433-H1436 VanDerWaalsContact O-N 3.13Å; H1436-H1438 VanDerWaalsContact C-N 3.31Å; H1436-H1438 PolarHBondContact O-N 3.48Å; H1436-G1440 VanDerWaalsContact CE1-C 3.4Å; H1436-G1440 PolarHBondContact CE1-O 2.84Å; H1436-G1440 PolarHBondContact ND1-O 3.29Å; H1436-G1440 WeakPolarHBondContact O-CA 3.48Å; H1436-G1440 PolarHBondContact O-N 3.05Å; H1436-L1443 HydrophobicContact CB-CD2 3.56Å; H1436-I1462 HydrophobicContact CB-CD1 4.06Å; H1436-I1462 HydrophobicContact CB-CG1 4.29Å; H1436-I1462 WeakPolarHBondContact CD2-CG2 3.36Å; H1436-I1462 WeakPolarHBondContact NE2-CG2 3.39Å |
| 1437 | M | 88.3 | Confident | 91.4 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.8 | -51.7 | 174.3 | -70.2 | 177.2 | -178.4 | 0 | 0 | 109.8 | V1433 A1435 K1467 L1469 | V1433-M1437 HydrophobicContact CG1-CE 3.72Å; V1433-M1437 WeakPolarHBondContact O-CG 3.26Å; V1433-M1437 PolarHBondContact O-N 3.25Å; A1435-M1437 PolarHBondContact O-N 2.99Å; M1437-K1467 HydrophobicContact CE-CB 3.33Å; M1437-K1467 HydrophobicContact CE-CD 3.98Å; M1437-K1467 HydrophobicContact CE-CG 4.32Å; M1437-K1467 HydrophobicContact SD-CB 4.34Å; M1437-L1469 HydrophobicContact CB-CD1 3.63Å; M1437-L1469 HydrophobicContact CB-CG 3.97Å; M1437-L1469 WeakPolarHBondContact O-CD1 3.5Å |
| 1438 | H | 87.1 | Confident | 90.2 | Very high | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.222 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.3 | -33.4 | -175 | -75.7 | -70.6 | 0 | 0 | 0 | 115.7 | I1395 E1396 V1400 S1434 A1435 H1436 | I1395-H1438 PolarHBondContact O-CD2 3.34Å; I1395-H1438 PolarHBondContact O-NE2 3.15Å; E1396-H1438 PolarHBondContact O-NE2 3.11Å; V1400-H1438 HydrophobicContact CG2-CB 3.69Å; S1434-H1438 PolarHBondContact O-CD2 3.36Å; S1434-H1438 VanDerWaalsContact O-CD2 3.26Å; A1435-H1438 PolarHBondContact O-N 3.08Å; H1436-H1438 VanDerWaalsContact C-N 3.31Å; H1436-H1438 PolarHBondContact O-N 3.48Å |
| 1439 | I | 89 | Confident | 89.2 | Confident | 40 Ų | 40 | 46.9 Ų | 46.9 | 21% | 0.205 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -117.9 | -1 | -174.6 | 61.8 | 164.1 | 0 | 0 | 0 | 114.7 | V1400 L1410 A1435 K1442 L1443 F1446 | V1400-I1439 HydrophobicContact CB-CG2 4.32Å; V1400-I1439 HydrophobicContact CG2-CG2 4.1Å; L1410-I1439 HydrophobicContact CD1-CD1 3.64Å; A1435-I1439 VanDerWaalsContact O-CG1 3.27Å; A1435-I1439 WeakPolarHBondContact O-CG1 3.42Å; A1435-I1439 PolarHBondContact O-N 3.39Å; I1439-K1442 HydrophobicContact CB-CB 4.37Å; I1439-K1442 HydrophobicContact CD1-CB 4.44Å; I1439-K1442 WeakPolarHBondContact O-CB 3.38Å; I1439-K1442 PolarHBondContact O-N 3.2Å; I1439-L1443 HydrophobicContact CD1-CB 4.05Å; I1439-L1443 HydrophobicContact CD1-CD1 4.26Å; I1439-L1443 HydrophobicContact CG1-CB 4.24Å; I1439-F1446 HydrophobicContact CD1-CD2 3.39Å; I1439-F1446 HydrophobicContact CD1-CE2 3.64Å; I1439-F1446 HydrophobicContact CD1-CG 4.47Å |
| 1440 | G | 88 | Confident | 88.6 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 26% | 0.258 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -139.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1436 K1442 L1443 | H1436-G1440 VanDerWaalsContact CE1-C 3.4Å; H1436-G1440 PolarHBondContact CE1-O 2.84Å; H1436-G1440 PolarHBondContact ND1-O 3.29Å; H1436-G1440 WeakPolarHBondContact O-CA 3.48Å; H1436-G1440 PolarHBondContact O-N 3.05Å; G1440-K1442 PolarHBondContact O-N 3.46Å; G1440-K1442 VanDerWaalsContact O-N 3.11Å; G1440-L1443 VanDerWaalsContact O-CB 3.32Å; G1440-L1443 WeakPolarHBondContact O-CB 3.33Å; G1440-L1443 PolarHBondContact O-N 3.24Å; G1440-L1443 VanDerWaalsContact O-N 3.08Å |
| 1441 | E | 86.1 | Confident | 88 | Confident | 158 Ų | 158 | 47.8 Ų | 47.8 | 74% | 0.738 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.7 | -179.3 | -62.6 | -170.8 | 168.7 | 0 | 0 | 114.2 | L1443 Y1444 | E1441-L1443 PolarHBondContact O-N 2.9Å; E1441-L1443 VanDerWaalsContact O-N 3.09Å; E1441-Y1444 HydrophobicContact CB-CD2 4.13Å; E1441-Y1444 HydrophobicContact CB-CE2 4.43Å; E1441-Y1444 HydrophobicContact CG-CE2 4.37Å; E1441-Y1444 WeakPolarHBondContact O-CD2 3.43Å; E1441-Y1444 PolarHBondContact O-N 3.4Å |
| 1442 | K | 86 | Confident | 87.2 | Confident | 140 Ų | 140 | 53 Ų | 53 | 61% | 0.609 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.5 | -23.9 | 172.9 | -65.4 | -179.7 | 179.8 | 173.6 | 0 | 111.7 | I1439 G1440 Y1444 K1445 F1446 | I1439-K1442 HydrophobicContact CB-CB 4.37Å; I1439-K1442 HydrophobicContact CD1-CB 4.44Å; I1439-K1442 WeakPolarHBondContact O-CB 3.38Å; I1439-K1442 PolarHBondContact O-N 3.2Å; G1440-K1442 PolarHBondContact O-N 3.46Å; G1440-K1442 VanDerWaalsContact O-N 3.11Å; K1442-Y1444 VanDerWaalsContact C-N 3.29Å; K1442-Y1444 PolarHBondContact O-N 2.91Å; K1442-K1445 PolarHBondContact O-N 3.48Å; K1442-F1446 PolarHBondContact O-N 3.3Å; K1442-F1446 VanDerWaalsContact O-N 3.15Å |
| 1443 | L | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.5 | -45.1 | 173.6 | -178.8 | 66.5 | 0 | 0 | 0 | 112 | L1410 L1432 A1435 H1436 I1439 G1440 E1441 K1445 F1446 V1447 L1458 I1462 | L1410-L1443 HydrophobicContact CB-CD1 4.43Å; L1410-L1443 HydrophobicContact CD1-CD1 3.93Å; L1410-L1443 HydrophobicContact CD2-CD1 4.42Å; L1410-L1443 HydrophobicContact CG-CD1 4.5Å; L1432-L1443 HydrophobicContact CB-CD2 4.41Å; L1432-L1443 HydrophobicContact CD2-CD1 4.11Å; L1432-L1443 WeakPolarHBondContact O-CD2 3.36Å; A1435-L1443 HydrophobicContact CB-CD1 4.21Å; H1436-L1443 HydrophobicContact CB-CD2 3.56Å; I1439-L1443 HydrophobicContact CD1-CB 4.05Å; I1439-L1443 HydrophobicContact CD1-CD1 4.26Å; I1439-L1443 HydrophobicContact CG1-CB 4.24Å; G1440-L1443 VanDerWaalsContact O-CB 3.32Å; G1440-L1443 WeakPolarHBondContact O-CB 3.33Å; G1440-L1443 PolarHBondContact O-N 3.24Å; G1440-L1443 VanDerWaalsContact O-N 3.08Å; E1441-L1443 PolarHBondContact O-N 2.9Å; E1441-L1443 VanDerWaalsContact O-N 3.09Å; L1443-K1445 VanDerWaalsContact C-N 3.26Å; L1443-K1445 PolarHBondContact O-N 2.99Å; L1443-F1446 PolarHBondContact O-N 3Å; L1443-V1447 HydrophobicContact CD1-CG1 3.77Å; L1443-V1447 HydrophobicContact CG-CG1 4.15Å; L1443-V1447 WeakPolarHBondContact O-CG2 3.24Å; L1443-V1447 PolarHBondContact O-N 2.97Å; L1443-L1458 HydrophobicContact CD2-CD2 4.41Å; L1443-I1462 HydrophobicContact CD2-CD1 4.14Å |
| 1444 | Y | 90.3 | Very high | 86.5 | Confident | 62 Ų | 62 | 61 Ų | 61 | 24% | 0.243 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | -177.7 | -60.3 | -66.4 | 0 | 0 | 0 | 111.9 | E1441 K1442 S1448 M1455 E1459 I1462 | E1441-Y1444 HydrophobicContact CB-CD2 4.13Å; E1441-Y1444 HydrophobicContact CB-CE2 4.43Å; E1441-Y1444 HydrophobicContact CG-CE2 4.37Å; E1441-Y1444 WeakPolarHBondContact O-CD2 3.43Å; E1441-Y1444 PolarHBondContact O-N 3.4Å; K1442-Y1444 VanDerWaalsContact C-N 3.29Å; K1442-Y1444 PolarHBondContact O-N 2.91Å; Y1444-S1448 VanDerWaalsContact O-CB 3.32Å; Y1444-S1448 WeakPolarHBondContact O-CB 3.46Å; Y1444-S1448 PolarHBondContact O-N 2.65Å; Y1444-M1455 HydrophobicContact CD1-SD 3.96Å; Y1444-E1459 HydrophobicContact CE1-CG 3.86Å; Y1444-I1462 HydrophobicContact CE1-CD1 4.2Å |
| 1445 | K | 87.5 | Confident | 86.4 | Confident | 169 Ų | 169 | 62 Ų | 62 | 74% | 0.735 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.1 | -35.9 | 173.3 | -67.5 | -175.3 | 178.7 | 178.6 | 0 | 112.3 | K1442 L1443 | K1442-K1445 PolarHBondContact O-N 3.48Å; L1443-K1445 VanDerWaalsContact C-N 3.26Å; L1443-K1445 PolarHBondContact O-N 2.99Å |
| 1446 | F | 88.1 | Confident | 86.2 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76.5 | -35.4 | -178.2 | -69 | -9.6 | 0 | 0 | 0 | 113.5 | P1406 Q1407 L1410 I1439 K1442 L1443 | P1406-F1446 HydrophobicContact CB-CE2 4.13Å; Q1407-F1446 HydrophobicContact CB-CD1 3.99Å; Q1407-F1446 HydrophobicContact CB-CE1 4.32Å; Q1407-F1446 HydrophobicContact CB-CG 4.15Å; Q1407-F1446 HydrophobicContact CG-CB 4.31Å; Q1407-F1446 HydrophobicContact CG-CD1 3.87Å; Q1407-F1446 HydrophobicContact CG-CG 4.21Å; L1410-F1446 HydrophobicContact CD1-CD2 3.88Å; I1439-F1446 HydrophobicContact CD1-CD2 3.39Å; I1439-F1446 HydrophobicContact CD1-CE2 3.64Å; I1439-F1446 HydrophobicContact CD1-CG 4.47Å; K1442-F1446 PolarHBondContact O-N 3.3Å; K1442-F1446 VanDerWaalsContact O-N 3.15Å; L1443-F1446 PolarHBondContact O-N 3Å |
| 1447 | V | 88.5 | Confident | 86 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83.5 | -18.9 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | A1414 L1432 L1443 L1450 M1455 L1458 | A1414-V1447 HydrophobicContact CB-CB 3.84Å; A1414-V1447 HydrophobicContact CB-CG1 3.79Å; L1432-V1447 HydrophobicContact CD2-CG1 3.97Å; L1443-V1447 HydrophobicContact CD1-CG1 3.77Å; L1443-V1447 HydrophobicContact CG-CG1 4.15Å; L1443-V1447 WeakPolarHBondContact O-CG2 3.24Å; L1443-V1447 PolarHBondContact O-N 2.97Å; V1447-L1450 HydrophobicContact CB-CD1 3.86Å; V1447-L1450 HydrophobicContact CB-CG 4.37Å; V1447-L1450 HydrophobicContact CG2-CD1 3.64Å; V1447-L1450 HydrophobicContact CG2-CG 4.39Å; V1447-M1455 HydrophobicContact CG2-CE 4.21Å; V1447-M1455 HydrophobicContact CG2-SD 4.35Å; V1447-L1458 HydrophobicContact CG2-CD2 4.19Å |
| 1448 | S | 72.6 | Confident | 86.3 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | trans | -64.4 | 141.6 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 113 | K1411 Y1444 | K1411-S1448 PolarHBondContact NZ-O 2.97Å; Y1444-S1448 VanDerWaalsContact O-CB 3.32Å; Y1444-S1448 WeakPolarHBondContact O-CB 3.46Å; Y1444-S1448 PolarHBondContact O-N 2.65Å | ||
| 1449 | P | 76.7 | Confident | 86.5 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | S | Bend | cis | -85.3 | 135.4 | -1 | 30.3 | -28.1 | 0 | 0 | 0 | 112.9 | ||
| 1450 | L | 82.9 | Confident | 86.4 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | trans | -117.5 | 156.8 | 167.6 | -74.2 | 173.9 | 0 | 0 | 0 | 109.5 | A1414 I1417 V1447 M1455 L1458 | A1414-L1450 HydrophobicContact CB-CD1 4.19Å; A1414-L1450 HydrophobicContact CB-CD2 3.99Å; I1417-L1450 HydrophobicContact CD1-CD1 4.22Å; V1447-L1450 HydrophobicContact CB-CD1 3.86Å; V1447-L1450 HydrophobicContact CB-CG 4.37Å; V1447-L1450 HydrophobicContact CG2-CD1 3.64Å; V1447-L1450 HydrophobicContact CG2-CG 4.39Å; L1450-M1455 HydrophobicContact CB-CB 4.46Å; L1450-M1455 HydrophobicContact CB-CE 4.21Å; L1450-M1455 HydrophobicContact CD1-CE 4.32Å; L1450-M1455 HydrophobicContact CD1-SD 4.08Å; L1450-L1458 HydrophobicContact CD1-CD2 4.46Å | ||
| 1451 | S | 82.7 | Confident | 86.5 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | trans | -63 | 151.7 | 172 | 77.4 | 0 | 0 | 0 | 0 | 110.6 | K1453 D1454 M1455 | S1451-K1453 PolarHBondContact O-N 2.69Å; S1451-D1454 PolarHBondContact O-N 3.4Å; S1451-D1454 VanDerWaalsContact O-N 3.13Å; S1451-D1454 WeakPolarHBondContact OG-CB 3.37Å; S1451-D1454 PolarHBondContact OG-N 2.8Å; S1451-D1454 VanDerWaalsContact OG-N 3.12Å; S1451-D1454 PolarHBondContact OG-OD2 3.32Å; S1451-M1455 WeakPolarHBondContact O-CB 3.39Å; S1451-M1455 PolarHBondContact O-N 2.98Å | ||
| 1452 | S | 78.5 | Confident | 86.7 | Confident | 111 Ų | 111 | 63.6 Ų | 63.6 | 78% | 0.776 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.2 | -36.6 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | S1456 | S1452-S1456 VanDerWaalsContact O-CB 3.27Å; S1452-S1456 WeakPolarHBondContact O-CB 3.48Å; S1452-S1456 PolarHBondContact O-N 2.93Å |
| 1453 | K | 84.9 | Confident | 86.7 | Confident | 151 Ų | 151 | 66.4 Ų | 66.4 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.2 | -48 | 175.9 | -176.2 | 178.9 | 179.9 | 176.4 | 0 | 112.4 | S1451 S1456 M1457 | S1451-K1453 PolarHBondContact O-N 2.69Å; K1453-S1456 PolarHBondContact O-N 2.9Å; K1453-M1457 WeakPolarHBondContact O-CG 3.45Å; K1453-M1457 PolarHBondContact O-N 2.92Å |
| 1454 | D | 90.7 | Very high | 86.2 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.4 | -37.3 | -179.1 | -62.9 | -36.4 | 0 | 0 | 0 | 111.4 | I1417 S1451 M1457 L1458 | I1417-D1454 HydrophobicContact CB-CB 4.41Å; I1417-D1454 HydrophobicContact CG2-CB 3.87Å; S1451-D1454 PolarHBondContact O-N 3.4Å; S1451-D1454 VanDerWaalsContact O-N 3.13Å; S1451-D1454 WeakPolarHBondContact OG-CB 3.37Å; S1451-D1454 PolarHBondContact OG-N 2.8Å; S1451-D1454 VanDerWaalsContact OG-N 3.12Å; S1451-D1454 PolarHBondContact OG-OD2 3.32Å; D1454-M1457 PolarHBondContact O-N 2.94Å; D1454-L1458 PolarHBondContact O-N 3.43Å |
| 1455 | M | 91.7 | Very high | 85.5 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 17% | 0.167 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | 174.8 | -165.5 | 67.5 | 92.2 | 0 | 0 | 111 | Y1444 V1447 L1450 S1451 M1457 L1458 E1459 | Y1444-M1455 HydrophobicContact CD1-SD 3.96Å; V1447-M1455 HydrophobicContact CG2-CE 4.21Å; V1447-M1455 HydrophobicContact CG2-SD 4.35Å; L1450-M1455 HydrophobicContact CB-CB 4.46Å; L1450-M1455 HydrophobicContact CB-CE 4.21Å; L1450-M1455 HydrophobicContact CD1-CE 4.32Å; L1450-M1455 HydrophobicContact CD1-SD 4.08Å; S1451-M1455 WeakPolarHBondContact O-CB 3.39Å; S1451-M1455 PolarHBondContact O-N 2.98Å; M1455-M1457 VanDerWaalsContact C-N 3.3Å; M1455-M1457 PolarHBondContact O-N 2.99Å; M1455-L1458 WeakPolarHBondContact O-CB 3.43Å; M1455-L1458 PolarHBondContact O-N 3.42Å; M1455-L1458 VanDerWaalsContact O-N 3.08Å; M1455-L1458 HydrophobicContact SD-CD2 4.42Å; M1455-E1459 HydrophobicContact CG-CG 4.46Å; M1455-E1459 WeakPolarHBondContact O-CG 3.49Å; M1455-E1459 PolarHBondContact O-N 3.43Å |
| 1456 | S | 87.5 | Confident | 83.9 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | S1452 K1453 E1460 | S1452-S1456 VanDerWaalsContact O-CB 3.27Å; S1452-S1456 WeakPolarHBondContact O-CB 3.48Å; S1452-S1456 PolarHBondContact O-N 2.93Å; K1453-S1456 PolarHBondContact O-N 2.9Å; S1456-E1460 WeakPolarHBondContact O-CB 3.31Å; S1456-E1460 PolarHBondContact O-N 3.24Å |
| 1457 | M | 88.3 | Confident | 81.9 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 27% | 0.266 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 173.8 | -77.7 | -176.7 | 50.3 | 0 | 0 | 112.7 | I1417 L1429 K1453 D1454 M1455 R1461 | I1417-M1457 HydrophobicContact CG2-CB 4.5Å; I1417-M1457 HydrophobicContact CG2-CE 4.26Å; L1429-M1457 HydrophobicContact CD1-CE 3.94Å; K1453-M1457 WeakPolarHBondContact O-CG 3.45Å; K1453-M1457 PolarHBondContact O-N 2.92Å; D1454-M1457 PolarHBondContact O-N 2.94Å; M1455-M1457 VanDerWaalsContact C-N 3.3Å; M1455-M1457 PolarHBondContact O-N 2.99Å; M1457-R1461 VanDerWaalsContact O-CB 3.31Å; M1457-R1461 WeakPolarHBondContact O-CB 3.28Å; M1457-R1461 PolarHBondContact O-N 3Å |
| 1458 | L | 93.3 | Very high | 79.9 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.3 | -49 | 175.9 | 176.9 | 60.9 | 0 | 0 | 0 | 111.4 | I1417 L1429 L1432 L1443 V1447 L1450 D1454 M1455 E1460 R1461 I1462 | I1417-L1458 HydrophobicContact CD1-CB 4.36Å; L1429-L1458 HydrophobicContact CD2-CB 4.17Å; L1429-L1458 HydrophobicContact CD2-CD1 4.21Å; L1432-L1458 HydrophobicContact CB-CD1 3.73Å; L1432-L1458 HydrophobicContact CD1-CD1 4.02Å; L1432-L1458 HydrophobicContact CD1-CD2 4.35Å; L1443-L1458 HydrophobicContact CD2-CD2 4.41Å; V1447-L1458 HydrophobicContact CG2-CD2 4.19Å; L1450-L1458 HydrophobicContact CD1-CD2 4.46Å; D1454-L1458 PolarHBondContact O-N 3.43Å; M1455-L1458 WeakPolarHBondContact O-CB 3.43Å; M1455-L1458 PolarHBondContact O-N 3.42Å; M1455-L1458 VanDerWaalsContact O-N 3.08Å; M1455-L1458 HydrophobicContact SD-CD2 4.42Å; L1458-E1460 PolarHBondContact O-N 2.93Å; L1458-R1461 PolarHBondContact O-N 3.3Å; L1458-R1461 VanDerWaalsContact O-N 3.15Å; L1458-I1462 HydrophobicContact CD1-CD1 3.86Å; L1458-I1462 HydrophobicContact CD1-CG1 4.17Å; L1458-I1462 HydrophobicContact CG-CD1 3.84Å; L1458-I1462 WeakPolarHBondContact O-CG1 3.4Å; L1458-I1462 PolarHBondContact O-N 3.08Å |
| 1459 | E | 90.9 | Very high | 78.2 | Confident | 94 Ų | 94 | 83.4 Ų | 83.4 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 177.9 | -73.1 | 170.5 | 178.6 | 0 | 0 | 111.5 | Y1444 M1455 R1461 I1462 R1463 | Y1444-E1459 HydrophobicContact CE1-CG 3.86Å; M1455-E1459 HydrophobicContact CG-CG 4.46Å; M1455-E1459 WeakPolarHBondContact O-CG 3.49Å; M1455-E1459 PolarHBondContact O-N 3.43Å; E1459-R1461 VanDerWaalsContact C-N 3.29Å; E1459-R1461 PolarHBondContact O-N 3.45Å; E1459-I1462 PolarHBondContact O-N 2.87Å; E1459-R1463 VanDerWaalsContact O-CB 3.31Å; E1459-R1463 WeakPolarHBondContact O-CB 3.45Å; E1459-R1463 PolarHBondContact O-N 3.19Å |
| 1460 | E | 87.5 | Confident | 76.4 | Confident | 61 Ų | 61 | 83 Ų | 83 | 29% | 0.285 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 176.9 | -178.6 | 61.6 | -169 | 0 | 0 | 111.4 | S1456 L1458 R1464 | S1456-E1460 WeakPolarHBondContact O-CB 3.31Å; S1456-E1460 PolarHBondContact O-N 3.24Å; L1458-E1460 PolarHBondContact O-N 2.93Å; E1460-R1464 WeakPolarHBondContact O-CB 3.48Å; E1460-R1464 VanDerWaalsContact O-CG 3.28Å; E1460-R1464 WeakPolarHBondContact O-CG 3.34Å; E1460-R1464 PolarHBondContact O-N 3.18Å; E1460-R1464 VanDerWaalsContact O-N 3.07Å; E1460-R1464 IonicContact OE1-CZ 3.53Å; E1460-R1464 IonicContact OE1-NE 3.61Å; E1460-R1464 PolarHBondContact OE1-NE 3.24Å; E1460-R1464 IonicContact OE1-NH2 2.79Å; E1460-R1464 PolarHBondContact OE1-NH2 3.3Å |
| 1461 | R | 91.4 | Very high | 74.2 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 176.3 | -167 | 66.3 | 125.9 | 141.8 | -8 | 112.1 | N1426 L1429 V1433 M1457 L1458 E1459 R1464 S1465 | N1426-R1461 PolarHBondContact OD1-NH2 2.84Å; L1429-R1461 HydrophobicContact CB-CG 4.18Å; L1429-R1461 HydrophobicContact CD2-CB 4.43Å; V1433-R1461 HydrophobicContact CG2-CB 4.42Å; V1433-R1461 HydrophobicContact CG2-CG 3.88Å; M1457-R1461 VanDerWaalsContact O-CB 3.31Å; M1457-R1461 WeakPolarHBondContact O-CB 3.28Å; M1457-R1461 PolarHBondContact O-N 3Å; L1458-R1461 PolarHBondContact O-N 3.3Å; L1458-R1461 VanDerWaalsContact O-N 3.15Å; E1459-R1461 VanDerWaalsContact C-N 3.29Å; E1459-R1461 PolarHBondContact O-N 3.45Å; R1461-R1464 PolarHBondContact O-N 3.49Å; R1461-S1465 WeakPolarHBondContact O-CB 3.36Å; R1461-S1465 PolarHBondContact O-N 2.69Å |
| 1462 | I | 89.6 | Confident | 72.1 | Confident | 18 Ų | 18 | 88.1 Ų | 88.1 | 9% | 0.092 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 174.9 | -72.6 | 168.3 | 0 | 0 | 0 | 109.8 | V1433 H1436 L1443 Y1444 L1458 E1459 R1464 S1465 | V1433-I1462 HydrophobicContact CG2-CG1 4.01Å; H1436-I1462 HydrophobicContact CB-CD1 4.06Å; H1436-I1462 HydrophobicContact CB-CG1 4.29Å; H1436-I1462 WeakPolarHBondContact CD2-CG2 3.36Å; H1436-I1462 WeakPolarHBondContact NE2-CG2 3.39Å; L1443-I1462 HydrophobicContact CD2-CD1 4.14Å; Y1444-I1462 HydrophobicContact CE1-CD1 4.2Å; L1458-I1462 HydrophobicContact CD1-CD1 3.86Å; L1458-I1462 HydrophobicContact CD1-CG1 4.17Å; L1458-I1462 HydrophobicContact CG-CD1 3.84Å; L1458-I1462 WeakPolarHBondContact O-CG1 3.4Å; L1458-I1462 PolarHBondContact O-N 3.08Å; E1459-I1462 PolarHBondContact O-N 2.87Å; I1462-R1464 VanDerWaalsContact C-N 3.27Å; I1462-R1464 PolarHBondContact O-N 3.44Å; I1462-S1465 WeakPolarHBondContact O-CB 3.45Å; I1462-S1465 PolarHBondContact O-N 2.83Å; I1462-S1465 PolarHBondContact O-OG 3.46Å |
| 1463 | R | 85.1 | Confident | 70.3 | Confident | 200 Ų | 200 | 86.2 Ų | 86.2 | 76% | 0.755 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -56.9 | -39.1 | 177.9 | -178.6 | -177 | 152.2 | 124.7 | 0.4 | 112.4 | E1459 S1465 | E1459-R1463 VanDerWaalsContact O-CB 3.31Å; E1459-R1463 WeakPolarHBondContact O-CB 3.45Å; E1459-R1463 PolarHBondContact O-N 3.19Å; R1463-S1465 VanDerWaalsContact C-N 3.28Å; R1463-S1465 PolarHBondContact O-N 2.87Å |
| 1464 | R | 81.1 | Confident | 68 | Low | 151 Ų | 151 | 85.4 Ų | 85.4 | 57% | 0.57 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -12.8 | 176.7 | -71.8 | 179.1 | -170.4 | 178.3 | 9 | 114.4 | M1 E1460 R1461 I1462 | M1-R1464 VanDerWaalsContact CE-NH2 3.35Å; E1460-R1464 WeakPolarHBondContact O-CB 3.48Å; E1460-R1464 VanDerWaalsContact O-CG 3.28Å; E1460-R1464 WeakPolarHBondContact O-CG 3.34Å; E1460-R1464 PolarHBondContact O-N 3.18Å; E1460-R1464 VanDerWaalsContact O-N 3.07Å; E1460-R1464 IonicContact OE1-CZ 3.53Å; E1460-R1464 IonicContact OE1-NE 3.61Å; E1460-R1464 PolarHBondContact OE1-NE 3.24Å; E1460-R1464 IonicContact OE1-NH2 2.79Å; E1460-R1464 PolarHBondContact OE1-NH2 3.3Å; R1461-R1464 PolarHBondContact O-N 3.49Å; I1462-R1464 VanDerWaalsContact C-N 3.27Å; I1462-R1464 PolarHBondContact O-N 3.44Å |
| 1465 | S | 76.4 | Confident | 65.5 | Low | 35 Ų | 35 | 89.1 Ų | 89.1 | 25% | 0.245 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -16.1 | -166.7 | 68.6 | 0 | 0 | 0 | 0 | 115.1 | R1461 I1462 R1463 K1467 | R1461-S1465 WeakPolarHBondContact O-CB 3.36Å; R1461-S1465 PolarHBondContact O-N 2.69Å; I1462-S1465 WeakPolarHBondContact O-CB 3.45Å; I1462-S1465 PolarHBondContact O-N 2.83Å; I1462-S1465 PolarHBondContact O-OG 3.46Å; R1463-S1465 VanDerWaalsContact C-N 3.28Å; R1463-S1465 PolarHBondContact O-N 2.87Å; S1465-K1467 WeakPolarHBondContact O-CB 3.39Å; S1465-K1467 PolarHBondContact O-N 3.01Å |
| 1466 | N | 52.8 | Low | 62.7 | Low | 155 Ų | 155 | 91.9 Ų | 91.9 | 83% | 0.829 | 49% | 0.487 | S | S | * | . | trans | 36.5 | 18.7 | 170.8 | -89.6 | 4.5 | 0 | 0 | 0 | 118.6 | ||||
| 1467 | K | 46.1 | Very low | 60 | Low | 136 Ų | 136 | 92.7 Ų | 92.7 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | trans | -103.6 | 109.5 | -176.7 | -88.1 | 179.9 | 172.7 | -168.5 | 0 | 108.4 | E1396 M1437 S1465 | E1396-K1467 IonicContact OE1-NZ 3.66Å; M1437-K1467 HydrophobicContact CE-CB 3.33Å; M1437-K1467 HydrophobicContact CE-CD 3.98Å; M1437-K1467 HydrophobicContact CE-CG 4.32Å; M1437-K1467 HydrophobicContact SD-CB 4.34Å; S1465-K1467 WeakPolarHBondContact O-CB 3.39Å; S1465-K1467 PolarHBondContact O-N 3.01Å | ||
| 1468 | V | 47.5 | Very low | 57.3 | Low | 143 Ų | 143 | 96 Ų | 96 | 87% | 0.867 | 52% | 0.516 | S | S | * | . | trans | -82 | 134.1 | 167.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | G1470 | V1468-G1470 PolarHBondContact O-N 3.23Š| ||
| 1469 | L | 37.4 | Very low | 54.3 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 41% | 0.408 | 54% | 0.539 | S | S | . | . | trans | -61.3 | 114.5 | 178.4 | -103.8 | 152.6 | 0 | 0 | 0 | 110.9 | M1437 | M1437-L1469 HydrophobicContact CB-CD1 3.63Å; M1437-L1469 HydrophobicContact CB-CG 3.97Å; M1437-L1469 WeakPolarHBondContact O-CD1 3.5Å | ||
| 1470 | G | 39.2 | Very low | 51.2 | Low | 49 Ų | 49 | 102.6 Ų | 102.6 | 51% | 0.505 | 56% | 0.557 | S | S | . | * | trans | -127.7 | 24.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1468 | V1468-G1470 PolarHBondContact O-N 3.23Š| ||
| 1471 | T | 35.2 | Very low | 48.3 | Very low | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -128.6 | 118 | 177.4 | 42.6 | 0 | 0 | 0 | 0 | 110.2 | V1473 | T1471-V1473 PolarHBondContact O-N 3.46Š|
| 1472 | P | 38.6 | Very low | 45.1 | Very low | 124 Ų | 124 | 105.7 Ų | 105.7 | 81% | 0.805 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 135.7 | 176.1 | 23.2 | -30.2 | 0 | 0 | 0 | 110.4 | K1474 | P1472-K1474 PolarHBondContact O-N 2.96Š|
| 1473 | V | 41.9 | Very low | 42.1 | Very low | 71 Ų | 71 | 110.6 Ų | 110.6 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 120.5 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | Y1398 T1471 P1475 | Y1398-V1473 WeakPolarHBondContact O-CG1 3.38Å; T1471-V1473 PolarHBondContact O-N 3.46Å; V1473-P1475 WeakPolarHBondContact O-CD 3.31Å |
| 1474 | K | 36.8 | Very low | 39.2 | Very low | 133 Ų | 133 | 108.8 Ų | 108.8 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.3 | 176.7 | -159.4 | 175.4 | -174.6 | -178.4 | 0 | 108 | P1472 | P1472-K1474 PolarHBondContact O-N 2.96Š|
| 1475 | P | 38.4 | Very low | 36.6 | Very low | 105 Ų | 105 | 112.5 Ų | 112.5 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.8 | -179.1 | 22.8 | -30.8 | 0 | 0 | 0 | 109.6 | V1473 | V1473-P1475 WeakPolarHBondContact O-CD 3.31Š|
| 1476 | P | 32.7 | Very low | 34 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 60% | 0.597 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 139.2 | 178.1 | 24.2 | -31.4 | 0 | 0 | 0 | 110 | ||
| 1477 | P | 30.6 | Very low | 32.9 | Very low | 85 Ų | 85 | 117.8 Ų | 117.8 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141.1 | -178.8 | 23 | -31.2 | 0 | 0 | 0 | 110.9 | V1479 | P1477-V1479 PolarHBondContact O-N 3.34Å; P1477-V1479 VanDerWaalsContact O-N 3.16Å |
| 1478 | P | 30.2 | Very low | 31.8 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 81% | 0.805 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -65 | 116.2 | -174.4 | 24.1 | -31.8 | 0 | 0 | 0 | 111.1 | N1480 | P1478-N1480 PolarHBondContact O-N 3.47Š|
| 1479 | V | 31.1 | Very low | 31.3 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 49% | 0.485 | 68% | 0.684 | S | S | . | * | trans | -80.4 | 103.5 | 176.7 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | P1477 S1481 | P1477-V1479 PolarHBondContact O-N 3.34Å; P1477-V1479 VanDerWaalsContact O-N 3.16Å; V1479-S1481 VanDerWaalsContact C-N 3.3Å; V1479-S1481 PolarHBondContact O-N 2.92Å | ||
| 1480 | N | 25.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | -60 | 89.7 | 170.4 | -86.7 | -19.6 | 0 | 0 | 0 | 110.4 | P1478 S1482 | P1478-N1480 PolarHBondContact O-N 3.47Å; N1480-S1482 PolarHBondContact O-N 3.4Å | ||
| 1481 | S | 26.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | trans | -89.8 | 78.9 | 172.1 | -62.8 | 0 | 0 | 0 | 0 | 108.9 | V1479 T1483 | V1479-S1481 VanDerWaalsContact C-N 3.3Å; V1479-S1481 PolarHBondContact O-N 2.92Å; S1481-T1483 VanDerWaalsContact C-N 3.33Å; S1481-T1483 PolarHBondContact O-N 3.43Å | ||
| 1482 | S | 23.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -69.7 | 85.6 | 173.6 | -48.9 | 0 | 0 | 0 | 0 | 110.2 | N1480 | N1480-S1482 PolarHBondContact O-N 3.4Š| ||
| 1483 | T | 28.6 | Very low | 28.9 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | trans | -108.3 | 101.1 | 162.2 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | S1481 R1485 | S1481-T1483 VanDerWaalsContact C-N 3.33Å; S1481-T1483 PolarHBondContact O-N 3.43Å; T1483-R1485 PolarHBondContact O-N 3.46Å | ||
| 1484 | I | 23.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -55.3 | 115.2 | 173.6 | -64.1 | 164.9 | 0 | 0 | 0 | 109.3 | ||||
| 1485 | R | 25.2 | Very low | 28.4 | Very low | 228 Ų | 228 | 131.1 Ų | 131.1 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -131.6 | 106.6 | 159.2 | -88.8 | -171 | 177.3 | 178.7 | 0 | 109.7 | T1483 | T1483-R1485 PolarHBondContact O-N 3.46Š| ||
| 1486 | L | 23.7 | Very low | 28 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 114.3 | 170.2 | -172.2 | 78.1 | 0 | 0 | 0 | 109.3 | ||||
| 1487 | V | 28.4 | Very low | 27.7 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -134.4 | 126.5 | 163.7 | -179 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1488 | K | 23.8 | Very low | 27.6 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -66.6 | 156.1 | -175.2 | -87.2 | 175.1 | 172.7 | 175.4 | 0 | 113.3 | ||||
| 1489 | P | 35.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -86.5 | 144.2 | -170.2 | 35.3 | -32.8 | 0 | 0 | 0 | 112.4 | ||||
| 1490 | V | 27.5 | Very low | 27.1 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | trans | -120.9 | 127.1 | 163.2 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1491 | A | 25.7 | Very low | 27.2 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -62.7 | 129.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1492 | S | 22.7 | Very low | 27.3 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -85.5 | 127.4 | 158.7 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1493 | N | 25.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -121.9 | 124.7 | 161.9 | -126.6 | 13.8 | 0 | 0 | 0 | 108.4 | ||||
| 1494 | P | 41.9 | Very low | 27.3 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -89.6 | 151.6 | 179.7 | 36.7 | -31.4 | 0 | 0 | 0 | 110.3 | ||||
| 1495 | N | 25.3 | Very low | 27.2 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -178.3 | 109.5 | 155.3 | -92.3 | -14.9 | 0 | 0 | 0 | 108.2 | ||||
| 1496 | H | 30.2 | Very low | 27.2 | Very low | 180 Ų | 180 | 137 Ų | 137 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | -173.3 | 111.3 | 116.5 | -122.8 | -76.5 | 0 | 0 | 0 | 110.6 | |||||
| 1497 | D | 25.8 | Very low | 27.2 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -62.2 | 151.6 | 154.3 | -67.8 | -56.8 | 0 | 0 | 0 | 110.6 | ||||
| 1498 | D | 28.7 | Very low | 27.2 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | 170.6 | 103.1 | 114.1 | -87.9 | -33.5 | 0 | 0 | 0 | 112.4 | |||||
| 1499 | A | 25.4 | Very low | 27.5 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | 43.9 | 134.8 | 113.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1500 | N | 24.8 | Very low | 27.2 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 89.7 | 126.9 | 135.1 | -67.1 | -18.8 | 0 | 0 | 0 | 121.1 | ||||
| 1501 | G | 28.4 | Very low | 27.2 | Very low | 83 Ų | 83 | 136.7 Ų | 136.7 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 171.1 | 52.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1502 | V | 28.3 | Very low | 27.9 | Very low | 140 Ų | 140 | 137 Ų | 137 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 129.4 | 166.7 | 169.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1503 | V | 27.8 | Very low | 28 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -166.7 | 142.5 | 156.2 | 176.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1504 | S | 24.8 | Very low | 28.2 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | 178.6 | 144.3 | -19.9 | -81.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1505 | R | 22.5 | Very low | 27.4 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | trans | 75.7 | 124 | 136.7 | -85.8 | -175.2 | 138.9 | 162.4 | -15.1 | 124.5 | ||||
| 1506 | E | 23.8 | Very low | 27.6 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | 67.4 | 135 | 125 | -70.1 | 169.9 | -179.6 | 0 | 0 | 117.8 | |||||
| 1507 | T | 24.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | cis | -178.5 | 155.5 | 45.7 | -17.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1508 | I | 27.4 | Very low | 27.8 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | trans | 89.9 | 116.8 | 147.8 | -60.1 | 153.7 | 0 | 0 | 0 | 120.7 | ||||
| 1509 | E | 31.1 | Very low | 27.6 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -59.6 | 153.1 | 168.9 | -60.3 | 172.8 | 135.2 | 0 | 0 | 115.6 | ||||
| 1510 | P | 29.3 | Very low | 27.9 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -122.4 | 136.1 | 137.8 | 33.3 | -21.1 | 0 | 0 | 0 | 112.5 | ||||
| 1511 | M | 26.2 | Very low | 28.4 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -61.2 | 164.2 | -177 | -97.1 | -111.9 | -68.6 | 0 | 0 | 116 | ||||
| 1512 | P | 40.4 | Very low | 28.8 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -100 | 149.2 | -145 | 37.7 | -34.1 | 0 | 0 | 0 | 114.3 | ||||
| 1513 | T | 26.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -117.6 | 144.8 | 156.3 | 31 | 0 | 0 | 0 | 0 | 110.1 | K1515 | T1513-K1515 PolarHBondContact O-N 3.11Š| ||
| 1514 | P | 29.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -83.1 | 122.8 | -146.4 | 28.7 | -27.9 | 0 | 0 | 0 | 113.2 | K1516 | P1514-K1516 PolarHBondContact O-N 2.77Š| ||
| 1515 | K | 25.4 | Very low | 30.4 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | trans | -60.3 | 122 | 175.2 | -63 | -174.1 | 177.9 | -163.3 | 0 | 111.7 | T1513 E1519 | T1513-K1515 PolarHBondContact O-N 3.11Å; K1515-E1519 WeakPolarHBondContact CE-OE2 3.19Å; K1515-E1519 IonicContact NZ-OE2 2.66Å; K1515-E1519 PolarHBondContact NZ-OE2 3.02Å | ||
| 1516 | K | 28.5 | Very low | 30.8 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -127.9 | 72.7 | 158.1 | -86.4 | -169.7 | 178.3 | 179.7 | 0 | 109.6 | P1514 | P1514-K1516 PolarHBondContact O-N 2.77Š| ||
| 1517 | R | 30 | Very low | 31.3 | Very low | 229 Ų | 229 | 139.8 Ų | 139.8 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -172.4 | 116.7 | 147.9 | -116.6 | 172.3 | 176.2 | 167.8 | -2.2 | 107.4 | E1519 | R1517-E1519 PolarHBondContact O-N 3.48Š|
| 1518 | F | 30.1 | Very low | 32 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.873 | 69% | 0.691 | S | S | * | * | trans | -9.6 | 92.8 | 156.6 | -135.1 | -98.8 | 0 | 0 | 0 | 112.7 | ||||
| 1519 | E | 25.3 | Very low | 32.7 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | trans | -97.4 | 126.2 | 169.2 | -105.9 | 178.8 | 161.6 | 0 | 0 | 106.1 | K1515 R1517 D1521 | K1515-E1519 WeakPolarHBondContact CE-OE2 3.19Å; K1515-E1519 IonicContact NZ-OE2 2.66Å; K1515-E1519 PolarHBondContact NZ-OE2 3.02Å; R1517-E1519 PolarHBondContact O-N 3.48Å; E1519-D1521 PolarHBondContact O-N 3.26Å | ||
| 1520 | W | 31.1 | Very low | 33.2 | Very low | 176 Ų | 176 | 138 Ų | 138 | 67% | 0.667 | 68% | 0.681 | S | S | * | * | trans | -63.7 | 129 | -179.6 | -67.5 | 66.5 | 0 | 0 | 0 | 108.8 | K1522 L1525 | W1520-K1522 VanDerWaalsContact C-N 3.34Å; W1520-K1522 PolarHBondContact O-N 3.32Å; W1520-L1525 HydrophobicContact CB-CD1 3.69Å; W1520-L1525 HydrophobicContact CD2-CD1 4.24Å; W1520-L1525 HydrophobicContact CE3-CD1 3.52Å; W1520-L1525 HydrophobicContact CE3-CD2 4.19Å; W1520-L1525 HydrophobicContact CE3-CG 4.5Å; W1520-L1525 HydrophobicContact CG-CD1 4.37Å; W1520-L1525 HydrophobicContact CZ3-CD1 4.48Å; W1520-L1525 HydrophobicContact CZ3-CD2 4.41Å | ||
| 1521 | D | 35.2 | Very low | 33.2 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 50% | 0.503 | 67% | 0.672 | S | S | . | * | trans | -69.8 | 95.2 | 172.9 | -164 | -29.5 | 0 | 0 | 0 | 108.4 | E1519 E1523 E1524 L1525 | E1519-D1521 PolarHBondContact O-N 3.26Å; D1521-E1523 PolarHBondContact O-N 3.2Å; D1521-E1523 PolarHBondContact OD1-N 2.89Å; D1521-E1524 HydrophobicContact CB-CB 4Å; D1521-E1524 PolarHBondContact O-N 3.39Å; D1521-E1524 PolarHBondContact OD1-N 3.19Å; D1521-L1525 VanDerWaalsContact O-CD1 3.29Å; D1521-L1525 WeakPolarHBondContact O-CD1 3.36Å; D1521-L1525 WeakPolarHBondContact O-CG 3.34Å; D1521-L1525 PolarHBondContact O-N 3.48Å; D1521-L1525 VanDerWaalsContact O-N 3.08Å | ||
| 1522 | K | 37.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 56% | 0.557 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -26.5 | -172.9 | -71.1 | -178.3 | -176.9 | 178.8 | 0 | 112 | W1520 G1526 F1527 | W1520-K1522 VanDerWaalsContact C-N 3.34Å; W1520-K1522 PolarHBondContact O-N 3.32Å; K1522-G1526 PolarHBondContact O-N 3.15Å; K1522-F1527 HydrophobicContact CB-CB 4.15Å; K1522-F1527 HydrophobicContact CB-CD2 4.21Å; K1522-F1527 HydrophobicContact CG-CD2 4.3Å; K1522-F1527 WeakPolarHBondContact O-CB 3.47Å; K1522-F1527 PolarHBondContact O-N 3.22Å |
| 1523 | E | 35.5 | Very low | 33.3 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -38.4 | 175.6 | -72.2 | -175.3 | 160 | 0 | 0 | 110.8 | D1521 L1525 G1526 | D1521-E1523 PolarHBondContact O-N 3.2Å; D1521-E1523 PolarHBondContact OD1-N 2.89Å; E1523-L1525 VanDerWaalsContact C-N 3.28Å; E1523-L1525 PolarHBondContact O-N 3Å; E1523-G1526 PolarHBondContact O-N 3.32Å; E1523-G1526 VanDerWaalsContact O-N 3.16Å |
| 1524 | E | 42.9 | Very low | 33.4 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -29.1 | 175.3 | -148 | 168.9 | -153.1 | 0 | 0 | 112.1 | D1521 G1526 | D1521-E1524 HydrophobicContact CB-CB 4Å; D1521-E1524 PolarHBondContact O-N 3.39Å; D1521-E1524 PolarHBondContact OD1-N 3.19Å; E1524-G1526 VanDerWaalsContact C-N 3.29Å; E1524-G1526 PolarHBondContact O-N 3.14Å |
| 1525 | L | 36.1 | Very low | 33.6 | Very low | 46 Ų | 46 | 136 Ų | 136 | 24% | 0.241 | 65% | 0.653 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | 3.6 | 174.5 | -65.8 | 153.3 | 0 | 0 | 0 | 114 | W1520 D1521 E1523 F1527 | W1520-L1525 HydrophobicContact CB-CD1 3.69Å; W1520-L1525 HydrophobicContact CD2-CD1 4.24Å; W1520-L1525 HydrophobicContact CE3-CD1 3.52Å; W1520-L1525 HydrophobicContact CE3-CD2 4.19Å; W1520-L1525 HydrophobicContact CE3-CG 4.5Å; W1520-L1525 HydrophobicContact CG-CD1 4.37Å; W1520-L1525 HydrophobicContact CZ3-CD1 4.48Å; W1520-L1525 HydrophobicContact CZ3-CD2 4.41Å; D1521-L1525 VanDerWaalsContact O-CD1 3.29Å; D1521-L1525 WeakPolarHBondContact O-CD1 3.36Å; D1521-L1525 WeakPolarHBondContact O-CG 3.34Å; D1521-L1525 PolarHBondContact O-N 3.48Å; D1521-L1525 VanDerWaalsContact O-N 3.08Å; E1523-L1525 VanDerWaalsContact C-N 3.28Å; E1523-L1525 PolarHBondContact O-N 3Å; L1525-F1527 VanDerWaalsContact C-N 3.31Å; L1525-F1527 HydrophobicContact CB-CD2 3.57Å; L1525-F1527 HydrophobicContact CB-CE2 3.53Å; L1525-F1527 HydrophobicContact CD1-CD2 4.46Å; L1525-F1527 HydrophobicContact CD1-CE2 4.09Å; L1525-F1527 HydrophobicContact CG-CE2 4.38Å; L1525-F1527 PolarHBondContact O-N 3.28Å |
| 1526 | G | 30.8 | Very low | 33.9 | Very low | 53 Ų | 53 | 133.6 Ų | 133.6 | 55% | 0.546 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.7 | 26.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K1522 E1523 E1524 | K1522-G1526 PolarHBondContact O-N 3.15Å; E1523-G1526 PolarHBondContact O-N 3.32Å; E1523-G1526 VanDerWaalsContact O-N 3.16Å; E1524-G1526 VanDerWaalsContact C-N 3.29Å; E1524-G1526 PolarHBondContact O-N 3.14Å |
| 1527 | F | 33.1 | Very low | 33.8 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 34% | 0.338 | 65% | 0.654 | S | S | . | * | trans | -78 | 129.4 | 170.4 | -67.6 | -74.5 | 0 | 0 | 0 | 109.9 | K1522 L1525 P1529 | K1522-F1527 HydrophobicContact CB-CB 4.15Å; K1522-F1527 HydrophobicContact CB-CD2 4.21Å; K1522-F1527 HydrophobicContact CG-CD2 4.3Å; K1522-F1527 WeakPolarHBondContact O-CB 3.47Å; K1522-F1527 PolarHBondContact O-N 3.22Å; L1525-F1527 VanDerWaalsContact C-N 3.31Å; L1525-F1527 HydrophobicContact CB-CD2 3.57Å; L1525-F1527 HydrophobicContact CB-CE2 3.53Å; L1525-F1527 HydrophobicContact CD1-CD2 4.46Å; L1525-F1527 HydrophobicContact CD1-CE2 4.09Å; L1525-F1527 HydrophobicContact CG-CE2 4.38Å; L1525-F1527 PolarHBondContact O-N 3.28Å; F1527-P1529 WeakPolarHBondContact O-CD 3.43Å | ||
| 1528 | D | 39.5 | Very low | 33.6 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | trans | -63.2 | 118.4 | 178.3 | -169.7 | -18.9 | 0 | 0 | 0 | 110 | Y1530 E1531 | D1528-Y1530 PolarHBondContact O-N 3.24Å; D1528-Y1530 WeakPolarHBondContact OD1-CD2 3.41Å; D1528-Y1530 PolarHBondContact OD1-N 2.79Å; D1528-E1531 PolarHBondContact O-N 3.25Å | ||
| 1529 | P | 42 | Very low | 33.4 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 59% | 0.591 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -4.7 | -174.4 | 24.1 | -31.9 | 0 | 0 | 0 | 114.3 | F1527 | F1527-P1529 WeakPolarHBondContact O-CD 3.43Š|
| 1530 | Y | 41.3 | Very low | 33.6 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 82% | 0.82 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 0.9 | -178.4 | -62.1 | -74.7 | 0 | 0 | 0 | 115.4 | D1528 | D1528-Y1530 PolarHBondContact O-N 3.24Å; D1528-Y1530 WeakPolarHBondContact OD1-CD2 3.41Å; D1528-Y1530 PolarHBondContact OD1-N 2.79Å |
| 1531 | E | 29.8 | Very low | 33.5 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | trans | -95.6 | 103.6 | 170.1 | -83.7 | -168.8 | 158.8 | 0 | 0 | 111.8 | D1528 L1533 | D1528-E1531 PolarHBondContact O-N 3.25Å; E1531-L1533 PolarHBondContact O-N 2.66Å | ||
| 1532 | D | 33.9 | Very low | 33.4 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | -67.2 | 91.7 | 173.2 | -168.7 | -7.9 | 0 | 0 | 0 | 110.7 | T1534 | D1532-T1534 PolarHBondContact O-N 3.39Å; D1532-T1534 VanDerWaalsContact O-N 3.12Å; D1532-T1534 WeakPolarHBondContact OD1-CG2 3.01Å; D1532-T1534 PolarHBondContact OD1-OG1 3.07Å | ||
| 1533 | L | 34.5 | Very low | 33.3 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | trans | -82.7 | 43.6 | 179.5 | -76.8 | 165.2 | 0 | 0 | 0 | 113 | E1531 V1535 | E1531-L1533 PolarHBondContact O-N 2.66Å; L1533-V1535 PolarHBondContact O-N 2.9Å; L1533-V1535 VanDerWaalsContact O-N 3.12Å | ||
| 1534 | T | 30.5 | Very low | 33.1 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | trans | -80.1 | 86.3 | 171 | 39.2 | 0 | 0 | 0 | 0 | 110.6 | D1532 | D1532-T1534 PolarHBondContact O-N 3.39Å; D1532-T1534 VanDerWaalsContact O-N 3.12Å; D1532-T1534 WeakPolarHBondContact OD1-CG2 3.01Å; D1532-T1534 PolarHBondContact OD1-OG1 3.07Å | ||
| 1535 | V | 31.6 | Very low | 32.6 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | trans | -122.4 | 129.2 | 164.4 | -174 | 0 | 0 | 0 | 0 | 108.5 | L1533 | L1533-V1535 PolarHBondContact O-N 2.9Å; L1533-V1535 VanDerWaalsContact O-N 3.12Å | ||
| 1536 | P | 31.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 145.1 | -156.9 | 31.4 | -36 | 0 | 0 | 0 | 113.5 | ||
| 1537 | F | 27.1 | Very low | 33 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 126 | 176.5 | -116.5 | -99.1 | 0 | 0 | 0 | 111.3 | ||
| 1538 | P | 26.7 | Very low | 33.1 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134.4 | 178.1 | -8.8 | 24.2 | 0 | 0 | 0 | 110.9 | ||
| 1539 | E | 26.3 | Very low | 32.9 | Very low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 143.1 | 176.8 | -78 | 178.2 | 138.3 | 0 | 0 | 112.8 | I1541 | E1539-I1541 PolarHBondContact O-N 3.3Å; E1539-I1541 VanDerWaalsContact O-N 3.1Å |
| 1540 | L | 27.7 | Very low | 32.8 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -64.9 | 102.1 | 174.5 | -80.8 | 129.3 | 0 | 0 | 0 | 110.2 | ||||
| 1541 | I | 30.1 | Very low | 32.5 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | trans | -90.3 | 124.9 | 172.1 | -60.1 | 175.6 | 0 | 0 | 0 | 108.5 | E1539 H1543 | E1539-I1541 PolarHBondContact O-N 3.3Å; E1539-I1541 VanDerWaalsContact O-N 3.1Å; I1541-H1543 PolarHBondContact O-CD2 3.1Å; I1541-H1543 VanDerWaalsContact O-CD2 3.28Å; I1541-H1543 PolarHBondContact O-CE1 3.32Å; I1541-H1543 PolarHBondContact O-N 2.8Å; I1541-H1543 PolarHBondContact O-ND1 2.98Å; I1541-H1543 PolarHBondContact O-NE2 3.02Å | ||
| 1542 | D | 32.4 | Very low | 32.5 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | trans | -66.8 | 117.7 | -176.6 | -158.8 | -0.4 | 0 | 0 | 0 | 111 | ||||
| 1543 | H | 34.9 | Very low | 32.3 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | -97.7 | 104.5 | -163.4 | -68.5 | -55.9 | 0 | 0 | 0 | 112.5 | I1541 | I1541-H1543 PolarHBondContact O-CD2 3.1Å; I1541-H1543 VanDerWaalsContact O-CD2 3.28Å; I1541-H1543 PolarHBondContact O-CE1 3.32Å; I1541-H1543 PolarHBondContact O-N 2.8Å; I1541-H1543 PolarHBondContact O-ND1 2.98Å; I1541-H1543 PolarHBondContact O-NE2 3.02Å | ||
| 1544 | S | 32.6 | Very low | 31.9 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -123.3 | 62.7 | 159.1 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1545 | D | 32.4 | Very low | 31.8 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -175.8 | 106.7 | 150.7 | -100.5 | -27.6 | 0 | 0 | 0 | 109.5 | D1547 | D1545-D1547 VanDerWaalsContact C-N 3.25Å; D1545-D1547 PolarHBondContact O-N 3.07Å | ||
| 1546 | T | 37.2 | Very low | 31.5 | Very low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 0.3 | -171.9 | 26.4 | 0 | 0 | 0 | 0 | 115 | E1548 | T1546-E1548 PolarHBondContact O-N 3.34Š|
| 1547 | D | 38.1 | Very low | 31.3 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -14.5 | -174.1 | -92.4 | -12.4 | 0 | 0 | 0 | 114.5 | D1545 | D1545-D1547 VanDerWaalsContact C-N 3.25Å; D1545-D1547 PolarHBondContact O-N 3.07Å |
| 1548 | E | 35.8 | Very low | 31.3 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -86.3 | -22.9 | 179.4 | -71.4 | -148.5 | 145.2 | 0 | 0 | 114.8 | T1546 V1550 K1551 | T1546-E1548 PolarHBondContact O-N 3.34Å; E1548-V1550 PolarHBondContact O-N 3.09Å; E1548-K1551 PolarHBondContact O-N 3.24Å; E1548-K1551 VanDerWaalsContact O-N 3.15Å |
| 1549 | I | 34.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -27.1 | -179.8 | -65.8 | 174.1 | 0 | 0 | 0 | 111.7 | K1551 | I1549-K1551 VanDerWaalsContact C-N 3.28Å; I1549-K1551 PolarHBondContact O-N 3.22Å |
| 1550 | V | 40.3 | Very low | 31.7 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -18.1 | -180 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | E1548 | E1548-V1550 PolarHBondContact O-N 3.09Š|
| 1551 | K | 35 | Very low | 31.9 | Very low | 172 Ų | 172 | 144 Ų | 144 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -92.7 | -15.9 | -167 | -80 | -178.2 | -179.1 | 166.8 | 0 | 116.4 | E1548 I1549 | E1548-K1551 PolarHBondContact O-N 3.24Å; E1548-K1551 VanDerWaalsContact O-N 3.15Å; I1549-K1551 VanDerWaalsContact C-N 3.28Å; I1549-K1551 PolarHBondContact O-N 3.22Å |
| 1552 | R | 28.1 | Very low | 31.9 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -149 | 87.8 | 177 | -69 | -171.1 | -179.5 | 175.2 | 1 | 112 | F1554 | R1552-F1554 PolarHBondContact O-N 3.09Š| ||
| 1553 | P | 29.9 | Very low | 31.8 | Very low | 105 Ų | 105 | 143 Ų | 143 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 126.4 | 167.2 | 24.7 | -25.6 | 0 | 0 | 0 | 108.5 | V1555 | P1553-V1555 PolarHBondContact O-N 3.07Š|
| 1554 | F | 27.5 | Very low | 31.9 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120.1 | 178.1 | 177 | -103.4 | 0 | 0 | 0 | 109.7 | R1552 Y1556 | R1552-F1554 PolarHBondContact O-N 3.09Å; F1554-Y1556 AromaticContact CE1-CD2 3.86Å; F1554-Y1556 HydrophobicContact CE1-CD2 3.86Å; F1554-Y1556 HydrophobicContact CZ-CD2 4.19Å |
| 1555 | V | 28 | Very low | 31.9 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 60% | 0.6 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 118 | -176.5 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | P1553 | P1553-V1555 PolarHBondContact O-N 3.07Š|
| 1556 | Y | 25.2 | Very low | 32 | Very low | 163 Ų | 163 | 147 Ų | 147 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | trans | -85.5 | 112.1 | 169.8 | -143.7 | -93.6 | 0 | 0 | 0 | 109.3 | F1554 F1558 | F1554-Y1556 AromaticContact CE1-CD2 3.86Å; F1554-Y1556 HydrophobicContact CE1-CD2 3.86Å; F1554-Y1556 HydrophobicContact CZ-CD2 4.19Å; Y1556-F1558 PolarHBondContact O-N 2.96Å | ||
| 1557 | E | 26.3 | Very low | 31.6 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | trans | -85.5 | 88.9 | -169.8 | -151.6 | 176.2 | -145.5 | 0 | 0 | 110.6 | R1559 | E1557-R1559 PolarHBondContact O-N 3.38Å; E1557-R1559 VanDerWaalsContact O-N 3.12Å | ||
| 1558 | F | 28.3 | Very low | 31.4 | Very low | 159 Ų | 159 | 155.2 Ų | 155.2 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | trans | -68.7 | 107 | 177.6 | -134.3 | -93.6 | 0 | 0 | 0 | 109.8 | Y1556 S1560 | Y1556-F1558 PolarHBondContact O-N 2.96Å; F1558-S1560 PolarHBondContact O-N 3.2Å | ||
| 1559 | R | 28.4 | Very low | 31 | Very low | 172 Ų | 172 | 155.1 Ų | 155.1 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | trans | -74.7 | 118.8 | -169.3 | -67.2 | -173.9 | 174.6 | 172.1 | 1.6 | 112.3 | E1557 H1561 | E1557-R1559 PolarHBondContact O-N 3.38Å; E1557-R1559 VanDerWaalsContact O-N 3.12Å; R1559-H1561 WeakPolarHBondContact CB-CE1 3.35Å; R1559-H1561 WeakPolarHBondContact CB-ND1 3.45Å; R1559-H1561 PolarHBondContact O-N 3.46Å | ||
| 1560 | S | 33.6 | Very low | 31 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 10.6 | -170.7 | 79.8 | 0 | 0 | 0 | 0 | 117.5 | F1558 | F1558-S1560 PolarHBondContact O-N 3.2Š|
| 1561 | H | 31.8 | Very low | 30.9 | Very low | 125 Ų | 125 | 157.5 Ų | 157.5 | 58% | 0.579 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -21 | -169.7 | 47 | -86.8 | 0 | 0 | 0 | 114.3 | R1559 Y1563 | R1559-H1561 WeakPolarHBondContact CB-CE1 3.35Å; R1559-H1561 WeakPolarHBondContact CB-ND1 3.45Å; R1559-H1561 PolarHBondContact O-N 3.46Å; H1561-Y1563 VanDerWaalsContact C-N 3.34Å; H1561-Y1563 PolarHBondContact O-N 3.22Å |
| 1562 | L | 29.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 67% | 0.665 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -69.9 | -28.7 | 176.5 | -75 | 165 | 0 | 0 | 0 | 113.1 | K1564 | L1562-K1564 VanDerWaalsContact C-N 3.33Å; L1562-K1564 PolarHBondContact O-N 3.35Å |
| 1563 | Y | 30.4 | Very low | 31.3 | Very low | 141 Ų | 141 | 153 Ų | 153 | 55% | 0.553 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -76.3 | -15.3 | -176.2 | -121.8 | -92.4 | 0 | 0 | 0 | 114.8 | H1561 Q1565 | H1561-Y1563 VanDerWaalsContact C-N 3.34Å; H1561-Y1563 PolarHBondContact O-N 3.22Å; Y1563-Q1565 VanDerWaalsContact C-N 3.34Å |
| 1564 | K | 35.5 | Very low | 32 | Very low | 180 Ų | 180 | 156.9 Ų | 156.9 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -76.9 | -17.5 | 179.2 | -84.9 | -174.5 | 178.4 | 177 | 0 | 113.7 | L1562 | L1562-K1564 VanDerWaalsContact C-N 3.33Å; L1562-K1564 PolarHBondContact O-N 3.35Å |
| 1565 | Q | 32.8 | Very low | 32.7 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -20.4 | 179.1 | -85.2 | -173.3 | -9.9 | 0 | 0 | 114.4 | Y1563 | Y1563-Q1565 VanDerWaalsContact C-N 3.34Š|
| 1566 | Q | 34 | Very low | 33.7 | Very low | 138 Ų | 138 | 149 Ų | 149 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | trans | -91.8 | 1.5 | -177.6 | -79.1 | 179.1 | -25.3 | 0 | 0 | 115.4 | R1568 | Q1566-R1568 PolarHBondContact O-N 2.68Š| ||
| 1567 | Q | 30.6 | Very low | 35.2 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 24.7 | 175.4 | -76.8 | -156.3 | -16 | 0 | 0 | 115.5 | ||
| 1568 | R | 32.4 | Very low | 37.2 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 2.2 | 169.8 | -81.1 | -167.1 | -176.9 | -175.8 | 3.5 | 115.5 | Q1566 | Q1566-R1568 PolarHBondContact O-N 2.68Š|
| 1569 | H | 28.3 | Very low | 39.4 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 78% | 0.778 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -132.1 | 122.3 | 167.3 | -93.9 | -89.1 | 0 | 0 | 0 | 111.6 | E1571 | H1569-E1571 PolarHBondContact O-N 2.91Š|
| 1570 | P | 35.4 | Very low | 41.5 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | trans | -92 | 64.7 | -174.8 | 37.5 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 1571 | E | 36.7 | Very low | 43.5 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -138.3 | 113.1 | 160 | -69.6 | -173.5 | 167.8 | 0 | 0 | 105.9 | H1569 E1573 | H1569-E1571 PolarHBondContact O-N 2.91Å; E1571-E1573 PolarHBondContact O-N 3.19Å | ||
| 1572 | V | 40.3 | Very low | 45.9 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 86% | 0.861 | 63% | 0.634 | S | S | * | * | trans | -70.2 | 98.6 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1573 | E | 32.5 | Very low | 48.5 | Very low | 165 Ų | 165 | 118.6 Ų | 118.6 | 77% | 0.771 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138.5 | 174.5 | -71.6 | -178.3 | 160.4 | 0 | 0 | 110.1 | E1571 | E1571-E1573 PolarHBondContact O-N 3.19Š|
| 1574 | E | 44.6 | Very low | 51 | Low | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 138.9 | 179.5 | -78.4 | -178.6 | 146.5 | 0 | 0 | 111 | S1576 | E1574-S1576 PolarHBondContact O-N 3.47Š|
| 1575 | P | 42.7 | Very low | 53.3 | Low | 55 Ų | 55 | 108.2 Ų | 108.2 | 36% | 0.357 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 136.1 | -176.9 | 20.2 | -30.5 | 0 | 0 | 0 | 111.1 | G1577 F1617 | P1575-G1577 PolarHBondContact O-N 2.76Å; P1575-F1617 HydrophobicContact CB-CD1 3.66Å; P1575-F1617 HydrophobicContact CB-CE1 3.76Å; P1575-F1617 HydrophobicContact CG-CD1 3.98Å; P1575-F1617 HydrophobicContact CG-CE1 4.41Å |
| 1576 | S | 48.5 | Very low | 56 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 141.7 | 174.4 | 62 | 0 | 0 | 0 | 0 | 110.5 | E1574 D1578 I1579 S1580 | E1574-S1576 PolarHBondContact O-N 3.47Å; S1576-D1578 PolarHBondContact O-N 3.14Å; S1576-I1579 PolarHBondContact O-N 2.83Å; S1576-S1580 PolarHBondContact O-N 3.14Å |
| 1577 | G | 55.2 | Low | 58.6 | Low | 54 Ų | 54 | 94.9 Ų | 94.9 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -50.4 | -28 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1575 S1581 | P1575-G1577 PolarHBondContact O-N 2.76Å; G1577-S1581 WeakPolarHBondContact O-CB 3.4Å; G1577-S1581 PolarHBondContact O-N 3.37Å; G1577-S1581 PolarHBondContact O-OG 3.36Å |
| 1578 | D | 69.2 | Low | 61.4 | Low | 71 Ų | 71 | 89.9 Ų | 89.9 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.3 | -42.5 | 179 | -61.2 | -29.8 | 0 | 0 | 0 | 114 | S1576 S1580 S1581 A1582 | S1576-D1578 PolarHBondContact O-N 3.14Å; D1578-S1580 VanDerWaalsContact C-N 3.34Å; D1578-S1581 PolarHBondContact O-N 3.49Å; D1578-A1582 WeakPolarHBondContact O-CB 3.41Å; D1578-A1582 PolarHBondContact O-N 3.24Å |
| 1579 | I | 74.3 | Confident | 64 | Low | 69 Ų | 69 | 82.7 Ų | 82.7 | 35% | 0.354 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 179.4 | -64.1 | 172.2 | 0 | 0 | 0 | 109.5 | S1576 A1582 L1583 F1617 | S1576-I1579 PolarHBondContact O-N 2.83Å; I1579-A1582 PolarHBondContact O-N 3.49Å; I1579-L1583 HydrophobicContact CG2-CD1 3.81Å; I1579-L1583 WeakPolarHBondContact O-CD1 3.18Å; I1579-L1583 PolarHBondContact O-N 3.05Å; I1579-F1617 HydrophobicContact CG2-CG 4.41Å |
| 1580 | S | 73.6 | Confident | 67 | Low | 39 Ų | 39 | 74.7 Ų | 74.7 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 176.7 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | S1576 D1578 A1582 L1583 D1584 K1621 | S1576-S1580 PolarHBondContact O-N 3.14Å; D1578-S1580 VanDerWaalsContact C-N 3.34Å; S1580-A1582 PolarHBondContact O-N 3.02Å; S1580-L1583 PolarHBondContact O-N 3.15Å; S1580-D1584 PolarHBondContact O-N 2.91Å; S1580-K1621 PolarHBondContact O-NZ 3.49Å; S1580-K1621 WeakPolarHBondContact OG-CE 3.29Å; S1580-K1621 PolarHBondContact OG-NZ 2.81Å |
| 1581 | S | 75.5 | Confident | 69.3 | Low | 73 Ų | 73 | 70.8 Ų | 70.8 | 51% | 0.51 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -39 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | G1577 D1578 D1584 A1585 | G1577-S1581 WeakPolarHBondContact O-CB 3.4Å; G1577-S1581 PolarHBondContact O-N 3.37Å; G1577-S1581 PolarHBondContact O-OG 3.36Å; D1578-S1581 PolarHBondContact O-N 3.49Å; S1581-D1584 PolarHBondContact O-N 3.46Å; S1581-A1585 PolarHBondContact O-N 3.23Å |
| 1582 | A | 80.8 | Confident | 71.6 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 37% | 0.372 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1578 I1579 S1580 D1584 A1585 V1586 | D1578-A1582 WeakPolarHBondContact O-CB 3.41Å; D1578-A1582 PolarHBondContact O-N 3.24Å; I1579-A1582 PolarHBondContact O-N 3.49Å; S1580-A1582 PolarHBondContact O-N 3.02Å; A1582-D1584 VanDerWaalsContact C-N 3.31Å; A1582-D1584 PolarHBondContact O-N 3.31Å; A1582-A1585 WeakPolarHBondContact O-CB 3.23Å; A1582-A1585 PolarHBondContact O-N 3.46Å; A1582-V1586 WeakPolarHBondContact O-CG2 3.33Å; A1582-V1586 PolarHBondContact O-N 3.18Å |
| 1583 | L | 84.2 | Confident | 73.6 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 174.2 | -99.6 | 126.8 | 0 | 0 | 0 | 112 | I1579 S1580 A1585 V1586 I1587 L1605 V1608 F1617 L1618 K1621 | I1579-L1583 HydrophobicContact CG2-CD1 3.81Å; I1579-L1583 WeakPolarHBondContact O-CD1 3.18Å; I1579-L1583 PolarHBondContact O-N 3.05Å; S1580-L1583 PolarHBondContact O-N 3.15Å; L1583-A1585 VanDerWaalsContact C-N 3.34Å; L1583-A1585 PolarHBondContact O-N 3.18Å; L1583-V1586 PolarHBondContact O-N 3.28Å; L1583-I1587 WeakPolarHBondContact O-CB 3.35Å; L1583-I1587 VanDerWaalsContact O-CG1 3.26Å; L1583-I1587 WeakPolarHBondContact O-CG1 3.45Å; L1583-I1587 PolarHBondContact O-N 2.96Å; L1583-L1605 HydrophobicContact CD2-CD2 4.33Å; L1583-V1608 HydrophobicContact CD2-CG1 4.35Å; L1583-F1617 HydrophobicContact CD1-CB 3.81Å; L1583-L1618 HydrophobicContact CD2-CD2 3.27Å; L1583-L1618 HydrophobicContact CD2-CG 3.78Å; L1583-K1621 HydrophobicContact CB-CD 4.47Å |
| 1584 | D | 84.1 | Confident | 76.1 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 24% | 0.235 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 176 | -71.9 | -34.7 | 0 | 0 | 0 | 112 | S1580 S1581 A1582 I1587 N1588 K1621 | S1580-D1584 PolarHBondContact O-N 2.91Å; S1581-D1584 PolarHBondContact O-N 3.46Å; A1582-D1584 VanDerWaalsContact C-N 3.31Å; A1582-D1584 PolarHBondContact O-N 3.31Å; D1584-I1587 PolarHBondContact O-N 2.05Å; D1584-N1588 WeakPolarHBondContact O-CB 3.21Å; D1584-N1588 PolarHBondContact O-N 2.83Å; D1584-N1588 PolarHBondContact O-ND2 3.48Å; D1584-K1621 WeakPolarHBondContact OD1-CD 3.48Å; D1584-K1621 IonicContact OD1-NZ 3.73Å; D1584-K1621 PolarHBondContact OD1-NZ 3.29Å; D1584-K1621 IonicContact OD2-NZ 3.59Å; D1584-K1621 PolarHBondContact OD2-NZ 2.95Å |
| 1585 | A | 83.3 | Confident | 78 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 49% | 0.488 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1581 A1582 L1583 N1588 Q1589 | S1581-A1585 PolarHBondContact O-N 3.23Å; A1582-A1585 WeakPolarHBondContact O-CB 3.23Å; A1582-A1585 PolarHBondContact O-N 3.46Å; L1583-A1585 VanDerWaalsContact C-N 3.34Å; L1583-A1585 PolarHBondContact O-N 3.18Å; A1585-N1588 PolarHBondContact O-N 3.08Å; A1585-Q1589 WeakPolarHBondContact O-CB 3.35Å; A1585-Q1589 PolarHBondContact O-N 2.85Å |
| 1586 | V | 89 | Confident | 80.1 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | A1582 L1583 N1588 Q1589 V1590 A1601 Q1604 L1605 | A1582-V1586 WeakPolarHBondContact O-CG2 3.33Å; A1582-V1586 PolarHBondContact O-N 3.18Å; L1583-V1586 PolarHBondContact O-N 3.28Å; V1586-N1588 VanDerWaalsContact C-N 3.31Å; V1586-N1588 PolarHBondContact O-N 3.25Å; V1586-Q1589 WeakPolarHBondContact O-CB 3.42Å; V1586-Q1589 PolarHBondContact O-N 3.06Å; V1586-Q1589 VanDerWaalsContact O-N 3.12Å; V1586-V1590 PolarHBondContact O-N 3.18Å; V1586-A1601 HydrophobicContact CG1-CB 4.15Å; V1586-Q1604 HydrophobicContact CG1-CB 4.3Å; V1586-L1605 HydrophobicContact CB-CD2 4.36Å; V1586-L1605 HydrophobicContact CG1-CD1 4.12Å; V1586-L1605 HydrophobicContact CG1-CD2 3.99Å; V1586-L1605 HydrophobicContact CG1-CG 3.71Å |
| 1587 | I | 89.6 | Confident | 82 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 174.5 | -69.4 | 168.4 | 0 | 0 | 0 | 110.5 | L1583 D1584 Q1589 V1590 L1605 L1618 K1621 R1624 V1628 | L1583-I1587 WeakPolarHBondContact O-CB 3.35Å; L1583-I1587 VanDerWaalsContact O-CG1 3.26Å; L1583-I1587 WeakPolarHBondContact O-CG1 3.45Å; L1583-I1587 PolarHBondContact O-N 2.96Å; D1584-I1587 PolarHBondContact O-N 2.05Å; I1587-Q1589 VanDerWaalsContact C-N 3.3Å; I1587-Q1589 PolarHBondContact O-N 3.29Å; I1587-V1590 WeakPolarHBondContact O-CB 3.33Å; I1587-V1590 PolarHBondContact O-N 2.8Å; I1587-L1605 HydrophobicContact CG1-CD1 3.99Å; I1587-L1605 HydrophobicContact CG1-CD2 3.93Å; I1587-L1618 HydrophobicContact CD1-CD2 4.1Å; I1587-K1621 HydrophobicContact CD1-CB 3.83Å; I1587-K1621 HydrophobicContact CD1-CD 4.05Å; I1587-R1624 HydrophobicContact CG2-CG 4.03Å; I1587-V1628 HydrophobicContact CG2-CG2 4.27Å; I1587-V1628 WeakPolarHBondContact O-CG1 3.47Å |
| 1588 | N | 88.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67 | -32.2 | 176.6 | -66.5 | -35.4 | 0 | 0 | 0 | 112.2 | D1584 A1585 V1586 V1590 A1591 R1624 | D1584-N1588 WeakPolarHBondContact O-CB 3.21Å; D1584-N1588 PolarHBondContact O-N 2.83Å; D1584-N1588 PolarHBondContact O-ND2 3.48Å; A1585-N1588 PolarHBondContact O-N 3.08Å; V1586-N1588 VanDerWaalsContact C-N 3.31Å; V1586-N1588 PolarHBondContact O-N 3.25Å; N1588-V1590 PolarHBondContact O-N 3.03Å; N1588-A1591 PolarHBondContact O-N 2.97Å; N1588-A1591 VanDerWaalsContact O-N 3.14Å; N1588-R1624 PolarHBondContact ND2-NH2 3.25Å; N1588-R1624 PolarHBondContact OD1-NE 3.02Å; N1588-R1624 PolarHBondContact OD1-NH2 3.26Å |
| 1589 | Q | 89 | Confident | 84.5 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.7 | -24.6 | 177.5 | -169.7 | 176.1 | 7.9 | 0 | 0 | 112.9 | A1585 V1586 I1587 A1591 S1592 S1597 A1601 | A1585-Q1589 WeakPolarHBondContact O-CB 3.35Å; A1585-Q1589 PolarHBondContact O-N 2.85Å; V1586-Q1589 WeakPolarHBondContact O-CB 3.42Å; V1586-Q1589 PolarHBondContact O-N 3.06Å; V1586-Q1589 VanDerWaalsContact O-N 3.12Å; I1587-Q1589 VanDerWaalsContact C-N 3.3Å; I1587-Q1589 PolarHBondContact O-N 3.29Å; Q1589-A1591 PolarHBondContact O-N 3.5Å; Q1589-S1592 WeakPolarHBondContact O-CB 3.37Å; Q1589-S1592 PolarHBondContact O-N 3.3Å; Q1589-S1597 WeakPolarHBondContact CG-OG 3.41Å; Q1589-S1597 PolarHBondContact NE2-OG 2.99Å; Q1589-A1601 HydrophobicContact CB-CB 3.96Å; Q1589-A1601 HydrophobicContact CG-CB 3.97Å |
| 1590 | V | 90.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.6 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | V1586 I1587 N1588 S1592 S1598 A1601 V1602 L1605 V1628 I1629 Q1632 | V1586-V1590 PolarHBondContact O-N 3.18Å; I1587-V1590 WeakPolarHBondContact O-CB 3.33Å; I1587-V1590 PolarHBondContact O-N 2.8Å; N1588-V1590 PolarHBondContact O-N 3.03Å; V1590-S1592 PolarHBondContact O-N 3.41Å; V1590-S1598 VanDerWaalsContact O-CB 3.28Å; V1590-S1598 WeakPolarHBondContact O-CB 3.42Å; V1590-S1598 PolarHBondContact O-OG 2.71Å; V1590-A1601 HydrophobicContact CG2-CB 3.79Å; V1590-V1602 HydrophobicContact CB-CG2 4.41Å; V1590-V1602 HydrophobicContact CG1-CG2 3.65Å; V1590-V1602 HydrophobicContact CG2-CG2 3.93Å; V1590-L1605 HydrophobicContact CG2-CD1 3.65Å; V1590-V1628 HydrophobicContact CB-CG1 3.59Å; V1590-V1628 HydrophobicContact CG1-CG1 3.78Å; V1590-I1629 HydrophobicContact CG1-CG1 4.31Å; V1590-Q1632 HydrophobicContact CG1-CB 4.38Å; V1590-Q1632 WeakPolarHBondContact O-CG 3.19Å; V1590-Q1632 PolarHBondContact O-OE1 3.4Å; V1590-Q1632 VanDerWaalsContact O-OE1 3.12Å |
| 1591 | A | 84.1 | Confident | 86 | Confident | 46 Ų | 46 | 48.1 Ų | 48.1 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 12.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1588 Q1589 V1628 | N1588-A1591 PolarHBondContact O-N 2.97Å; N1588-A1591 VanDerWaalsContact O-N 3.14Å; Q1589-A1591 PolarHBondContact O-N 3.5Å; A1591-V1628 HydrophobicContact CB-CG1 3.47Å; A1591-V1628 VanDerWaalsContact CB-CG1 3.47Å; A1591-V1628 VanDerWaalsContact N-CG1 3.3Å |
| 1592 | S | 84.9 | Confident | 86.8 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | trans | -60.2 | 142.9 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | Q1589 V1590 D1594 S1598 Q1632 | Q1589-S1592 WeakPolarHBondContact O-CB 3.37Å; Q1589-S1592 PolarHBondContact O-N 3.3Å; V1590-S1592 PolarHBondContact O-N 3.41Å; S1592-D1594 PolarHBondContact O-N 3.14Å; S1592-D1594 PolarHBondContact OG-N 3.47Å; S1592-D1594 VanDerWaalsContact OG-N 3.14Å; S1592-S1598 PolarHBondContact N-OG 3.13Å; S1592-S1598 PolarHBondContact O-OG 3.24Å; S1592-Q1632 PolarHBondContact O-NE2 3.07Å; S1592-Q1632 PolarHBondContact O-OE1 3.36Å | ||
| 1593 | R | 82.2 | Confident | 87.2 | Confident | 226 Ų | 226 | 45 Ų | 45 | 85% | 0.853 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -68.5 | -22.8 | 170 | -69.1 | -173.3 | 178.8 | -177.1 | -0.2 | 112.5 | L1595 | R1593-L1595 PolarHBondContact O-N 3.48Š|
| 1594 | D | 84.8 | Confident | 87.3 | Confident | 84 Ų | 84 | 48.3 Ų | 48.3 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -82.1 | 107.2 | 168.8 | 171.8 | 24.7 | 0 | 0 | 0 | 109.6 | S1592 S1596 S1597 S1598 | S1592-D1594 PolarHBondContact O-N 3.14Å; S1592-D1594 PolarHBondContact OG-N 3.47Å; S1592-D1594 VanDerWaalsContact OG-N 3.14Å; D1594-S1596 PolarHBondContact O-N 3.11Å; D1594-S1596 WeakPolarHBondContact OD1-CB 3.15Å; D1594-S1596 PolarHBondContact OD1-N 3.11Å; D1594-S1597 PolarHBondContact O-N 3.49Å; D1594-S1597 VanDerWaalsContact OD2-CB 3.26Å; D1594-S1597 WeakPolarHBondContact OD2-CB 3.25Å; D1594-S1597 PolarHBondContact OD2-N 3.37Å; D1594-S1598 PolarHBondContact O-N 3.12Å; D1594-S1598 VanDerWaalsContact O-N 3.11Å; D1594-S1598 PolarHBondContact O-OG 3.36Å |
| 1595 | L | 85.3 | Confident | 87.7 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -31.3 | -178.1 | -58.9 | -178.8 | 0 | 0 | 0 | 112.2 | R1593 S1598 V1599 A1636 T1650 I1651 L1654 | R1593-L1595 PolarHBondContact O-N 3.48Å; L1595-S1598 WeakPolarHBondContact O-CB 3.33Å; L1595-S1598 PolarHBondContact O-N 2.99Å; L1595-V1599 VanDerWaalsContact O-CG2 3.3Å; L1595-V1599 WeakPolarHBondContact O-CG2 3.5Å; L1595-V1599 PolarHBondContact O-N 3Å; L1595-A1636 HydrophobicContact CD2-CB 4.37Å; L1595-T1650 HydrophobicContact CB-CG2 3.64Å; L1595-I1651 HydrophobicContact CD1-CD1 4.48Å; L1595-I1651 HydrophobicContact CD1-CG1 3.65Å; L1595-L1654 HydrophobicContact CD2-CD2 3.91Å |
| 1596 | S | 86.2 | Confident | 87.9 | Confident | 56 Ų | 56 | 45.5 Ų | 45.5 | 39% | 0.392 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.4 | -47.4 | 179.4 | -54.9 | 0 | 0 | 0 | 0 | 110.8 | D1594 S1598 V1599 V1600 | D1594-S1596 PolarHBondContact O-N 3.11Å; D1594-S1596 WeakPolarHBondContact OD1-CB 3.15Å; D1594-S1596 PolarHBondContact OD1-N 3.11Å; S1596-S1598 VanDerWaalsContact C-N 3.25Å; S1596-S1598 PolarHBondContact O-N 3.43Å; S1596-V1599 WeakPolarHBondContact O-CB 3.34Å; S1596-V1599 PolarHBondContact O-N 3.16Å; S1596-V1600 PolarHBondContact O-N 3.37Å; S1596-V1600 VanDerWaalsContact O-N 3.14Å |
| 1597 | S | 87.7 | Confident | 87.7 | Confident | 22 Ų | 22 | 50.2 Ų | 50.2 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.1 | -39.1 | 171.6 | 175.9 | 0 | 0 | 0 | 0 | 112 | Q1589 D1594 V1600 A1601 | Q1589-S1597 WeakPolarHBondContact CG-OG 3.41Å; Q1589-S1597 PolarHBondContact NE2-OG 2.99Å; D1594-S1597 PolarHBondContact O-N 3.49Å; D1594-S1597 VanDerWaalsContact OD2-CB 3.26Å; D1594-S1597 WeakPolarHBondContact OD2-CB 3.25Å; D1594-S1597 PolarHBondContact OD2-N 3.37Å; S1597-V1600 PolarHBondContact O-N 2.88Å; S1597-A1601 WeakPolarHBondContact O-CB 3.17Å; S1597-A1601 PolarHBondContact O-N 3.35Å |
| 1598 | S | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 177.2 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | V1590 S1592 D1594 L1595 S1596 V1600 A1601 V1602 Q1632 | V1590-S1598 VanDerWaalsContact O-CB 3.28Å; V1590-S1598 WeakPolarHBondContact O-CB 3.42Å; V1590-S1598 PolarHBondContact O-OG 2.71Å; S1592-S1598 PolarHBondContact N-OG 3.13Å; S1592-S1598 PolarHBondContact O-OG 3.24Å; D1594-S1598 PolarHBondContact O-N 3.12Å; D1594-S1598 VanDerWaalsContact O-N 3.11Å; D1594-S1598 PolarHBondContact O-OG 3.36Å; L1595-S1598 WeakPolarHBondContact O-CB 3.33Å; L1595-S1598 PolarHBondContact O-N 2.99Å; S1596-S1598 VanDerWaalsContact C-N 3.25Å; S1596-S1598 PolarHBondContact O-N 3.43Å; S1598-V1600 VanDerWaalsContact C-N 3.33Å; S1598-V1600 PolarHBondContact O-N 3.39Å; S1598-A1601 PolarHBondContact O-N 2.73Å; S1598-V1602 VanDerWaalsContact O-CG2 3.27Å; S1598-V1602 WeakPolarHBondContact O-CG2 3.44Å; S1598-V1602 PolarHBondContact O-N 2.85Å; S1598-Q1632 PolarHBondContact OG-NE2 2.86Å |
| 1599 | V | 89.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.2 | -47.7 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | L1595 S1596 V1602 C1603 A1653 L1654 A1657 | L1595-V1599 VanDerWaalsContact O-CG2 3.3Å; L1595-V1599 WeakPolarHBondContact O-CG2 3.5Å; L1595-V1599 PolarHBondContact O-N 3Å; S1596-V1599 WeakPolarHBondContact O-CB 3.34Å; S1596-V1599 PolarHBondContact O-N 3.16Å; V1599-V1602 PolarHBondContact O-N 3.29Å; V1599-C1603 PolarHBondContact O-N 3.42Å; V1599-C1603 PolarHBondContact O-SG 3.25Å; V1599-C1603 VanDerWaalsContact O-SG 3.41Å; V1599-A1653 HydrophobicContact CG2-CB 4.32Å; V1599-L1654 HydrophobicContact CG2-CB 3.72Å; V1599-L1654 HydrophobicContact CG2-CD1 4.1Å; V1599-A1657 HydrophobicContact CG1-CB 4.4Å |
| 1600 | V | 89.1 | Confident | 87.2 | Confident | 75 Ų | 75 | 48.6 Ų | 48.6 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 111 | S1596 S1597 S1598 V1602 C1603 Q1604 | S1596-V1600 PolarHBondContact O-N 3.37Å; S1596-V1600 VanDerWaalsContact O-N 3.14Å; S1597-V1600 PolarHBondContact O-N 2.88Å; S1598-V1600 VanDerWaalsContact C-N 3.33Å; S1598-V1600 PolarHBondContact O-N 3.39Å; V1600-V1602 VanDerWaalsContact C-N 3.32Å; V1600-V1602 PolarHBondContact O-N 2.84Å; V1600-C1603 PolarHBondContact O-N 3.21Å; V1600-Q1604 WeakPolarHBondContact O-CG 3.16Å; V1600-Q1604 PolarHBondContact O-N 3.44Å |
| 1601 | A | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1586 Q1589 V1590 S1597 S1598 Q1604 L1605 | V1586-A1601 HydrophobicContact CG1-CB 4.15Å; Q1589-A1601 HydrophobicContact CB-CB 3.96Å; Q1589-A1601 HydrophobicContact CG-CB 3.97Å; V1590-A1601 HydrophobicContact CG2-CB 3.79Å; S1597-A1601 WeakPolarHBondContact O-CB 3.17Å; S1597-A1601 PolarHBondContact O-N 3.35Å; S1598-A1601 PolarHBondContact O-N 2.73Å; A1601-Q1604 PolarHBondContact O-N 3.29Å; A1601-L1605 WeakPolarHBondContact O-CG 3.48Å; A1601-L1605 PolarHBondContact O-N 3.03Å |
| 1602 | V | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | V1590 S1598 V1599 V1600 L1605 Q1606 A1657 V1658 I1661 | V1590-V1602 HydrophobicContact CB-CG2 4.41Å; V1590-V1602 HydrophobicContact CG1-CG2 3.65Å; V1590-V1602 HydrophobicContact CG2-CG2 3.93Å; S1598-V1602 VanDerWaalsContact O-CG2 3.27Å; S1598-V1602 WeakPolarHBondContact O-CG2 3.44Å; S1598-V1602 PolarHBondContact O-N 2.85Å; V1599-V1602 PolarHBondContact O-N 3.29Å; V1600-V1602 VanDerWaalsContact C-N 3.32Å; V1600-V1602 PolarHBondContact O-N 2.84Å; V1602-L1605 PolarHBondContact O-N 2.98Å; V1602-Q1606 WeakPolarHBondContact O-CB 3.11Å; V1602-Q1606 PolarHBondContact O-N 3.04Å; V1602-A1657 HydrophobicContact CB-CB 4.28Å; V1602-A1657 HydrophobicContact CG1-CB 3.78Å; V1602-A1657 WeakPolarHBondContact CG1-O 3.43Å; V1602-V1658 HydrophobicContact CG2-CG2 4.44Å; V1602-I1661 HydrophobicContact CG1-CB 3.92Å; V1602-I1661 HydrophobicContact CG1-CD1 4.29Å; V1602-I1661 HydrophobicContact CG1-CG2 3.63Å |
| 1603 | C | 89.5 | Confident | 86.2 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.5 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | V1599 V1600 Q1606 E1607 | V1599-C1603 PolarHBondContact O-N 3.42Å; V1599-C1603 PolarHBondContact O-SG 3.25Å; V1599-C1603 VanDerWaalsContact O-SG 3.41Å; V1600-C1603 PolarHBondContact O-N 3.21Å; C1603-Q1606 WeakPolarHBondContact O-CB 3.33Å; C1603-Q1606 PolarHBondContact O-N 3.5Å; C1603-E1607 PolarHBondContact O-N 3.35Å; C1603-E1607 VanDerWaalsContact O-N 3.1Å |
| 1604 | Q | 87.7 | Confident | 86.1 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.4 | -72.5 | 175.8 | -13.8 | 0 | 0 | 111.8 | V1586 V1600 A1601 Q1606 E1607 V1608 | V1586-Q1604 HydrophobicContact CG1-CB 4.3Å; V1600-Q1604 WeakPolarHBondContact O-CG 3.16Å; V1600-Q1604 PolarHBondContact O-N 3.44Å; A1601-Q1604 PolarHBondContact O-N 3.29Å; Q1604-Q1606 VanDerWaalsContact C-N 3.29Å; Q1604-Q1606 PolarHBondContact O-N 3.05Å; Q1604-E1607 PolarHBondContact O-N 3.29Å; Q1604-V1608 PolarHBondContact O-N 3.47Å |
| 1605 | L | 91 | Very high | 86 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -32.5 | 176.6 | -68.8 | 167.7 | 0 | 0 | 0 | 112.4 | L1583 V1586 I1587 V1590 A1601 V1602 E1607 V1608 I1609 L1618 L1625 I1661 | L1583-L1605 HydrophobicContact CD2-CD2 4.33Å; V1586-L1605 HydrophobicContact CB-CD2 4.36Å; V1586-L1605 HydrophobicContact CG1-CD1 4.12Å; V1586-L1605 HydrophobicContact CG1-CD2 3.99Å; V1586-L1605 HydrophobicContact CG1-CG 3.71Å; I1587-L1605 HydrophobicContact CG1-CD1 3.99Å; I1587-L1605 HydrophobicContact CG1-CD2 3.93Å; V1590-L1605 HydrophobicContact CG2-CD1 3.65Å; A1601-L1605 WeakPolarHBondContact O-CG 3.48Å; A1601-L1605 PolarHBondContact O-N 3.03Å; V1602-L1605 PolarHBondContact O-N 2.98Å; L1605-E1607 VanDerWaalsContact C-N 3.33Å; L1605-E1607 PolarHBondContact O-N 3.1Å; L1605-V1608 PolarHBondContact O-N 3.34Å; L1605-I1609 WeakPolarHBondContact O-CG1 3.47Å; L1605-I1609 PolarHBondContact O-N 2.95Å; L1605-L1618 HydrophobicContact CD2-CD2 4.32Å; L1605-L1625 HydrophobicContact CD1-CD1 3.73Å; L1605-I1661 HydrophobicContact CB-CD1 3.54Å |
| 1606 | Q | 88.3 | Confident | 85.7 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174.3 | -171.1 | -172.4 | -2 | 0 | 0 | 111.6 | V1602 C1603 Q1604 V1608 I1609 N1610 I1661 A1664 | V1602-Q1606 WeakPolarHBondContact O-CB 3.11Å; V1602-Q1606 PolarHBondContact O-N 3.04Å; C1603-Q1606 WeakPolarHBondContact O-CB 3.33Å; C1603-Q1606 PolarHBondContact O-N 3.5Å; Q1604-Q1606 VanDerWaalsContact C-N 3.29Å; Q1604-Q1606 PolarHBondContact O-N 3.05Å; Q1606-V1608 VanDerWaalsContact C-N 3.33Å; Q1606-I1609 PolarHBondContact O-N 3.09Å; Q1606-N1610 WeakPolarHBondContact O-CB 3.14Å; Q1606-N1610 VanDerWaalsContact O-CG 3.26Å; Q1606-N1610 PolarHBondContact O-N 3.28Å; Q1606-N1610 PolarHBondContact O-ND2 3.1Å; Q1606-I1661 HydrophobicContact CB-CB 4.18Å; Q1606-I1661 HydrophobicContact CB-CG1 4.1Å; Q1606-I1661 HydrophobicContact CG-CB 4.41Å; Q1606-A1664 HydrophobicContact CG-CB 4.49Å |
| 1607 | E | 84 | Confident | 85.5 | Confident | 132 Ų | 132 | 49.1 Ų | 49.1 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 174.3 | -70.7 | -175.9 | 176.6 | 0 | 0 | 111.7 | C1603 Q1604 L1605 I1609 N1610 D1611 | C1603-E1607 PolarHBondContact O-N 3.35Å; C1603-E1607 VanDerWaalsContact O-N 3.1Å; Q1604-E1607 PolarHBondContact O-N 3.29Å; L1605-E1607 VanDerWaalsContact C-N 3.33Å; L1605-E1607 PolarHBondContact O-N 3.1Å; E1607-I1609 PolarHBondContact O-N 3.47Å; E1607-N1610 PolarHBondContact O-N 3.1Å; E1607-D1611 PolarHBondContact O-N 3.39Å; E1607-D1611 VanDerWaalsContact O-N 3.14Å |
| 1608 | V | 86.9 | Confident | 85.3 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | L1583 Q1604 L1605 Q1606 D1611 K1614 C1615 L1618 | L1583-V1608 HydrophobicContact CD2-CG1 4.35Å; Q1604-V1608 PolarHBondContact O-N 3.47Å; L1605-V1608 PolarHBondContact O-N 3.34Å; Q1606-V1608 VanDerWaalsContact C-N 3.33Å; V1608-D1611 PolarHBondContact O-N 2.85Å; V1608-K1614 HydrophobicContact CG1-CB 4.02Å; V1608-K1614 CarbonylContact O-C 3.58Å; V1608-C1615 WeakPolarHBondContact O-CA 3.3Å; V1608-C1615 PolarHBondContact O-N 3.49Å; V1608-C1615 VanDerWaalsContact O-N 3.11Å; V1608-L1618 HydrophobicContact CB-CD1 4.48Å; V1608-L1618 HydrophobicContact CG1-CD1 3.91Å; V1608-L1618 HydrophobicContact CG1-CG 4.17Å |
| 1609 | I | 86.9 | Confident | 84.9 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 178.9 | -69.3 | 166.5 | 0 | 0 | 0 | 112 | L1605 Q1606 E1607 D1611 C1615 L1618 L1625 I1661 A1664 T1665 M1668 | L1605-I1609 WeakPolarHBondContact O-CG1 3.47Å; L1605-I1609 PolarHBondContact O-N 2.95Å; Q1606-I1609 PolarHBondContact O-N 3.09Å; E1607-I1609 PolarHBondContact O-N 3.47Å; I1609-D1611 VanDerWaalsContact C-N 3.31Å; I1609-C1615 WeakPolarHBondContact O-CB 3.37Å; I1609-L1618 HydrophobicContact CB-CD1 4.46Å; I1609-L1618 HydrophobicContact CD1-CD1 3.99Å; I1609-L1618 HydrophobicContact CG1-CD1 3.22Å; I1609-L1625 HydrophobicContact CD1-CD2 4.1Å; I1609-I1661 HydrophobicContact CD1-CD1 3.87Å; I1609-I1661 HydrophobicContact CD1-CG1 3.57Å; I1609-A1664 HydrophobicContact CG2-CB 3.77Å; I1609-T1665 WeakPolarHBondContact CD1-OG1 3.46Å; I1609-M1668 HydrophobicContact CG2-CG 4.41Å; I1609-M1668 WeakPolarHBondContact O-CE 3.42Å |
| 1610 | N | 83.9 | Confident | 84.6 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 43% | 0.433 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76.4 | -20.1 | -178.8 | -72.2 | -30.7 | 0 | 0 | 0 | 113 | Q1606 E1607 A1664 | Q1606-N1610 WeakPolarHBondContact O-CB 3.14Å; Q1606-N1610 VanDerWaalsContact O-CG 3.26Å; Q1606-N1610 PolarHBondContact O-N 3.28Å; Q1606-N1610 PolarHBondContact O-ND2 3.1Å; E1607-N1610 PolarHBondContact O-N 3.1Å; N1610-A1664 WeakPolarHBondContact OD1-CB 3.37Å |
| 1611 | D | 85.5 | Confident | 84.5 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 25% | 0.251 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -78.8 | 119.9 | 174.4 | -175.5 | -52.4 | 0 | 0 | 0 | 109.8 | E1607 V1608 I1609 V1613 K1614 C1615 | E1607-D1611 PolarHBondContact O-N 3.39Å; E1607-D1611 VanDerWaalsContact O-N 3.14Å; V1608-D1611 PolarHBondContact O-N 2.85Å; I1609-D1611 VanDerWaalsContact C-N 3.31Å; D1611-V1613 PolarHBondContact O-N 2.89Å; D1611-V1613 VanDerWaalsContact O-N 3.12Å; D1611-V1613 PolarHBondContact OD1-N 2.95Å; D1611-K1614 HydrophobicContact CB-CB 3.92Å; D1611-K1614 HydrophobicContact CB-CD 3.96Å; D1611-K1614 HydrophobicContact CB-CG 4.05Å; D1611-K1614 PolarHBondContact O-N 3.02Å; D1611-K1614 PolarHBondContact OD1-N 2.99Å; D1611-K1614 WeakPolarHBondContact OD2-CD 3.49Å; D1611-K1614 VanDerWaalsContact OD2-CE 3.26Å; D1611-K1614 WeakPolarHBondContact OD2-CE 3.48Å; D1611-K1614 IonicContact OD2-NZ 3.41Å; D1611-C1615 VanDerWaalsContact O-CB 3.3Å; D1611-C1615 WeakPolarHBondContact O-CB 3.23Å; D1611-C1615 PolarHBondContact O-N 2.99Å; D1611-C1615 PolarHBondContact O-SG 3.01Å |
| 1612 | P | 74.2 | Confident | 84.4 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.3 | -172.3 | 28.2 | -35.7 | 0 | 0 | 0 | 113.8 | F1616 | P1612-F1616 WeakPolarHBondContact O-CD2 3.39Å; P1612-F1616 WeakPolarHBondContact O-CE2 3.04Å |
| 1613 | V | 77.6 | Confident | 84.2 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -45.5 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | D1611 C1615 F1616 | D1611-V1613 PolarHBondContact O-N 2.89Å; D1611-V1613 VanDerWaalsContact O-N 3.12Å; D1611-V1613 PolarHBondContact OD1-N 2.95Å; V1613-C1615 VanDerWaalsContact C-N 3.3Å; V1613-C1615 PolarHBondContact O-N 3.43Å; V1613-F1616 WeakPolarHBondContact O-CD2 3.22Å; V1613-F1616 PolarHBondContact O-N 3.3Å |
| 1614 | K | 80.3 | Confident | 84.2 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -71.4 | -24.6 | -175.5 | -55.7 | 173.1 | -174.4 | 167.6 | 0 | 113.3 | V1608 D1611 F1616 F1617 | V1608-K1614 HydrophobicContact CG1-CB 4.02Å; V1608-K1614 CarbonylContact O-C 3.58Å; D1611-K1614 HydrophobicContact CB-CB 3.92Å; D1611-K1614 HydrophobicContact CB-CD 3.96Å; D1611-K1614 HydrophobicContact CB-CG 4.05Å; D1611-K1614 PolarHBondContact O-N 3.02Å; D1611-K1614 PolarHBondContact OD1-N 2.99Å; D1611-K1614 WeakPolarHBondContact OD2-CD 3.49Å; D1611-K1614 VanDerWaalsContact OD2-CE 3.26Å; D1611-K1614 WeakPolarHBondContact OD2-CE 3.48Å; D1611-K1614 IonicContact OD2-NZ 3.41Å; K1614-F1616 PolarHBondContact O-N 2.99Å; K1614-F1616 VanDerWaalsContact O-N 3.11Å; K1614-F1617 HydrophobicContact CB-CD2 4.05Å; K1614-F1617 HydrophobicContact CB-CE2 4.37Å; K1614-F1617 HydrophobicContact CG-CE2 4.4Å; K1614-F1617 WeakPolarHBondContact O-CB 3.38Å; K1614-F1617 WeakPolarHBondContact O-CD2 3.35Å; K1614-F1617 PolarHBondContact O-N 2.94Å |
| 1615 | C | 82.3 | Confident | 84.4 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -58.4 | -27.6 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | V1608 I1609 D1611 V1613 F1617 L1618 M1668 L1671 | V1608-C1615 WeakPolarHBondContact O-CA 3.3Å; V1608-C1615 PolarHBondContact O-N 3.49Å; V1608-C1615 VanDerWaalsContact O-N 3.11Å; I1609-C1615 WeakPolarHBondContact O-CB 3.37Å; D1611-C1615 VanDerWaalsContact O-CB 3.3Å; D1611-C1615 WeakPolarHBondContact O-CB 3.23Å; D1611-C1615 PolarHBondContact O-N 2.99Å; D1611-C1615 PolarHBondContact O-SG 3.01Å; V1613-C1615 VanDerWaalsContact C-N 3.3Å; V1613-C1615 PolarHBondContact O-N 3.43Å; C1615-F1617 VanDerWaalsContact C-N 3.26Å; C1615-F1617 PolarHBondContact O-N 3Å; C1615-L1618 WeakPolarHBondContact O-CB 3.23Å; C1615-L1618 PolarHBondContact O-N 3.4Å; C1615-L1618 VanDerWaalsContact O-N 3.16Å; C1615-M1668 HydrophobicContact CB-CE 4.15Å; C1615-L1671 HydrophobicContact CB-CD1 4.44Å |
| 1616 | F | 79.6 | Confident | 84.4 | Confident | 96 Ų | 96 | 55 Ų | 55 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -68 | -22.3 | 177.6 | -68.6 | -73.6 | 0 | 0 | 0 | 113.4 | P1612 V1613 K1614 L1618 R1619 E1670 | P1612-F1616 WeakPolarHBondContact O-CD2 3.39Å; P1612-F1616 WeakPolarHBondContact O-CE2 3.04Å; V1613-F1616 WeakPolarHBondContact O-CD2 3.22Å; V1613-F1616 PolarHBondContact O-N 3.3Å; K1614-F1616 PolarHBondContact O-N 2.99Å; K1614-F1616 VanDerWaalsContact O-N 3.11Å; F1616-L1618 PolarHBondContact O-N 3.49Å; F1616-R1619 WeakPolarHBondContact O-CB 3.25Å; F1616-R1619 WeakPolarHBondContact O-CG 3.45Å; F1616-R1619 PolarHBondContact O-N 3.26Å; F1616-R1619 VanDerWaalsContact O-N 3.13Å; F1616-E1670 VanDerWaalsContact CE1-OE2 3.3Å; F1616-E1670 WeakPolarHBondContact CE1-OE2 3.46Å |
| 1617 | F | 81.6 | Confident | 84.5 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 23% | 0.228 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -69.6 | -11.7 | 173.4 | -59.8 | -55.5 | 0 | 0 | 0 | 113.3 | P1575 I1579 L1583 K1614 C1615 | P1575-F1617 HydrophobicContact CB-CD1 3.66Å; P1575-F1617 HydrophobicContact CB-CE1 3.76Å; P1575-F1617 HydrophobicContact CG-CD1 3.98Å; P1575-F1617 HydrophobicContact CG-CE1 4.41Å; I1579-F1617 HydrophobicContact CG2-CG 4.41Å; L1583-F1617 HydrophobicContact CD1-CB 3.81Å; K1614-F1617 HydrophobicContact CB-CD2 4.05Å; K1614-F1617 HydrophobicContact CB-CE2 4.37Å; K1614-F1617 HydrophobicContact CG-CE2 4.4Å; K1614-F1617 WeakPolarHBondContact O-CB 3.38Å; K1614-F1617 WeakPolarHBondContact O-CD2 3.35Å; K1614-F1617 PolarHBondContact O-N 2.94Å; C1615-F1617 VanDerWaalsContact C-N 3.26Å; C1615-F1617 PolarHBondContact O-N 3Å |
| 1618 | L | 83.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -87.3 | -5.1 | 173.1 | -71.1 | 165.1 | 0 | 0 | 0 | 113.4 | L1583 I1587 L1605 V1608 I1609 C1615 F1616 G1620 K1621 V1622 L1671 | L1583-L1618 HydrophobicContact CD2-CD2 3.27Å; L1583-L1618 HydrophobicContact CD2-CG 3.78Å; I1587-L1618 HydrophobicContact CD1-CD2 4.1Å; L1605-L1618 HydrophobicContact CD2-CD2 4.32Å; V1608-L1618 HydrophobicContact CB-CD1 4.48Å; V1608-L1618 HydrophobicContact CG1-CD1 3.91Å; V1608-L1618 HydrophobicContact CG1-CG 4.17Å; I1609-L1618 HydrophobicContact CB-CD1 4.46Å; I1609-L1618 HydrophobicContact CD1-CD1 3.99Å; I1609-L1618 HydrophobicContact CG1-CD1 3.22Å; C1615-L1618 WeakPolarHBondContact O-CB 3.23Å; C1615-L1618 PolarHBondContact O-N 3.4Å; C1615-L1618 VanDerWaalsContact O-N 3.16Å; F1616-L1618 PolarHBondContact O-N 3.49Å; L1618-G1620 PolarHBondContact O-N 3.19Å; L1618-K1621 WeakPolarHBondContact O-CA 3.35Å; L1618-K1621 WeakPolarHBondContact O-CB 3.27Å; L1618-K1621 PolarHBondContact O-N 3.36Å; L1618-V1622 PolarHBondContact O-N 3.07Å; L1618-L1671 HydrophobicContact CB-CD2 4.44Å |
| 1619 | R | 80.2 | Confident | 85.2 | Confident | 127 Ų | 127 | 48.1 Ų | 48.1 | 48% | 0.479 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 134.9 | 172.8 | -75.1 | -165.2 | 175.6 | 174.9 | -0.6 | 110.3 | F1616 K1621 E1670 L1671 E1674 | F1616-R1619 WeakPolarHBondContact O-CB 3.25Å; F1616-R1619 WeakPolarHBondContact O-CG 3.45Å; F1616-R1619 PolarHBondContact O-N 3.26Å; F1616-R1619 VanDerWaalsContact O-N 3.13Å; R1619-K1621 PolarHBondContact O-N 2.79Å; R1619-E1670 IonicContact CZ-OE2 2.77Å; R1619-E1670 IonicContact NH2-OE2 3.29Å; R1619-E1670 PolarHBondContact NH2-OE2 3.39Å; R1619-L1671 HydrophobicContact CG-CD2 4.1Å; R1619-E1674 WeakPolarHBondContact CA-OE1 2.93Å; R1619-E1674 WeakPolarHBondContact CA-OE2 3.47Å; R1619-E1674 VanDerWaalsContact CB-OE1 3.29Å; R1619-E1674 WeakPolarHBondContact CB-OE1 3.37Å; R1619-E1674 VanDerWaalsContact CG-OE1 3.24Å; R1619-E1674 WeakPolarHBondContact CG-OE1 3.39Å |
| 1620 | G | 83.2 | Confident | 85.4 | Confident | 72 Ų | 72 | 50 Ų | 50 | 74% | 0.742 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -7.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | L1618 E1674 | L1618-G1620 PolarHBondContact O-N 3.19Å; G1620-E1674 PolarHBondContact N-OE2 3.27Å |
| 1621 | K | 87.4 | Confident | 85.7 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -7.7 | -176.2 | -52 | -172.9 | -175 | -139.5 | 0 | 114 | S1580 L1583 D1584 I1587 L1618 R1619 D1623 R1624 L1625 | S1580-K1621 PolarHBondContact O-NZ 3.49Å; S1580-K1621 WeakPolarHBondContact OG-CE 3.29Å; S1580-K1621 PolarHBondContact OG-NZ 2.81Å; L1583-K1621 HydrophobicContact CB-CD 4.47Å; D1584-K1621 WeakPolarHBondContact OD1-CD 3.48Å; D1584-K1621 IonicContact OD1-NZ 3.73Å; D1584-K1621 PolarHBondContact OD1-NZ 3.29Å; D1584-K1621 IonicContact OD2-NZ 3.59Å; D1584-K1621 PolarHBondContact OD2-NZ 2.95Å; I1587-K1621 HydrophobicContact CD1-CB 3.83Å; I1587-K1621 HydrophobicContact CD1-CD 4.05Å; L1618-K1621 WeakPolarHBondContact O-CA 3.35Å; L1618-K1621 WeakPolarHBondContact O-CB 3.27Å; L1618-K1621 PolarHBondContact O-N 3.36Å; R1619-K1621 PolarHBondContact O-N 2.79Å; K1621-D1623 VanDerWaalsContact C-N 3.3Å; K1621-D1623 PolarHBondContact O-N 3.37Å; K1621-R1624 PolarHBondContact O-N 3.23Å; K1621-L1625 PolarHBondContact O-N 3.15Å |
| 1622 | V | 88.1 | Confident | 86 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.9 | -45.4 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | L1618 R1624 L1625 L1626 T1665 L1671 E1674 | L1618-V1622 PolarHBondContact O-N 3.07Å; V1622-R1624 VanDerWaalsContact C-N 3.32Å; V1622-R1624 PolarHBondContact O-N 3.15Å; V1622-L1625 WeakPolarHBondContact O-CB 3.46Å; V1622-L1625 PolarHBondContact O-N 3.31Å; V1622-L1625 VanDerWaalsContact O-N 3.15Å; V1622-L1626 HydrophobicContact CG1-CD1 4.23Å; V1622-L1626 HydrophobicContact CG1-CG 4.32Å; V1622-L1626 WeakPolarHBondContact O-CG 3.46Å; V1622-L1626 PolarHBondContact O-N 3.05Å; V1622-T1665 HydrophobicContact CG1-CG2 4.32Å; V1622-L1671 HydrophobicContact CG2-CB 3.91Å; V1622-L1671 HydrophobicContact CG2-CD2 3.87Å; V1622-L1671 HydrophobicContact CG2-CG 4.41Å; V1622-E1674 HydrophobicContact CB-CB 4.37Å; V1622-E1674 HydrophobicContact CG2-CB 4.42Å |
| 1623 | D | 87.4 | Confident | 86.7 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -38.8 | -177.8 | -123.8 | 21.2 | 0 | 0 | 0 | 112.8 | K1621 L1626 T1627 A1675 T1676 S1679 | K1621-D1623 VanDerWaalsContact C-N 3.3Å; K1621-D1623 PolarHBondContact O-N 3.37Å; D1623-L1626 PolarHBondContact O-N 3.31Å; D1623-T1627 WeakPolarHBondContact O-CB 3.43Å; D1623-T1627 PolarHBondContact O-N 3.48Å; D1623-T1627 PolarHBondContact O-OG1 2.71Å; D1623-A1675 WeakPolarHBondContact OD1-CA 3.32Å; D1623-T1676 VanDerWaalsContact CG-OG1 3.29Å; D1623-T1676 PolarHBondContact OD1-N 3.18Å; D1623-T1676 PolarHBondContact OD1-OG1 3.24Å; D1623-T1676 WeakPolarHBondContact OD2-CB 3.39Å; D1623-T1676 WeakPolarHBondContact OD2-CG2 3.43Å; D1623-T1676 PolarHBondContact OD2-OG1 3.48Å; D1623-S1679 VanDerWaalsContact OD1-CB 3.27Å; D1623-S1679 WeakPolarHBondContact OD1-CB 3.39Å; D1623-S1679 PolarHBondContact OD1-OG 3.4Å |
| 1624 | R | 89.1 | Confident | 87.2 | Confident | 123 Ų | 123 | 45 Ų | 45 | 46% | 0.464 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 174.2 | -170.1 | 172.2 | -179.4 | 148.6 | -0.3 | 110.9 | I1587 N1588 K1621 V1622 T1627 V1628 | I1587-R1624 HydrophobicContact CG2-CG 4.03Å; N1588-R1624 PolarHBondContact ND2-NH2 3.25Å; N1588-R1624 PolarHBondContact OD1-NE 3.02Å; N1588-R1624 PolarHBondContact OD1-NH2 3.26Å; K1621-R1624 PolarHBondContact O-N 3.23Å; V1622-R1624 VanDerWaalsContact C-N 3.32Å; V1622-R1624 PolarHBondContact O-N 3.15Å; R1624-T1627 PolarHBondContact O-N 3.34Å; R1624-V1628 WeakPolarHBondContact O-CG2 3.4Å; R1624-V1628 PolarHBondContact O-N 3.32Å |
| 1625 | L | 91.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -49.7 | 175 | 175.1 | 58.9 | 0 | 0 | 0 | 111.8 | L1605 I1609 K1621 V1622 T1627 V1628 I1629 I1661 | L1605-L1625 HydrophobicContact CD1-CD1 3.73Å; I1609-L1625 HydrophobicContact CD1-CD2 4.1Å; K1621-L1625 PolarHBondContact O-N 3.15Å; V1622-L1625 WeakPolarHBondContact O-CB 3.46Å; V1622-L1625 PolarHBondContact O-N 3.31Å; V1622-L1625 VanDerWaalsContact O-N 3.15Å; L1625-T1627 VanDerWaalsContact C-N 3.28Å; L1625-T1627 PolarHBondContact O-N 3.34Å; L1625-V1628 PolarHBondContact O-N 3.21Å; L1625-I1629 HydrophobicContact CD1-CD1 3.79Å; L1625-I1629 HydrophobicContact CD1-CG1 4.12Å; L1625-I1629 HydrophobicContact CG-CD1 3.92Å; L1625-I1629 WeakPolarHBondContact O-CB 3.02Å; L1625-I1629 VanDerWaalsContact O-CG1 3.3Å; L1625-I1629 WeakPolarHBondContact O-CG1 3.34Å; L1625-I1629 PolarHBondContact O-N 3.45Å; L1625-I1661 HydrophobicContact CD1-CD1 4.43Å; L1625-I1661 HydrophobicContact CD2-CD1 4.25Å |
| 1626 | L | 91.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -40 | 178.9 | -63.6 | -179.3 | 0 | 0 | 0 | 111.5 | V1622 D1623 I1629 Y1630 L1662 A1675 L1683 | V1622-L1626 HydrophobicContact CG1-CD1 4.23Å; V1622-L1626 HydrophobicContact CG1-CG 4.32Å; V1622-L1626 WeakPolarHBondContact O-CG 3.46Å; V1622-L1626 PolarHBondContact O-N 3.05Å; D1623-L1626 PolarHBondContact O-N 3.31Å; L1626-I1629 PolarHBondContact O-N 3.02Å; L1626-Y1630 WeakPolarHBondContact O-CB 3.46Å; L1626-Y1630 PolarHBondContact O-N 3.45Å; L1626-L1662 HydrophobicContact CD2-CD2 3.83Å; L1626-A1675 HydrophobicContact CD1-CB 3.69Å; L1626-L1683 HydrophobicContact CB-CD2 4.48Å; L1626-L1683 HydrophobicContact CD2-CD2 3.86Å |
| 1627 | T | 90.2 | Very high | 87.8 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.9 | -44.7 | 177.6 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | D1623 R1624 L1625 Y1630 F1631 | D1623-T1627 WeakPolarHBondContact O-CB 3.43Å; D1623-T1627 PolarHBondContact O-N 3.48Å; D1623-T1627 PolarHBondContact O-OG1 2.71Å; R1624-T1627 PolarHBondContact O-N 3.34Å; L1625-T1627 VanDerWaalsContact C-N 3.28Å; L1625-T1627 PolarHBondContact O-N 3.34Å; T1627-Y1630 WeakPolarHBondContact O-CB 3.34Å; T1627-Y1630 PolarHBondContact O-N 3.38Å; T1627-F1631 HydrophobicContact CG2-CD2 3.84Å; T1627-F1631 HydrophobicContact CG2-CE2 3.55Å; T1627-F1631 WeakPolarHBondContact O-CD2 3.28Å; T1627-F1631 PolarHBondContact O-N 3.42Å |
| 1628 | V | 91.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -38.8 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | I1587 V1590 A1591 R1624 L1625 Y1630 F1631 Q1632 | I1587-V1628 HydrophobicContact CG2-CG2 4.27Å; I1587-V1628 WeakPolarHBondContact O-CG1 3.47Å; V1590-V1628 HydrophobicContact CB-CG1 3.59Å; V1590-V1628 HydrophobicContact CG1-CG1 3.78Å; A1591-V1628 HydrophobicContact CB-CG1 3.47Å; A1591-V1628 VanDerWaalsContact CB-CG1 3.47Å; A1591-V1628 VanDerWaalsContact N-CG1 3.3Å; R1624-V1628 WeakPolarHBondContact O-CG2 3.4Å; R1624-V1628 PolarHBondContact O-N 3.32Å; L1625-V1628 PolarHBondContact O-N 3.21Å; V1628-Y1630 VanDerWaalsContact C-N 3.33Å; V1628-Y1630 PolarHBondContact O-N 2.8Å; V1628-F1631 PolarHBondContact O-N 2.85Å; V1628-Q1632 WeakPolarHBondContact O-CB 3.48Å; V1628-Q1632 PolarHBondContact O-N 3.09Å |
| 1629 | I | 92.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 173.1 | -71.6 | 170.1 | 0 | 0 | 0 | 110.6 | V1590 L1625 L1626 Q1632 L1633 V1658 I1661 L1662 L1683 | V1590-I1629 HydrophobicContact CG1-CG1 4.31Å; L1625-I1629 HydrophobicContact CD1-CD1 3.79Å; L1625-I1629 HydrophobicContact CD1-CG1 4.12Å; L1625-I1629 HydrophobicContact CG-CD1 3.92Å; L1625-I1629 WeakPolarHBondContact O-CB 3.02Å; L1625-I1629 VanDerWaalsContact O-CG1 3.3Å; L1625-I1629 WeakPolarHBondContact O-CG1 3.34Å; L1625-I1629 PolarHBondContact O-N 3.45Å; L1626-I1629 PolarHBondContact O-N 3.02Å; I1629-Q1632 PolarHBondContact O-N 3.48Å; I1629-L1633 HydrophobicContact CG2-CD1 4.11Å; I1629-L1633 HydrophobicContact CG2-CG 4.36Å; I1629-L1633 WeakPolarHBondContact O-CG 3.45Å; I1629-L1633 PolarHBondContact O-N 3.2Å; I1629-V1658 HydrophobicContact CG2-CG1 3.47Å; I1629-V1658 VanDerWaalsContact CG2-CG1 3.47Å; I1629-V1658 HydrophobicContact CG2-CG2 4.29Å; I1629-I1661 HydrophobicContact CD1-CG2 3.85Å; I1629-L1662 HydrophobicContact CD1-CD2 3.86Å; I1629-L1662 HydrophobicContact CD1-CG 4.45Å; I1629-L1662 HydrophobicContact CG2-CD1 4.31Å; I1629-L1662 HydrophobicContact CG2-CD2 4.28Å; I1629-L1662 HydrophobicContact CG2-CG 4.44Å; I1629-L1683 HydrophobicContact CG2-CD1 4.01Å |
| 1630 | Y | 91.7 | Very high | 87.6 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.3 | -51.2 | 174.5 | 155.3 | -100.3 | 0 | 0 | 0 | 111.6 | L1626 T1627 V1628 Q1632 L1633 Q1634 D1682 Q1686 | L1626-Y1630 WeakPolarHBondContact O-CB 3.46Å; L1626-Y1630 PolarHBondContact O-N 3.45Å; T1627-Y1630 WeakPolarHBondContact O-CB 3.34Å; T1627-Y1630 PolarHBondContact O-N 3.38Å; V1628-Y1630 VanDerWaalsContact C-N 3.33Å; V1628-Y1630 PolarHBondContact O-N 2.8Å; Y1630-Q1632 VanDerWaalsContact C-N 3.3Å; Y1630-Q1632 PolarHBondContact O-N 2.9Å; Y1630-L1633 PolarHBondContact O-N 3.36Å; Y1630-Q1634 PolarHBondContact O-N 2.67Å; Y1630-Q1634 PolarHBondContact OH-OE1 3.21Å; Y1630-D1682 HydrophobicContact CD1-CB 4.24Å; Y1630-D1682 HydrophobicContact CD2-CB 3.91Å; Y1630-D1682 WeakPolarHBondContact CD2-O 3.35Å; Y1630-D1682 HydrophobicContact CE1-CB 4.32Å; Y1630-D1682 HydrophobicContact CE2-CB 3.99Å; Y1630-D1682 HydrophobicContact CG-CB 4.04Å; Y1630-Q1686 HydrophobicContact CD2-CB 3.61Å; Y1630-Q1686 HydrophobicContact CD2-CG 4.04Å; Y1630-Q1686 HydrophobicContact CE2-CB 3.85Å; Y1630-Q1686 HydrophobicContact CE2-CG 4.28Å |
| 1631 | F | 90.1 | Very high | 86.9 | Confident | 110 Ų | 110 | 36.4 Ų | 36.4 | 48% | 0.482 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.5 | -39.7 | 177.6 | -80.1 | -59.2 | 0 | 0 | 0 | 112.3 | T1627 V1628 Q1634 L1635 | T1627-F1631 HydrophobicContact CG2-CD2 3.84Å; T1627-F1631 HydrophobicContact CG2-CE2 3.55Å; T1627-F1631 WeakPolarHBondContact O-CD2 3.28Å; T1627-F1631 PolarHBondContact O-N 3.42Å; V1628-F1631 PolarHBondContact O-N 2.85Å; F1631-Q1634 WeakPolarHBondContact O-CB 3.44Å; F1631-Q1634 PolarHBondContact O-N 3.33Å; F1631-L1635 WeakPolarHBondContact O-CB 3.2Å; F1631-L1635 PolarHBondContact O-N 3.16Å |
| 1632 | Q | 92.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70 | -36.7 | -179.5 | -167 | 62.9 | 8.4 | 0 | 0 | 112.5 | V1590 S1592 S1598 V1628 I1629 Y1630 Q1634 L1635 A1636 L1654 | V1590-Q1632 HydrophobicContact CG1-CB 4.38Å; V1590-Q1632 WeakPolarHBondContact O-CG 3.19Å; V1590-Q1632 PolarHBondContact O-OE1 3.4Å; V1590-Q1632 VanDerWaalsContact O-OE1 3.12Å; S1592-Q1632 PolarHBondContact O-NE2 3.07Å; S1592-Q1632 PolarHBondContact O-OE1 3.36Å; S1598-Q1632 PolarHBondContact OG-NE2 2.86Å; V1628-Q1632 WeakPolarHBondContact O-CB 3.48Å; V1628-Q1632 PolarHBondContact O-N 3.09Å; I1629-Q1632 PolarHBondContact O-N 3.48Å; Y1630-Q1632 VanDerWaalsContact C-N 3.3Å; Y1630-Q1632 PolarHBondContact O-N 2.9Å; Q1632-Q1634 VanDerWaalsContact C-N 3.33Å; Q1632-L1635 PolarHBondContact O-N 2.92Å; Q1632-A1636 VanDerWaalsContact O-CB 3.3Å; Q1632-A1636 WeakPolarHBondContact O-CB 3.24Å; Q1632-A1636 PolarHBondContact O-N 3.28Å; Q1632-L1654 HydrophobicContact CG-CD1 4.25Å; Q1632-L1654 HydrophobicContact CG-CD2 3.98Å |
| 1633 | L | 89.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 171.9 | -72.4 | 175.7 | 0 | 0 | 0 | 111.5 | I1629 Y1630 Q1637 Y1655 V1658 L1683 Q1686 L1687 | I1629-L1633 HydrophobicContact CG2-CD1 4.11Å; I1629-L1633 HydrophobicContact CG2-CG 4.36Å; I1629-L1633 WeakPolarHBondContact O-CG 3.45Å; I1629-L1633 PolarHBondContact O-N 3.2Å; Y1630-L1633 PolarHBondContact O-N 3.36Å; L1633-Q1637 WeakPolarHBondContact O-CB 3.29Å; L1633-Q1637 PolarHBondContact O-N 3.47Å; L1633-Y1655 HydrophobicContact CD2-CD1 3.72Å; L1633-Y1655 HydrophobicContact CD2-CE1 3.49Å; L1633-Y1655 VanDerWaalsContact CD2-CE1 3.49Å; L1633-Y1655 HydrophobicContact CD2-CG 4.48Å; L1633-V1658 HydrophobicContact CD1-CG1 4.01Å; L1633-V1658 HydrophobicContact CD2-CB 4.33Å; L1633-V1658 HydrophobicContact CD2-CG1 3.97Å; L1633-V1658 HydrophobicContact CD2-CG2 4.31Å; L1633-V1658 HydrophobicContact CG-CG1 4.17Å; L1633-L1683 HydrophobicContact CD1-CD1 4.11Å; L1633-Q1686 HydrophobicContact CB-CG 3.93Å; L1633-L1687 HydrophobicContact CD1-CD2 3.75Å; L1633-L1687 HydrophobicContact CD1-CG 4.38Å |
| 1634 | Q | 87.7 | Confident | 83.8 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.8 | -167.7 | -177.6 | -3 | 0 | 0 | 111.4 | Y1630 F1631 Q1632 G1638 | Y1630-Q1634 PolarHBondContact O-N 2.67Å; Y1630-Q1634 PolarHBondContact OH-OE1 3.21Å; F1631-Q1634 WeakPolarHBondContact O-CB 3.44Å; F1631-Q1634 PolarHBondContact O-N 3.33Å; Q1632-Q1634 VanDerWaalsContact C-N 3.33Å; Q1634-G1638 PolarHBondContact O-N 3.13Å |
| 1635 | L | 85.9 | Confident | 82.4 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 32% | 0.319 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 174.9 | -177.9 | 68.6 | 0 | 0 | 0 | 111.4 | F1631 Q1632 Q1637 G1638 V1639 | F1631-L1635 WeakPolarHBondContact O-CB 3.2Å; F1631-L1635 PolarHBondContact O-N 3.16Å; Q1632-L1635 PolarHBondContact O-N 2.92Å; L1635-Q1637 VanDerWaalsContact C-N 3.33Å; L1635-Q1637 PolarHBondContact O-N 3.34Å; L1635-G1638 CarbonylContact O-C 3.57Å; L1635-G1638 WeakPolarHBondContact O-CA 3.42Å; L1635-G1638 PolarHBondContact O-N 3.48Å; L1635-G1638 VanDerWaalsContact O-N 3.1Å; L1635-V1639 HydrophobicContact CD1-CG2 4.4Å; L1635-V1639 HydrophobicContact CG-CG2 4.39Å; L1635-V1639 WeakPolarHBondContact O-CG2 3.21Å; L1635-V1639 PolarHBondContact O-N 3.04Å |
| 1636 | A | 85.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1595 Q1632 G1638 V1639 Y1640 L1654 Y1655 | L1595-A1636 HydrophobicContact CD2-CB 4.37Å; Q1632-A1636 VanDerWaalsContact O-CB 3.3Å; Q1632-A1636 WeakPolarHBondContact O-CB 3.24Å; Q1632-A1636 PolarHBondContact O-N 3.28Å; A1636-G1638 VanDerWaalsContact C-N 3.34Å; A1636-V1639 PolarHBondContact O-N 3.04Å; A1636-Y1640 WeakPolarHBondContact O-CB 3.3Å; A1636-Y1640 PolarHBondContact O-N 3.32Å; A1636-L1654 HydrophobicContact CB-CD2 3.72Å; A1636-Y1655 HydrophobicContact CB-CE2 4.49Å |
| 1637 | Q | 82.5 | Confident | 80.4 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 173.7 | -164.6 | 178.4 | 14.5 | 0 | 0 | 111 | L1633 L1635 Y1640 L1641 D1693 | L1633-Q1637 WeakPolarHBondContact O-CB 3.29Å; L1633-Q1637 PolarHBondContact O-N 3.47Å; L1635-Q1637 VanDerWaalsContact C-N 3.33Å; L1635-Q1637 PolarHBondContact O-N 3.34Å; Q1637-Y1640 PolarHBondContact O-N 3.31Å; Q1637-L1641 HydrophobicContact CG-CD1 4.07Å; Q1637-L1641 WeakPolarHBondContact O-CB 3.33Å; Q1637-L1641 VanDerWaalsContact O-CD1 3.31Å; Q1637-L1641 WeakPolarHBondContact O-CD1 3.32Å; Q1637-L1641 WeakPolarHBondContact O-CG 3.33Å; Q1637-L1641 PolarHBondContact O-N 2.71Å; Q1637-D1693 PolarHBondContact NE2-OD2 3.5Å |
| 1638 | G | 81.5 | Confident | 79.8 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1634 L1635 A1636 L1641 I1642 | Q1634-G1638 PolarHBondContact O-N 3.13Å; L1635-G1638 CarbonylContact O-C 3.57Å; L1635-G1638 WeakPolarHBondContact O-CA 3.42Å; L1635-G1638 PolarHBondContact O-N 3.48Å; L1635-G1638 VanDerWaalsContact O-N 3.1Å; A1636-G1638 VanDerWaalsContact C-N 3.34Å; G1638-L1641 VanDerWaalsContact O-CB 3.32Å; G1638-L1641 WeakPolarHBondContact O-CB 3.42Å; G1638-L1641 PolarHBondContact O-N 3.29Å; G1638-L1641 VanDerWaalsContact O-N 3.14Å; G1638-I1642 VanDerWaalsContact O-CG1 3.32Å; G1638-I1642 WeakPolarHBondContact O-CG1 3.4Å; G1638-I1642 PolarHBondContact O-N 3.02Å; G1638-I1642 VanDerWaalsContact O-N 3.09Å |
| 1639 | V | 82.1 | Confident | 79.3 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 25% | 0.248 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.8 | 171 | 0 | 0 | 0 | 0 | 110.1 | L1635 A1636 L1641 I1642 D1643 A1646 | L1635-V1639 HydrophobicContact CD1-CG2 4.4Å; L1635-V1639 HydrophobicContact CG-CG2 4.39Å; L1635-V1639 WeakPolarHBondContact O-CG2 3.21Å; L1635-V1639 PolarHBondContact O-N 3.04Å; A1636-V1639 PolarHBondContact O-N 3.04Å; V1639-L1641 PolarHBondContact O-N 3.12Å; V1639-I1642 PolarHBondContact O-N 3.29Å; V1639-D1643 PolarHBondContact O-N 3.49Å; V1639-A1646 HydrophobicContact CG1-CB 3.88Å |
| 1640 | Y | 77.3 | Confident | 78.9 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -26.3 | 175.4 | -170.2 | -113.7 | 0 | 0 | 0 | 113.4 | A1636 Q1637 V1648 I1651 R1695 F1702 | A1636-Y1640 WeakPolarHBondContact O-CB 3.3Å; A1636-Y1640 PolarHBondContact O-N 3.32Å; Q1637-Y1640 PolarHBondContact O-N 3.31Å; Y1640-V1648 HydrophobicContact CE2-CG1 4.46Å; Y1640-V1648 HydrophobicContact CE2-CG2 4.12Å; Y1640-I1651 HydrophobicContact CD2-CD1 3.96Å; Y1640-I1651 HydrophobicContact CG-CD1 4.45Å; Y1640-R1695 HydrophobicContact CE1-CB 4.04Å; Y1640-F1702 HydrophobicContact CE2-CE2 4.24Å |
| 1641 | L | 68.9 | Low | 78.5 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76 | -37 | 176.6 | -92.1 | 146.6 | 0 | 0 | 0 | 113.8 | Q1637 G1638 V1639 R1695 | Q1637-L1641 HydrophobicContact CG-CD1 4.07Å; Q1637-L1641 WeakPolarHBondContact O-CB 3.33Å; Q1637-L1641 VanDerWaalsContact O-CD1 3.31Å; Q1637-L1641 WeakPolarHBondContact O-CD1 3.32Å; Q1637-L1641 WeakPolarHBondContact O-CG 3.33Å; Q1637-L1641 PolarHBondContact O-N 2.71Å; G1638-L1641 VanDerWaalsContact O-CB 3.32Å; G1638-L1641 WeakPolarHBondContact O-CB 3.42Å; G1638-L1641 PolarHBondContact O-N 3.29Å; G1638-L1641 VanDerWaalsContact O-N 3.14Å; V1639-L1641 PolarHBondContact O-N 3.12Å; L1641-R1695 VanDerWaalsContact CG-NH1 3.31Å |
| 1642 | I | 73.2 | Confident | 78.2 | Confident | 147 Ų | 147 | 57.4 Ų | 57.4 | 75% | 0.754 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -103.3 | -37.9 | -165.9 | -61.1 | 167 | 0 | 0 | 0 | 111.4 | G1638 V1639 | G1638-I1642 VanDerWaalsContact O-CG1 3.32Å; G1638-I1642 WeakPolarHBondContact O-CG1 3.4Å; G1638-I1642 PolarHBondContact O-N 3.02Å; G1638-I1642 VanDerWaalsContact O-N 3.09Å; V1639-I1642 PolarHBondContact O-N 3.29Å |
| 1643 | D | 64.1 | Low | 77.9 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | trans | -105.8 | 103.6 | -170.5 | -171.5 | -1.6 | 0 | 0 | 0 | 111.3 | V1639 T1645 A1646 | V1639-D1643 PolarHBondContact O-N 3.49Å; D1643-T1645 PolarHBondContact O-N 3.37Å; D1643-T1645 VanDerWaalsContact O-N 3.16Å; D1643-T1645 WeakPolarHBondContact OD1-CA 3.46Å; D1643-T1645 WeakPolarHBondContact OD1-CB 3.48Å; D1643-T1645 PolarHBondContact OD1-N 3.08Å; D1643-T1645 PolarHBondContact OD1-OG1 2.77Å; D1643-T1645 PolarHBondContact OD2-OG1 2.65Å; D1643-A1646 HydrophobicContact CB-CB 4.21Å; D1643-A1646 WeakPolarHBondContact O-CB 3.3Å; D1643-A1646 PolarHBondContact O-N 3.15Å | ||
| 1644 | N | 60.1 | Low | 77.9 | Confident | 167 Ų | 167 | 59.2 Ų | 59.2 | 89% | 0.893 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.2 | 175.5 | -70.7 | -21.7 | 0 | 0 | 0 | 113.1 | ||
| 1645 | T | 60.9 | Low | 77.9 | Confident | 121 Ų | 121 | 55 Ų | 55 | 74% | 0.742 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3 | 173.9 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | D1643 D1647 | D1643-T1645 PolarHBondContact O-N 3.37Å; D1643-T1645 VanDerWaalsContact O-N 3.16Å; D1643-T1645 WeakPolarHBondContact OD1-CA 3.46Å; D1643-T1645 WeakPolarHBondContact OD1-CB 3.48Å; D1643-T1645 PolarHBondContact OD1-N 3.08Å; D1643-T1645 PolarHBondContact OD1-OG1 2.77Å; D1643-T1645 PolarHBondContact OD2-OG1 2.65Å; T1645-D1647 PolarHBondContact O-N 3.18Å |
| 1646 | A | 63.7 | Low | 78 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | trans | -56.7 | 134.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1639 D1643 V1648 I1651 | V1639-A1646 HydrophobicContact CG1-CB 3.88Å; D1643-A1646 HydrophobicContact CB-CB 4.21Å; D1643-A1646 WeakPolarHBondContact O-CB 3.3Å; D1643-A1646 PolarHBondContact O-N 3.15Å; A1646-V1648 VanDerWaalsContact C-N 3.32Å; A1646-V1648 WeakPolarHBondContact O-CG2 3.36Å; A1646-V1648 PolarHBondContact O-N 3.21Å; A1646-I1651 HydrophobicContact CB-CD1 3.92Å | ||
| 1647 | D | 76.4 | Confident | 78.1 | Confident | 89 Ų | 89 | 56.7 Ų | 56.7 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | trans | -68.8 | 90.6 | 176 | -179.6 | 10.1 | 0 | 0 | 0 | 110.7 | T1645 K1649 T1650 I1651 | T1645-D1647 PolarHBondContact O-N 3.18Å; D1647-K1649 PolarHBondContact O-N 3.02Å; D1647-K1649 WeakPolarHBondContact OD1-CB 3.33Å; D1647-K1649 PolarHBondContact OD1-N 3.23Å; D1647-K1649 VanDerWaalsContact OD1-N 3.09Å; D1647-T1650 PolarHBondContact O-N 2.94Å; D1647-T1650 VanDerWaalsContact O-N 3.1Å; D1647-T1650 PolarHBondContact OD1-N 3.48Å; D1647-T1650 VanDerWaalsContact OD2-CB 3.27Å; D1647-T1650 WeakPolarHBondContact OD2-CB 3.44Å; D1647-T1650 PolarHBondContact OD2-OG1 3.22Å; D1647-I1651 PolarHBondContact O-N 3.37Å | ||
| 1648 | V | 77.9 | Confident | 78.4 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.3 | -32.7 | 180 | -176 | 0 | 0 | 0 | 0 | 111.2 | Y1640 A1646 I1651 I1652 F1702 | Y1640-V1648 HydrophobicContact CE2-CG1 4.46Å; Y1640-V1648 HydrophobicContact CE2-CG2 4.12Å; A1646-V1648 VanDerWaalsContact C-N 3.32Å; A1646-V1648 WeakPolarHBondContact O-CG2 3.36Å; A1646-V1648 PolarHBondContact O-N 3.21Å; V1648-I1651 PolarHBondContact O-N 2.75Å; V1648-I1652 HydrophobicContact CG1-CD1 3.82Å; V1648-I1652 HydrophobicContact CG1-CG1 4.31Å; V1648-I1652 WeakPolarHBondContact O-CB 3.35Å; V1648-I1652 VanDerWaalsContact O-CG1 3.24Å; V1648-I1652 WeakPolarHBondContact O-CG1 3.47Å; V1648-I1652 PolarHBondContact O-N 3.48Å; V1648-F1702 HydrophobicContact CG1-CE2 3.74Å; V1648-F1702 HydrophobicContact CG1-CZ 4.12Å |
| 1649 | K | 82.1 | Confident | 78.6 | Confident | 154 Ų | 154 | 55.1 Ų | 55.1 | 67% | 0.67 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.1 | -45 | 178.5 | -69.3 | -178.2 | 177.9 | 176.6 | 0 | 111 | D1647 I1651 I1652 A1653 | D1647-K1649 PolarHBondContact O-N 3.02Å; D1647-K1649 WeakPolarHBondContact OD1-CB 3.33Å; D1647-K1649 PolarHBondContact OD1-N 3.23Å; D1647-K1649 VanDerWaalsContact OD1-N 3.09Å; K1649-I1651 VanDerWaalsContact C-N 3.34Å; K1649-I1652 PolarHBondContact O-N 3.38Å; K1649-A1653 WeakPolarHBondContact O-CB 3.45Å; K1649-A1653 PolarHBondContact O-N 3.46Å |
| 1650 | T | 83 | Confident | 78.9 | Confident | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 176.8 | -65.7 | 0 | 0 | 0 | 0 | 111.6 | L1595 D1647 A1653 L1654 | L1595-T1650 HydrophobicContact CB-CG2 3.64Å; D1647-T1650 PolarHBondContact O-N 2.94Å; D1647-T1650 VanDerWaalsContact O-N 3.1Å; D1647-T1650 PolarHBondContact OD1-N 3.48Å; D1647-T1650 VanDerWaalsContact OD2-CB 3.27Å; D1647-T1650 WeakPolarHBondContact OD2-CB 3.44Å; D1647-T1650 PolarHBondContact OD2-OG1 3.22Å; T1650-A1653 PolarHBondContact O-N 3.48Å; T1650-L1654 WeakPolarHBondContact O-CB 3.5Å; T1650-L1654 PolarHBondContact O-N 2.79Å |
| 1651 | I | 84.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 173.3 | -66.2 | 163.8 | 0 | 0 | 0 | 110.9 | L1595 Y1640 A1646 D1647 V1648 K1649 A1653 L1654 Y1655 F1702 | L1595-I1651 HydrophobicContact CD1-CD1 4.48Å; L1595-I1651 HydrophobicContact CD1-CG1 3.65Å; Y1640-I1651 HydrophobicContact CD2-CD1 3.96Å; Y1640-I1651 HydrophobicContact CG-CD1 4.45Å; A1646-I1651 HydrophobicContact CB-CD1 3.92Å; D1647-I1651 PolarHBondContact O-N 3.37Å; V1648-I1651 PolarHBondContact O-N 2.75Å; K1649-I1651 VanDerWaalsContact C-N 3.34Å; I1651-A1653 VanDerWaalsContact C-N 3.32Å; I1651-A1653 PolarHBondContact O-N 3.43Å; I1651-L1654 WeakPolarHBondContact O-CB 3.46Å; I1651-L1654 PolarHBondContact O-N 2.77Å; I1651-Y1655 HydrophobicContact CG2-CD2 3.84Å; I1651-Y1655 HydrophobicContact CG2-CE2 3.82Å; I1651-Y1655 WeakPolarHBondContact O-CD2 3.34Å; I1651-Y1655 PolarHBondContact O-N 3.25Å; I1651-F1702 HydrophobicContact CG2-CE1 4.22Å; I1651-F1702 HydrophobicContact CG2-CZ 3.93Å |
| 1652 | I | 83.4 | Confident | 80.5 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.6 | -69.6 | 164.7 | 0 | 0 | 0 | 110.7 | V1648 K1649 L1654 Y1655 K1656 V1699 E1701 F1702 | V1648-I1652 HydrophobicContact CG1-CD1 3.82Å; V1648-I1652 HydrophobicContact CG1-CG1 4.31Å; V1648-I1652 WeakPolarHBondContact O-CB 3.35Å; V1648-I1652 VanDerWaalsContact O-CG1 3.24Å; V1648-I1652 WeakPolarHBondContact O-CG1 3.47Å; V1648-I1652 PolarHBondContact O-N 3.48Å; K1649-I1652 PolarHBondContact O-N 3.38Å; I1652-L1654 VanDerWaalsContact C-N 3.32Å; I1652-L1654 PolarHBondContact O-N 3.14Å; I1652-Y1655 PolarHBondContact O-N 3.22Å; I1652-K1656 HydrophobicContact CG2-CD 3.93Å; I1652-K1656 VanDerWaalsContact CG2-CE 3.45Å; I1652-K1656 HydrophobicContact CG2-CG 4.41Å; I1652-K1656 WeakPolarHBondContact O-CB 3.46Å; I1652-K1656 WeakPolarHBondContact O-CG 3.5Å; I1652-K1656 PolarHBondContact O-N 3.33Å; I1652-V1699 HydrophobicContact CD1-CG1 4.35Å; I1652-E1701 HydrophobicContact CD1-CB 3.96Å; I1652-E1701 HydrophobicContact CG2-CB 4.43Å; I1652-F1702 HydrophobicContact CB-CE1 4.34Å; I1652-F1702 HydrophobicContact CD1-CD2 4.42Å; I1652-F1702 HydrophobicContact CD1-CE1 4.41Å; I1652-F1702 HydrophobicContact CD1-CE2 4.15Å; I1652-F1702 HydrophobicContact CD1-CZ 4.15Å; I1652-F1702 HydrophobicContact CG1-CD1 3.78Å; I1652-F1702 HydrophobicContact CG1-CD2 4.3Å; I1652-F1702 HydrophobicContact CG1-CE1 3.35Å; I1652-F1702 HydrophobicContact CG1-CE2 3.87Å; I1652-F1702 HydrophobicContact CG1-CG 4.23Å; I1652-F1702 HydrophobicContact CG1-CZ 3.38Å |
| 1653 | A | 86.5 | Confident | 81.1 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1599 K1649 T1650 I1651 K1656 A1657 | V1599-A1653 HydrophobicContact CG2-CB 4.32Å; K1649-A1653 WeakPolarHBondContact O-CB 3.45Å; K1649-A1653 PolarHBondContact O-N 3.46Å; T1650-A1653 PolarHBondContact O-N 3.48Å; I1651-A1653 VanDerWaalsContact C-N 3.32Å; I1651-A1653 PolarHBondContact O-N 3.43Å; A1653-K1656 PolarHBondContact O-N 2.87Å; A1653-A1657 WeakPolarHBondContact O-CB 3.44Å; A1653-A1657 PolarHBondContact O-N 3.04Å |
| 1654 | L | 88.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 175.5 | 179.9 | 63.7 | 0 | 0 | 0 | 111.9 | L1595 V1599 Q1632 A1636 T1650 I1651 I1652 K1656 A1657 V1658 | L1595-L1654 HydrophobicContact CD2-CD2 3.91Å; V1599-L1654 HydrophobicContact CG2-CB 3.72Å; V1599-L1654 HydrophobicContact CG2-CD1 4.1Å; Q1632-L1654 HydrophobicContact CG-CD1 4.25Å; Q1632-L1654 HydrophobicContact CG-CD2 3.98Å; A1636-L1654 HydrophobicContact CB-CD2 3.72Å; T1650-L1654 WeakPolarHBondContact O-CB 3.5Å; T1650-L1654 PolarHBondContact O-N 2.79Å; I1651-L1654 WeakPolarHBondContact O-CB 3.46Å; I1651-L1654 PolarHBondContact O-N 2.77Å; I1652-L1654 VanDerWaalsContact C-N 3.32Å; I1652-L1654 PolarHBondContact O-N 3.14Å; L1654-K1656 VanDerWaalsContact C-N 3.31Å; L1654-K1656 PolarHBondContact O-N 2.81Å; L1654-A1657 PolarHBondContact O-N 3.1Å; L1654-V1658 HydrophobicContact CD1-CG2 4.11Å; L1654-V1658 HydrophobicContact CG-CG2 4.42Å; L1654-V1658 WeakPolarHBondContact O-CB 3.37Å; L1654-V1658 VanDerWaalsContact O-CG2 3.27Å; L1654-V1658 WeakPolarHBondContact O-CG2 3.26Å; L1654-V1658 PolarHBondContact O-N 3.11Å |
| 1655 | Y | 89 | Confident | 83.4 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 176.7 | -88.4 | -78.8 | 0 | 0 | 0 | 112.6 | L1633 A1636 I1651 I1652 C1659 T1690 F1696 F1702 V1705 I1709 | L1633-Y1655 HydrophobicContact CD2-CD1 3.72Å; L1633-Y1655 HydrophobicContact CD2-CE1 3.49Å; L1633-Y1655 VanDerWaalsContact CD2-CE1 3.49Å; L1633-Y1655 HydrophobicContact CD2-CG 4.48Å; A1636-Y1655 HydrophobicContact CB-CE2 4.49Å; I1651-Y1655 HydrophobicContact CG2-CD2 3.84Å; I1651-Y1655 HydrophobicContact CG2-CE2 3.82Å; I1651-Y1655 WeakPolarHBondContact O-CD2 3.34Å; I1651-Y1655 PolarHBondContact O-N 3.25Å; I1652-Y1655 PolarHBondContact O-N 3.22Å; Y1655-C1659 WeakPolarHBondContact O-CB 3.35Å; Y1655-C1659 PolarHBondContact O-N 3.45Å; Y1655-C1659 PolarHBondContact O-SG 2.61Å; Y1655-T1690 HydrophobicContact CE1-CG2 3.64Å; Y1655-F1696 HydrophobicContact CD2-CE1 4.37Å; Y1655-F1696 AromaticContact CE2-CE1 3.89Å; Y1655-F1696 HydrophobicContact CE2-CE1 3.89Å; Y1655-F1696 AromaticContact CE2-CZ 3.98Å; Y1655-F1696 HydrophobicContact CE2-CZ 3.98Å; Y1655-F1696 AromaticContact CZ-CZ 3.89Å; Y1655-F1702 HydrophobicContact CD2-CE1 4.19Å; Y1655-V1705 HydrophobicContact CD1-CG1 3.93Å; Y1655-V1705 HydrophobicContact CG-CG1 3.91Å; Y1655-I1709 HydrophobicContact CD1-CD1 4.19Å; Y1655-I1709 HydrophobicContact CE1-CD1 4.34Å |
| 1656 | K | 87.1 | Confident | 84.4 | Confident | 90 Ų | 90 | 28.1 Ų | 28.1 | 39% | 0.391 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 175.1 | -74.7 | 172.6 | -178.8 | 164 | 0 | 111 | I1652 A1653 L1654 V1658 C1659 N1660 E1701 V1705 | I1652-K1656 HydrophobicContact CG2-CD 3.93Å; I1652-K1656 VanDerWaalsContact CG2-CE 3.45Å; I1652-K1656 HydrophobicContact CG2-CG 4.41Å; I1652-K1656 WeakPolarHBondContact O-CB 3.46Å; I1652-K1656 WeakPolarHBondContact O-CG 3.5Å; I1652-K1656 PolarHBondContact O-N 3.33Å; A1653-K1656 PolarHBondContact O-N 2.87Å; L1654-K1656 VanDerWaalsContact C-N 3.31Å; L1654-K1656 PolarHBondContact O-N 2.81Å; K1656-V1658 PolarHBondContact O-N 3.33Å; K1656-C1659 PolarHBondContact O-N 2.92Å; K1656-N1660 WeakPolarHBondContact O-CB 3.41Å; K1656-N1660 PolarHBondContact O-N 2.78Å; K1656-N1660 PolarHBondContact O-ND2 3.32Å; K1656-E1701 IonicContact NZ-OE2 2.81Å; K1656-V1705 HydrophobicContact CG-CG2 4.21Å |
| 1657 | A | 88.2 | Confident | 85.2 | Confident | 6 Ų | 6 | 33.6 Ų | 33.6 | 5% | 0.05 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1599 V1602 A1653 L1654 N1660 I1661 | V1599-A1657 HydrophobicContact CG1-CB 4.4Å; V1602-A1657 HydrophobicContact CB-CB 4.28Å; V1602-A1657 HydrophobicContact CG1-CB 3.78Å; V1602-A1657 WeakPolarHBondContact CG1-O 3.43Å; A1653-A1657 WeakPolarHBondContact O-CB 3.44Å; A1653-A1657 PolarHBondContact O-N 3.04Å; L1654-A1657 PolarHBondContact O-N 3.1Å; A1657-N1660 PolarHBondContact O-N 2.82Å; A1657-I1661 PolarHBondContact O-N 3.29Å |
| 1658 | V | 89 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | V1602 I1629 L1633 L1654 K1656 N1660 I1661 L1662 | V1602-V1658 HydrophobicContact CG2-CG2 4.44Å; I1629-V1658 HydrophobicContact CG2-CG1 3.47Å; I1629-V1658 VanDerWaalsContact CG2-CG1 3.47Å; I1629-V1658 HydrophobicContact CG2-CG2 4.29Å; L1633-V1658 HydrophobicContact CD1-CG1 4.01Å; L1633-V1658 HydrophobicContact CD2-CB 4.33Å; L1633-V1658 HydrophobicContact CD2-CG1 3.97Å; L1633-V1658 HydrophobicContact CD2-CG2 4.31Å; L1633-V1658 HydrophobicContact CG-CG1 4.17Å; L1654-V1658 HydrophobicContact CD1-CG2 4.11Å; L1654-V1658 HydrophobicContact CG-CG2 4.42Å; L1654-V1658 WeakPolarHBondContact O-CB 3.37Å; L1654-V1658 VanDerWaalsContact O-CG2 3.27Å; L1654-V1658 WeakPolarHBondContact O-CG2 3.26Å; L1654-V1658 PolarHBondContact O-N 3.11Å; K1656-V1658 PolarHBondContact O-N 3.33Å; V1658-N1660 PolarHBondContact O-N 3.01Å; V1658-I1661 VanDerWaalsContact O-CG2 3.31Å; V1658-I1661 WeakPolarHBondContact O-CG2 3.38Å; V1658-I1661 PolarHBondContact O-N 2.89Å; V1658-L1662 HydrophobicContact CG1-CD1 3.6Å; V1658-L1662 HydrophobicContact CG1-CG 4.04Å; V1658-L1662 WeakPolarHBondContact O-CB 3.32Å; V1658-L1662 WeakPolarHBondContact O-CG 3.24Å; V1658-L1662 PolarHBondContact O-N 2.99Å |
| 1659 | C | 85.4 | Confident | 85.5 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -36.6 | 176.9 | -71.3 | 0 | 0 | 0 | 0 | 112 | Y1655 K1656 L1663 | Y1655-C1659 WeakPolarHBondContact O-CB 3.35Å; Y1655-C1659 PolarHBondContact O-N 3.45Å; Y1655-C1659 PolarHBondContact O-SG 2.61Å; K1656-C1659 PolarHBondContact O-N 2.92Å; C1659-L1663 VanDerWaalsContact O-CB 3.24Å; C1659-L1663 WeakPolarHBondContact O-CB 3.2Å; C1659-L1663 PolarHBondContact O-N 2.56Å |
| 1660 | N | 88.3 | Confident | 85.4 | Confident | 80 Ų | 80 | 32.5 Ų | 32.5 | 43% | 0.428 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -72.2 | -47.3 | -179.2 | -75.3 | -20.2 | 0 | 0 | 0 | 112.8 | K1656 A1657 V1658 L1662 L1663 A1664 | K1656-N1660 WeakPolarHBondContact O-CB 3.41Å; K1656-N1660 PolarHBondContact O-N 2.78Å; K1656-N1660 PolarHBondContact O-ND2 3.32Å; A1657-N1660 PolarHBondContact O-N 2.82Å; V1658-N1660 PolarHBondContact O-N 3.01Å; N1660-L1662 VanDerWaalsContact C-N 3.35Å; N1660-L1663 PolarHBondContact O-N 3.44Å; N1660-A1664 PolarHBondContact O-N 3.28Å |
| 1661 | I | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.9 | -165.1 | 175.7 | 0 | 0 | 0 | 110.7 | V1602 L1605 Q1606 I1609 L1625 I1629 A1657 V1658 L1663 A1664 T1665 | V1602-I1661 HydrophobicContact CG1-CB 3.92Å; V1602-I1661 HydrophobicContact CG1-CD1 4.29Å; V1602-I1661 HydrophobicContact CG1-CG2 3.63Å; L1605-I1661 HydrophobicContact CB-CD1 3.54Å; Q1606-I1661 HydrophobicContact CB-CB 4.18Å; Q1606-I1661 HydrophobicContact CB-CG1 4.1Å; Q1606-I1661 HydrophobicContact CG-CB 4.41Å; I1609-I1661 HydrophobicContact CD1-CD1 3.87Å; I1609-I1661 HydrophobicContact CD1-CG1 3.57Å; L1625-I1661 HydrophobicContact CD1-CD1 4.43Å; L1625-I1661 HydrophobicContact CD2-CD1 4.25Å; I1629-I1661 HydrophobicContact CD1-CG2 3.85Å; A1657-I1661 PolarHBondContact O-N 3.29Å; V1658-I1661 VanDerWaalsContact O-CG2 3.31Å; V1658-I1661 WeakPolarHBondContact O-CG2 3.38Å; V1658-I1661 PolarHBondContact O-N 2.89Å; I1661-L1663 VanDerWaalsContact C-N 3.31Å; I1661-L1663 PolarHBondContact O-N 3.01Å; I1661-A1664 CarbonylContact O-C 3.35Å; I1661-A1664 WeakPolarHBondContact O-CA 3.46Å; I1661-A1664 WeakPolarHBondContact O-CB 3.2Å; I1661-A1664 PolarHBondContact O-N 3.46Å; I1661-T1665 PolarHBondContact O-N 3.1Å; I1661-T1665 PolarHBondContact O-OG1 3.15Å |
| 1662 | L | 88.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.5 | -74.4 | -176.9 | 0 | 0 | 0 | 111.2 | L1626 I1629 V1658 N1660 A1664 T1665 V1666 L1683 L1687 Y1712 | L1626-L1662 HydrophobicContact CD2-CD2 3.83Å; I1629-L1662 HydrophobicContact CD1-CD2 3.86Å; I1629-L1662 HydrophobicContact CD1-CG 4.45Å; I1629-L1662 HydrophobicContact CG2-CD1 4.31Å; I1629-L1662 HydrophobicContact CG2-CD2 4.28Å; I1629-L1662 HydrophobicContact CG2-CG 4.44Å; V1658-L1662 HydrophobicContact CG1-CD1 3.6Å; V1658-L1662 HydrophobicContact CG1-CG 4.04Å; V1658-L1662 WeakPolarHBondContact O-CB 3.32Å; V1658-L1662 WeakPolarHBondContact O-CG 3.24Å; V1658-L1662 PolarHBondContact O-N 2.99Å; N1660-L1662 VanDerWaalsContact C-N 3.35Å; L1662-A1664 VanDerWaalsContact C-N 3.32Å; L1662-A1664 PolarHBondContact O-N 2.91Å; L1662-T1665 PolarHBondContact O-N 3.2Å; L1662-V1666 WeakPolarHBondContact O-CG2 3.36Å; L1662-V1666 PolarHBondContact O-N 3.35Å; L1662-L1683 HydrophobicContact CD1-CD1 4.27Å; L1662-L1683 HydrophobicContact CD1-CD2 4.28Å; L1662-L1683 HydrophobicContact CD2-CD2 3.75Å; L1662-L1687 HydrophobicContact CD1-CD1 4.3Å; L1662-Y1712 VanDerWaalsContact C-CE2 3.48Å; L1662-Y1712 HydrophobicContact CB-CD2 3.77Å; L1662-Y1712 HydrophobicContact CB-CE1 4.26Å; L1662-Y1712 HydrophobicContact CB-CE2 3.39Å; L1662-Y1712 HydrophobicContact CB-CG 4.35Å; L1662-Y1712 HydrophobicContact CD1-CD1 4.28Å; L1662-Y1712 HydrophobicContact CD1-CE1 3.83Å; L1662-Y1712 HydrophobicContact CD1-CE2 4.46Å; L1662-Y1712 HydrophobicContact CG-CE2 4.37Å; L1662-Y1712 VanDerWaalsContact O-CE2 3.32Å; L1662-Y1712 WeakPolarHBondContact O-CE2 3.4Å |
| 1663 | L | 85.6 | Confident | 85.2 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 174.3 | -177.5 | 62.7 | 0 | 0 | 0 | 112.6 | C1659 N1660 I1661 R1667 M1711 K1715 | C1659-L1663 VanDerWaalsContact O-CB 3.24Å; C1659-L1663 WeakPolarHBondContact O-CB 3.2Å; C1659-L1663 PolarHBondContact O-N 2.56Å; N1660-L1663 PolarHBondContact O-N 3.44Å; I1661-L1663 VanDerWaalsContact C-N 3.31Å; I1661-L1663 PolarHBondContact O-N 3.01Å; L1663-R1667 WeakPolarHBondContact O-CG 3.21Å; L1663-R1667 PolarHBondContact O-N 2.91Å; L1663-M1711 HydrophobicContact CD1-CE 4.46Å; L1663-M1711 HydrophobicContact CD2-CE 3.82Å; L1663-K1715 HydrophobicContact CD1-CD 3.3Å |
| 1664 | A | 85.9 | Confident | 85 | Confident | 5 Ų | 5 | 36 Ų | 36 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q1606 I1609 N1610 N1660 I1661 L1662 V1666 R1667 | Q1606-A1664 HydrophobicContact CG-CB 4.49Å; I1609-A1664 HydrophobicContact CG2-CB 3.77Å; N1610-A1664 WeakPolarHBondContact OD1-CB 3.37Å; N1660-A1664 PolarHBondContact O-N 3.28Å; I1661-A1664 CarbonylContact O-C 3.35Å; I1661-A1664 WeakPolarHBondContact O-CA 3.46Å; I1661-A1664 WeakPolarHBondContact O-CB 3.2Å; I1661-A1664 PolarHBondContact O-N 3.46Å; L1662-A1664 VanDerWaalsContact C-N 3.32Å; L1662-A1664 PolarHBondContact O-N 2.91Å; A1664-V1666 PolarHBondContact O-N 2.76Å; A1664-R1667 WeakPolarHBondContact O-CB 3.36Å; A1664-R1667 PolarHBondContact O-N 3.47Å; A1664-R1667 VanDerWaalsContact O-N 3.16Å |
| 1665 | T | 86.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.9 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | I1609 V1622 I1661 L1662 R1667 M1668 M1672 | I1609-T1665 WeakPolarHBondContact CD1-OG1 3.46Å; V1622-T1665 HydrophobicContact CG1-CG2 4.32Å; I1661-T1665 PolarHBondContact O-N 3.1Å; I1661-T1665 PolarHBondContact O-OG1 3.15Å; L1662-T1665 PolarHBondContact O-N 3.2Å; T1665-R1667 PolarHBondContact O-N 3.45Å; T1665-R1667 VanDerWaalsContact O-N 3.16Å; T1665-M1668 PolarHBondContact O-N 2.95Å; T1665-M1672 HydrophobicContact CG2-SD 3.8Å; T1665-M1672 WeakPolarHBondContact O-CG 3.38Å |
| 1666 | V | 81.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.6 | -16.6 | -179.6 | 167.3 | 0 | 0 | 0 | 0 | 114 | L1662 A1664 M1668 M1672 Y1712 K1715 L1716 N1719 | L1662-V1666 WeakPolarHBondContact O-CG2 3.36Å; L1662-V1666 PolarHBondContact O-N 3.35Å; A1664-V1666 PolarHBondContact O-N 2.76Å; V1666-M1668 VanDerWaalsContact C-N 3.34Å; V1666-M1672 HydrophobicContact CG2-CE 4.04Å; V1666-M1672 HydrophobicContact CG2-CG 4.31Å; V1666-M1672 HydrophobicContact CG2-SD 3.76Å; V1666-Y1712 HydrophobicContact CB-CE2 4.21Å; V1666-Y1712 HydrophobicContact CG2-CD2 4.29Å; V1666-Y1712 HydrophobicContact CG2-CE2 3.38Å; V1666-K1715 HydrophobicContact CG1-CB 4.12Å; V1666-L1716 HydrophobicContact CG2-CB 4.22Å; V1666-N1719 HydrophobicContact CG1-CB 3.94Å; V1666-N1719 PolarHBondContact O-ND2 3.19Å |
| 1667 | R | 81.5 | Confident | 85.1 | Confident | 129 Ų | 129 | 35.3 Ų | 35.3 | 49% | 0.487 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -78.5 | -21.2 | 172.1 | -72.9 | 168.5 | 172.2 | -178.7 | -1.9 | 112.6 | L1663 A1664 T1665 E1669 | L1663-R1667 WeakPolarHBondContact O-CG 3.21Å; L1663-R1667 PolarHBondContact O-N 2.91Å; A1664-R1667 WeakPolarHBondContact O-CB 3.36Å; A1664-R1667 PolarHBondContact O-N 3.47Å; A1664-R1667 VanDerWaalsContact O-N 3.16Å; T1665-R1667 PolarHBondContact O-N 3.45Å; T1665-R1667 VanDerWaalsContact O-N 3.16Å; R1667-E1669 PolarHBondContact O-N 3.23Å |
| 1668 | M | 82.9 | Confident | 85.2 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 29% | 0.286 | 19% | 0.189 | S | C | . | . | trans | -96.1 | 89.1 | 178.9 | -59.7 | -56.5 | -138.7 | 0 | 0 | 109.6 | I1609 C1615 T1665 V1666 E1670 L1671 M1672 | I1609-M1668 HydrophobicContact CG2-CG 4.41Å; I1609-M1668 WeakPolarHBondContact O-CE 3.42Å; C1615-M1668 HydrophobicContact CB-CE 4.15Å; T1665-M1668 PolarHBondContact O-N 2.95Å; V1666-M1668 VanDerWaalsContact C-N 3.34Å; M1668-E1670 PolarHBondContact O-N 3.44Å; M1668-L1671 HydrophobicContact CB-CB 4.1Å; M1668-L1671 HydrophobicContact CB-CD1 3.88Å; M1668-L1671 HydrophobicContact CB-CG 4.02Å; M1668-L1671 HydrophobicContact CG-CD1 4.21Å; M1668-L1671 PolarHBondContact O-N 2.84Å; M1668-L1671 VanDerWaalsContact O-N 3.09Å; M1668-M1672 PolarHBondContact O-N 3.21Å | ||
| 1669 | E | 78.4 | Confident | 85.3 | Confident | 108 Ų | 108 | 37.4 Ų | 37.4 | 51% | 0.505 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54 | -37.1 | -177.9 | -171.5 | 175.2 | 176.7 | 0 | 0 | 111.9 | R1667 M1672 N1673 K1767 | R1667-E1669 PolarHBondContact O-N 3.23Å; E1669-M1672 PolarHBondContact O-N 2.71Å; E1669-N1673 PolarHBondContact O-N 3.48Å; E1669-N1673 PolarHBondContact O-ND2 3.36Å; E1669-N1673 VanDerWaalsContact O-ND2 3.09Å; E1669-K1767 IonicContact OE1-NZ 2.86Å |
| 1670 | E | 78.4 | Confident | 85.6 | Confident | 104 Ų | 104 | 37 Ų | 37 | 49% | 0.486 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.8 | -42 | 178 | -61.7 | -174.1 | -174.7 | 0 | 0 | 113.3 | F1616 R1619 M1668 N1673 | F1616-E1670 VanDerWaalsContact CE1-OE2 3.3Å; F1616-E1670 WeakPolarHBondContact CE1-OE2 3.46Å; R1619-E1670 IonicContact CZ-OE2 2.77Å; R1619-E1670 IonicContact NH2-OE2 3.29Å; R1619-E1670 PolarHBondContact NH2-OE2 3.39Å; M1668-E1670 PolarHBondContact O-N 3.44Å; E1670-N1673 PolarHBondContact O-N 2.61Å |
| 1671 | L | 82.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.7 | -40.9 | 176.3 | -65.8 | 179.7 | 0 | 0 | 0 | 110.8 | C1615 L1618 R1619 V1622 M1668 N1673 E1674 | C1615-L1671 HydrophobicContact CB-CD1 4.44Å; L1618-L1671 HydrophobicContact CB-CD2 4.44Å; R1619-L1671 HydrophobicContact CG-CD2 4.1Å; V1622-L1671 HydrophobicContact CG2-CB 3.91Å; V1622-L1671 HydrophobicContact CG2-CD2 3.87Å; V1622-L1671 HydrophobicContact CG2-CG 4.41Å; M1668-L1671 HydrophobicContact CB-CB 4.1Å; M1668-L1671 HydrophobicContact CB-CD1 3.88Å; M1668-L1671 HydrophobicContact CB-CG 4.02Å; M1668-L1671 HydrophobicContact CG-CD1 4.21Å; M1668-L1671 PolarHBondContact O-N 2.84Å; M1668-L1671 VanDerWaalsContact O-N 3.09Å; L1671-N1673 PolarHBondContact O-N 3.04Å; L1671-E1674 WeakPolarHBondContact O-CB 3.27Å; L1671-E1674 PolarHBondContact O-N 3.21Å; L1671-E1674 VanDerWaalsContact O-N 3.07Å |
| 1672 | M | 83.8 | Confident | 86 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -19.3 | 177.9 | -71.5 | -55.9 | -53.7 | 0 | 0 | 113.9 | T1665 V1666 M1668 E1669 E1674 A1675 L1680 C1720 | T1665-M1672 HydrophobicContact CG2-SD 3.8Å; T1665-M1672 WeakPolarHBondContact O-CG 3.38Å; V1666-M1672 HydrophobicContact CG2-CE 4.04Å; V1666-M1672 HydrophobicContact CG2-CG 4.31Å; V1666-M1672 HydrophobicContact CG2-SD 3.76Å; M1668-M1672 PolarHBondContact O-N 3.21Å; E1669-M1672 PolarHBondContact O-N 2.71Å; M1672-E1674 VanDerWaalsContact C-N 3.26Å; M1672-A1675 HydrophobicContact CE-CB 4.32Å; M1672-A1675 PolarHBondContact O-N 3.41Å; M1672-L1680 HydrophobicContact CE-CD1 4.3Å; M1672-C1720 HydrophobicContact CE-CB 4.3Å |
| 1673 | N | 81 | Confident | 86.2 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 40% | 0.396 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -18.5 | 173.1 | -75.4 | -34.7 | 0 | 0 | 0 | 112.9 | E1669 E1670 L1671 | E1669-N1673 PolarHBondContact O-N 3.48Å; E1669-N1673 PolarHBondContact O-ND2 3.36Å; E1669-N1673 VanDerWaalsContact O-ND2 3.09Å; E1670-N1673 PolarHBondContact O-N 2.61Å; L1671-N1673 PolarHBondContact O-N 3.04Å |
| 1674 | E | 82.2 | Confident | 86.5 | Confident | 65 Ų | 65 | 36.1 Ų | 36.1 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -85.7 | -13.4 | 174.6 | -61 | -177.2 | 177.7 | 0 | 0 | 113.2 | R1619 G1620 V1622 L1671 M1672 T1676 | R1619-E1674 WeakPolarHBondContact CA-OE1 2.93Å; R1619-E1674 WeakPolarHBondContact CA-OE2 3.47Å; R1619-E1674 VanDerWaalsContact CB-OE1 3.29Å; R1619-E1674 WeakPolarHBondContact CB-OE1 3.37Å; R1619-E1674 VanDerWaalsContact CG-OE1 3.24Å; R1619-E1674 WeakPolarHBondContact CG-OE1 3.39Å; G1620-E1674 PolarHBondContact N-OE2 3.27Å; V1622-E1674 HydrophobicContact CB-CB 4.37Å; V1622-E1674 HydrophobicContact CG2-CB 4.42Å; L1671-E1674 WeakPolarHBondContact O-CB 3.27Å; L1671-E1674 PolarHBondContact O-N 3.21Å; L1671-E1674 VanDerWaalsContact O-N 3.07Å; M1672-E1674 VanDerWaalsContact C-N 3.26Å; E1674-T1676 PolarHBondContact O-N 3.43Å |
| 1675 | A | 86.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | trans | -68.5 | 127.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1623 L1626 M1672 I1724 | D1623-A1675 WeakPolarHBondContact OD1-CA 3.32Å; L1626-A1675 HydrophobicContact CD1-CB 3.69Å; M1672-A1675 HydrophobicContact CE-CB 4.32Å; M1672-A1675 PolarHBondContact O-N 3.41Å; A1675-I1724 VanDerWaalsContact O-CD1 3.31Å; A1675-I1724 WeakPolarHBondContact O-CD1 3.45Å | ||
| 1676 | T | 90.4 | Very high | 87 | Confident | 55 Ų | 55 | 37.1 Ų | 37.1 | 34% | 0.337 | 19% | 0.188 | S | C | . | . | trans | -78 | 160.6 | 174.5 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | D1623 E1674 A1678 S1679 L1680 | D1623-T1676 VanDerWaalsContact CG-OG1 3.29Å; D1623-T1676 PolarHBondContact OD1-N 3.18Å; D1623-T1676 PolarHBondContact OD1-OG1 3.24Å; D1623-T1676 WeakPolarHBondContact OD2-CB 3.39Å; D1623-T1676 WeakPolarHBondContact OD2-CG2 3.43Å; D1623-T1676 PolarHBondContact OD2-OG1 3.48Å; E1674-T1676 PolarHBondContact O-N 3.43Å; T1676-A1678 PolarHBondContact O-N 3.47Å; T1676-S1679 PolarHBondContact O-OG 2.79Å; T1676-S1679 VanDerWaalsContact O-OG 3.07Å; T1676-S1679 PolarHBondContact OG1-N 3.07Å; T1676-S1679 PolarHBondContact OG1-OG 2.95Å; T1676-L1680 VanDerWaalsContact O-CB 3.32Å; T1676-L1680 WeakPolarHBondContact O-CB 3.41Å; T1676-L1680 PolarHBondContact O-N 3.16Å; T1676-L1680 VanDerWaalsContact O-N 3.13Å | ||
| 1677 | D | 90.1 | Very high | 87.5 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.5 | -24.5 | 174.8 | 53.2 | -45.4 | 0 | 0 | 0 | 112.6 | K1681 I1724 V1727 A1728 R1731 R1772 | D1677-K1681 WeakPolarHBondContact O-CB 3Å; D1677-K1681 PolarHBondContact O-N 3.28Å; D1677-I1724 HydrophobicContact CB-CG2 3.94Å; D1677-V1727 HydrophobicContact CB-CB 4.37Å; D1677-V1727 HydrophobicContact CB-CG1 3.98Å; D1677-V1727 VanDerWaalsContact OD2-CG1 3.3Å; D1677-V1727 WeakPolarHBondContact OD2-CG1 3.27Å; D1677-A1728 HydrophobicContact CB-CB 4.41Å; D1677-A1728 WeakPolarHBondContact O-CB 3.33Å; D1677-R1731 IonicContact OD2-CZ 3.21Å; D1677-R1731 IonicContact OD2-NE 3.53Å; D1677-R1731 IonicContact OD2-NH1 2.73Å; D1677-R1731 PolarHBondContact OD2-NH1 2.98Å; D1677-R1731 IonicContact OD2-NH2 2.77Å; D1677-R1731 PolarHBondContact OD2-NH2 2.83Å; D1677-R1772 IonicContact OD1-NH2 3.59Å; D1677-R1772 PolarHBondContact OD1-NH2 2.98Å; D1677-R1772 IonicContact OD2-CZ 3.09Å; D1677-R1772 IonicContact OD2-NH2 2.92Å; D1677-R1772 PolarHBondContact OD2-NH2 3.31Å |
| 1678 | A | 91 | Very high | 88 | Confident | 47 Ų | 47 | 31 Ų | 31 | 39% | 0.388 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.1 | -54.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1676 L1680 K1681 D1682 | T1676-A1678 PolarHBondContact O-N 3.47Å; A1678-L1680 VanDerWaalsContact C-N 3.27Å; A1678-L1680 PolarHBondContact O-N 2.99Å; A1678-K1681 PolarHBondContact O-N 3.48Å; A1678-K1681 VanDerWaalsContact O-N 3.17Å; A1678-D1682 PolarHBondContact O-N 2.98Å |
| 1679 | S | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | D1623 T1676 L1683 | D1623-S1679 VanDerWaalsContact OD1-CB 3.27Å; D1623-S1679 WeakPolarHBondContact OD1-CB 3.39Å; D1623-S1679 PolarHBondContact OD1-OG 3.4Å; T1676-S1679 PolarHBondContact O-OG 2.79Å; T1676-S1679 VanDerWaalsContact O-OG 3.07Å; T1676-S1679 PolarHBondContact OG1-N 3.07Å; T1676-S1679 PolarHBondContact OG1-OG 2.95Å; S1679-L1683 WeakPolarHBondContact O-CB 3.35Å; S1679-L1683 PolarHBondContact O-N 3.26Å |
| 1680 | L | 91.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68 | -39.9 | 177.8 | -161.1 | 70.6 | 0 | 0 | 0 | 112.3 | M1672 T1676 A1678 V1684 L1716 I1724 C1725 A1728 | M1672-L1680 HydrophobicContact CE-CD1 4.3Å; T1676-L1680 VanDerWaalsContact O-CB 3.32Å; T1676-L1680 WeakPolarHBondContact O-CB 3.41Å; T1676-L1680 PolarHBondContact O-N 3.16Å; T1676-L1680 VanDerWaalsContact O-N 3.13Å; A1678-L1680 VanDerWaalsContact C-N 3.27Å; A1678-L1680 PolarHBondContact O-N 2.99Å; L1680-V1684 HydrophobicContact CG-CG2 4.39Å; L1680-V1684 VanDerWaalsContact O-CB 3.29Å; L1680-V1684 WeakPolarHBondContact O-CB 3Å; L1680-V1684 VanDerWaalsContact O-CG2 3.22Å; L1680-V1684 WeakPolarHBondContact O-CG2 3.34Å; L1680-V1684 PolarHBondContact O-N 3.06Å; L1680-L1716 HydrophobicContact CD1-CD1 3.55Å; L1680-L1716 HydrophobicContact CD1-CD2 3.91Å; L1680-L1716 HydrophobicContact CD1-CG 3.96Å; L1680-L1716 HydrophobicContact CD2-CD2 4.23Å; L1680-L1716 HydrophobicContact CG-CD2 4.26Å; L1680-I1724 HydrophobicContact CD2-CG2 4.14Å; L1680-C1725 HydrophobicContact CD2-CB 4.25Å; L1680-A1728 HydrophobicContact CB-CB 4.13Å; L1680-A1728 HydrophobicContact CD2-CB 4.16Å; L1680-A1728 HydrophobicContact CG-CB 4.37Å |
| 1681 | K | 94.4 | Very high | 89 | Confident | 25 Ų | 25 | 22 Ų | 22 | 11% | 0.109 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.7 | -178.7 | -136.2 | 63 | 156 | 0 | 110.6 | D1677 A1678 G1685 A1728 R1731 L1732 E1735 | D1677-K1681 WeakPolarHBondContact O-CB 3Å; D1677-K1681 PolarHBondContact O-N 3.28Å; A1678-K1681 PolarHBondContact O-N 3.48Å; A1678-K1681 VanDerWaalsContact O-N 3.17Å; K1681-G1685 PolarHBondContact O-N 3.37Å; K1681-A1728 HydrophobicContact CB-CB 3.96Å; K1681-R1731 HydrophobicContact CD-CB 3.96Å; K1681-R1731 HydrophobicContact CG-CB 4.12Å; K1681-L1732 HydrophobicContact CG-CB 3.93Å; K1681-L1732 HydrophobicContact CG-CD1 4.46Å; K1681-E1735 WeakPolarHBondContact CD-OE1 3.4Å; K1681-E1735 IonicContact NZ-OE1 3.21Å; K1681-E1735 PolarHBondContact NZ-OE1 3.01Å; K1681-E1735 IonicContact NZ-OE2 3.15Å; K1681-E1735 PolarHBondContact NZ-OE2 3.44Å |
| 1682 | D | 93.4 | Very high | 89.2 | Confident | 51 Ų | 51 | 23 Ų | 23 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.9 | -47.3 | -179.9 | -68.9 | -28.6 | 0 | 0 | 0 | 111.3 | Y1630 A1678 G1685 Q1686 | Y1630-D1682 HydrophobicContact CD1-CB 4.24Å; Y1630-D1682 HydrophobicContact CD2-CB 3.91Å; Y1630-D1682 WeakPolarHBondContact CD2-O 3.35Å; Y1630-D1682 HydrophobicContact CE1-CB 4.32Å; Y1630-D1682 HydrophobicContact CE2-CB 3.99Å; Y1630-D1682 HydrophobicContact CG-CB 4.04Å; A1678-D1682 PolarHBondContact O-N 2.98Å; D1682-G1685 PolarHBondContact O-N 3.09Å; D1682-Q1686 WeakPolarHBondContact O-CB 3.45Å; D1682-Q1686 PolarHBondContact O-N 3.03Å |
| 1683 | L | 92 | Very high | 89 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -48.4 | 179.5 | -178 | 64.5 | 0 | 0 | 0 | 112.5 | L1626 I1629 L1633 L1662 S1679 G1685 Q1686 L1687 Y1712 | L1626-L1683 HydrophobicContact CB-CD2 4.48Å; L1626-L1683 HydrophobicContact CD2-CD2 3.86Å; I1629-L1683 HydrophobicContact CG2-CD1 4.01Å; L1633-L1683 HydrophobicContact CD1-CD1 4.11Å; L1662-L1683 HydrophobicContact CD1-CD1 4.27Å; L1662-L1683 HydrophobicContact CD1-CD2 4.28Å; L1662-L1683 HydrophobicContact CD2-CD2 3.75Å; S1679-L1683 WeakPolarHBondContact O-CB 3.35Å; S1679-L1683 PolarHBondContact O-N 3.26Å; L1683-G1685 VanDerWaalsContact C-N 3.32Å; L1683-G1685 PolarHBondContact O-N 3.29Å; L1683-Q1686 PolarHBondContact O-N 2.69Å; L1683-L1687 HydrophobicContact CD1-CD1 4.24Å; L1683-L1687 HydrophobicContact CD1-CG 4.38Å; L1683-L1687 HydrophobicContact CG-CD1 4.06Å; L1683-L1687 WeakPolarHBondContact O-CB 2.96Å; L1683-L1687 VanDerWaalsContact O-CG 3.24Å; L1683-L1687 WeakPolarHBondContact O-CG 3.38Å; L1683-L1687 PolarHBondContact O-N 3.33Å; L1683-Y1712 HydrophobicContact CD2-CE1 4.5Å |
| 1684 | V | 92.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.4 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | L1680 Q1686 L1687 L1688 L1716 L1729 L1732 | L1680-V1684 HydrophobicContact CG-CG2 4.39Å; L1680-V1684 VanDerWaalsContact O-CB 3.29Å; L1680-V1684 WeakPolarHBondContact O-CB 3Å; L1680-V1684 VanDerWaalsContact O-CG2 3.22Å; L1680-V1684 WeakPolarHBondContact O-CG2 3.34Å; L1680-V1684 PolarHBondContact O-N 3.06Å; V1684-Q1686 PolarHBondContact O-N 3.45Å; V1684-L1687 PolarHBondContact O-N 3.11Å; V1684-L1688 HydrophobicContact CG1-CD1 4.01Å; V1684-L1688 HydrophobicContact CG1-CG 4.18Å; V1684-L1688 WeakPolarHBondContact O-CB 3.4Å; V1684-L1688 VanDerWaalsContact O-CG 3.27Å; V1684-L1688 WeakPolarHBondContact O-CG 3.36Å; V1684-L1688 PolarHBondContact O-N 3.44Å; V1684-L1716 HydrophobicContact CG2-CD1 3.95Å; V1684-L1716 HydrophobicContact CG2-CD2 4.04Å; V1684-L1729 HydrophobicContact CG1-CD2 4.18Å; V1684-L1732 HydrophobicContact CG1-CD2 4.23Å |
| 1685 | G | 92.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 9% | 0.093 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1681 D1682 L1683 L1688 T1689 | K1681-G1685 PolarHBondContact O-N 3.37Å; D1682-G1685 PolarHBondContact O-N 3.09Å; L1683-G1685 VanDerWaalsContact C-N 3.32Å; L1683-G1685 PolarHBondContact O-N 3.29Å; G1685-L1688 PolarHBondContact O-N 2.8Å; G1685-T1689 WeakPolarHBondContact O-CB 3.26Å; G1685-T1689 PolarHBondContact O-N 3.18Å; G1685-T1689 PolarHBondContact O-OG1 2.94Å |
| 1686 | Q | 91.6 | Very high | 87.4 | Confident | 18 Ų | 18 | 26.6 Ų | 26.6 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 179.5 | -174.8 | 54.5 | 32 | 0 | 0 | 112.7 | Y1630 L1633 D1682 L1683 V1684 T1689 T1690 | Y1630-Q1686 HydrophobicContact CD2-CB 3.61Å; Y1630-Q1686 HydrophobicContact CD2-CG 4.04Å; Y1630-Q1686 HydrophobicContact CE2-CB 3.85Å; Y1630-Q1686 HydrophobicContact CE2-CG 4.28Å; L1633-Q1686 HydrophobicContact CB-CG 3.93Å; D1682-Q1686 WeakPolarHBondContact O-CB 3.45Å; D1682-Q1686 PolarHBondContact O-N 3.03Å; L1683-Q1686 PolarHBondContact O-N 2.69Å; V1684-Q1686 PolarHBondContact O-N 3.45Å; Q1686-T1689 PolarHBondContact O-N 3.32Å; Q1686-T1690 PolarHBondContact O-N 3.4Å; Q1686-T1690 PolarHBondContact O-OG1 3.15Å |
| 1687 | L | 91.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 176.2 | -71.6 | 173.2 | 0 | 0 | 0 | 112.2 | L1633 L1662 L1683 V1684 T1689 T1690 L1691 I1709 Y1712 V1713 | L1633-L1687 HydrophobicContact CD1-CD2 3.75Å; L1633-L1687 HydrophobicContact CD1-CG 4.38Å; L1662-L1687 HydrophobicContact CD1-CD1 4.3Å; L1683-L1687 HydrophobicContact CD1-CD1 4.24Å; L1683-L1687 HydrophobicContact CD1-CG 4.38Å; L1683-L1687 HydrophobicContact CG-CD1 4.06Å; L1683-L1687 WeakPolarHBondContact O-CB 2.96Å; L1683-L1687 VanDerWaalsContact O-CG 3.24Å; L1683-L1687 WeakPolarHBondContact O-CG 3.38Å; L1683-L1687 PolarHBondContact O-N 3.33Å; V1684-L1687 PolarHBondContact O-N 3.11Å; L1687-T1689 VanDerWaalsContact C-N 3.33Å; L1687-T1690 WeakPolarHBondContact O-CB 3.38Å; L1687-T1690 PolarHBondContact O-N 3.27Å; L1687-L1691 WeakPolarHBondContact O-CG 3.44Å; L1687-L1691 PolarHBondContact O-N 3.28Å; L1687-I1709 HydrophobicContact CB-CG2 3.83Å; L1687-I1709 HydrophobicContact CD2-CD1 4.37Å; L1687-I1709 HydrophobicContact CD2-CG1 4.17Å; L1687-I1709 HydrophobicContact CD2-CG2 3.97Å; L1687-I1709 HydrophobicContact CG-CG2 4.39Å; L1687-Y1712 HydrophobicContact CD1-CD1 3.51Å; L1687-Y1712 HydrophobicContact CD1-CE1 3.38Å; L1687-V1713 HydrophobicContact CB-CG2 4.37Å; L1687-V1713 HydrophobicContact CD1-CG2 4.44Å |
| 1688 | L | 92 | Very high | 85.1 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -37.3 | 174.8 | -67.3 | -176.1 | 0 | 0 | 0 | 111.6 | V1684 G1685 T1690 L1691 C1692 V1713 L1732 L1746 L1749 V1750 | V1684-L1688 HydrophobicContact CG1-CD1 4.01Å; V1684-L1688 HydrophobicContact CG1-CG 4.18Å; V1684-L1688 WeakPolarHBondContact O-CB 3.4Å; V1684-L1688 VanDerWaalsContact O-CG 3.27Å; V1684-L1688 WeakPolarHBondContact O-CG 3.36Å; V1684-L1688 PolarHBondContact O-N 3.44Å; G1685-L1688 PolarHBondContact O-N 2.8Å; L1688-T1690 VanDerWaalsContact C-N 3.32Å; L1688-T1690 PolarHBondContact O-N 3.42Å; L1688-L1691 HydrophobicContact CD2-CD1 4.07Å; L1688-L1691 WeakPolarHBondContact O-CB 3.13Å; L1688-L1691 PolarHBondContact O-N 3.39Å; L1688-L1691 VanDerWaalsContact O-N 3.16Å; L1688-C1692 PolarHBondContact O-N 3.18Å; L1688-C1692 VanDerWaalsContact O-N 3.13Å; L1688-C1692 PolarHBondContact O-SG 3.03Å; L1688-C1692 VanDerWaalsContact O-SG 3.36Å; L1688-V1713 HydrophobicContact CD2-CG1 4.38Å; L1688-V1713 HydrophobicContact CD2-CG2 4.4Å; L1688-L1732 HydrophobicContact CD1-CD2 4.24Å; L1688-L1746 HydrophobicContact CB-CD1 3.64Å; L1688-L1749 HydrophobicContact CD1-CB 4.35Å; L1688-L1749 HydrophobicContact CD2-CB 4.16Å; L1688-L1749 HydrophobicContact CD2-CD1 4.37Å; L1688-V1750 HydrophobicContact CD1-CG2 3.82Å |
| 1689 | T | 88.5 | Confident | 83.9 | Confident | 52 Ų | 52 | 33.8 Ų | 33.8 | 32% | 0.319 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 174 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | G1685 Q1686 L1687 L1691 C1692 D1693 | G1685-T1689 WeakPolarHBondContact O-CB 3.26Å; G1685-T1689 PolarHBondContact O-N 3.18Å; G1685-T1689 PolarHBondContact O-OG1 2.94Å; Q1686-T1689 PolarHBondContact O-N 3.32Å; L1687-T1689 VanDerWaalsContact C-N 3.33Å; T1689-L1691 VanDerWaalsContact C-N 3.33Å; T1689-L1691 PolarHBondContact O-N 3.25Å; T1689-C1692 WeakPolarHBondContact O-CB 3.49Å; T1689-C1692 PolarHBondContact O-N 3.19Å; T1689-D1693 PolarHBondContact O-N 2.64Å |
| 1690 | T | 86.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 173.1 | -54 | 0 | 0 | 0 | 0 | 111.6 | Y1655 Q1686 L1687 L1688 C1692 D1693 F1696 I1709 | Y1655-T1690 HydrophobicContact CE1-CG2 3.64Å; Q1686-T1690 PolarHBondContact O-N 3.4Å; Q1686-T1690 PolarHBondContact O-OG1 3.15Å; L1687-T1690 WeakPolarHBondContact O-CB 3.38Å; L1687-T1690 PolarHBondContact O-N 3.27Å; L1688-T1690 VanDerWaalsContact C-N 3.32Å; L1688-T1690 PolarHBondContact O-N 3.42Å; T1690-C1692 VanDerWaalsContact C-N 3.26Å; T1690-C1692 PolarHBondContact O-N 2.99Å; T1690-D1693 WeakPolarHBondContact O-CB 3.32Å; T1690-D1693 PolarHBondContact O-N 3.24Å; T1690-F1696 HydrophobicContact CG2-CE1 4.04Å; T1690-F1696 HydrophobicContact CG2-CE2 4.07Å; T1690-F1696 HydrophobicContact CG2-CZ 3.78Å; T1690-I1709 HydrophobicContact CG2-CD1 3.85Å |
| 1691 | L | 86.9 | Confident | 81.9 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -30.2 | 176 | -69.7 | 179.7 | 0 | 0 | 0 | 113 | L1687 L1688 T1689 D1693 K1706 I1709 N1710 L1749 | L1687-L1691 WeakPolarHBondContact O-CG 3.44Å; L1687-L1691 PolarHBondContact O-N 3.28Å; L1688-L1691 HydrophobicContact CD2-CD1 4.07Å; L1688-L1691 WeakPolarHBondContact O-CB 3.13Å; L1688-L1691 PolarHBondContact O-N 3.39Å; L1688-L1691 VanDerWaalsContact O-N 3.16Å; T1689-L1691 VanDerWaalsContact C-N 3.33Å; T1689-L1691 PolarHBondContact O-N 3.25Å; L1691-D1693 VanDerWaalsContact C-N 3.28Å; L1691-D1693 PolarHBondContact O-N 3.17Å; L1691-K1706 HydrophobicContact CD2-CB 3.89Å; L1691-K1706 HydrophobicContact CD2-CG 3.96Å; L1691-K1706 WeakPolarHBondContact CD2-O 3.36Å; L1691-K1706 WeakPolarHBondContact O-CE 3.3Å; L1691-I1709 HydrophobicContact CD1-CG2 4.04Å; L1691-I1709 HydrophobicContact CD2-CB 3.99Å; L1691-I1709 HydrophobicContact CD2-CG2 3.88Å; L1691-I1709 HydrophobicContact CG-CB 4.46Å; L1691-I1709 HydrophobicContact CG-CG2 3.79Å; L1691-N1710 HydrophobicContact CD1-CB 4.31Å; L1691-L1749 HydrophobicContact CB-CD1 4Å |
| 1692 | C | 85.1 | Confident | 81 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.2 | 177.2 | -67.4 | 0 | 0 | 0 | 0 | 113.8 | L1688 T1689 T1690 N1694 L1749 | L1688-C1692 PolarHBondContact O-N 3.18Å; L1688-C1692 VanDerWaalsContact O-N 3.13Å; L1688-C1692 PolarHBondContact O-SG 3.03Å; L1688-C1692 VanDerWaalsContact O-SG 3.36Å; T1689-C1692 WeakPolarHBondContact O-CB 3.49Å; T1689-C1692 PolarHBondContact O-N 3.19Å; T1690-C1692 VanDerWaalsContact C-N 3.26Å; T1690-C1692 PolarHBondContact O-N 2.99Å; C1692-N1694 PolarHBondContact O-N 2.79Å; C1692-L1749 VanDerWaalsContact SG-CD1 3.57Å |
| 1693 | D | 80 | Confident | 80 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 11% | 0.107 | 24% | 0.238 | C | C | . | . | trans | -84 | 110.1 | -177 | -167.8 | -24.6 | 0 | 0 | 0 | 110.3 | Q1637 T1689 T1690 L1691 R1695 F1696 K1706 | Q1637-D1693 PolarHBondContact NE2-OD2 3.5Å; T1689-D1693 PolarHBondContact O-N 2.64Å; T1690-D1693 WeakPolarHBondContact O-CB 3.32Å; T1690-D1693 PolarHBondContact O-N 3.24Å; L1691-D1693 VanDerWaalsContact C-N 3.28Å; L1691-D1693 PolarHBondContact O-N 3.17Å; D1693-R1695 PolarHBondContact O-N 2.97Å; D1693-R1695 WeakPolarHBondContact OD1-CB 3.49Å; D1693-R1695 IonicContact OD1-CZ 3.04Å; D1693-R1695 PolarHBondContact OD1-N 3.39Å; D1693-R1695 IonicContact OD1-NE 3.74Å; D1693-R1695 PolarHBondContact OD1-NE 3.16Å; D1693-R1695 IonicContact OD1-NH2 3.51Å; D1693-R1695 PolarHBondContact OD1-NH2 3.06Å; D1693-R1695 IonicContact OD2-CZ 3.63Å; D1693-R1695 IonicContact OD2-NE 2.85Å; D1693-R1695 IonicContact OD2-NH2 3.69Å; D1693-R1695 PolarHBondContact OD2-NH2 3.21Å; D1693-F1696 HydrophobicContact CB-CD2 3.58Å; D1693-F1696 HydrophobicContact CB-CE2 3.82Å; D1693-F1696 PolarHBondContact O-N 3.1Å; D1693-K1706 WeakPolarHBondContact O-CE 3.23Å; D1693-K1706 PolarHBondContact O-NZ 3.35Å | ||
| 1694 | N | 76.3 | Confident | 79.3 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 60% | 0.599 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -69 | -20.5 | -175 | -65 | -13.2 | 0 | 0 | 0 | 112.8 | C1692 F1696 E1697 | C1692-N1694 PolarHBondContact O-N 2.79Å; N1694-F1696 PolarHBondContact O-N 2.77Å; N1694-E1697 VanDerWaalsContact O-CB 3.26Å; N1694-E1697 WeakPolarHBondContact O-CB 3.44Å; N1694-E1697 WeakPolarHBondContact O-CG 3.48Å; N1694-E1697 PolarHBondContact O-N 3.42Å |
| 1695 | R | 69.9 | Low | 78.6 | Confident | 83 Ų | 83 | 49.5 Ų | 49.5 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -65.5 | -28.9 | -179.1 | -66.7 | 171.2 | -65.4 | 172.7 | 0.9 | 112.7 | Y1640 L1641 D1693 E1697 T1698 | Y1640-R1695 HydrophobicContact CE1-CB 4.04Å; L1641-R1695 VanDerWaalsContact CG-NH1 3.31Å; D1693-R1695 PolarHBondContact O-N 2.97Å; D1693-R1695 WeakPolarHBondContact OD1-CB 3.49Å; D1693-R1695 IonicContact OD1-CZ 3.04Å; D1693-R1695 PolarHBondContact OD1-N 3.39Å; D1693-R1695 IonicContact OD1-NE 3.74Å; D1693-R1695 PolarHBondContact OD1-NE 3.16Å; D1693-R1695 IonicContact OD1-NH2 3.51Å; D1693-R1695 PolarHBondContact OD1-NH2 3.06Å; D1693-R1695 IonicContact OD2-CZ 3.63Å; D1693-R1695 IonicContact OD2-NE 2.85Å; D1693-R1695 IonicContact OD2-NH2 3.69Å; D1693-R1695 PolarHBondContact OD2-NH2 3.21Å; R1695-E1697 PolarHBondContact O-N 2.94Å; R1695-T1698 PolarHBondContact O-N 3.01Å; R1695-T1698 PolarHBondContact O-OG1 3.5Å |
| 1696 | F | 70 | Confident | 78.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -63 | -8.6 | 171.8 | -73.6 | -98.6 | 0 | 0 | 0 | 113.3 | Y1655 T1690 D1693 N1694 F1702 K1706 | Y1655-F1696 HydrophobicContact CD2-CE1 4.37Å; Y1655-F1696 AromaticContact CE2-CE1 3.89Å; Y1655-F1696 HydrophobicContact CE2-CE1 3.89Å; Y1655-F1696 AromaticContact CE2-CZ 3.98Å; Y1655-F1696 HydrophobicContact CE2-CZ 3.98Å; Y1655-F1696 AromaticContact CZ-CZ 3.89Å; T1690-F1696 HydrophobicContact CG2-CE1 4.04Å; T1690-F1696 HydrophobicContact CG2-CE2 4.07Å; T1690-F1696 HydrophobicContact CG2-CZ 3.78Å; D1693-F1696 HydrophobicContact CB-CD2 3.58Å; D1693-F1696 HydrophobicContact CB-CE2 3.82Å; D1693-F1696 PolarHBondContact O-N 3.1Å; N1694-F1696 PolarHBondContact O-N 2.77Å; F1696-F1702 HydrophobicContact CB-CB 3.94Å; F1696-F1702 HydrophobicContact CB-CG 4.36Å; F1696-F1702 HydrophobicContact CD1-CB 3.78Å; F1696-F1702 AromaticContact CD1-CD1 3.25Å; F1696-F1702 HydrophobicContact CD1-CD1 3.25Å; F1696-F1702 HydrophobicContact CD1-CD2 4Å; F1696-F1702 AromaticContact CD1-CE1 3.7Å; F1696-F1702 HydrophobicContact CD1-CE1 3.7Å; F1696-F1702 HydrophobicContact CD1-CE2 4.43Å; F1696-F1702 AromaticContact CD1-CG 3.44Å; F1696-F1702 HydrophobicContact CD1-CG 3.44Å; F1696-F1702 VanDerWaalsContact CD1-CG 3.44Å; F1696-F1702 HydrophobicContact CD1-CZ 4.29Å; F1696-F1702 AromaticContact CE1-CD1 3.52Å; F1696-F1702 HydrophobicContact CE1-CD1 3.52Å; F1696-F1702 AromaticContact CE1-CE1 3.47Å; F1696-F1702 HydrophobicContact CE1-CE1 3.47Å; F1696-F1702 VanDerWaalsContact CE1-CE1 3.47Å; F1696-F1702 HydrophobicContact CE1-CG 4.11Å; F1696-F1702 HydrophobicContact CE1-CZ 4.05Å; F1696-F1702 HydrophobicContact CG-CB 4.32Å; F1696-F1702 HydrophobicContact CG-CD1 4.42Å; F1696-F1702 HydrophobicContact CG-CG 4.24Å; F1696-F1702 WeakPolarHBondContact O-CB 3.43Å; F1696-K1706 HydrophobicContact CB-CD 4.18Å; F1696-K1706 HydrophobicContact CB-CG 4.41Å |
| 1697 | E | 66.3 | Low | 77.6 | Confident | 111 Ų | 111 | 55.7 Ų | 55.7 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -86.6 | -20.6 | 174.6 | -55.6 | -175.9 | 173.8 | 0 | 0 | 112.4 | N1694 R1695 V1699 K1706 | N1694-E1697 VanDerWaalsContact O-CB 3.26Å; N1694-E1697 WeakPolarHBondContact O-CB 3.44Å; N1694-E1697 WeakPolarHBondContact O-CG 3.48Å; N1694-E1697 PolarHBondContact O-N 3.42Å; R1695-E1697 PolarHBondContact O-N 2.94Å; E1697-V1699 VanDerWaalsContact C-N 3.32Å; E1697-V1699 PolarHBondContact O-N 2.88Å; E1697-K1706 VanDerWaalsContact CG-NZ 3.26Å; E1697-K1706 IonicContact OE1-NZ 3.49Å; E1697-K1706 PolarHBondContact OE1-NZ 3.28Å; E1697-K1706 VanDerWaalsContact OE1-NZ 3.16Å |
| 1698 | T | 65.1 | Low | 77 | Confident | 112 Ų | 112 | 57.7 Ų | 57.7 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -73.3 | -24.3 | -178.1 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | R1695 | R1695-T1698 PolarHBondContact O-N 3.01Å; R1695-T1698 PolarHBondContact O-OG1 3.5Å |
| 1699 | V | 65.7 | Low | 76.7 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -113.2 | 116.3 | 178.5 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | I1652 E1697 E1701 F1702 | I1652-V1699 HydrophobicContact CD1-CG1 4.35Å; E1697-V1699 VanDerWaalsContact C-N 3.32Å; E1697-V1699 PolarHBondContact O-N 2.88Å; V1699-E1701 PolarHBondContact O-N 2.77Å; V1699-E1701 VanDerWaalsContact O-N 3.1Å; V1699-F1702 HydrophobicContact CB-CD2 3.77Å; V1699-F1702 HydrophobicContact CB-CE2 4.46Å; V1699-F1702 HydrophobicContact CG1-CD2 4.34Å; V1699-F1702 HydrophobicContact CG2-CD2 4.17Å; V1699-F1702 HydrophobicContact CG2-CE2 4.5Å; V1699-F1702 WeakPolarHBondContact O-CB 3.44Å; V1699-F1702 PolarHBondContact O-N 3.17Å |
| 1700 | E | 70.9 | Confident | 76.6 | Confident | 159 Ų | 159 | 58.9 Ų | 58.9 | 74% | 0.743 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -55.9 | -33.7 | -172.4 | -160.3 | 178.8 | -173.5 | 0 | 0 | 113.1 | F1702 A1703 | E1700-F1702 VanDerWaalsContact C-N 3.3Å; E1700-F1702 PolarHBondContact O-N 3.32Å; E1700-A1703 VanDerWaalsContact O-CB 3.28Å; E1700-A1703 WeakPolarHBondContact O-CB 3.25Å; E1700-A1703 PolarHBondContact O-N 2.83Å; E1700-A1703 VanDerWaalsContact O-N 3.13Å |
| 1701 | E | 70.3 | Confident | 76.4 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -29.5 | 176.9 | -67.3 | -170.2 | -168.6 | 0 | 0 | 113.9 | I1652 K1656 V1699 A1703 N1704 V1705 | I1652-E1701 HydrophobicContact CD1-CB 3.96Å; I1652-E1701 HydrophobicContact CG2-CB 4.43Å; K1656-E1701 IonicContact NZ-OE2 2.81Å; V1699-E1701 PolarHBondContact O-N 2.77Å; V1699-E1701 VanDerWaalsContact O-N 3.1Å; E1701-A1703 VanDerWaalsContact C-N 3.3Å; E1701-A1703 PolarHBondContact O-N 3.13Å; E1701-N1704 PolarHBondContact O-N 3.13Å; E1701-V1705 PolarHBondContact O-N 3.43Å |
| 1702 | F | 74.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.6 | -20.8 | 175.4 | -82.1 | -52.7 | 0 | 0 | 0 | 112.5 | Y1640 V1648 I1651 I1652 Y1655 F1696 V1699 E1700 N1704 V1705 K1706 | Y1640-F1702 HydrophobicContact CE2-CE2 4.24Å; V1648-F1702 HydrophobicContact CG1-CE2 3.74Å; V1648-F1702 HydrophobicContact CG1-CZ 4.12Å; I1651-F1702 HydrophobicContact CG2-CE1 4.22Å; I1651-F1702 HydrophobicContact CG2-CZ 3.93Å; I1652-F1702 HydrophobicContact CB-CE1 4.34Å; I1652-F1702 HydrophobicContact CD1-CD2 4.42Å; I1652-F1702 HydrophobicContact CD1-CE1 4.41Å; I1652-F1702 HydrophobicContact CD1-CE2 4.15Å; I1652-F1702 HydrophobicContact CD1-CZ 4.15Å; I1652-F1702 HydrophobicContact CG1-CD1 3.78Å; I1652-F1702 HydrophobicContact CG1-CD2 4.3Å; I1652-F1702 HydrophobicContact CG1-CE1 3.35Å; I1652-F1702 HydrophobicContact CG1-CE2 3.87Å; I1652-F1702 HydrophobicContact CG1-CG 4.23Å; I1652-F1702 HydrophobicContact CG1-CZ 3.38Å; Y1655-F1702 HydrophobicContact CD2-CE1 4.19Å; F1696-F1702 HydrophobicContact CB-CB 3.94Å; F1696-F1702 HydrophobicContact CB-CG 4.36Å; F1696-F1702 HydrophobicContact CD1-CB 3.78Å; F1696-F1702 AromaticContact CD1-CD1 3.25Å; F1696-F1702 HydrophobicContact CD1-CD1 3.25Å; F1696-F1702 HydrophobicContact CD1-CD2 4Å; F1696-F1702 AromaticContact CD1-CE1 3.7Å; F1696-F1702 HydrophobicContact CD1-CE1 3.7Å; F1696-F1702 HydrophobicContact CD1-CE2 4.43Å; F1696-F1702 AromaticContact CD1-CG 3.44Å; F1696-F1702 HydrophobicContact CD1-CG 3.44Å; F1696-F1702 VanDerWaalsContact CD1-CG 3.44Å; F1696-F1702 HydrophobicContact CD1-CZ 4.29Å; F1696-F1702 AromaticContact CE1-CD1 3.52Å; F1696-F1702 HydrophobicContact CE1-CD1 3.52Å; F1696-F1702 AromaticContact CE1-CE1 3.47Å; F1696-F1702 HydrophobicContact CE1-CE1 3.47Å; F1696-F1702 VanDerWaalsContact CE1-CE1 3.47Å; F1696-F1702 HydrophobicContact CE1-CG 4.11Å; F1696-F1702 HydrophobicContact CE1-CZ 4.05Å; F1696-F1702 HydrophobicContact CG-CB 4.32Å; F1696-F1702 HydrophobicContact CG-CD1 4.42Å; F1696-F1702 HydrophobicContact CG-CG 4.24Å; F1696-F1702 WeakPolarHBondContact O-CB 3.43Å; V1699-F1702 HydrophobicContact CB-CD2 3.77Å; V1699-F1702 HydrophobicContact CB-CE2 4.46Å; V1699-F1702 HydrophobicContact CG1-CD2 4.34Å; V1699-F1702 HydrophobicContact CG2-CD2 4.17Å; V1699-F1702 HydrophobicContact CG2-CE2 4.5Å; V1699-F1702 WeakPolarHBondContact O-CB 3.44Å; V1699-F1702 PolarHBondContact O-N 3.17Å; E1700-F1702 VanDerWaalsContact C-N 3.3Å; E1700-F1702 PolarHBondContact O-N 3.32Å; F1702-N1704 VanDerWaalsContact C-N 3.3Å; F1702-N1704 PolarHBondContact O-N 3.47Å; F1702-V1705 HydrophobicContact CD1-CB 4.34Å; F1702-V1705 HydrophobicContact CD1-CG2 4.29Å; F1702-V1705 WeakPolarHBondContact O-CB 3.41Å; F1702-V1705 PolarHBondContact O-N 3.48Å; F1702-V1705 VanDerWaalsContact O-N 3.17Å; F1702-K1706 PolarHBondContact O-N 3.39Å |
| 1703 | A | 73.5 | Confident | 76.4 | Confident | 50 Ų | 50 | 60 Ų | 60 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1700 E1701 V1705 K1706 H1707 | E1700-A1703 VanDerWaalsContact O-CB 3.28Å; E1700-A1703 WeakPolarHBondContact O-CB 3.25Å; E1700-A1703 PolarHBondContact O-N 2.83Å; E1700-A1703 VanDerWaalsContact O-N 3.13Å; E1701-A1703 VanDerWaalsContact C-N 3.3Å; E1701-A1703 PolarHBondContact O-N 3.13Å; A1703-V1705 VanDerWaalsContact C-N 3.31Å; A1703-V1705 PolarHBondContact O-N 3.42Å; A1703-K1706 PolarHBondContact O-N 3.49Å; A1703-H1707 PolarHBondContact O-N 2.92Å |
| 1704 | N | 75.5 | Confident | 76.8 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 58% | 0.583 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -66.4 | -35.2 | 174.5 | -69.8 | -33.5 | 0 | 0 | 0 | 111.9 | E1701 F1702 S1708 | E1701-N1704 PolarHBondContact O-N 3.13Å; F1702-N1704 VanDerWaalsContact C-N 3.3Å; F1702-N1704 PolarHBondContact O-N 3.47Å; N1704-S1708 WeakPolarHBondContact O-CB 3.32Å; N1704-S1708 PolarHBondContact O-N 3.47Å; N1704-S1708 PolarHBondContact O-OG 2.92Å |
| 1705 | V | 77.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | Y1655 K1656 E1701 F1702 A1703 H1707 S1708 I1709 | Y1655-V1705 HydrophobicContact CD1-CG1 3.93Å; Y1655-V1705 HydrophobicContact CG-CG1 3.91Å; K1656-V1705 HydrophobicContact CG-CG2 4.21Å; E1701-V1705 PolarHBondContact O-N 3.43Å; F1702-V1705 HydrophobicContact CD1-CB 4.34Å; F1702-V1705 HydrophobicContact CD1-CG2 4.29Å; F1702-V1705 WeakPolarHBondContact O-CB 3.41Å; F1702-V1705 PolarHBondContact O-N 3.48Å; F1702-V1705 VanDerWaalsContact O-N 3.17Å; A1703-V1705 VanDerWaalsContact C-N 3.31Å; A1703-V1705 PolarHBondContact O-N 3.42Å; V1705-H1707 VanDerWaalsContact C-N 3.28Å; V1705-H1707 PolarHBondContact O-N 3.41Å; V1705-S1708 WeakPolarHBondContact O-CA 3Å; V1705-S1708 WeakPolarHBondContact O-CB 3.46Å; V1705-S1708 PolarHBondContact O-N 3.24Å; V1705-I1709 HydrophobicContact CG1-CD1 3.86Å; V1705-I1709 HydrophobicContact CG1-CG1 4.3Å; V1705-I1709 WeakPolarHBondContact O-CG1 3.26Å; V1705-I1709 PolarHBondContact O-N 3.11Å |
| 1706 | K | 81.9 | Confident | 77.9 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55 | -43.5 | 174.9 | -81.5 | -174 | 159.5 | 173.3 | 0 | 111.7 | L1691 D1693 F1696 E1697 F1702 A1703 S1708 I1709 N1710 | L1691-K1706 HydrophobicContact CD2-CB 3.89Å; L1691-K1706 HydrophobicContact CD2-CG 3.96Å; L1691-K1706 WeakPolarHBondContact CD2-O 3.36Å; L1691-K1706 WeakPolarHBondContact O-CE 3.3Å; D1693-K1706 WeakPolarHBondContact O-CE 3.23Å; D1693-K1706 PolarHBondContact O-NZ 3.35Å; F1696-K1706 HydrophobicContact CB-CD 4.18Å; F1696-K1706 HydrophobicContact CB-CG 4.41Å; E1697-K1706 VanDerWaalsContact CG-NZ 3.26Å; E1697-K1706 IonicContact OE1-NZ 3.49Å; E1697-K1706 PolarHBondContact OE1-NZ 3.28Å; E1697-K1706 VanDerWaalsContact OE1-NZ 3.16Å; F1702-K1706 PolarHBondContact O-N 3.39Å; A1703-K1706 PolarHBondContact O-N 3.49Å; K1706-S1708 PolarHBondContact O-N 3.19Å; K1706-I1709 PolarHBondContact O-N 3.11Å; K1706-N1710 WeakPolarHBondContact O-CB 3.26Å; K1706-N1710 PolarHBondContact O-N 3.22Å |
| 1707 | H | 81 | Confident | 78.6 | Confident | 130 Ų | 130 | 56.6 Ų | 56.6 | 60% | 0.602 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 175.6 | -170.5 | 75.2 | 0 | 0 | 0 | 112.2 | A1703 V1705 N1710 M1711 | A1703-H1707 PolarHBondContact O-N 2.92Å; V1705-H1707 VanDerWaalsContact C-N 3.28Å; V1705-H1707 PolarHBondContact O-N 3.41Å; H1707-N1710 PolarHBondContact O-N 3.47Å; H1707-M1711 WeakPolarHBondContact O-CB 3.27Å; H1707-M1711 PolarHBondContact O-N 3.26Å |
| 1708 | S | 79.9 | Confident | 79.4 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 178.4 | -59 | 0 | 0 | 0 | 0 | 112.1 | N1704 V1705 K1706 M1711 Y1712 | N1704-S1708 WeakPolarHBondContact O-CB 3.32Å; N1704-S1708 PolarHBondContact O-N 3.47Å; N1704-S1708 PolarHBondContact O-OG 2.92Å; V1705-S1708 WeakPolarHBondContact O-CA 3Å; V1705-S1708 WeakPolarHBondContact O-CB 3.46Å; V1705-S1708 PolarHBondContact O-N 3.24Å; K1706-S1708 PolarHBondContact O-N 3.19Å; S1708-M1711 PolarHBondContact O-N 3.4Å; S1708-Y1712 WeakPolarHBondContact O-CB 3.22Å; S1708-Y1712 PolarHBondContact O-N 3.1Å |
| 1709 | I | 85.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 174.5 | -68.1 | 171.8 | 0 | 0 | 0 | 110.3 | Y1655 L1687 T1690 L1691 V1705 K1706 M1711 Y1712 V1713 | Y1655-I1709 HydrophobicContact CD1-CD1 4.19Å; Y1655-I1709 HydrophobicContact CE1-CD1 4.34Å; L1687-I1709 HydrophobicContact CB-CG2 3.83Å; L1687-I1709 HydrophobicContact CD2-CD1 4.37Å; L1687-I1709 HydrophobicContact CD2-CG1 4.17Å; L1687-I1709 HydrophobicContact CD2-CG2 3.97Å; L1687-I1709 HydrophobicContact CG-CG2 4.39Å; T1690-I1709 HydrophobicContact CG2-CD1 3.85Å; L1691-I1709 HydrophobicContact CD1-CG2 4.04Å; L1691-I1709 HydrophobicContact CD2-CB 3.99Å; L1691-I1709 HydrophobicContact CD2-CG2 3.88Å; L1691-I1709 HydrophobicContact CG-CB 4.46Å; L1691-I1709 HydrophobicContact CG-CG2 3.79Å; V1705-I1709 HydrophobicContact CG1-CD1 3.86Å; V1705-I1709 HydrophobicContact CG1-CG1 4.3Å; V1705-I1709 WeakPolarHBondContact O-CG1 3.26Å; V1705-I1709 PolarHBondContact O-N 3.11Å; K1706-I1709 PolarHBondContact O-N 3.11Å; I1709-M1711 VanDerWaalsContact C-N 3.32Å; I1709-M1711 PolarHBondContact O-N 3.12Å; I1709-Y1712 WeakPolarHBondContact O-CB 3.35Å; I1709-Y1712 PolarHBondContact O-N 2.73Å; I1709-Y1712 VanDerWaalsContact O-N 3.14Å; I1709-V1713 HydrophobicContact CG2-CG2 4.44Å; I1709-V1713 WeakPolarHBondContact O-CG2 3.34Å; I1709-V1713 PolarHBondContact O-N 3.44Å |
| 1710 | N | 85.9 | Confident | 81.1 | Confident | 79 Ų | 79 | 50.5 Ų | 50.5 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 179 | -171.6 | 44.1 | 0 | 0 | 0 | 111.7 | L1691 K1706 H1707 Y1712 M1714 | L1691-N1710 HydrophobicContact CD1-CB 4.31Å; K1706-N1710 WeakPolarHBondContact O-CB 3.26Å; K1706-N1710 PolarHBondContact O-N 3.22Å; H1707-N1710 PolarHBondContact O-N 3.47Å; N1710-Y1712 VanDerWaalsContact C-N 3.34Å; N1710-Y1712 PolarHBondContact O-N 2.92Å; N1710-M1714 WeakPolarHBondContact O-CG 3.34Å; N1710-M1714 PolarHBondContact O-N 3.16Å; N1710-M1714 VanDerWaalsContact O-N 3.13Å |
| 1711 | M | 83.2 | Confident | 81.8 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 173.8 | -176 | -166.8 | 59.9 | 0 | 0 | 111.6 | L1663 H1707 S1708 I1709 M1714 K1715 | L1663-M1711 HydrophobicContact CD1-CE 4.46Å; L1663-M1711 HydrophobicContact CD2-CE 3.82Å; H1707-M1711 WeakPolarHBondContact O-CB 3.27Å; H1707-M1711 PolarHBondContact O-N 3.26Å; S1708-M1711 PolarHBondContact O-N 3.4Å; I1709-M1711 VanDerWaalsContact C-N 3.32Å; I1709-M1711 PolarHBondContact O-N 3.12Å; M1711-M1714 PolarHBondContact O-N 3.01Å; M1711-K1715 HydrophobicContact CG-CD 4.32Å; M1711-K1715 WeakPolarHBondContact O-CG 3.33Å; M1711-K1715 PolarHBondContact O-N 3.4Å |
| 1712 | Y | 82.7 | Confident | 82.8 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -50.8 | 178.1 | 168.4 | -102.6 | 0 | 0 | 0 | 111.8 | L1662 V1666 L1683 L1687 S1708 I1709 N1710 M1714 K1715 L1716 | L1662-Y1712 VanDerWaalsContact C-CE2 3.48Å; L1662-Y1712 HydrophobicContact CB-CD2 3.77Å; L1662-Y1712 HydrophobicContact CB-CE1 4.26Å; L1662-Y1712 HydrophobicContact CB-CE2 3.39Å; L1662-Y1712 HydrophobicContact CB-CG 4.35Å; L1662-Y1712 HydrophobicContact CD1-CD1 4.28Å; L1662-Y1712 HydrophobicContact CD1-CE1 3.83Å; L1662-Y1712 HydrophobicContact CD1-CE2 4.46Å; L1662-Y1712 HydrophobicContact CG-CE2 4.37Å; L1662-Y1712 VanDerWaalsContact O-CE2 3.32Å; L1662-Y1712 WeakPolarHBondContact O-CE2 3.4Å; V1666-Y1712 HydrophobicContact CB-CE2 4.21Å; V1666-Y1712 HydrophobicContact CG2-CD2 4.29Å; V1666-Y1712 HydrophobicContact CG2-CE2 3.38Å; L1683-Y1712 HydrophobicContact CD2-CE1 4.5Å; L1687-Y1712 HydrophobicContact CD1-CD1 3.51Å; L1687-Y1712 HydrophobicContact CD1-CE1 3.38Å; S1708-Y1712 WeakPolarHBondContact O-CB 3.22Å; S1708-Y1712 PolarHBondContact O-N 3.1Å; I1709-Y1712 WeakPolarHBondContact O-CB 3.35Å; I1709-Y1712 PolarHBondContact O-N 2.73Å; I1709-Y1712 VanDerWaalsContact O-N 3.14Å; N1710-Y1712 VanDerWaalsContact C-N 3.34Å; N1710-Y1712 PolarHBondContact O-N 2.92Å; Y1712-M1714 PolarHBondContact O-N 2.71Å; Y1712-K1715 PolarHBondContact O-N 3.38Å; Y1712-L1716 HydrophobicContact CE1-CD1 3.7Å; Y1712-L1716 HydrophobicContact CE2-CB 4.48Å; Y1712-L1716 HydrophobicContact CE2-CD1 4.38Å; Y1712-L1716 WeakPolarHBondContact O-CB 3.29Å; Y1712-L1716 PolarHBondContact O-N 2.94Å; Y1712-L1716 VanDerWaalsContact OH-CD1 3.3Å; Y1712-L1716 WeakPolarHBondContact OH-CD1 3.41Å |
| 1713 | V | 87.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.7 | -42.2 | 178 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | L1687 L1688 I1709 K1715 L1716 I1717 | L1687-V1713 HydrophobicContact CB-CG2 4.37Å; L1687-V1713 HydrophobicContact CD1-CG2 4.44Å; L1688-V1713 HydrophobicContact CD2-CG1 4.38Å; L1688-V1713 HydrophobicContact CD2-CG2 4.4Å; I1709-V1713 HydrophobicContact CG2-CG2 4.44Å; I1709-V1713 WeakPolarHBondContact O-CG2 3.34Å; I1709-V1713 PolarHBondContact O-N 3.44Å; V1713-K1715 PolarHBondContact O-N 3.1Å; V1713-L1716 PolarHBondContact O-N 3.48Å; V1713-I1717 HydrophobicContact CG1-CD1 4.03Å; V1713-I1717 VanDerWaalsContact O-CG1 3.29Å; V1713-I1717 WeakPolarHBondContact O-CG1 3.43Å; V1713-I1717 PolarHBondContact O-N 3.5Å |
| 1714 | M | 88.7 | Confident | 84.5 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 34% | 0.335 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.5 | -33.9 | 178.9 | -65.8 | -67.6 | -86.4 | 0 | 0 | 113.4 | N1710 M1711 Y1712 A1718 K1756 | N1710-M1714 WeakPolarHBondContact O-CG 3.34Å; N1710-M1714 PolarHBondContact O-N 3.16Å; N1710-M1714 VanDerWaalsContact O-N 3.13Å; M1711-M1714 PolarHBondContact O-N 3.01Å; Y1712-M1714 PolarHBondContact O-N 2.71Å; M1714-A1718 PolarHBondContact O-N 3.09Å; M1714-K1756 HydrophobicContact CE-CD 3.62Å; M1714-K1756 VanDerWaalsContact CE-CE 3.41Å; M1714-K1756 HydrophobicContact CE-CG 3.75Å; M1714-K1756 HydrophobicContact SD-CB 4.47Å; M1714-K1756 HydrophobicContact SD-CD 4.43Å; M1714-K1756 HydrophobicContact SD-CG 3.88Å |
| 1715 | K | 84 | Confident | 85.3 | Confident | 71 Ų | 71 | 34.4 Ų | 34.4 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -75.1 | -38.1 | 175.1 | -76.8 | -179.8 | 175.2 | 176.4 | 0 | 112.3 | L1663 V1666 M1711 Y1712 V1713 I1717 A1718 N1719 | L1663-K1715 HydrophobicContact CD1-CD 3.3Å; V1666-K1715 HydrophobicContact CG1-CB 4.12Å; M1711-K1715 HydrophobicContact CG-CD 4.32Å; M1711-K1715 WeakPolarHBondContact O-CG 3.33Å; M1711-K1715 PolarHBondContact O-N 3.4Å; Y1712-K1715 PolarHBondContact O-N 3.38Å; V1713-K1715 PolarHBondContact O-N 3.1Å; K1715-I1717 VanDerWaalsContact C-N 3.35Å; K1715-I1717 PolarHBondContact O-N 3.44Å; K1715-A1718 PolarHBondContact O-N 3.3Å; K1715-A1718 VanDerWaalsContact O-N 3.1Å; K1715-N1719 WeakPolarHBondContact O-CB 3.3Å; K1715-N1719 PolarHBondContact O-N 3.17Å |
| 1716 | L | 85.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 173.9 | 178.2 | 158 | 0 | 0 | 0 | 110.6 | V1666 L1680 V1684 Y1712 V1713 A1718 N1719 C1720 | V1666-L1716 HydrophobicContact CG2-CB 4.22Å; L1680-L1716 HydrophobicContact CD1-CD1 3.55Å; L1680-L1716 HydrophobicContact CD1-CD2 3.91Å; L1680-L1716 HydrophobicContact CD1-CG 3.96Å; L1680-L1716 HydrophobicContact CD2-CD2 4.23Å; L1680-L1716 HydrophobicContact CG-CD2 4.26Å; V1684-L1716 HydrophobicContact CG2-CD1 3.95Å; V1684-L1716 HydrophobicContact CG2-CD2 4.04Å; Y1712-L1716 HydrophobicContact CE1-CD1 3.7Å; Y1712-L1716 HydrophobicContact CE2-CB 4.48Å; Y1712-L1716 HydrophobicContact CE2-CD1 4.38Å; Y1712-L1716 WeakPolarHBondContact O-CB 3.29Å; Y1712-L1716 PolarHBondContact O-N 2.94Å; Y1712-L1716 VanDerWaalsContact OH-CD1 3.3Å; Y1712-L1716 WeakPolarHBondContact OH-CD1 3.41Å; V1713-L1716 PolarHBondContact O-N 3.48Å; L1716-A1718 PolarHBondContact O-N 3.02Å; L1716-N1719 PolarHBondContact O-N 3.4Å; L1716-C1720 HydrophobicContact CD2-CB 4.45Å; L1716-C1720 HydrophobicContact CG-CB 4.47Å; L1716-C1720 WeakPolarHBondContact O-CB 3.47Å; L1716-C1720 PolarHBondContact O-N 2.94Å |
| 1717 | I | 86.1 | Confident | 86.7 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.7 | -30.1 | 176.7 | -67.2 | 165.2 | 0 | 0 | 0 | 112 | V1713 K1715 C1753 K1756 W1757 | V1713-I1717 HydrophobicContact CG1-CD1 4.03Å; V1713-I1717 VanDerWaalsContact O-CG1 3.29Å; V1713-I1717 WeakPolarHBondContact O-CG1 3.43Å; V1713-I1717 PolarHBondContact O-N 3.5Å; K1715-I1717 VanDerWaalsContact C-N 3.35Å; K1715-I1717 PolarHBondContact O-N 3.44Å; I1717-C1753 HydrophobicContact CD1-CB 3.72Å; I1717-K1756 HydrophobicContact CG2-CG 4.39Å; I1717-W1757 HydrophobicContact CG2-CB 3.89Å |
| 1718 | A | 82.7 | Confident | 87.3 | Confident | 65 Ų | 65 | 27 Ų | 27 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -82.7 | -33.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1714 K1715 L1716 | M1714-A1718 PolarHBondContact O-N 3.09Å; K1715-A1718 PolarHBondContact O-N 3.3Å; K1715-A1718 VanDerWaalsContact O-N 3.1Å; L1716-A1718 PolarHBondContact O-N 3.02Å |
| 1719 | N | 81.8 | Confident | 88.1 | Confident | 75 Ų | 75 | 25.1 Ų | 25.1 | 40% | 0.401 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -113.1 | -19.7 | -168.5 | -67.9 | -0.7 | 0 | 0 | 0 | 114.6 | V1666 K1715 L1716 | V1666-N1719 HydrophobicContact CG1-CB 3.94Å; V1666-N1719 PolarHBondContact O-ND2 3.19Å; K1715-N1719 WeakPolarHBondContact O-CB 3.3Å; K1715-N1719 PolarHBondContact O-N 3.17Å; L1716-N1719 PolarHBondContact O-N 3.4Å |
| 1720 | C | 83.6 | Confident | 88.5 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -71.3 | 159.2 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | M1672 L1716 P1722 C1725 | M1672-C1720 HydrophobicContact CE-CB 4.3Å; L1716-C1720 HydrophobicContact CD2-CB 4.45Å; L1716-C1720 HydrophobicContact CG-CB 4.47Å; L1716-C1720 WeakPolarHBondContact O-CB 3.47Å; L1716-C1720 PolarHBondContact O-N 2.94Å; C1720-P1722 VanDerWaalsContact O-CD 3.28Å; C1720-P1722 WeakPolarHBondContact O-CD 3.45Å; C1720-C1725 HydrophobicContact CB-CB 4.42Å |
| 1721 | N | 87.1 | Confident | 88.9 | Confident | 41 Ų | 41 | 25 Ų | 25 | 22% | 0.219 | 13% | 0.132 | C | C | . | . | trans | -49.7 | 117.2 | 171.8 | -177.5 | -56 | 0 | 0 | 0 | 109.6 | T1723 I1724 C1725 | N1721-T1723 PolarHBondContact O-N 3.36Å; N1721-T1723 VanDerWaalsContact O-N 3.15Å; N1721-T1723 WeakPolarHBondContact OD1-CB 3.3Å; N1721-T1723 PolarHBondContact OD1-N 3.23Å; N1721-I1724 HydrophobicContact CB-CB 4.07Å; N1721-I1724 HydrophobicContact CB-CD1 3.8Å; N1721-I1724 HydrophobicContact CB-CG1 3.88Å; N1721-I1724 PolarHBondContact O-N 3.21Å; N1721-I1724 VanDerWaalsContact O-N 3.12Å; N1721-I1724 PolarHBondContact OD1-N 3.25Å; N1721-C1725 WeakPolarHBondContact O-CB 3.15Å; N1721-C1725 PolarHBondContact O-N 3.05Å | ||
| 1722 | P | 90.7 | Very high | 89.4 | Confident | 17 Ų | 17 | 22.1 Ų | 22.1 | 11% | 0.11 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.2 | -29.3 | -169.1 | -24.3 | 32.6 | 0 | 0 | 0 | 113.9 | C1720 I1726 W1757 F1764 L1768 | C1720-P1722 VanDerWaalsContact O-CD 3.28Å; C1720-P1722 WeakPolarHBondContact O-CD 3.45Å; P1722-I1726 WeakPolarHBondContact O-CG2 3.43Å; P1722-I1726 PolarHBondContact O-N 3.27Å; P1722-W1757 PolarHBondContact O-NE1 3.2Å; P1722-F1764 HydrophobicContact CB-CB 4.45Å; P1722-F1764 HydrophobicContact CB-CD1 4.17Å; P1722-F1764 HydrophobicContact CB-CD2 3.31Å; P1722-F1764 HydrophobicContact CB-CE1 4.23Å; P1722-F1764 HydrophobicContact CB-CE2 3.43Å; P1722-F1764 VanDerWaalsContact CB-CE2 3.43Å; P1722-F1764 HydrophobicContact CB-CG 3.73Å; P1722-F1764 HydrophobicContact CB-CZ 3.9Å; P1722-F1764 HydrophobicContact CG-CB 3.83Å; P1722-F1764 HydrophobicContact CG-CD1 3.95Å; P1722-F1764 HydrophobicContact CG-CD2 3.66Å; P1722-F1764 HydrophobicContact CG-CE1 4.42Å; P1722-F1764 HydrophobicContact CG-CE2 4.21Å; P1722-F1764 HydrophobicContact CG-CG 3.54Å; P1722-L1768 HydrophobicContact CB-CD2 3.82Å |
| 1723 | T | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.8 | -50.3 | 175.7 | -54 | 0 | 0 | 0 | 0 | 110.4 | N1721 C1725 I1726 V1727 L1768 E1769 | N1721-T1723 PolarHBondContact O-N 3.36Å; N1721-T1723 VanDerWaalsContact O-N 3.15Å; N1721-T1723 WeakPolarHBondContact OD1-CB 3.3Å; N1721-T1723 PolarHBondContact OD1-N 3.23Å; T1723-C1725 VanDerWaalsContact C-N 3.33Å; T1723-C1725 PolarHBondContact O-N 3.5Å; T1723-I1726 VanDerWaalsContact O-CG2 3.3Å; T1723-I1726 WeakPolarHBondContact O-CG2 3.38Å; T1723-I1726 PolarHBondContact O-N 3.16Å; T1723-V1727 HydrophobicContact CG2-CG2 4.49Å; T1723-V1727 WeakPolarHBondContact O-CB 3.35Å; T1723-V1727 VanDerWaalsContact O-CG2 3.23Å; T1723-V1727 WeakPolarHBondContact O-CG2 3.47Å; T1723-V1727 PolarHBondContact O-N 2.87Å; T1723-L1768 WeakPolarHBondContact OG1-CA 3.34Å; T1723-E1769 HydrophobicContact CG2-CB 3.68Å; T1723-E1769 HydrophobicContact CG2-CG 4.02Å; T1723-E1769 PolarHBondContact OG1-N 2.93Å |
| 1724 | I | 91 | Very high | 90.2 | Very high | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.087 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | -179.4 | -60.3 | -177.8 | 0 | 0 | 0 | 109.9 | A1675 D1677 L1680 N1721 I1726 V1727 A1728 | A1675-I1724 VanDerWaalsContact O-CD1 3.31Å; A1675-I1724 WeakPolarHBondContact O-CD1 3.45Å; D1677-I1724 HydrophobicContact CB-CG2 3.94Å; L1680-I1724 HydrophobicContact CD2-CG2 4.14Å; N1721-I1724 HydrophobicContact CB-CB 4.07Å; N1721-I1724 HydrophobicContact CB-CD1 3.8Å; N1721-I1724 HydrophobicContact CB-CG1 3.88Å; N1721-I1724 PolarHBondContact O-N 3.21Å; N1721-I1724 VanDerWaalsContact O-N 3.12Å; N1721-I1724 PolarHBondContact OD1-N 3.25Å; I1724-I1726 PolarHBondContact O-N 3.29Å; I1724-V1727 PolarHBondContact O-N 3.21Å; I1724-A1728 WeakPolarHBondContact O-CB 3.3Å; I1724-A1728 PolarHBondContact O-N 3.44Å |
| 1725 | C | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 179.4 | -176 | 0 | 0 | 0 | 0 | 112.7 | L1680 C1720 N1721 T1723 L1729 | L1680-C1725 HydrophobicContact CD2-CB 4.25Å; C1720-C1725 HydrophobicContact CB-CB 4.42Å; N1721-C1725 WeakPolarHBondContact O-CB 3.15Å; N1721-C1725 PolarHBondContact O-N 3.05Å; T1723-C1725 VanDerWaalsContact C-N 3.33Å; T1723-C1725 PolarHBondContact O-N 3.5Å; C1725-L1729 VanDerWaalsContact O-CG 3.26Å; C1725-L1729 WeakPolarHBondContact O-CG 3.5Å; C1725-L1729 PolarHBondContact O-N 2.81Å |
| 1726 | I | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.7 | -34.1 | -179 | -167.5 | 56.6 | 0 | 0 | 0 | 112.7 | P1722 T1723 I1724 L1729 L1730 I1754 W1757 L1773 I1805 | P1722-I1726 WeakPolarHBondContact O-CG2 3.43Å; P1722-I1726 PolarHBondContact O-N 3.27Å; T1723-I1726 VanDerWaalsContact O-CG2 3.3Å; T1723-I1726 WeakPolarHBondContact O-CG2 3.38Å; T1723-I1726 PolarHBondContact O-N 3.16Å; I1724-I1726 PolarHBondContact O-N 3.29Å; I1726-L1729 HydrophobicContact CD1-CB 4.47Å; I1726-L1729 PolarHBondContact O-N 2.73Å; I1726-L1730 HydrophobicContact CD1-CG 4.33Å; I1726-L1730 HydrophobicContact CG1-CD1 4.18Å; I1726-L1730 HydrophobicContact CG1-CG 4.27Å; I1726-L1730 WeakPolarHBondContact O-CB 3.3Å; I1726-L1730 VanDerWaalsContact O-CG 3.3Å; I1726-L1730 WeakPolarHBondContact O-CG 3.32Å; I1726-L1730 PolarHBondContact O-N 3.48Å; I1726-I1754 HydrophobicContact CD1-CG1 4.49Å; I1726-I1754 HydrophobicContact CD1-CG2 4.28Å; I1726-W1757 HydrophobicContact CB-CD2 3.89Å; I1726-W1757 VanDerWaalsContact CB-CE2 3.48Å; I1726-W1757 HydrophobicContact CB-CE3 4.28Å; I1726-W1757 HydrophobicContact CB-CG 4.44Å; I1726-W1757 HydrophobicContact CB-CH2 3.97Å; I1726-W1757 HydrophobicContact CB-CZ2 3.52Å; I1726-W1757 HydrophobicContact CB-CZ3 4.33Å; I1726-W1757 HydrophobicContact CD1-CD2 3.7Å; I1726-W1757 HydrophobicContact CD1-CE3 3.54Å; I1726-W1757 HydrophobicContact CD1-CG 4.15Å; I1726-W1757 HydrophobicContact CD1-CH2 4.47Å; I1726-W1757 HydrophobicContact CD1-CZ3 3.96Å; I1726-W1757 HydrophobicContact CG1-CD2 3.92Å; I1726-W1757 HydrophobicContact CG1-CE3 3.8Å; I1726-W1757 HydrophobicContact CG1-CH2 3.8Å; I1726-W1757 HydrophobicContact CG1-CZ2 3.88Å; I1726-W1757 HydrophobicContact CG1-CZ3 3.75Å; I1726-W1757 HydrophobicContact CG2-CH2 3.98Å; I1726-W1757 HydrophobicContact CG2-CZ2 3.52Å; I1726-L1773 HydrophobicContact CB-CD1 4.46Å; I1726-L1773 HydrophobicContact CG1-CD1 4.04Å; I1726-L1773 HydrophobicContact CG2-CD1 3.55Å; I1726-L1773 HydrophobicContact CG2-CD2 4.48Å; I1726-I1805 HydrophobicContact CD1-CD1 4.09Å |
| 1727 | V | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | D1677 T1723 I1724 L1729 L1730 R1731 R1772 E1776 | D1677-V1727 HydrophobicContact CB-CB 4.37Å; D1677-V1727 HydrophobicContact CB-CG1 3.98Å; D1677-V1727 VanDerWaalsContact OD2-CG1 3.3Å; D1677-V1727 WeakPolarHBondContact OD2-CG1 3.27Å; T1723-V1727 HydrophobicContact CG2-CG2 4.49Å; T1723-V1727 WeakPolarHBondContact O-CB 3.35Å; T1723-V1727 VanDerWaalsContact O-CG2 3.23Å; T1723-V1727 WeakPolarHBondContact O-CG2 3.47Å; T1723-V1727 PolarHBondContact O-N 2.87Å; I1724-V1727 PolarHBondContact O-N 3.21Å; V1727-L1729 PolarHBondContact O-N 3.29Å; V1727-L1730 PolarHBondContact O-N 3.46Å; V1727-R1731 WeakPolarHBondContact O-CG 3.26Å; V1727-R1731 PolarHBondContact O-N 3.41Å; V1727-R1772 HydrophobicContact CG2-CG 4.04Å; V1727-E1776 HydrophobicContact CG1-CG 4.35Å |
| 1728 | A | 94.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1677 L1680 K1681 I1724 L1730 R1731 L1732 | D1677-A1728 HydrophobicContact CB-CB 4.41Å; D1677-A1728 WeakPolarHBondContact O-CB 3.33Å; L1680-A1728 HydrophobicContact CB-CB 4.13Å; L1680-A1728 HydrophobicContact CD2-CB 4.16Å; L1680-A1728 HydrophobicContact CG-CB 4.37Å; K1681-A1728 HydrophobicContact CB-CB 3.96Å; I1724-A1728 WeakPolarHBondContact O-CB 3.3Å; I1724-A1728 PolarHBondContact O-N 3.44Å; A1728-L1730 PolarHBondContact O-N 2.6Å; A1728-R1731 PolarHBondContact O-N 2.85Å; A1728-L1732 WeakPolarHBondContact O-CB 3.49Å; A1728-L1732 PolarHBondContact O-N 3.43Å |
| 1729 | L | 96.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 179 | -70.3 | 173.4 | 0 | 0 | 0 | 113.2 | V1684 C1725 I1726 V1727 L1732 L1733 C1753 I1754 W1757 | V1684-L1729 HydrophobicContact CG1-CD2 4.18Å; C1725-L1729 VanDerWaalsContact O-CG 3.26Å; C1725-L1729 WeakPolarHBondContact O-CG 3.5Å; C1725-L1729 PolarHBondContact O-N 2.81Å; I1726-L1729 HydrophobicContact CD1-CB 4.47Å; I1726-L1729 PolarHBondContact O-N 2.73Å; V1727-L1729 PolarHBondContact O-N 3.29Å; L1729-L1732 PolarHBondContact O-N 2.96Å; L1729-L1733 WeakPolarHBondContact O-CB 3.29Å; L1729-L1733 PolarHBondContact O-N 3.01Å; L1729-C1753 HydrophobicContact CD1-CB 4.18Å; L1729-C1753 HydrophobicContact CD2-CB 3.75Å; L1729-I1754 HydrophobicContact CB-CD1 4.39Å; L1729-I1754 HydrophobicContact CB-CG1 3.8Å; L1729-I1754 HydrophobicContact CD1-CG1 4.26Å; L1729-W1757 HydrophobicContact CD1-CB 4.49Å |
| 1730 | L | 94.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.6 | -33.8 | 176 | -73.9 | 175.9 | 0 | 0 | 0 | 112 | I1726 V1727 A1728 L1733 R1734 I1754 L1773 E1776 V1802 I1805 | I1726-L1730 HydrophobicContact CD1-CG 4.33Å; I1726-L1730 HydrophobicContact CG1-CD1 4.18Å; I1726-L1730 HydrophobicContact CG1-CG 4.27Å; I1726-L1730 WeakPolarHBondContact O-CB 3.3Å; I1726-L1730 VanDerWaalsContact O-CG 3.3Å; I1726-L1730 WeakPolarHBondContact O-CG 3.32Å; I1726-L1730 PolarHBondContact O-N 3.48Å; V1727-L1730 PolarHBondContact O-N 3.46Å; A1728-L1730 PolarHBondContact O-N 2.6Å; L1730-L1733 HydrophobicContact CD2-CD2 4.5Å; L1730-R1734 WeakPolarHBondContact O-CG 3.48Å; L1730-R1734 PolarHBondContact O-N 3.31Å; L1730-R1734 PolarHBondContact O-NH1 2.98Å; L1730-I1754 HydrophobicContact CD2-CD1 4.46Å; L1730-L1773 HydrophobicContact CD1-CD1 3.96Å; L1730-E1776 HydrophobicContact CB-CG 3.78Å; L1730-E1776 HydrophobicContact CD1-CB 4.19Å; L1730-E1776 HydrophobicContact CD1-CG 4.01Å; L1730-V1802 HydrophobicContact CD2-CG2 3.87Å; L1730-I1805 HydrophobicContact CD2-CD1 3.99Å |
| 1731 | R | 95.3 | Very high | 88.9 | Confident | 75 Ų | 75 | 37.5 Ų | 37.5 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -48.6 | 171.3 | -73.6 | -176.5 | -178.7 | 172.8 | 10.1 | 111.5 | D1677 K1681 V1727 A1728 L1733 R1734 E1735 E1776 | D1677-R1731 IonicContact OD2-CZ 3.21Å; D1677-R1731 IonicContact OD2-NE 3.53Å; D1677-R1731 IonicContact OD2-NH1 2.73Å; D1677-R1731 PolarHBondContact OD2-NH1 2.98Å; D1677-R1731 IonicContact OD2-NH2 2.77Å; D1677-R1731 PolarHBondContact OD2-NH2 2.83Å; K1681-R1731 HydrophobicContact CD-CB 3.96Å; K1681-R1731 HydrophobicContact CG-CB 4.12Å; V1727-R1731 WeakPolarHBondContact O-CG 3.26Å; V1727-R1731 PolarHBondContact O-N 3.41Å; A1728-R1731 PolarHBondContact O-N 2.85Å; R1731-L1733 PolarHBondContact O-N 3.19Å; R1731-R1734 PolarHBondContact O-N 3.27Å; R1731-E1735 PolarHBondContact O-N 3Å; R1731-E1776 WeakPolarHBondContact CG-OE1 3.45Å; R1731-E1776 IonicContact CZ-OE2 3.44Å; R1731-E1776 IonicContact NE-OE1 2.96Å; R1731-E1776 PolarHBondContact NE-OE1 3.2Å; R1731-E1776 IonicContact NE-OE2 2.66Å; R1731-E1776 PolarHBondContact NE-OE2 3.36Å; R1731-E1776 IonicContact NH2-OE2 2.87Å; R1731-E1776 PolarHBondContact NH2-OE2 3.24Å |
| 1732 | L | 93.7 | Very high | 87.8 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 176.7 | -173 | 62.2 | 0 | 0 | 0 | 111.5 | K1681 V1684 L1688 A1728 L1729 R1734 E1735 T1736 V1750 | K1681-L1732 HydrophobicContact CG-CB 3.93Å; K1681-L1732 HydrophobicContact CG-CD1 4.46Å; V1684-L1732 HydrophobicContact CG1-CD2 4.23Å; L1688-L1732 HydrophobicContact CD1-CD2 4.24Å; A1728-L1732 WeakPolarHBondContact O-CB 3.49Å; A1728-L1732 PolarHBondContact O-N 3.43Å; L1729-L1732 PolarHBondContact O-N 2.96Å; L1732-R1734 VanDerWaalsContact C-N 3.35Å; L1732-R1734 PolarHBondContact O-N 2.83Å; L1732-E1735 PolarHBondContact O-N 3.29Å; L1732-T1736 WeakPolarHBondContact O-CB 3.26Å; L1732-T1736 PolarHBondContact O-N 3.38Å; L1732-T1736 PolarHBondContact O-OG1 3.32Å; L1732-V1750 HydrophobicContact CD2-CG2 3.8Å; L1732-V1750 HydrophobicContact CG-CG1 4.48Å; L1732-V1750 HydrophobicContact CG-CG2 3.94Å |
| 1733 | L | 94.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 173.9 | -178.9 | 63.6 | 0 | 0 | 0 | 111.9 | L1729 L1730 R1731 L1737 L1747 V1750 L1751 I1754 F1780 P1798 V1802 | L1729-L1733 WeakPolarHBondContact O-CB 3.29Å; L1729-L1733 PolarHBondContact O-N 3.01Å; L1730-L1733 HydrophobicContact CD2-CD2 4.5Å; R1731-L1733 PolarHBondContact O-N 3.19Å; L1733-L1737 HydrophobicContact CD1-CD1 4.23Å; L1733-L1737 HydrophobicContact CG-CD1 4.09Å; L1733-L1737 WeakPolarHBondContact O-CB 3.41Å; L1733-L1737 WeakPolarHBondContact O-CD1 3.2Å; L1733-L1737 WeakPolarHBondContact O-CG 3.43Å; L1733-L1737 PolarHBondContact O-N 3.45Å; L1733-L1737 VanDerWaalsContact O-N 3.13Å; L1733-L1747 HydrophobicContact CD1-CD1 3.62Å; L1733-V1750 HydrophobicContact CB-CG1 3.98Å; L1733-V1750 HydrophobicContact CD1-CG1 4.18Å; L1733-L1751 HydrophobicContact CD1-CD2 3.97Å; L1733-L1751 HydrophobicContact CD1-CG 4.38Å; L1733-I1754 HydrophobicContact CB-CD1 4.11Å; L1733-I1754 HydrophobicContact CD2-CD1 3.81Å; L1733-I1754 HydrophobicContact CG-CD1 4.41Å; L1733-F1780 HydrophobicContact CD2-CE2 3.99Å; L1733-F1780 HydrophobicContact CG-CE2 4.35Å; L1733-P1798 HydrophobicContact CD1-CB 4.18Å; L1733-P1798 HydrophobicContact CD2-CB 4.27Å; L1733-V1802 HydrophobicContact CD2-CG2 4.12Å |
| 1734 | R | 93.3 | Very high | 86.5 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 177.5 | -68 | -165 | -43.9 | -84.5 | 8.1 | 112.3 | L1730 R1731 L1732 T1736 L1737 Q1738 E1776 F1780 Q1783 F1784 | L1730-R1734 WeakPolarHBondContact O-CG 3.48Å; L1730-R1734 PolarHBondContact O-N 3.31Å; L1730-R1734 PolarHBondContact O-NH1 2.98Å; R1731-R1734 PolarHBondContact O-N 3.27Å; L1732-R1734 VanDerWaalsContact C-N 3.35Å; L1732-R1734 PolarHBondContact O-N 2.83Å; R1734-T1736 VanDerWaalsContact C-N 3.33Å; R1734-T1736 PolarHBondContact O-N 2.97Å; R1734-L1737 PolarHBondContact O-N 3.01Å; R1734-L1737 VanDerWaalsContact O-N 3.15Å; R1734-Q1738 WeakPolarHBondContact O-CG 3.44Å; R1734-Q1738 PolarHBondContact O-N 2.81Å; R1734-E1776 IonicContact CZ-OE1 2.69Å; R1734-E1776 IonicContact NH1-OE1 3.31Å; R1734-E1776 PolarHBondContact NH1-OE1 3.01Å; R1734-E1776 IonicContact NH2-OE1 3.47Å; R1734-E1776 PolarHBondContact NH2-OE1 3.37Å; R1734-F1780 HydrophobicContact CG-CD2 3.7Å; R1734-F1780 HydrophobicContact CG-CE2 4.46Å; R1734-Q1783 VanDerWaalsContact NE-OE1 3.16Å; R1734-F1784 HydrophobicContact CB-CE2 4.02Å; R1734-F1784 HydrophobicContact CG-CD2 4.41Å; R1734-F1784 HydrophobicContact CG-CE2 3.9Å |
| 1735 | E | 91.6 | Very high | 86.2 | Confident | 86 Ų | 86 | 47 Ų | 47 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 177.6 | -72.8 | 178 | -172.4 | 0 | 0 | 111.3 | K1681 R1731 L1732 L1737 Q1738 S1739 | K1681-E1735 WeakPolarHBondContact CD-OE1 3.4Å; K1681-E1735 IonicContact NZ-OE1 3.21Å; K1681-E1735 PolarHBondContact NZ-OE1 3.01Å; K1681-E1735 IonicContact NZ-OE2 3.15Å; K1681-E1735 PolarHBondContact NZ-OE2 3.44Å; R1731-E1735 PolarHBondContact O-N 3Å; L1732-E1735 PolarHBondContact O-N 3.29Å; E1735-L1737 VanDerWaalsContact C-N 3.26Å; E1735-L1737 PolarHBondContact O-N 3.12Å; E1735-Q1738 PolarHBondContact O-N 3.06Å; E1735-S1739 WeakPolarHBondContact O-CB 3.47Å; E1735-S1739 PolarHBondContact O-N 2.98Å |
| 1736 | T | 89.1 | Confident | 86.1 | Confident | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63 | -33.4 | 177.3 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | L1732 R1734 S1742 L1746 L1747 | L1732-T1736 WeakPolarHBondContact O-CB 3.26Å; L1732-T1736 PolarHBondContact O-N 3.38Å; L1732-T1736 PolarHBondContact O-OG1 3.32Å; R1734-T1736 VanDerWaalsContact C-N 3.33Å; R1734-T1736 PolarHBondContact O-N 2.97Å; T1736-S1742 WeakPolarHBondContact O-CB 3.19Å; T1736-S1742 PolarHBondContact O-OG 3.04Å; T1736-L1746 HydrophobicContact CG2-CD2 4.27Å; T1736-L1746 HydrophobicContact CG2-CG 4.19Å; T1736-L1747 HydrophobicContact CG2-CB 4.03Å; T1736-L1747 HydrophobicContact CG2-CD1 4.27Å |
| 1737 | L | 87.9 | Confident | 85.8 | Confident | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.5 | -28.2 | 177.1 | -72.1 | 168.3 | 0 | 0 | 0 | 113.8 | L1733 R1734 E1735 L1747 F1780 F1784 W1789 V1794 P1798 | L1733-L1737 HydrophobicContact CD1-CD1 4.23Å; L1733-L1737 HydrophobicContact CG-CD1 4.09Å; L1733-L1737 WeakPolarHBondContact O-CB 3.41Å; L1733-L1737 WeakPolarHBondContact O-CD1 3.2Å; L1733-L1737 WeakPolarHBondContact O-CG 3.43Å; L1733-L1737 PolarHBondContact O-N 3.45Å; L1733-L1737 VanDerWaalsContact O-N 3.13Å; R1734-L1737 PolarHBondContact O-N 3.01Å; R1734-L1737 VanDerWaalsContact O-N 3.15Å; E1735-L1737 VanDerWaalsContact C-N 3.26Å; E1735-L1737 PolarHBondContact O-N 3.12Å; L1737-L1747 HydrophobicContact CD2-CD1 3.97Å; L1737-L1747 HydrophobicContact CD2-CD2 4.13Å; L1737-L1747 HydrophobicContact CG-CD1 4.22Å; L1737-F1780 HydrophobicContact CD1-CE2 3.89Å; L1737-F1780 HydrophobicContact CD1-CZ 4.4Å; L1737-F1784 HydrophobicContact CB-CE1 3.87Å; L1737-F1784 HydrophobicContact CB-CE2 4.1Å; L1737-F1784 HydrophobicContact CB-CZ 3.45Å; L1737-F1784 VanDerWaalsContact CB-CZ 3.45Å; L1737-F1784 HydrophobicContact CD1-CD2 4.49Å; L1737-F1784 HydrophobicContact CD1-CE2 4.23Å; L1737-F1784 HydrophobicContact CD1-CZ 4.31Å; L1737-W1789 HydrophobicContact CD1-CH2 3.92Å; L1737-W1789 HydrophobicContact CD1-CZ2 4.47Å; L1737-W1789 HydrophobicContact CD2-CH2 4.18Å; L1737-V1794 HydrophobicContact CD2-CG1 4.33Å; L1737-P1798 HydrophobicContact CD1-CB 3.81Å; L1737-P1798 HydrophobicContact CD1-CG 4.18Å; L1737-P1798 HydrophobicContact CD2-CB 4.48Å; L1737-P1798 HydrophobicContact CD2-CG 3.93Å |
| 1738 | Q | 85.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 52.2 Ų | 52.2 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -79.2 | -36.2 | 177.1 | -71.9 | -178.3 | -9.1 | 0 | 0 | 112.2 | R1734 E1735 Q1740 F1784 | R1734-Q1738 WeakPolarHBondContact O-CG 3.44Å; R1734-Q1738 PolarHBondContact O-N 2.81Å; E1735-Q1738 PolarHBondContact O-N 3.06Å; Q1738-Q1740 PolarHBondContact O-N 3.12Å; Q1738-F1784 HydrophobicContact CG-CE1 4.49Å; Q1738-F1784 HydrophobicContact CG-CZ 3.73Å |
| 1739 | S | 80.2 | Confident | 85.5 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | trans | -75 | 111.4 | -178.5 | 167.5 | 0 | 0 | 0 | 0 | 110.4 | E1735 S1741 S1742 | E1735-S1739 WeakPolarHBondContact O-CB 3.47Å; E1735-S1739 PolarHBondContact O-N 2.98Å; S1739-S1741 PolarHBondContact O-N 2.84Å; S1739-S1741 PolarHBondContact OG-OG 2.93Å; S1739-S1741 VanDerWaalsContact OG-OG 3.12Å; S1739-S1742 WeakPolarHBondContact CB-OG 3.39Å; S1739-S1742 PolarHBondContact O-N 2.89Å; S1739-S1742 PolarHBondContact O-OG 3.19Å; S1739-S1742 PolarHBondContact OG-OG 3.06Å; S1739-S1742 VanDerWaalsContact OG-OG 3.09Å | ||
| 1740 | Q | 66.7 | Low | 85.4 | Confident | 204 Ų | 204 | 53.5 Ų | 53.5 | 95% | 0.953 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.5 | 178 | -65.6 | -169.5 | 5.7 | 0 | 0 | 113.4 | Q1738 | Q1738-Q1740 PolarHBondContact O-N 3.12Š|
| 1741 | S | 63.4 | Low | 85.3 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 78% | 0.783 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -0.5 | -179 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | S1739 | S1739-S1741 PolarHBondContact O-N 2.84Å; S1739-S1741 PolarHBondContact OG-OG 2.93Å; S1739-S1741 VanDerWaalsContact OG-OG 3.12Å |
| 1742 | S | 62.6 | Low | 85.2 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -69.5 | 132.5 | -178.2 | -42.7 | 0 | 0 | 0 | 0 | 111.5 | T1736 S1739 | T1736-S1742 WeakPolarHBondContact O-CB 3.19Å; T1736-S1742 PolarHBondContact O-OG 3.04Å; S1739-S1742 WeakPolarHBondContact CB-OG 3.39Å; S1739-S1742 PolarHBondContact O-N 2.89Å; S1739-S1742 PolarHBondContact O-OG 3.19Å; S1739-S1742 PolarHBondContact OG-OG 3.06Å; S1739-S1742 VanDerWaalsContact OG-OG 3.09Å | ||
| 1743 | S | 73.7 | Confident | 85.3 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | trans | -67.6 | 140.3 | 174.8 | 71.2 | 0 | 0 | 0 | 0 | 111.1 | T1745 L1746 L1747 | S1743-T1745 PolarHBondContact O-N 2.76Å; S1743-L1746 WeakPolarHBondContact O-CB 3.24Å; S1743-L1746 PolarHBondContact O-N 3.29Å; S1743-L1746 WeakPolarHBondContact OG-CB 3.25Å; S1743-L1746 PolarHBondContact OG-N 3.28Å; S1743-L1746 VanDerWaalsContact OG-N 3.16Å; S1743-L1747 PolarHBondContact O-N 3.41Å | ||
| 1744 | D | 81.5 | Confident | 85.3 | Confident | 103 Ų | 103 | 55.4 Ų | 55.4 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.6 | -30.3 | 174.6 | -167.6 | 33.2 | 0 | 0 | 0 | 110.9 | L1746 L1747 Q1748 | D1744-L1746 PolarHBondContact O-N 2.94Å; D1744-L1747 WeakPolarHBondContact O-CB 3.26Å; D1744-L1747 PolarHBondContact O-N 3.34Å; D1744-Q1748 VanDerWaalsContact O-CG 3.31Å; D1744-Q1748 WeakPolarHBondContact O-CG 3.44Å; D1744-Q1748 PolarHBondContact O-N 3.12Å |
| 1745 | T | 86.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 59.5 Ų | 59.5 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 171.8 | -47.9 | 0 | 0 | 0 | 0 | 112.5 | S1743 Q1748 L1749 | S1743-T1745 PolarHBondContact O-N 2.76Å; T1745-Q1748 PolarHBondContact O-N 2.81Å; T1745-L1749 WeakPolarHBondContact O-CG 3.29Å; T1745-L1749 PolarHBondContact O-N 2.89Å |
| 1746 | L | 89 | Confident | 85.5 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 177.2 | 179.9 | 61.1 | 0 | 0 | 0 | 110.7 | L1688 T1736 S1743 D1744 Q1748 L1749 V1750 | L1688-L1746 HydrophobicContact CB-CD1 3.64Å; T1736-L1746 HydrophobicContact CG2-CD2 4.27Å; T1736-L1746 HydrophobicContact CG2-CG 4.19Å; S1743-L1746 WeakPolarHBondContact O-CB 3.24Å; S1743-L1746 PolarHBondContact O-N 3.29Å; S1743-L1746 WeakPolarHBondContact OG-CB 3.25Å; S1743-L1746 PolarHBondContact OG-N 3.28Å; S1743-L1746 VanDerWaalsContact OG-N 3.16Å; D1744-L1746 PolarHBondContact O-N 2.94Å; L1746-Q1748 VanDerWaalsContact C-N 3.31Å; L1746-Q1748 PolarHBondContact O-N 3.12Å; L1746-L1749 PolarHBondContact O-N 3.37Å; L1746-L1749 VanDerWaalsContact O-N 3.15Å; L1746-V1750 HydrophobicContact CD1-CG2 4.42Å; L1746-V1750 WeakPolarHBondContact O-CG2 3.32Å; L1746-V1750 PolarHBondContact O-N 3.43Å |
| 1747 | L | 89.4 | Confident | 85.7 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 175.7 | 179.8 | 62.1 | 0 | 0 | 0 | 111.5 | L1733 T1736 L1737 S1743 D1744 L1749 V1750 L1751 P1798 | L1733-L1747 HydrophobicContact CD1-CD1 3.62Å; T1736-L1747 HydrophobicContact CG2-CB 4.03Å; T1736-L1747 HydrophobicContact CG2-CD1 4.27Å; L1737-L1747 HydrophobicContact CD2-CD1 3.97Å; L1737-L1747 HydrophobicContact CD2-CD2 4.13Å; L1737-L1747 HydrophobicContact CG-CD1 4.22Å; S1743-L1747 PolarHBondContact O-N 3.41Å; D1744-L1747 WeakPolarHBondContact O-CB 3.26Å; D1744-L1747 PolarHBondContact O-N 3.34Å; L1747-L1749 PolarHBondContact O-N 3.29Å; L1747-V1750 PolarHBondContact O-N 3.45Å; L1747-L1751 HydrophobicContact CG-CD1 4.29Å; L1747-L1751 VanDerWaalsContact O-CG 3.32Å; L1747-L1751 WeakPolarHBondContact O-CG 3.46Å; L1747-L1751 PolarHBondContact O-N 3.35Å; L1747-P1798 HydrophobicContact CD1-CG 4.36Å |
| 1748 | Q | 90 | Very high | 85.9 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.8 | -67.5 | -61.8 | -32.4 | 0 | 0 | 112.7 | D1744 T1745 L1746 L1751 K1752 | D1744-Q1748 VanDerWaalsContact O-CG 3.31Å; D1744-Q1748 WeakPolarHBondContact O-CG 3.44Å; D1744-Q1748 PolarHBondContact O-N 3.12Å; T1745-Q1748 PolarHBondContact O-N 2.81Å; L1746-Q1748 VanDerWaalsContact C-N 3.31Å; L1746-Q1748 PolarHBondContact O-N 3.12Å; Q1748-L1751 PolarHBondContact O-N 3.01Å; Q1748-K1752 VanDerWaalsContact O-CG 3.28Å; Q1748-K1752 WeakPolarHBondContact O-CG 3.33Å; Q1748-K1752 PolarHBondContact O-N 3.22Å |
| 1749 | L | 91.9 | Very high | 86 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.1 | -70.2 | -177.3 | 0 | 0 | 0 | 111.7 | L1688 L1691 C1692 T1745 L1746 L1747 L1751 K1752 C1753 | L1688-L1749 HydrophobicContact CD1-CB 4.35Å; L1688-L1749 HydrophobicContact CD2-CB 4.16Å; L1688-L1749 HydrophobicContact CD2-CD1 4.37Å; L1691-L1749 HydrophobicContact CB-CD1 4Å; C1692-L1749 VanDerWaalsContact SG-CD1 3.57Å; T1745-L1749 WeakPolarHBondContact O-CG 3.29Å; T1745-L1749 PolarHBondContact O-N 2.89Å; L1746-L1749 PolarHBondContact O-N 3.37Å; L1746-L1749 VanDerWaalsContact O-N 3.15Å; L1747-L1749 PolarHBondContact O-N 3.29Å; L1749-L1751 VanDerWaalsContact C-N 3.35Å; L1749-L1751 PolarHBondContact O-N 3.32Å; L1749-K1752 PolarHBondContact O-N 3.26Å; L1749-C1753 PolarHBondContact O-N 3.47Å; L1749-C1753 PolarHBondContact O-SG 3.16Å; L1749-C1753 VanDerWaalsContact O-SG 3.38Å |
| 1750 | V | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | L1688 L1732 L1733 L1746 L1747 K1752 C1753 I1754 | L1688-V1750 HydrophobicContact CD1-CG2 3.82Å; L1732-V1750 HydrophobicContact CD2-CG2 3.8Å; L1732-V1750 HydrophobicContact CG-CG1 4.48Å; L1732-V1750 HydrophobicContact CG-CG2 3.94Å; L1733-V1750 HydrophobicContact CB-CG1 3.98Å; L1733-V1750 HydrophobicContact CD1-CG1 4.18Å; L1746-V1750 HydrophobicContact CD1-CG2 4.42Å; L1746-V1750 WeakPolarHBondContact O-CG2 3.32Å; L1746-V1750 PolarHBondContact O-N 3.43Å; L1747-V1750 PolarHBondContact O-N 3.45Å; V1750-K1752 PolarHBondContact O-N 3.44Å; V1750-C1753 WeakPolarHBondContact O-CB 3.13Å; V1750-C1753 PolarHBondContact O-N 2.69Å; V1750-I1754 HydrophobicContact CG1-CD1 4.19Å; V1750-I1754 WeakPolarHBondContact O-CG1 3.33Å; V1750-I1754 PolarHBondContact O-N 3.2Å |
| 1751 | L | 93.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.1 | -71.6 | 171.4 | 0 | 0 | 0 | 112.3 | L1733 L1747 Q1748 L1749 C1753 I1754 W1755 V1797 P1798 T1801 | L1733-L1751 HydrophobicContact CD1-CD2 3.97Å; L1733-L1751 HydrophobicContact CD1-CG 4.38Å; L1747-L1751 HydrophobicContact CG-CD1 4.29Å; L1747-L1751 VanDerWaalsContact O-CG 3.32Å; L1747-L1751 WeakPolarHBondContact O-CG 3.46Å; L1747-L1751 PolarHBondContact O-N 3.35Å; Q1748-L1751 PolarHBondContact O-N 3.01Å; L1749-L1751 VanDerWaalsContact C-N 3.35Å; L1749-L1751 PolarHBondContact O-N 3.32Å; L1751-C1753 VanDerWaalsContact C-N 3.33Å; L1751-C1753 PolarHBondContact O-N 3.44Å; L1751-I1754 PolarHBondContact O-N 3.08Å; L1751-W1755 HydrophobicContact CB-CH2 4.15Å; L1751-W1755 HydrophobicContact CB-CZ2 3.97Å; L1751-W1755 HydrophobicContact CD1-CZ2 4.48Å; L1751-W1755 PolarHBondContact O-N 3.43Å; L1751-V1797 HydrophobicContact CD1-CB 4.45Å; L1751-V1797 HydrophobicContact CD1-CG1 3.87Å; L1751-P1798 HydrophobicContact CD2-CB 4.47Å; L1751-T1801 HydrophobicContact CD2-CG2 4.12Å |
| 1752 | K | 93.3 | Very high | 88.2 | Confident | 119 Ų | 119 | 44.3 Ų | 44.3 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 175.8 | -75.1 | 171.6 | -177.3 | 175.7 | 0 | 112.2 | Q1748 L1749 V1750 W1755 K1756 | Q1748-K1752 VanDerWaalsContact O-CG 3.28Å; Q1748-K1752 WeakPolarHBondContact O-CG 3.33Å; Q1748-K1752 PolarHBondContact O-N 3.22Å; L1749-K1752 PolarHBondContact O-N 3.26Å; V1750-K1752 PolarHBondContact O-N 3.44Å; K1752-W1755 HydrophobicContact CG-CE3 4.21Å; K1752-W1755 HydrophobicContact CG-CZ3 4.23Å; K1752-W1755 PolarHBondContact O-N 3.33Å; K1752-K1756 WeakPolarHBondContact O-CB 3.33Å; K1752-K1756 PolarHBondContact O-N 3.2Å |
| 1753 | C | 94.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.054 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.5 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | I1717 L1729 L1749 V1750 L1751 W1755 K1756 W1757 | I1717-C1753 HydrophobicContact CD1-CB 3.72Å; L1729-C1753 HydrophobicContact CD1-CB 4.18Å; L1729-C1753 HydrophobicContact CD2-CB 3.75Å; L1749-C1753 PolarHBondContact O-N 3.47Å; L1749-C1753 PolarHBondContact O-SG 3.16Å; L1749-C1753 VanDerWaalsContact O-SG 3.38Å; V1750-C1753 WeakPolarHBondContact O-CB 3.13Å; V1750-C1753 PolarHBondContact O-N 2.69Å; L1751-C1753 VanDerWaalsContact C-N 3.33Å; L1751-C1753 PolarHBondContact O-N 3.44Å; C1753-W1755 PolarHBondContact O-N 3.21Å; C1753-K1756 PolarHBondContact O-N 2.79Å; C1753-W1757 PolarHBondContact O-N 3.29Å |
| 1754 | I | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.5 | -67.4 | 170.8 | 0 | 0 | 0 | 111.8 | I1726 L1729 L1730 L1733 V1750 L1751 K1756 W1757 S1758 T1801 I1805 | I1726-I1754 HydrophobicContact CD1-CG1 4.49Å; I1726-I1754 HydrophobicContact CD1-CG2 4.28Å; L1729-I1754 HydrophobicContact CB-CD1 4.39Å; L1729-I1754 HydrophobicContact CB-CG1 3.8Å; L1729-I1754 HydrophobicContact CD1-CG1 4.26Å; L1730-I1754 HydrophobicContact CD2-CD1 4.46Å; L1733-I1754 HydrophobicContact CB-CD1 4.11Å; L1733-I1754 HydrophobicContact CD2-CD1 3.81Å; L1733-I1754 HydrophobicContact CG-CD1 4.41Å; V1750-I1754 HydrophobicContact CG1-CD1 4.19Å; V1750-I1754 WeakPolarHBondContact O-CG1 3.33Å; V1750-I1754 PolarHBondContact O-N 3.2Å; L1751-I1754 PolarHBondContact O-N 3.08Å; I1754-K1756 VanDerWaalsContact C-N 3.33Å; I1754-W1757 PolarHBondContact O-N 3.5Å; I1754-S1758 WeakPolarHBondContact O-CB 3.25Å; I1754-S1758 PolarHBondContact O-N 3Å; I1754-S1758 PolarHBondContact O-OG 3.2Å; I1754-T1801 HydrophobicContact CB-CG2 4.28Å; I1754-T1801 HydrophobicContact CG2-CG2 3.5Å; I1754-I1805 HydrophobicContact CG2-CD1 3.65Å; I1754-I1805 HydrophobicContact CG2-CG1 4.31Å |
| 1755 | W | 94.6 | Very high | 90.1 | Very high | 107 Ų | 107 | 46.5 Ų | 46.5 | 41% | 0.405 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.4 | -35.6 | 176.7 | -61.5 | -24.3 | 0 | 0 | 0 | 112.1 | L1751 K1752 C1753 S1758 G1759 V1797 T1801 | L1751-W1755 HydrophobicContact CB-CH2 4.15Å; L1751-W1755 HydrophobicContact CB-CZ2 3.97Å; L1751-W1755 HydrophobicContact CD1-CZ2 4.48Å; L1751-W1755 PolarHBondContact O-N 3.43Å; K1752-W1755 HydrophobicContact CG-CE3 4.21Å; K1752-W1755 HydrophobicContact CG-CZ3 4.23Å; K1752-W1755 PolarHBondContact O-N 3.33Å; C1753-W1755 PolarHBondContact O-N 3.21Å; W1755-S1758 WeakPolarHBondContact O-CB 3.31Å; W1755-S1758 PolarHBondContact O-N 3.24Å; W1755-G1759 PolarHBondContact O-N 2.85Å; W1755-V1797 HydrophobicContact CH2-CG1 4.27Å; W1755-V1797 HydrophobicContact CZ2-CG1 3.78Å; W1755-T1801 VanDerWaalsContact NE1-CG2 3.34Å; W1755-T1801 PolarHBondContact NE1-OG1 3.23Å |
| 1756 | K | 92.5 | Very high | 89.9 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 44% | 0.443 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174 | -175.1 | 63.4 | 174.8 | -168.5 | 0 | 111.9 | M1714 I1717 K1752 C1753 I1754 S1760 | M1714-K1756 HydrophobicContact CE-CD 3.62Å; M1714-K1756 VanDerWaalsContact CE-CE 3.41Å; M1714-K1756 HydrophobicContact CE-CG 3.75Å; M1714-K1756 HydrophobicContact SD-CB 4.47Å; M1714-K1756 HydrophobicContact SD-CD 4.43Å; M1714-K1756 HydrophobicContact SD-CG 3.88Å; I1717-K1756 HydrophobicContact CG2-CG 4.39Å; K1752-K1756 WeakPolarHBondContact O-CB 3.33Å; K1752-K1756 PolarHBondContact O-N 3.2Å; C1753-K1756 PolarHBondContact O-N 2.79Å; I1754-K1756 VanDerWaalsContact C-N 3.33Å; K1756-S1760 PolarHBondContact O-OG 2.95Å |
| 1757 | W | 94.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 171.6 | -178.4 | 94.9 | 0 | 0 | 0 | 111 | I1717 P1722 I1726 L1729 C1753 I1754 G1759 S1760 V1761 F1764 L1768 L1773 I1805 | I1717-W1757 HydrophobicContact CG2-CB 3.89Å; P1722-W1757 PolarHBondContact O-NE1 3.2Å; I1726-W1757 HydrophobicContact CB-CD2 3.89Å; I1726-W1757 VanDerWaalsContact CB-CE2 3.48Å; I1726-W1757 HydrophobicContact CB-CE3 4.28Å; I1726-W1757 HydrophobicContact CB-CG 4.44Å; I1726-W1757 HydrophobicContact CB-CH2 3.97Å; I1726-W1757 HydrophobicContact CB-CZ2 3.52Å; I1726-W1757 HydrophobicContact CB-CZ3 4.33Å; I1726-W1757 HydrophobicContact CD1-CD2 3.7Å; I1726-W1757 HydrophobicContact CD1-CE3 3.54Å; I1726-W1757 HydrophobicContact CD1-CG 4.15Å; I1726-W1757 HydrophobicContact CD1-CH2 4.47Å; I1726-W1757 HydrophobicContact CD1-CZ3 3.96Å; I1726-W1757 HydrophobicContact CG1-CD2 3.92Å; I1726-W1757 HydrophobicContact CG1-CE3 3.8Å; I1726-W1757 HydrophobicContact CG1-CH2 3.8Å; I1726-W1757 HydrophobicContact CG1-CZ2 3.88Å; I1726-W1757 HydrophobicContact CG1-CZ3 3.75Å; I1726-W1757 HydrophobicContact CG2-CH2 3.98Å; I1726-W1757 HydrophobicContact CG2-CZ2 3.52Å; L1729-W1757 HydrophobicContact CD1-CB 4.49Å; C1753-W1757 PolarHBondContact O-N 3.29Å; I1754-W1757 PolarHBondContact O-N 3.5Å; W1757-G1759 VanDerWaalsContact C-N 3.3Å; W1757-G1759 PolarHBondContact O-N 2.87Å; W1757-S1760 WeakPolarHBondContact O-CA 3.48Å; W1757-S1760 WeakPolarHBondContact O-CB 3.4Å; W1757-S1760 PolarHBondContact O-N 3.48Å; W1757-V1761 HydrophobicContact CD2-CG2 4.23Å; W1757-V1761 HydrophobicContact CE3-CG2 3.65Å; W1757-V1761 HydrophobicContact CH2-CG2 3.64Å; W1757-V1761 HydrophobicContact CZ2-CG2 4.22Å; W1757-V1761 HydrophobicContact CZ3-CG2 3.32Å; W1757-V1761 PolarHBondContact O-N 3.34Å; W1757-F1764 HydrophobicContact CD2-CZ 4.19Å; W1757-F1764 AromaticContact CE2-CE2 3.73Å; W1757-F1764 AromaticContact CE2-CZ 3.65Å; W1757-F1764 HydrophobicContact CG-CZ 4.39Å; W1757-F1764 HydrophobicContact CH2-CE2 4.42Å; W1757-F1764 AromaticContact CZ2-CE2 3.65Å; W1757-F1764 HydrophobicContact CZ2-CE2 3.65Å; W1757-F1764 HydrophobicContact CZ2-CZ 4.07Å; W1757-F1764 AromaticContact NE1-CE2 3.89Å; W1757-F1764 AromaticContact NE1-CZ 3.58Å; W1757-L1768 HydrophobicContact CH2-CD1 4.29Å; W1757-L1768 HydrophobicContact CH2-CD2 4.43Å; W1757-L1768 HydrophobicContact CZ2-CD1 4.39Å; W1757-L1768 HydrophobicContact CZ2-CD2 3.8Å; W1757-L1773 HydrophobicContact CH2-CD2 4.25Å; W1757-I1805 HydrophobicContact CZ3-CG2 4.11Å |
| 1758 | S | 91.7 | Very high | 89.8 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | -179.2 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | I1754 W1755 S1760 V1761 | I1754-S1758 WeakPolarHBondContact O-CB 3.25Å; I1754-S1758 PolarHBondContact O-N 3Å; I1754-S1758 PolarHBondContact O-OG 3.2Å; W1755-S1758 WeakPolarHBondContact O-CB 3.31Å; W1755-S1758 PolarHBondContact O-N 3.24Å; S1758-S1760 PolarHBondContact O-N 2.95Å; S1758-V1761 WeakPolarHBondContact O-CG2 3.22Å; S1758-V1761 PolarHBondContact O-N 3.09Å |
| 1759 | G | 86.9 | Confident | 89.9 | Confident | 63 Ų | 63 | 53 Ų | 53 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | W1755 W1757 | W1755-G1759 PolarHBondContact O-N 2.85Å; W1757-G1759 VanDerWaalsContact C-N 3.3Å; W1757-G1759 PolarHBondContact O-N 2.87Å |
| 1760 | S | 86 | Confident | 89.8 | Confident | 23 Ų | 23 | 51.8 Ų | 51.8 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -11.9 | -178.7 | -55 | 0 | 0 | 0 | 0 | 113.3 | K1756 W1757 S1758 P1762 K1763 F1764 | K1756-S1760 PolarHBondContact O-OG 2.95Å; W1757-S1760 WeakPolarHBondContact O-CA 3.48Å; W1757-S1760 WeakPolarHBondContact O-CB 3.4Å; W1757-S1760 PolarHBondContact O-N 3.48Å; S1758-S1760 PolarHBondContact O-N 2.95Å; S1760-P1762 VanDerWaalsContact C-N 3.33Å; S1760-K1763 WeakPolarHBondContact O-CB 3.21Å; S1760-K1763 PolarHBondContact O-N 2.88Å; S1760-F1764 VanDerWaalsContact C-CE1 3.48Å; S1760-F1764 WeakPolarHBondContact O-CD1 3.19Å; S1760-F1764 WeakPolarHBondContact O-CE1 3.48Å |
| 1761 | V | 88.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -46.6 | -44.5 | -179.9 | 172.4 | 0 | 0 | 0 | 0 | 114.1 | W1757 S1758 K1763 F1764 V1765 | W1757-V1761 HydrophobicContact CD2-CG2 4.23Å; W1757-V1761 HydrophobicContact CE3-CG2 3.65Å; W1757-V1761 HydrophobicContact CH2-CG2 3.64Å; W1757-V1761 HydrophobicContact CZ2-CG2 4.22Å; W1757-V1761 HydrophobicContact CZ3-CG2 3.32Å; W1757-V1761 PolarHBondContact O-N 3.34Å; S1758-V1761 WeakPolarHBondContact O-CG2 3.22Å; S1758-V1761 PolarHBondContact O-N 3.09Å; V1761-K1763 PolarHBondContact O-N 3.39Å; V1761-F1764 HydrophobicContact CB-CE2 4.41Å; V1761-F1764 HydrophobicContact CG2-CE2 4.12Å; V1761-F1764 HydrophobicContact CG2-CZ 4.18Å; V1761-F1764 PolarHBondContact O-N 2.89Å; V1761-F1764 VanDerWaalsContact O-N 3.12Å; V1761-V1765 HydrophobicContact CG1-CB 4.19Å; V1761-V1765 HydrophobicContact CG1-CG2 3.97Å; V1761-V1765 WeakPolarHBondContact O-CB 3.48Å; V1761-V1765 PolarHBondContact O-N 2.74Å |
| 1762 | P | 83.4 | Confident | 89.7 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.9 | -22.1 | -179.1 | -25.7 | 35.1 | 0 | 0 | 0 | 114.5 | S1760 | S1760-P1762 VanDerWaalsContact C-N 3.33Å |
| 1763 | K | 85.6 | Confident | 89.6 | Confident | 185 Ų | 185 | 50 Ų | 50 | 80% | 0.804 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -81.1 | -29.9 | -178.4 | -60.1 | -177.9 | 178.4 | -178.3 | 0 | 113.7 | S1760 V1761 | S1760-K1763 WeakPolarHBondContact O-CB 3.21Å; S1760-K1763 PolarHBondContact O-N 2.88Å; V1761-K1763 PolarHBondContact O-N 3.39Å |
| 1764 | F | 86 | Confident | 89.4 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -130.2 | 10.5 | -171.1 | 57.1 | -113.2 | 0 | 0 | 0 | 113.5 | P1722 W1757 S1760 V1761 G1766 K1767 L1768 | P1722-F1764 HydrophobicContact CB-CB 4.45Å; P1722-F1764 HydrophobicContact CB-CD1 4.17Å; P1722-F1764 HydrophobicContact CB-CD2 3.31Å; P1722-F1764 HydrophobicContact CB-CE1 4.23Å; P1722-F1764 HydrophobicContact CB-CE2 3.43Å; P1722-F1764 VanDerWaalsContact CB-CE2 3.43Å; P1722-F1764 HydrophobicContact CB-CG 3.73Å; P1722-F1764 HydrophobicContact CB-CZ 3.9Å; P1722-F1764 HydrophobicContact CG-CB 3.83Å; P1722-F1764 HydrophobicContact CG-CD1 3.95Å; P1722-F1764 HydrophobicContact CG-CD2 3.66Å; P1722-F1764 HydrophobicContact CG-CE1 4.42Å; P1722-F1764 HydrophobicContact CG-CE2 4.21Å; P1722-F1764 HydrophobicContact CG-CG 3.54Å; W1757-F1764 HydrophobicContact CD2-CZ 4.19Å; W1757-F1764 AromaticContact CE2-CE2 3.73Å; W1757-F1764 AromaticContact CE2-CZ 3.65Å; W1757-F1764 HydrophobicContact CG-CZ 4.39Å; W1757-F1764 HydrophobicContact CH2-CE2 4.42Å; W1757-F1764 AromaticContact CZ2-CE2 3.65Å; W1757-F1764 HydrophobicContact CZ2-CE2 3.65Å; W1757-F1764 HydrophobicContact CZ2-CZ 4.07Å; W1757-F1764 AromaticContact NE1-CE2 3.89Å; W1757-F1764 AromaticContact NE1-CZ 3.58Å; S1760-F1764 VanDerWaalsContact C-CE1 3.48Å; S1760-F1764 WeakPolarHBondContact O-CD1 3.19Å; S1760-F1764 WeakPolarHBondContact O-CE1 3.48Å; V1761-F1764 HydrophobicContact CB-CE2 4.41Å; V1761-F1764 HydrophobicContact CG2-CE2 4.12Å; V1761-F1764 HydrophobicContact CG2-CZ 4.18Å; V1761-F1764 PolarHBondContact O-N 2.89Å; V1761-F1764 VanDerWaalsContact O-N 3.12Å; F1764-G1766 PolarHBondContact O-N 3.17Å; F1764-K1767 WeakPolarHBondContact O-CB 3.38Å; F1764-K1767 PolarHBondContact O-N 3.48Å; F1764-L1768 HydrophobicContact CD2-CD1 4.45Å; F1764-L1768 HydrophobicContact CD2-CD2 3.99Å; F1764-L1768 HydrophobicContact CD2-CG 4.2Å; F1764-L1768 HydrophobicContact CE2-CD1 4.41Å; F1764-L1768 HydrophobicContact CE2-CD2 4.01Å; F1764-L1768 HydrophobicContact CE2-CG 4.47Å |
| 1765 | V | 86.6 | Confident | 89.3 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -53 | -30.9 | -174.2 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | V1761 K1767 L1768 H1812 L1813 | V1761-V1765 HydrophobicContact CG1-CB 4.19Å; V1761-V1765 HydrophobicContact CG1-CG2 3.97Å; V1761-V1765 WeakPolarHBondContact O-CB 3.48Å; V1761-V1765 PolarHBondContact O-N 2.74Å; V1765-K1767 VanDerWaalsContact C-N 3.34Å; V1765-L1768 HydrophobicContact CG2-CD1 4.22Å; V1765-H1812 HydrophobicContact CG2-CB 4.02Å; V1765-L1813 HydrophobicContact CG1-CD2 4.41Å; V1765-L1813 HydrophobicContact CG2-CD1 3.73Å; V1765-L1813 HydrophobicContact CG2-CD2 3.87Å; V1765-L1813 HydrophobicContact CG2-CG 3.57Å |
| 1766 | G | 81.8 | Confident | 89.3 | Confident | 69 Ų | 69 | 47.4 Ų | 47.4 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -72.9 | -18.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1764 | F1764-G1766 PolarHBondContact O-N 3.17Š|
| 1767 | K | 85.5 | Confident | 89.3 | Confident | 142 Ų | 142 | 42.8 Ų | 42.8 | 62% | 0.617 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -89.1 | 0.6 | 178.1 | -60.8 | -173.3 | 176.1 | -172 | 0 | 113.1 | E1669 F1764 V1765 | E1669-K1767 IonicContact OE1-NZ 2.86Å; F1764-K1767 WeakPolarHBondContact O-CB 3.38Å; F1764-K1767 PolarHBondContact O-N 3.48Å; V1765-K1767 VanDerWaalsContact C-N 3.34Å |
| 1768 | L | 90.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | trans | -83.3 | 132.1 | -174 | -66.2 | 175.4 | 0 | 0 | 0 | 112.5 | P1722 T1723 W1757 F1764 V1765 L1770 L1809 | P1722-L1768 HydrophobicContact CB-CD2 3.82Å; T1723-L1768 WeakPolarHBondContact OG1-CA 3.34Å; W1757-L1768 HydrophobicContact CH2-CD1 4.29Å; W1757-L1768 HydrophobicContact CH2-CD2 4.43Å; W1757-L1768 HydrophobicContact CZ2-CD1 4.39Å; W1757-L1768 HydrophobicContact CZ2-CD2 3.8Å; F1764-L1768 HydrophobicContact CD2-CD1 4.45Å; F1764-L1768 HydrophobicContact CD2-CD2 3.99Å; F1764-L1768 HydrophobicContact CD2-CG 4.2Å; F1764-L1768 HydrophobicContact CE2-CD1 4.41Å; F1764-L1768 HydrophobicContact CE2-CD2 4.01Å; F1764-L1768 HydrophobicContact CE2-CG 4.47Å; V1765-L1768 HydrophobicContact CG2-CD1 4.22Å; L1768-L1770 HydrophobicContact CB-CD2 3.89Å; L1768-L1770 PolarHBondContact O-N 2.71Å; L1768-L1770 VanDerWaalsContact O-N 3.16Å; L1768-L1809 HydrophobicContact CD1-CD2 3.76Å | ||
| 1769 | E | 91 | Very high | 89.4 | Confident | 106 Ų | 106 | 45.7 Ų | 45.7 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | trans | -80 | 95.8 | 169.2 | -56.7 | -178.9 | 158.5 | 0 | 0 | 109.9 | T1723 S1771 R1772 L1773 | T1723-E1769 HydrophobicContact CG2-CB 3.68Å; T1723-E1769 HydrophobicContact CG2-CG 4.02Å; T1723-E1769 PolarHBondContact OG1-N 2.93Å; E1769-S1771 PolarHBondContact O-N 3.16Å; E1769-R1772 HydrophobicContact CB-CB 4.23Å; E1769-R1772 PolarHBondContact O-N 3.32Å; E1769-R1772 WeakPolarHBondContact OE2-CD 3.26Å; E1769-R1772 IonicContact OE2-NH1 3.82Å; E1769-L1773 PolarHBondContact O-N 2.99Å | ||
| 1770 | L | 91.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | -169.3 | -54 | -178 | 0 | 0 | 0 | 113 | L1768 R1772 L1773 L1774 L1813 K1817 L1818 H1821 | L1768-L1770 HydrophobicContact CB-CD2 3.89Å; L1768-L1770 PolarHBondContact O-N 2.71Å; L1768-L1770 VanDerWaalsContact O-N 3.16Å; L1770-R1772 VanDerWaalsContact C-N 3.32Å; L1770-R1772 PolarHBondContact O-N 3.39Å; L1770-L1773 PolarHBondContact O-N 3.36Å; L1770-L1774 WeakPolarHBondContact O-CB 3.47Å; L1770-L1774 WeakPolarHBondContact O-CG 3.46Å; L1770-L1774 PolarHBondContact O-N 3.35Å; L1770-L1813 HydrophobicContact CD1-CD1 3.85Å; L1770-L1813 HydrophobicContact CD2-CD1 3.36Å; L1770-L1813 HydrophobicContact CG-CD1 4.26Å; L1770-K1817 HydrophobicContact CD1-CG 4.17Å; L1770-L1818 HydrophobicContact CB-CD2 4.29Å; L1770-L1818 HydrophobicContact CD1-CD2 4.12Å; L1770-L1818 HydrophobicContact CD2-CD2 4.13Å; L1770-L1818 HydrophobicContact CG-CD2 4.39Å; L1770-H1821 HydrophobicContact CB-CB 3.91Å |
| 1771 | S | 90.9 | Very high | 90.1 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 179 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | E1769 L1775 H1821 N1823 | E1769-S1771 PolarHBondContact O-N 3.16Å; S1771-L1775 WeakPolarHBondContact O-CB 3.18Å; S1771-L1775 PolarHBondContact O-N 2.85Å; S1771-H1821 VanDerWaalsContact CA-O 3.29Å; S1771-H1821 WeakPolarHBondContact CA-O 3.35Å; S1771-H1821 WeakPolarHBondContact OG-CB 3.44Å; S1771-H1821 PolarHBondContact OG-O 2.96Å; S1771-N1823 WeakPolarHBondContact CB-OD1 3.02Å; S1771-N1823 PolarHBondContact OG-OD1 3.23Å |
| 1772 | R | 92.7 | Very high | 90.2 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.4 | -41.4 | -179.9 | -169.4 | 176.7 | 177.8 | 178.9 | 2.8 | 111.6 | D1677 V1727 E1769 L1770 L1775 E1776 | D1677-R1772 IonicContact OD1-NH2 3.59Å; D1677-R1772 PolarHBondContact OD1-NH2 2.98Å; D1677-R1772 IonicContact OD2-CZ 3.09Å; D1677-R1772 IonicContact OD2-NH2 2.92Å; D1677-R1772 PolarHBondContact OD2-NH2 3.31Å; V1727-R1772 HydrophobicContact CG2-CG 4.04Å; E1769-R1772 HydrophobicContact CB-CB 4.23Å; E1769-R1772 PolarHBondContact O-N 3.32Å; E1769-R1772 WeakPolarHBondContact OE2-CD 3.26Å; E1769-R1772 IonicContact OE2-NH1 3.82Å; L1770-R1772 VanDerWaalsContact C-N 3.32Å; L1770-R1772 PolarHBondContact O-N 3.39Å; R1772-L1775 PolarHBondContact O-N 3.17Å; R1772-E1776 PolarHBondContact O-N 3.46Å |
| 1773 | L | 91.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 178.1 | -171.3 | 55.1 | 0 | 0 | 0 | 112.5 | I1726 L1730 W1757 E1769 L1770 E1776 A1777 L1809 | I1726-L1773 HydrophobicContact CB-CD1 4.46Å; I1726-L1773 HydrophobicContact CG1-CD1 4.04Å; I1726-L1773 HydrophobicContact CG2-CD1 3.55Å; I1726-L1773 HydrophobicContact CG2-CD2 4.48Å; L1730-L1773 HydrophobicContact CD1-CD1 3.96Å; W1757-L1773 HydrophobicContact CH2-CD2 4.25Å; E1769-L1773 PolarHBondContact O-N 2.99Å; L1770-L1773 PolarHBondContact O-N 3.36Å; L1773-E1776 PolarHBondContact O-N 3.35Å; L1773-A1777 WeakPolarHBondContact O-CB 3.29Å; L1773-A1777 PolarHBondContact O-N 3.27Å; L1773-L1809 HydrophobicContact CD2-CD1 3.44Å; L1773-L1809 VanDerWaalsContact CD2-CD1 3.44Å; L1773-L1809 HydrophobicContact CD2-CD2 3.9Å; L1773-L1809 HydrophobicContact CD2-CG 4.23Å; L1773-L1809 HydrophobicContact CG-CD1 4Å |
| 1774 | L | 91.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67 | -38.8 | 174.4 | -73.6 | 174.1 | 0 | 0 | 0 | 112 | L1770 A1777 H1778 L1818 H1821 I1825 I1834 V1837 | L1770-L1774 WeakPolarHBondContact O-CB 3.47Å; L1770-L1774 WeakPolarHBondContact O-CG 3.46Å; L1770-L1774 PolarHBondContact O-N 3.35Å; L1774-A1777 PolarHBondContact O-N 3.37Å; L1774-H1778 VanDerWaalsContact O-CB 3.27Å; L1774-H1778 WeakPolarHBondContact O-CB 3.37Å; L1774-H1778 PolarHBondContact O-N 3.47Å; L1774-L1818 HydrophobicContact CD1-CB 4.34Å; L1774-L1818 HydrophobicContact CD1-CD2 4.47Å; L1774-L1818 WeakPolarHBondContact CD1-O 3.32Å; L1774-H1821 HydrophobicContact CD1-CB 4.45Å; L1774-I1825 HydrophobicContact CB-CD1 4.42Å; L1774-I1834 HydrophobicContact CD1-CD1 4.42Å; L1774-I1834 HydrophobicContact CD2-CD1 4.36Å; L1774-V1837 HydrophobicContact CD2-CG2 4.12Å |
| 1775 | L | 93 | Very high | 90.8 | Very high | 52 Ų | 52 | 39 Ų | 39 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 172.2 | 176.6 | 62 | 0 | 0 | 0 | 110.6 | S1771 R1772 A1777 H1778 T1779 L1824 I1825 | S1771-L1775 WeakPolarHBondContact O-CB 3.18Å; S1771-L1775 PolarHBondContact O-N 2.85Å; R1772-L1775 PolarHBondContact O-N 3.17Å; L1775-A1777 VanDerWaalsContact C-N 3.34Å; L1775-A1777 PolarHBondContact O-N 3.13Å; L1775-H1778 CarbonylContact O-C 3.54Å; L1775-H1778 WeakPolarHBondContact O-CA 3.46Å; L1775-H1778 WeakPolarHBondContact O-CB 3.47Å; L1775-H1778 PolarHBondContact O-N 2.93Å; L1775-H1778 VanDerWaalsContact O-N 3.1Å; L1775-T1779 PolarHBondContact O-N 2.83Å; L1775-T1779 PolarHBondContact O-OG1 2.93Å; L1775-L1824 HydrophobicContact CB-CB 4.37Å; L1775-L1824 HydrophobicContact CD2-CB 4.16Å; L1775-L1824 HydrophobicContact CD2-CD1 4.45Å; L1775-I1825 HydrophobicContact CD1-CG1 4.18Å |
| 1776 | E | 93.9 | Very high | 90.5 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | -177.9 | -155.5 | 67.1 | -146.6 | 0 | 0 | 112.3 | V1727 L1730 R1731 R1734 R1772 L1773 T1779 F1780 | V1727-E1776 HydrophobicContact CG1-CG 4.35Å; L1730-E1776 HydrophobicContact CB-CG 3.78Å; L1730-E1776 HydrophobicContact CD1-CB 4.19Å; L1730-E1776 HydrophobicContact CD1-CG 4.01Å; R1731-E1776 WeakPolarHBondContact CG-OE1 3.45Å; R1731-E1776 IonicContact CZ-OE2 3.44Å; R1731-E1776 IonicContact NE-OE1 2.96Å; R1731-E1776 PolarHBondContact NE-OE1 3.2Å; R1731-E1776 IonicContact NE-OE2 2.66Å; R1731-E1776 PolarHBondContact NE-OE2 3.36Å; R1731-E1776 IonicContact NH2-OE2 2.87Å; R1731-E1776 PolarHBondContact NH2-OE2 3.24Å; R1734-E1776 IonicContact CZ-OE1 2.69Å; R1734-E1776 IonicContact NH1-OE1 3.31Å; R1734-E1776 PolarHBondContact NH1-OE1 3.01Å; R1734-E1776 IonicContact NH2-OE1 3.47Å; R1734-E1776 PolarHBondContact NH2-OE1 3.37Å; R1772-E1776 PolarHBondContact O-N 3.46Å; L1773-E1776 PolarHBondContact O-N 3.35Å; E1776-T1779 PolarHBondContact O-N 3.13Å; E1776-F1780 PolarHBondContact O-N 3.45Å |
| 1777 | A | 92.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -39.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1773 L1774 L1775 F1780 F1781 V1802 V1806 A1833 | L1773-A1777 WeakPolarHBondContact O-CB 3.29Å; L1773-A1777 PolarHBondContact O-N 3.27Å; L1774-A1777 PolarHBondContact O-N 3.37Å; L1775-A1777 VanDerWaalsContact C-N 3.34Å; L1775-A1777 PolarHBondContact O-N 3.13Å; A1777-F1780 WeakPolarHBondContact O-CB 3.47Å; A1777-F1780 PolarHBondContact O-N 3.03Å; A1777-F1781 WeakPolarHBondContact O-CD2 3.41Å; A1777-F1781 PolarHBondContact O-N 2.89Å; A1777-F1781 VanDerWaalsContact O-N 3.1Å; A1777-V1802 HydrophobicContact CB-CG1 4.16Å; A1777-V1806 HydrophobicContact CB-CG2 4.19Å; A1777-A1833 HydrophobicContact CB-CB 4.27Å |
| 1778 | H | 93.7 | Very high | 90.3 | Very high | 38 Ų | 38 | 38 Ų | 38 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -50.6 | 173.5 | 170.6 | 66.7 | 0 | 0 | 0 | 110.9 | L1774 L1775 F1780 F1781 V1782 I1825 S1831 A1833 | L1774-H1778 VanDerWaalsContact O-CB 3.27Å; L1774-H1778 WeakPolarHBondContact O-CB 3.37Å; L1774-H1778 PolarHBondContact O-N 3.47Å; L1775-H1778 CarbonylContact O-C 3.54Å; L1775-H1778 WeakPolarHBondContact O-CA 3.46Å; L1775-H1778 WeakPolarHBondContact O-CB 3.47Å; L1775-H1778 PolarHBondContact O-N 2.93Å; L1775-H1778 VanDerWaalsContact O-N 3.1Å; H1778-F1780 VanDerWaalsContact C-N 3.26Å; H1778-F1780 PolarHBondContact O-N 3.03Å; H1778-F1781 PolarHBondContact O-N 3.01Å; H1778-V1782 VanDerWaalsContact CE1-CG2 3.41Å; H1778-V1782 WeakPolarHBondContact CE1-CG2 3.45Å; H1778-V1782 WeakPolarHBondContact O-CG2 3.39Å; H1778-V1782 PolarHBondContact O-N 2.82Å; H1778-I1825 HydrophobicContact CB-CD1 3.8Å; H1778-I1825 HydrophobicContact CB-CG1 4.24Å; H1778-S1831 WeakPolarHBondContact ND1-CB 3.41Å; H1778-S1831 PolarHBondContact ND1-OG 3.43Å; H1778-A1833 HydrophobicContact CB-CB 4.32Å |
| 1779 | T | 94.2 | Very high | 89.9 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.8 | -40.3 | 176.8 | -55 | 0 | 0 | 0 | 0 | 111.6 | L1775 E1776 V1782 Q1783 | L1775-T1779 PolarHBondContact O-N 2.83Å; L1775-T1779 PolarHBondContact O-OG1 2.93Å; E1776-T1779 PolarHBondContact O-N 3.13Å; T1779-V1782 PolarHBondContact O-N 3.4Å; T1779-Q1783 WeakPolarHBondContact O-CG 3.23Å; T1779-Q1783 PolarHBondContact O-N 3.44Å |
| 1780 | F | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 173 | 178.2 | -86.2 | 0 | 0 | 0 | 112.5 | L1733 R1734 L1737 E1776 A1777 H1778 V1782 Q1783 F1784 W1789 P1798 V1802 | L1733-F1780 HydrophobicContact CD2-CE2 3.99Å; L1733-F1780 HydrophobicContact CG-CE2 4.35Å; R1734-F1780 HydrophobicContact CG-CD2 3.7Å; R1734-F1780 HydrophobicContact CG-CE2 4.46Å; L1737-F1780 HydrophobicContact CD1-CE2 3.89Å; L1737-F1780 HydrophobicContact CD1-CZ 4.4Å; E1776-F1780 PolarHBondContact O-N 3.45Å; A1777-F1780 WeakPolarHBondContact O-CB 3.47Å; A1777-F1780 PolarHBondContact O-N 3.03Å; H1778-F1780 VanDerWaalsContact C-N 3.26Å; H1778-F1780 PolarHBondContact O-N 3.03Å; F1780-V1782 VanDerWaalsContact C-N 3.3Å; F1780-V1782 PolarHBondContact O-N 2.76Å; F1780-Q1783 PolarHBondContact O-N 3.04Å; F1780-F1784 HydrophobicContact CD2-CD2 4.14Å; F1780-F1784 HydrophobicContact CE2-CD2 4.05Å; F1780-F1784 HydrophobicContact CZ-CD2 4.49Å; F1780-F1784 PolarHBondContact O-N 3.17Å; F1780-W1789 HydrophobicContact CE1-CZ2 4.29Å; F1780-W1789 HydrophobicContact CZ-CH2 4.42Å; F1780-W1789 AromaticContact CZ-CZ2 3.73Å; F1780-W1789 HydrophobicContact CZ-CZ2 3.73Å; F1780-P1798 HydrophobicContact CZ-CB 4.19Å; F1780-V1802 HydrophobicContact CD1-CB 3.98Å; F1780-V1802 HydrophobicContact CD1-CG1 3.94Å; F1780-V1802 HydrophobicContact CD1-CG2 3.78Å; F1780-V1802 HydrophobicContact CD2-CG2 3.93Å; F1780-V1802 HydrophobicContact CE1-CB 4.04Å; F1780-V1802 HydrophobicContact CE1-CG1 4.49Å; F1780-V1802 HydrophobicContact CE1-CG2 3.78Å; F1780-V1802 HydrophobicContact CE2-CG2 3.93Å; F1780-V1802 HydrophobicContact CG-CB 4.46Å; F1780-V1802 HydrophobicContact CG-CG1 4.28Å; F1780-V1802 HydrophobicContact CG-CG2 3.87Å; F1780-V1802 HydrophobicContact CZ-CG2 3.85Å |
| 1781 | F | 93 | Very high | 87.9 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.8 | -20 | 179.5 | -67.3 | -60.5 | 0 | 0 | 0 | 113.9 | A1777 H1778 F1784 P1785 V1802 K1803 E1832 A1833 | A1777-F1781 WeakPolarHBondContact O-CD2 3.41Å; A1777-F1781 PolarHBondContact O-N 2.89Å; A1777-F1781 VanDerWaalsContact O-N 3.1Å; H1778-F1781 PolarHBondContact O-N 3.01Å; F1781-F1784 CarbonylContact O-C 3.36Å; F1781-P1785 WeakPolarHBondContact O-CA 3.22Å; F1781-V1802 HydrophobicContact CE2-CG1 3.86Å; F1781-V1802 HydrophobicContact CZ-CB 4.21Å; F1781-V1802 HydrophobicContact CZ-CG1 3.82Å; F1781-K1803 HydrophobicContact CE1-CG 4.17Å; F1781-K1803 HydrophobicContact CZ-CG 3.74Å; F1781-E1832 HydrophobicContact CB-CB 3.84Å; F1781-E1832 HydrophobicContact CD2-CB 4.49Å; F1781-E1832 HydrophobicContact CG-CB 4.15Å; F1781-A1833 HydrophobicContact CD2-CB 3.93Å; F1781-A1833 HydrophobicContact CE2-CB 4.26Å |
| 1782 | V | 90.8 | Very high | 86.7 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72.8 | -45.4 | 170.5 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | H1778 T1779 F1780 | H1778-V1782 VanDerWaalsContact CE1-CG2 3.41Å; H1778-V1782 WeakPolarHBondContact CE1-CG2 3.45Å; H1778-V1782 WeakPolarHBondContact O-CG2 3.39Å; H1778-V1782 PolarHBondContact O-N 2.82Å; T1779-V1782 PolarHBondContact O-N 3.4Å; F1780-V1782 VanDerWaalsContact C-N 3.3Å; F1780-V1782 PolarHBondContact O-N 2.76Å |
| 1783 | Q | 90.9 | Very high | 85.3 | Confident | 79 Ų | 79 | 45.3 Ų | 45.3 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 178.4 | -70.4 | -176.6 | 2.9 | 0 | 0 | 112.4 | R1734 T1779 F1780 P1785 | R1734-Q1783 VanDerWaalsContact NE-OE1 3.16Å; T1779-Q1783 WeakPolarHBondContact O-CG 3.23Å; T1779-Q1783 PolarHBondContact O-N 3.44Å; F1780-Q1783 PolarHBondContact O-N 3.04Å; Q1783-P1785 WeakPolarHBondContact O-CD 3.28Å |
| 1784 | F | 91.2 | Very high | 84.2 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -126.7 | 71.1 | -178.5 | -54.9 | -77 | 0 | 0 | 0 | 110.7 | R1734 L1737 Q1738 F1780 F1781 Y1788 W1789 | R1734-F1784 HydrophobicContact CB-CE2 4.02Å; R1734-F1784 HydrophobicContact CG-CD2 4.41Å; R1734-F1784 HydrophobicContact CG-CE2 3.9Å; L1737-F1784 HydrophobicContact CB-CE1 3.87Å; L1737-F1784 HydrophobicContact CB-CE2 4.1Å; L1737-F1784 HydrophobicContact CB-CZ 3.45Å; L1737-F1784 VanDerWaalsContact CB-CZ 3.45Å; L1737-F1784 HydrophobicContact CD1-CD2 4.49Å; L1737-F1784 HydrophobicContact CD1-CE2 4.23Å; L1737-F1784 HydrophobicContact CD1-CZ 4.31Å; Q1738-F1784 HydrophobicContact CG-CE1 4.49Å; Q1738-F1784 HydrophobicContact CG-CZ 3.73Å; F1780-F1784 HydrophobicContact CD2-CD2 4.14Å; F1780-F1784 HydrophobicContact CE2-CD2 4.05Å; F1780-F1784 HydrophobicContact CZ-CD2 4.49Å; F1780-F1784 PolarHBondContact O-N 3.17Å; F1781-F1784 CarbonylContact O-C 3.36Å; F1784-Y1788 HydrophobicContact CB-CD1 4.32Å; F1784-Y1788 AromaticContact CD1-CD1 3.86Å; F1784-Y1788 HydrophobicContact CD1-CD1 3.86Å; F1784-Y1788 HydrophobicContact CD1-CD2 4.33Å; F1784-Y1788 AromaticContact CD1-CE1 3.67Å; F1784-Y1788 HydrophobicContact CD1-CE1 3.67Å; F1784-Y1788 HydrophobicContact CD1-CE2 4.15Å; F1784-Y1788 HydrophobicContact CD1-CG 4.19Å; F1784-Y1788 AromaticContact CD1-CZ 3.83Å; F1784-Y1788 HydrophobicContact CE1-CE1 4.22Å; F1784-Y1788 HydrophobicContact CE1-CE2 4.48Å; F1784-W1789 HydrophobicContact CB-CZ2 3.64Å; F1784-W1789 HydrophobicContact CD1-CZ2 4.45Å; F1784-W1789 HydrophobicContact CG-CZ2 4.11Å; F1784-W1789 PolarHBondContact O-NE1 3.46Å; F1784-W1789 VanDerWaalsContact O-NE1 3.11Å |
| 1785 | P | 85.3 | Confident | 83.3 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 29% | 0.292 | 32% | 0.316 | S | S | . | . | trans | -59.6 | 157.8 | -178.6 | 24.5 | -33.5 | 0 | 0 | 0 | 111.2 | F1781 Q1783 S1787 Y1788 W1789 | F1781-P1785 WeakPolarHBondContact O-CA 3.22Å; Q1783-P1785 WeakPolarHBondContact O-CD 3.28Å; P1785-S1787 PolarHBondContact O-N 3.46Å; P1785-Y1788 WeakPolarHBondContact O-CB 3.48Å; P1785-Y1788 PolarHBondContact O-N 2.88Å; P1785-W1789 VanDerWaalsContact O-CD1 3.29Å | ||
| 1786 | P | 79.6 | Confident | 82.9 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -31.4 | 178 | -29.5 | 36 | 0 | 0 | 0 | 114.2 | Y1788 W1789 S1790 E1832 | P1786-Y1788 VanDerWaalsContact C-N 3.35Å; P1786-W1789 PolarHBondContact O-N 3.35Å; P1786-S1790 PolarHBondContact O-OG 2.92Å; P1786-E1832 HydrophobicContact CG-CG 4.39Å |
| 1787 | S | 81.3 | Confident | 82.7 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 57% | 0.573 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.7 | 174.6 | 51.2 | 0 | 0 | 0 | 0 | 114.5 | P1785 W1789 S1790 | P1785-S1787 PolarHBondContact O-N 3.46Å; S1787-W1789 VanDerWaalsContact C-N 3.27Å; S1787-W1789 PolarHBondContact O-N 3.41Å; S1787-S1790 WeakPolarHBondContact O-CB 3.43Å; S1787-S1790 PolarHBondContact O-N 3.04Å |
| 1788 | Y | 82.5 | Confident | 82.5 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.1 | -42.9 | 176.2 | 180 | -93.8 | 0 | 0 | 0 | 111 | F1784 P1785 P1786 S1790 S1791 V1794 | F1784-Y1788 HydrophobicContact CB-CD1 4.32Å; F1784-Y1788 AromaticContact CD1-CD1 3.86Å; F1784-Y1788 HydrophobicContact CD1-CD1 3.86Å; F1784-Y1788 HydrophobicContact CD1-CD2 4.33Å; F1784-Y1788 AromaticContact CD1-CE1 3.67Å; F1784-Y1788 HydrophobicContact CD1-CE1 3.67Å; F1784-Y1788 HydrophobicContact CD1-CE2 4.15Å; F1784-Y1788 HydrophobicContact CD1-CG 4.19Å; F1784-Y1788 AromaticContact CD1-CZ 3.83Å; F1784-Y1788 HydrophobicContact CE1-CE1 4.22Å; F1784-Y1788 HydrophobicContact CE1-CE2 4.48Å; P1785-Y1788 WeakPolarHBondContact O-CB 3.48Å; P1785-Y1788 PolarHBondContact O-N 2.88Å; P1786-Y1788 VanDerWaalsContact C-N 3.35Å; Y1788-S1790 VanDerWaalsContact C-N 3.3Å; Y1788-S1790 PolarHBondContact O-N 3.45Å; Y1788-S1791 PolarHBondContact O-OG 3.33Å; Y1788-V1794 HydrophobicContact CE1-CB 4.32Å; Y1788-V1794 HydrophobicContact CE1-CG2 4.19Å |
| 1789 | W | 82.2 | Confident | 82.3 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -77.2 | -14.7 | -177.9 | -50.5 | 95.8 | 0 | 0 | 0 | 113.5 | L1737 F1780 F1784 P1785 P1786 S1787 S1791 V1794 P1795 D1796 P1798 C1799 | L1737-W1789 HydrophobicContact CD1-CH2 3.92Å; L1737-W1789 HydrophobicContact CD1-CZ2 4.47Å; L1737-W1789 HydrophobicContact CD2-CH2 4.18Å; F1780-W1789 HydrophobicContact CE1-CZ2 4.29Å; F1780-W1789 HydrophobicContact CZ-CH2 4.42Å; F1780-W1789 AromaticContact CZ-CZ2 3.73Å; F1780-W1789 HydrophobicContact CZ-CZ2 3.73Å; F1784-W1789 HydrophobicContact CB-CZ2 3.64Å; F1784-W1789 HydrophobicContact CD1-CZ2 4.45Å; F1784-W1789 HydrophobicContact CG-CZ2 4.11Å; F1784-W1789 PolarHBondContact O-NE1 3.46Å; F1784-W1789 VanDerWaalsContact O-NE1 3.11Å; P1785-W1789 VanDerWaalsContact O-CD1 3.29Å; P1786-W1789 PolarHBondContact O-N 3.35Å; S1787-W1789 VanDerWaalsContact C-N 3.27Å; S1787-W1789 PolarHBondContact O-N 3.41Å; W1789-S1791 VanDerWaalsContact C-N 3.27Å; W1789-S1791 PolarHBondContact O-N 3.25Å; W1789-V1794 HydrophobicContact CE3-CB 4.48Å; W1789-V1794 HydrophobicContact CE3-CG1 4.4Å; W1789-V1794 HydrophobicContact CZ3-CB 4.25Å; W1789-V1794 HydrophobicContact CZ3-CG1 3.72Å; W1789-P1795 VanDerWaalsContact CZ3-O 3.3Å; W1789-P1795 WeakPolarHBondContact CZ3-O 3.49Å; W1789-D1796 HydrophobicContact CB-CB 4.25Å; W1789-D1796 HydrophobicContact CE3-CB 4.45Å; W1789-P1798 HydrophobicContact CH2-CB 3.73Å; W1789-P1798 HydrophobicContact CH2-CG 3.9Å; W1789-P1798 HydrophobicContact CZ2-CB 4.39Å; W1789-P1798 HydrophobicContact CZ3-CB 4.32Å; W1789-P1798 HydrophobicContact CZ3-CG 4.08Å; W1789-C1799 HydrophobicContact CD2-CB 3.77Å; W1789-C1799 HydrophobicContact CE3-CB 4.46Å; W1789-C1799 HydrophobicContact CG-CB 3.96Å; W1789-C1799 HydrophobicContact CZ2-CB 4.07Å |
| 1790 | S | 74.1 | Confident | 82.2 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 69% | 0.685 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -73.6 | -17.9 | 178.5 | -49.4 | 0 | 0 | 0 | 0 | 113.3 | P1786 S1787 Y1788 G1792 | P1786-S1790 PolarHBondContact O-OG 2.92Å; S1787-S1790 WeakPolarHBondContact O-CB 3.43Å; S1787-S1790 PolarHBondContact O-N 3.04Å; Y1788-S1790 VanDerWaalsContact C-N 3.3Å; Y1788-S1790 PolarHBondContact O-N 3.45Å; S1790-G1792 PolarHBondContact O-N 2.93Å |
| 1791 | S | 66 | Low | 82.1 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 56% | 0.559 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -70.7 | -14.5 | -178.1 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | Y1788 W1789 S1793 | Y1788-S1791 PolarHBondContact O-OG 3.33Å; W1789-S1791 VanDerWaalsContact C-N 3.27Å; W1789-S1791 PolarHBondContact O-N 3.25Å; S1791-S1793 PolarHBondContact O-N 3.06Å; S1791-S1793 PolarHBondContact OG-OG 3.18Å |
| 1792 | G | 65.1 | Low | 82.2 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 76.4 | -9.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1790 | S1790-G1792 PolarHBondContact O-N 2.93Š|
| 1793 | S | 65 | Low | 82.2 | Confident | 97 Ų | 97 | 52 Ų | 52 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -78 | -22.1 | -177.8 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | S1791 | S1791-S1793 PolarHBondContact O-N 3.06Å; S1791-S1793 PolarHBondContact OG-OG 3.18Å |
| 1794 | V | 66.7 | Low | 82.3 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -123.8 | 124.9 | 178.5 | -170 | 0 | 0 | 0 | 0 | 109.5 | L1737 Y1788 W1789 D1796 | L1737-V1794 HydrophobicContact CD2-CG1 4.33Å; Y1788-V1794 HydrophobicContact CE1-CB 4.32Å; Y1788-V1794 HydrophobicContact CE1-CG2 4.19Å; W1789-V1794 HydrophobicContact CE3-CB 4.48Å; W1789-V1794 HydrophobicContact CE3-CG1 4.4Å; W1789-V1794 HydrophobicContact CZ3-CB 4.25Å; W1789-V1794 HydrophobicContact CZ3-CG1 3.72Å; V1794-D1796 PolarHBondContact O-N 3.32Å |
| 1795 | P | 74.1 | Confident | 82.3 | Confident | 78 Ų | 78 | 51.5 Ų | 51.5 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | trans | -54.4 | 133.1 | 178.5 | -24.6 | 32.5 | 0 | 0 | 0 | 111.7 | W1789 V1797 P1798 | W1789-P1795 VanDerWaalsContact CZ3-O 3.3Å; W1789-P1795 WeakPolarHBondContact CZ3-O 3.49Å; P1795-V1797 HydrophobicContact CB-CG2 4.23Å; P1795-V1797 PolarHBondContact O-N 3.16Å; P1795-P1798 WeakPolarHBondContact O-CD 3.43Å | ||
| 1796 | D | 83.3 | Confident | 82.6 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -74.1 | 8.4 | -176.5 | 74.7 | -24.7 | 0 | 0 | 0 | 114.6 | W1789 V1794 C1799 R1800 | W1789-D1796 HydrophobicContact CB-CB 4.25Å; W1789-D1796 HydrophobicContact CE3-CB 4.45Å; V1794-D1796 PolarHBondContact O-N 3.32Å; D1796-C1799 WeakPolarHBondContact O-CB 3.28Å; D1796-C1799 PolarHBondContact O-N 2.87Å; D1796-R1800 VanDerWaalsContact CG-CZ 3.44Å; D1796-R1800 VanDerWaalsContact CG-NE 3.27Å; D1796-R1800 WeakPolarHBondContact O-CG 3.4Å; D1796-R1800 PolarHBondContact O-N 3.35Å; D1796-R1800 IonicContact OD1-CZ 3.86Å; D1796-R1800 IonicContact OD1-NE 2.84Å; D1796-R1800 PolarHBondContact OD1-NE 2.91Å; D1796-R1800 IonicContact OD1-NH1 3.58Å; D1796-R1800 IonicContact OD1-NH2 3.13Å; D1796-R1800 PolarHBondContact OD1-NH2 2.65Å; D1796-R1800 IonicContact OD2-CZ 3.23Å; D1796-R1800 IonicContact OD2-NE 3.24Å; D1796-R1800 PolarHBondContact OD2-NE 3.07Å; D1796-R1800 IonicContact OD2-NH2 2.72Å; D1796-R1800 PolarHBondContact OD2-NH2 2.87Å |
| 1797 | V | 89.4 | Confident | 83.2 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 112.7 | L1751 W1755 P1795 C1799 R1800 T1801 | L1751-V1797 HydrophobicContact CD1-CB 4.45Å; L1751-V1797 HydrophobicContact CD1-CG1 3.87Å; W1755-V1797 HydrophobicContact CH2-CG1 4.27Å; W1755-V1797 HydrophobicContact CZ2-CG1 3.78Å; P1795-V1797 HydrophobicContact CB-CG2 4.23Å; P1795-V1797 PolarHBondContact O-N 3.16Å; V1797-C1799 PolarHBondContact O-N 3.5Å; V1797-R1800 PolarHBondContact O-N 3.31Å; V1797-T1801 WeakPolarHBondContact O-CB 3.27Å; V1797-T1801 PolarHBondContact O-N 3.46Å; V1797-T1801 PolarHBondContact O-OG1 2.94Å |
| 1798 | P | 89.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 173.9 | -23 | 35.3 | 0 | 0 | 0 | 112.5 | L1733 L1737 L1747 L1751 F1780 W1789 P1795 R1800 T1801 V1802 | L1733-P1798 HydrophobicContact CD1-CB 4.18Å; L1733-P1798 HydrophobicContact CD2-CB 4.27Å; L1737-P1798 HydrophobicContact CD1-CB 3.81Å; L1737-P1798 HydrophobicContact CD1-CG 4.18Å; L1737-P1798 HydrophobicContact CD2-CB 4.48Å; L1737-P1798 HydrophobicContact CD2-CG 3.93Å; L1747-P1798 HydrophobicContact CD1-CG 4.36Å; L1751-P1798 HydrophobicContact CD2-CB 4.47Å; F1780-P1798 HydrophobicContact CZ-CB 4.19Å; W1789-P1798 HydrophobicContact CH2-CB 3.73Å; W1789-P1798 HydrophobicContact CH2-CG 3.9Å; W1789-P1798 HydrophobicContact CZ2-CB 4.39Å; W1789-P1798 HydrophobicContact CZ3-CB 4.32Å; W1789-P1798 HydrophobicContact CZ3-CG 4.08Å; P1795-P1798 WeakPolarHBondContact O-CD 3.43Å; P1798-R1800 PolarHBondContact O-N 2.99Å; P1798-T1801 WeakPolarHBondContact O-CB 3.43Å; P1798-T1801 PolarHBondContact O-N 3.27Å; P1798-T1801 VanDerWaalsContact O-N 3.16Å; P1798-V1802 WeakPolarHBondContact O-CG2 3.27Å; P1798-V1802 PolarHBondContact O-N 2.98Å |
| 1799 | C | 90 | Very high | 84 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | W1789 D1796 V1797 T1801 V1802 K1803 | W1789-C1799 HydrophobicContact CD2-CB 3.77Å; W1789-C1799 HydrophobicContact CE3-CB 4.46Å; W1789-C1799 HydrophobicContact CG-CB 3.96Å; W1789-C1799 HydrophobicContact CZ2-CB 4.07Å; D1796-C1799 WeakPolarHBondContact O-CB 3.28Å; D1796-C1799 PolarHBondContact O-N 2.87Å; V1797-C1799 PolarHBondContact O-N 3.5Å; C1799-T1801 VanDerWaalsContact C-N 3.28Å; C1799-T1801 PolarHBondContact O-N 3.28Å; C1799-V1802 PolarHBondContact O-N 3.45Å; C1799-K1803 WeakPolarHBondContact O-CB 3.43Å; C1799-K1803 WeakPolarHBondContact O-CG 3.49Å; C1799-K1803 PolarHBondContact O-N 3.07Å |
| 1800 | R | 91.1 | Very high | 84.5 | Confident | 103 Ų | 103 | 42.9 Ų | 42.9 | 39% | 0.389 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | 175.3 | -68.5 | -174 | -164.8 | 157.2 | 15.3 | 112.1 | D1796 V1797 P1798 K1803 T1804 K1882 | D1796-R1800 VanDerWaalsContact CG-CZ 3.44Å; D1796-R1800 VanDerWaalsContact CG-NE 3.27Å; D1796-R1800 WeakPolarHBondContact O-CG 3.4Å; D1796-R1800 PolarHBondContact O-N 3.35Å; D1796-R1800 IonicContact OD1-CZ 3.86Å; D1796-R1800 IonicContact OD1-NE 2.84Å; D1796-R1800 PolarHBondContact OD1-NE 2.91Å; D1796-R1800 IonicContact OD1-NH1 3.58Å; D1796-R1800 IonicContact OD1-NH2 3.13Å; D1796-R1800 PolarHBondContact OD1-NH2 2.65Å; D1796-R1800 IonicContact OD2-CZ 3.23Å; D1796-R1800 IonicContact OD2-NE 3.24Å; D1796-R1800 PolarHBondContact OD2-NE 3.07Å; D1796-R1800 IonicContact OD2-NH2 2.72Å; D1796-R1800 PolarHBondContact OD2-NH2 2.87Å; V1797-R1800 PolarHBondContact O-N 3.31Å; P1798-R1800 PolarHBondContact O-N 2.99Å; R1800-K1803 PolarHBondContact O-N 3.35Å; R1800-T1804 WeakPolarHBondContact O-CB 3.4Å; R1800-T1804 PolarHBondContact O-N 3.41Å; R1800-T1804 PolarHBondContact O-OG1 3.33Å; R1800-K1882 VanDerWaalsContact CZ-NZ 3.29Å |
| 1801 | T | 93.9 | Very high | 85.2 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -48.5 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 111 | L1751 I1754 W1755 V1797 P1798 C1799 K1803 T1804 I1805 | L1751-T1801 HydrophobicContact CD2-CG2 4.12Å; I1754-T1801 HydrophobicContact CB-CG2 4.28Å; I1754-T1801 HydrophobicContact CG2-CG2 3.5Å; W1755-T1801 VanDerWaalsContact NE1-CG2 3.34Å; W1755-T1801 PolarHBondContact NE1-OG1 3.23Å; V1797-T1801 WeakPolarHBondContact O-CB 3.27Å; V1797-T1801 PolarHBondContact O-N 3.46Å; V1797-T1801 PolarHBondContact O-OG1 2.94Å; P1798-T1801 WeakPolarHBondContact O-CB 3.43Å; P1798-T1801 PolarHBondContact O-N 3.27Å; P1798-T1801 VanDerWaalsContact O-N 3.16Å; C1799-T1801 VanDerWaalsContact C-N 3.28Å; C1799-T1801 PolarHBondContact O-N 3.28Å; T1801-K1803 PolarHBondContact O-N 3.03Å; T1801-T1804 WeakPolarHBondContact O-CA 3.15Å; T1801-T1804 WeakPolarHBondContact O-CB 3.48Å; T1801-T1804 PolarHBondContact O-N 2.69Å; T1801-I1805 PolarHBondContact O-N 3.44Å |
| 1802 | V | 93.6 | Very high | 86.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 176 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | L1730 L1733 A1777 F1780 F1781 P1798 C1799 T1804 I1805 V1806 | L1730-V1802 HydrophobicContact CD2-CG2 3.87Å; L1733-V1802 HydrophobicContact CD2-CG2 4.12Å; A1777-V1802 HydrophobicContact CB-CG1 4.16Å; F1780-V1802 HydrophobicContact CD1-CB 3.98Å; F1780-V1802 HydrophobicContact CD1-CG1 3.94Å; F1780-V1802 HydrophobicContact CD1-CG2 3.78Å; F1780-V1802 HydrophobicContact CD2-CG2 3.93Å; F1780-V1802 HydrophobicContact CE1-CB 4.04Å; F1780-V1802 HydrophobicContact CE1-CG1 4.49Å; F1780-V1802 HydrophobicContact CE1-CG2 3.78Å; F1780-V1802 HydrophobicContact CE2-CG2 3.93Å; F1780-V1802 HydrophobicContact CG-CB 4.46Å; F1780-V1802 HydrophobicContact CG-CG1 4.28Å; F1780-V1802 HydrophobicContact CG-CG2 3.87Å; F1780-V1802 HydrophobicContact CZ-CG2 3.85Å; F1781-V1802 HydrophobicContact CE2-CG1 3.86Å; F1781-V1802 HydrophobicContact CZ-CB 4.21Å; F1781-V1802 HydrophobicContact CZ-CG1 3.82Å; P1798-V1802 WeakPolarHBondContact O-CG2 3.27Å; P1798-V1802 PolarHBondContact O-N 2.98Å; C1799-V1802 PolarHBondContact O-N 3.45Å; V1802-T1804 VanDerWaalsContact C-N 3.28Å; V1802-T1804 PolarHBondContact O-N 2.96Å; V1802-I1805 WeakPolarHBondContact O-CB 3.48Å; V1802-I1805 PolarHBondContact O-N 3.11Å; V1802-V1806 WeakPolarHBondContact O-CG2 3.44Å; V1802-V1806 PolarHBondContact O-N 3.36Å; V1802-V1806 VanDerWaalsContact O-N 3.09Å |
| 1803 | K | 92.2 | Very high | 87.4 | Confident | 59 Ų | 59 | 42.1 Ų | 42.1 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -39.1 | 171.4 | -76.2 | 177.1 | 178.5 | 166.5 | 0 | 112.3 | F1781 C1799 R1800 T1801 V1806 H1807 Y1836 | F1781-K1803 HydrophobicContact CE1-CG 4.17Å; F1781-K1803 HydrophobicContact CZ-CG 3.74Å; C1799-K1803 WeakPolarHBondContact O-CB 3.43Å; C1799-K1803 WeakPolarHBondContact O-CG 3.49Å; C1799-K1803 PolarHBondContact O-N 3.07Å; R1800-K1803 PolarHBondContact O-N 3.35Å; T1801-K1803 PolarHBondContact O-N 3.03Å; K1803-V1806 PolarHBondContact O-N 2.83Å; K1803-H1807 WeakPolarHBondContact O-CB 3.3Å; K1803-H1807 PolarHBondContact O-N 3.17Å; K1803-Y1836 HydrophobicContact CB-CD1 4.36Å; K1803-Y1836 HydrophobicContact CB-CE1 3.72Å; K1803-Y1836 HydrophobicContact CB-CE2 4.37Å; K1803-Y1836 HydrophobicContact CD-CD2 4.41Å; K1803-Y1836 HydrophobicContact CD-CE2 4Å; K1803-Y1836 HydrophobicContact CG-CD1 4.26Å; K1803-Y1836 HydrophobicContact CG-CD2 4.36Å; K1803-Y1836 HydrophobicContact CG-CE1 4.03Å; K1803-Y1836 HydrophobicContact CG-CE2 4.11Å; K1803-Y1836 HydrophobicContact CG-CG 4.42Å; K1803-Y1836 WeakPolarHBondContact O-CE1 3.34Å |
| 1804 | T | 91.7 | Very high | 88.4 | Confident | 72 Ų | 72 | 39 Ų | 39 | 44% | 0.442 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.4 | -39.6 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | R1800 T1801 V1802 H1807 L1808 | R1800-T1804 WeakPolarHBondContact O-CB 3.4Å; R1800-T1804 PolarHBondContact O-N 3.41Å; R1800-T1804 PolarHBondContact O-OG1 3.33Å; T1801-T1804 WeakPolarHBondContact O-CA 3.15Å; T1801-T1804 WeakPolarHBondContact O-CB 3.48Å; T1801-T1804 PolarHBondContact O-N 2.69Å; V1802-T1804 VanDerWaalsContact C-N 3.28Å; V1802-T1804 PolarHBondContact O-N 2.96Å; T1804-H1807 PolarHBondContact O-N 3.39Å; T1804-L1808 HydrophobicContact CG2-CD1 4.18Å; T1804-L1808 HydrophobicContact CG2-CG 4.47Å; T1804-L1808 WeakPolarHBondContact O-CB 3.38Å; T1804-L1808 VanDerWaalsContact O-CG 3.32Å; T1804-L1808 WeakPolarHBondContact O-CG 3.45Å; T1804-L1808 PolarHBondContact O-N 2.92Å |
| 1805 | I | 91.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 172.7 | -64 | 166.4 | 0 | 0 | 0 | 110 | I1726 L1730 I1754 W1757 T1801 V1802 H1807 L1808 L1809 | I1726-I1805 HydrophobicContact CD1-CD1 4.09Å; L1730-I1805 HydrophobicContact CD2-CD1 3.99Å; I1754-I1805 HydrophobicContact CG2-CD1 3.65Å; I1754-I1805 HydrophobicContact CG2-CG1 4.31Å; W1757-I1805 HydrophobicContact CZ3-CG2 4.11Å; T1801-I1805 PolarHBondContact O-N 3.44Å; V1802-I1805 WeakPolarHBondContact O-CB 3.48Å; V1802-I1805 PolarHBondContact O-N 3.11Å; I1805-H1807 VanDerWaalsContact C-N 3.3Å; I1805-H1807 PolarHBondContact O-N 3.44Å; I1805-L1808 WeakPolarHBondContact O-CB 3.46Å; I1805-L1808 PolarHBondContact O-N 2.88Å; I1805-L1808 VanDerWaalsContact O-N 3.14Å; I1805-L1809 HydrophobicContact CG2-CD1 4.22Å; I1805-L1809 HydrophobicContact CG2-CG 4.49Å; I1805-L1809 WeakPolarHBondContact O-CG 3.37Å; I1805-L1809 PolarHBondContact O-N 2.96Å |
| 1806 | V | 92 | Very high | 90.1 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 178.9 | 177.6 | 0 | 0 | 0 | 0 | 111 | A1777 V1802 K1803 L1808 L1809 V1810 Y1836 V1837 | A1777-V1806 HydrophobicContact CB-CG2 4.19Å; V1802-V1806 WeakPolarHBondContact O-CG2 3.44Å; V1802-V1806 PolarHBondContact O-N 3.36Å; V1802-V1806 VanDerWaalsContact O-N 3.09Å; K1803-V1806 PolarHBondContact O-N 2.83Å; V1806-L1808 PolarHBondContact O-N 3.26Å; V1806-L1809 PolarHBondContact O-N 3.26Å; V1806-V1810 VanDerWaalsContact O-CG2 3.32Å; V1806-V1810 WeakPolarHBondContact O-CG2 3.4Å; V1806-V1810 PolarHBondContact O-N 3.13Å; V1806-Y1836 HydrophobicContact CB-CD1 3.99Å; V1806-Y1836 HydrophobicContact CB-CE1 4.38Å; V1806-Y1836 HydrophobicContact CG1-CD1 3.79Å; V1806-Y1836 HydrophobicContact CG1-CE1 4.49Å; V1806-V1837 HydrophobicContact CG1-CB 4.49Å; V1806-V1837 HydrophobicContact CG1-CG2 3.42Å; V1806-V1837 VanDerWaalsContact CG1-CG2 3.42Å |
| 1807 | H | 91.9 | Very high | 90.1 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 175.8 | 178.6 | 78.6 | 0 | 0 | 0 | 112.5 | K1803 T1804 I1805 L1809 V1810 K1811 Y1836 | K1803-H1807 WeakPolarHBondContact O-CB 3.3Å; K1803-H1807 PolarHBondContact O-N 3.17Å; T1804-H1807 PolarHBondContact O-N 3.39Å; I1805-H1807 VanDerWaalsContact C-N 3.3Å; I1805-H1807 PolarHBondContact O-N 3.44Å; H1807-L1809 VanDerWaalsContact C-N 3.35Å; H1807-L1809 PolarHBondContact O-N 3.25Å; H1807-V1810 PolarHBondContact O-N 3.3Å; H1807-K1811 WeakPolarHBondContact O-CB 3.35Å; H1807-K1811 PolarHBondContact O-N 2.83Å; H1807-Y1836 HydrophobicContact CB-CE1 4.45Å |
| 1808 | L | 90.6 | Very high | 90.1 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 176.7 | -76.5 | 167.8 | 0 | 0 | 0 | 111.7 | T1804 I1805 V1806 K1811 H1812 | T1804-L1808 HydrophobicContact CG2-CD1 4.18Å; T1804-L1808 HydrophobicContact CG2-CG 4.47Å; T1804-L1808 WeakPolarHBondContact O-CB 3.38Å; T1804-L1808 VanDerWaalsContact O-CG 3.32Å; T1804-L1808 WeakPolarHBondContact O-CG 3.45Å; T1804-L1808 PolarHBondContact O-N 2.92Å; I1805-L1808 WeakPolarHBondContact O-CB 3.46Å; I1805-L1808 PolarHBondContact O-N 2.88Å; I1805-L1808 VanDerWaalsContact O-N 3.14Å; V1806-L1808 PolarHBondContact O-N 3.26Å; L1808-K1811 PolarHBondContact O-N 2.79Å; L1808-H1812 PolarHBondContact O-CD2 3.1Å; L1808-H1812 VanDerWaalsContact O-CD2 3.24Å; L1808-H1812 PolarHBondContact O-N 2.9Å |
| 1809 | L | 90.2 | Very high | 90 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 175.2 | -63.4 | 170.6 | 0 | 0 | 0 | 110.9 | L1768 L1773 I1805 V1806 H1807 K1811 H1812 L1813 L1818 | L1768-L1809 HydrophobicContact CD1-CD2 3.76Å; L1773-L1809 HydrophobicContact CD2-CD1 3.44Å; L1773-L1809 VanDerWaalsContact CD2-CD1 3.44Å; L1773-L1809 HydrophobicContact CD2-CD2 3.9Å; L1773-L1809 HydrophobicContact CD2-CG 4.23Å; L1773-L1809 HydrophobicContact CG-CD1 4Å; I1805-L1809 HydrophobicContact CG2-CD1 4.22Å; I1805-L1809 HydrophobicContact CG2-CG 4.49Å; I1805-L1809 WeakPolarHBondContact O-CG 3.37Å; I1805-L1809 PolarHBondContact O-N 2.96Å; V1806-L1809 PolarHBondContact O-N 3.26Å; H1807-L1809 VanDerWaalsContact C-N 3.35Å; H1807-L1809 PolarHBondContact O-N 3.25Å; L1809-K1811 VanDerWaalsContact C-N 3.31Å; L1809-K1811 PolarHBondContact O-N 2.9Å; L1809-H1812 PolarHBondContact O-N 3.14Å; L1809-L1813 HydrophobicContact CD2-CD1 4.25Å; L1809-L1813 WeakPolarHBondContact O-CB 3.45Å; L1809-L1813 PolarHBondContact O-N 2.97Å; L1809-L1818 HydrophobicContact CB-CD1 3.75Å; L1809-L1818 HydrophobicContact CB-CD2 4.05Å; L1809-L1818 HydrophobicContact CD1-CD2 4.46Å |
| 1810 | V | 91.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | V1806 H1807 H1812 G1814 A1815 L1818 V1837 C1840 L1844 | V1806-V1810 VanDerWaalsContact O-CG2 3.32Å; V1806-V1810 WeakPolarHBondContact O-CG2 3.4Å; V1806-V1810 PolarHBondContact O-N 3.13Å; H1807-V1810 PolarHBondContact O-N 3.3Å; V1810-H1812 VanDerWaalsContact C-N 3.32Å; V1810-H1812 PolarHBondContact O-N 3.12Å; V1810-G1814 WeakPolarHBondContact O-CA 3.22Å; V1810-G1814 PolarHBondContact O-N 2.98Å; V1810-A1815 HydrophobicContact CG1-CB 3.93Å; V1810-L1818 HydrophobicContact CB-CD1 4.22Å; V1810-L1818 HydrophobicContact CG2-CD1 3.53Å; V1810-V1837 HydrophobicContact CG2-CB 4.35Å; V1810-V1837 HydrophobicContact CG2-CG1 4Å; V1810-V1837 HydrophobicContact CG2-CG2 4.28Å; V1810-C1840 HydrophobicContact CB-CB 4.08Å; V1810-C1840 HydrophobicContact CG1-CB 3.93Å; V1810-C1840 HydrophobicContact CG2-CB 4Å; V1810-L1844 HydrophobicContact CB-CD1 4.39Å; V1810-L1844 HydrophobicContact CG1-CD1 3.63Å |
| 1811 | K | 90.2 | Very high | 89.8 | Confident | 125 Ų | 125 | 45.6 Ų | 45.6 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 178.9 | -178.4 | -179.3 | 178.2 | -179.3 | 0 | 112.9 | H1807 L1808 L1809 | H1807-K1811 WeakPolarHBondContact O-CB 3.35Å; H1807-K1811 PolarHBondContact O-N 2.83Å; L1808-K1811 PolarHBondContact O-N 2.79Å; L1809-K1811 VanDerWaalsContact C-N 3.31Å; L1809-K1811 PolarHBondContact O-N 2.9Å |
| 1812 | H | 89.5 | Confident | 89.5 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 36% | 0.356 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -99.3 | -27.4 | -173 | -73.9 | -68.1 | 0 | 0 | 0 | 114.9 | V1765 L1808 L1809 V1810 | V1765-H1812 HydrophobicContact CG2-CB 4.02Å; L1808-H1812 PolarHBondContact O-CD2 3.1Å; L1808-H1812 VanDerWaalsContact O-CD2 3.24Å; L1808-H1812 PolarHBondContact O-N 2.9Å; L1809-H1812 PolarHBondContact O-N 3.14Å; V1810-H1812 VanDerWaalsContact C-N 3.32Å; V1810-H1812 PolarHBondContact O-N 3.12Å |
| 1813 | L | 87.3 | Confident | 89.2 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -108.4 | -16.6 | -179.2 | -67.1 | 165.3 | 0 | 0 | 0 | 113.3 | V1765 L1770 L1809 K1817 L1818 | V1765-L1813 HydrophobicContact CG1-CD2 4.41Å; V1765-L1813 HydrophobicContact CG2-CD1 3.73Å; V1765-L1813 HydrophobicContact CG2-CD2 3.87Å; V1765-L1813 HydrophobicContact CG2-CG 3.57Å; L1770-L1813 HydrophobicContact CD1-CD1 3.85Å; L1770-L1813 HydrophobicContact CD2-CD1 3.36Å; L1770-L1813 HydrophobicContact CG-CD1 4.26Å; L1809-L1813 HydrophobicContact CD2-CD1 4.25Å; L1809-L1813 WeakPolarHBondContact O-CB 3.45Å; L1809-L1813 PolarHBondContact O-N 2.97Å; L1813-K1817 HydrophobicContact CB-CD 4.32Å; L1813-K1817 HydrophobicContact CD2-CD 4.16Å; L1813-K1817 WeakPolarHBondContact O-CB 3.5Å; L1813-L1818 HydrophobicContact CD1-CD2 4.24Å |
| 1814 | G | 86.7 | Confident | 89 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | trans | 80.9 | 148.1 | -169 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1810 L1818 | V1810-G1814 WeakPolarHBondContact O-CA 3.22Å; V1810-G1814 PolarHBondContact O-N 2.98Å; G1814-L1818 PolarHBondContact O-N 3.4Å | ||
| 1815 | A | 88 | Confident | 88.9 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -36.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1810 K1817 L1818 L1819 V1837 D1841 | V1810-A1815 HydrophobicContact CG1-CB 3.93Å; A1815-K1817 VanDerWaalsContact C-N 3.33Å; A1815-K1817 PolarHBondContact O-N 3.02Å; A1815-L1818 PolarHBondContact O-N 2.99Å; A1815-L1818 VanDerWaalsContact O-N 3.14Å; A1815-L1819 WeakPolarHBondContact O-CB 3.36Å; A1815-L1819 VanDerWaalsContact O-CG 3.27Å; A1815-L1819 WeakPolarHBondContact O-CG 3.38Å; A1815-L1819 PolarHBondContact O-N 2.51Å; A1815-V1837 HydrophobicContact CB-CG1 4.09Å; A1815-D1841 HydrophobicContact CB-CB 3.34Å; A1815-D1841 WeakPolarHBondContact CB-OD1 3.4Å |
| 1816 | E | 86.8 | Confident | 88.5 | Confident | 151 Ų | 151 | 57.8 Ų | 57.8 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.1 | -46.9 | 179.6 | -173.8 | 176.3 | -178.6 | 0 | 0 | 111.4 | L1818 L1819 A1820 | E1816-L1818 PolarHBondContact O-N 3.37Å; E1816-L1819 PolarHBondContact O-N 3.3Å; E1816-A1820 PolarHBondContact O-N 3.37Å; E1816-A1820 VanDerWaalsContact O-N 3.12Å |
| 1817 | K | 85.3 | Confident | 88.2 | Confident | 105 Ų | 105 | 62.6 Ų | 62.6 | 46% | 0.457 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.2 | -170.3 | 170.5 | 178.8 | 178.5 | 0 | 111.5 | L1770 L1813 A1815 A1820 H1821 | L1770-K1817 HydrophobicContact CD1-CG 4.17Å; L1813-K1817 HydrophobicContact CB-CD 4.32Å; L1813-K1817 HydrophobicContact CD2-CD 4.16Å; L1813-K1817 WeakPolarHBondContact O-CB 3.5Å; A1815-K1817 VanDerWaalsContact C-N 3.33Å; A1815-K1817 PolarHBondContact O-N 3.02Å; K1817-A1820 PolarHBondContact O-N 3.23Å; K1817-H1821 PolarHBondContact O-CD2 3.36Å |
| 1818 | L | 87.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 178.4 | -69.7 | 165.8 | 0 | 0 | 0 | 112.6 | L1770 L1774 L1809 V1810 L1813 G1814 A1815 E1816 A1820 H1821 V1837 | L1770-L1818 HydrophobicContact CB-CD2 4.29Å; L1770-L1818 HydrophobicContact CD1-CD2 4.12Å; L1770-L1818 HydrophobicContact CD2-CD2 4.13Å; L1770-L1818 HydrophobicContact CG-CD2 4.39Å; L1774-L1818 HydrophobicContact CD1-CB 4.34Å; L1774-L1818 HydrophobicContact CD1-CD2 4.47Å; L1774-L1818 WeakPolarHBondContact CD1-O 3.32Å; L1809-L1818 HydrophobicContact CB-CD1 3.75Å; L1809-L1818 HydrophobicContact CB-CD2 4.05Å; L1809-L1818 HydrophobicContact CD1-CD2 4.46Å; V1810-L1818 HydrophobicContact CB-CD1 4.22Å; V1810-L1818 HydrophobicContact CG2-CD1 3.53Å; L1813-L1818 HydrophobicContact CD1-CD2 4.24Å; G1814-L1818 PolarHBondContact O-N 3.4Å; A1815-L1818 PolarHBondContact O-N 2.99Å; A1815-L1818 VanDerWaalsContact O-N 3.14Å; E1816-L1818 PolarHBondContact O-N 3.37Å; L1818-A1820 PolarHBondContact O-N 2.99Å; L1818-H1821 PolarHBondContact O-N 3.27Å; L1818-V1837 HydrophobicContact CB-CG1 4.23Å |
| 1819 | L | 88 | Confident | 87.4 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.7 | -22.2 | 179.2 | -68.8 | 173 | 0 | 0 | 0 | 112.7 | A1815 E1816 H1821 T1822 I1834 V1837 K1838 | A1815-L1819 WeakPolarHBondContact O-CB 3.36Å; A1815-L1819 VanDerWaalsContact O-CG 3.27Å; A1815-L1819 WeakPolarHBondContact O-CG 3.38Å; A1815-L1819 PolarHBondContact O-N 2.51Å; E1816-L1819 PolarHBondContact O-N 3.3Å; L1819-H1821 PolarHBondContact O-N 3Å; L1819-T1822 WeakPolarHBondContact O-CG2 3.48Å; L1819-I1834 HydrophobicContact CD2-CG2 3.69Å; L1819-V1837 HydrophobicContact CD2-CB 4.45Å; L1819-V1837 HydrophobicContact CD2-CG1 3.87Å; L1819-V1837 HydrophobicContact CG-CG1 3.91Å; L1819-K1838 HydrophobicContact CD1-CG 4.08Å; L1819-K1838 HydrophobicContact CD2-CG 4.13Å |
| 1820 | A | 88.9 | Confident | 87.2 | Confident | 80 Ų | 80 | 76 Ų | 76 | 66% | 0.661 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1816 K1817 L1818 | E1816-A1820 PolarHBondContact O-N 3.37Å; E1816-A1820 VanDerWaalsContact O-N 3.12Å; K1817-A1820 PolarHBondContact O-N 3.23Å; L1818-A1820 PolarHBondContact O-N 2.99Å |
| 1821 | H | 87.5 | Confident | 87.2 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 31% | 0.31 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 37.5 | -175 | -71.2 | -73.3 | 0 | 0 | 0 | 113 | L1770 S1771 L1774 K1817 L1818 L1819 | L1770-H1821 HydrophobicContact CB-CB 3.91Å; S1771-H1821 VanDerWaalsContact CA-O 3.29Å; S1771-H1821 WeakPolarHBondContact CA-O 3.35Å; S1771-H1821 WeakPolarHBondContact OG-CB 3.44Å; S1771-H1821 PolarHBondContact OG-O 2.96Å; L1774-H1821 HydrophobicContact CD1-CB 4.45Å; K1817-H1821 PolarHBondContact O-CD2 3.36Å; L1818-H1821 PolarHBondContact O-N 3.27Å; L1819-H1821 PolarHBondContact O-N 3Å |
| 1822 | T | 87.7 | Confident | 87.1 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | trans | -94 | 9.4 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | L1819 L1824 I1825 P1828 I1834 | L1819-T1822 WeakPolarHBondContact O-CG2 3.48Å; T1822-L1824 PolarHBondContact O-N 3.08Å; T1822-I1825 PolarHBondContact O-N 3.47Å; T1822-I1825 VanDerWaalsContact O-N 3.14Å; T1822-P1828 HydrophobicContact CG2-CB 4.37Å; T1822-I1834 HydrophobicContact CG2-CD1 3.48Å; T1822-I1834 VanDerWaalsContact CG2-CD1 3.48Å; T1822-I1834 HydrophobicContact CG2-CG1 4.16Å | ||
| 1823 | N | 88.1 | Confident | 87.1 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.5 | -170.7 | 60.5 | -53.7 | 0 | 0 | 0 | 115.4 | S1771 | S1771-N1823 WeakPolarHBondContact CB-OD1 3.02Å; S1771-N1823 PolarHBondContact OG-OD1 3.23Å |
| 1824 | L | 88.3 | Confident | 87.2 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 44% | 0.44 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0.8 | 178.4 | -62.4 | 179.2 | 0 | 0 | 0 | 113.7 | L1775 T1822 | L1775-L1824 HydrophobicContact CB-CB 4.37Å; L1775-L1824 HydrophobicContact CD2-CB 4.16Å; L1775-L1824 HydrophobicContact CD2-CD1 4.45Å; T1822-L1824 PolarHBondContact O-N 3.08Å |
| 1825 | I | 89.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.046 | 36% | 0.358 | C | S | . | . | trans | -109.5 | 116.5 | -179.7 | -60.1 | 169.4 | 0 | 0 | 0 | 107.9 | L1774 L1775 H1778 T1822 N1827 P1828 I1834 | L1774-I1825 HydrophobicContact CB-CD1 4.42Å; L1775-I1825 HydrophobicContact CD1-CG1 4.18Å; H1778-I1825 HydrophobicContact CB-CD1 3.8Å; H1778-I1825 HydrophobicContact CB-CG1 4.24Å; T1822-I1825 PolarHBondContact O-N 3.47Å; T1822-I1825 VanDerWaalsContact O-N 3.14Å; I1825-N1827 VanDerWaalsContact C-N 3.25Å; I1825-N1827 PolarHBondContact O-N 3.42Å; I1825-N1827 VanDerWaalsContact O-N 3.17Å; I1825-P1828 HydrophobicContact CB-CG 4.39Å; I1825-P1828 VanDerWaalsContact O-CD 3.22Å; I1825-P1828 WeakPolarHBondContact O-CD 3.3Å; I1825-P1828 VanDerWaalsContact O-CG 3.31Å; I1825-P1828 WeakPolarHBondContact O-CG 3.45Å; I1825-I1834 HydrophobicContact CD1-CD1 4.26Å; I1825-I1834 HydrophobicContact CD1-CG1 4.28Å | ||
| 1826 | D | 82.4 | Confident | 87.6 | Confident | 157 Ų | 157 | 74.2 Ų | 74.2 | 84% | 0.84 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -58.2 | -33.3 | -174.5 | -62.4 | -35 | 0 | 0 | 0 | 113.9 | ||
| 1827 | N | 85.7 | Confident | 87.8 | Confident | 102 Ų | 102 | 67 Ų | 67 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | trans | -134.4 | 75.9 | 179 | -80.1 | -59.5 | 0 | 0 | 0 | 112 | I1825 E1829 R1830 S1831 | I1825-N1827 VanDerWaalsContact C-N 3.25Å; I1825-N1827 PolarHBondContact O-N 3.42Å; I1825-N1827 VanDerWaalsContact O-N 3.17Å; N1827-E1829 VanDerWaalsContact C-N 3.25Å; N1827-E1829 PolarHBondContact O-N 3.06Å; N1827-R1830 HydrophobicContact CB-CB 4.46Å; N1827-R1830 PolarHBondContact O-N 3.43Å; N1827-R1830 VanDerWaalsContact O-N 3.09Å; N1827-S1831 PolarHBondContact O-N 3.34Å | ||
| 1828 | P | 83.9 | Confident | 88 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -59.4 | -33.7 | -174.3 | -23 | 34 | 0 | 0 | 0 | 113.4 | T1822 I1825 R1830 S1831 I1834 | T1822-P1828 HydrophobicContact CG2-CB 4.37Å; I1825-P1828 HydrophobicContact CB-CG 4.39Å; I1825-P1828 VanDerWaalsContact O-CD 3.22Å; I1825-P1828 WeakPolarHBondContact O-CD 3.3Å; I1825-P1828 VanDerWaalsContact O-CG 3.31Å; I1825-P1828 WeakPolarHBondContact O-CG 3.45Å; P1828-R1830 VanDerWaalsContact C-N 3.26Å; P1828-R1830 PolarHBondContact O-N 2.89Å; P1828-S1831 WeakPolarHBondContact O-CB 3.44Å; P1828-S1831 PolarHBondContact O-N 3.1Å; P1828-S1831 VanDerWaalsContact O-N 3.14Å; P1828-I1834 HydrophobicContact CB-CG1 4.41Å; P1828-I1834 WeakPolarHBondContact O-CB 3.44Å |
| 1829 | E | 83.3 | Confident | 88.1 | Confident | 144 Ų | 144 | 72.2 Ų | 72.2 | 67% | 0.673 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -58.1 | -35.9 | 177.8 | -62.1 | -72.5 | 166.7 | 0 | 0 | 112.8 | N1827 K1838 | N1827-E1829 VanDerWaalsContact C-N 3.25Å; N1827-E1829 PolarHBondContact O-N 3.06Å; E1829-K1838 IonicContact OE2-NZ 3.41Å |
| 1830 | R | 85.2 | Confident | 88.1 | Confident | 195 Ų | 195 | 69.7 Ų | 69.7 | 74% | 0.736 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -86.5 | -15.3 | -179.5 | -66 | -173.5 | 178.2 | -169.7 | 0.7 | 112.7 | N1827 P1828 E1832 | N1827-R1830 HydrophobicContact CB-CB 4.46Å; N1827-R1830 PolarHBondContact O-N 3.43Å; N1827-R1830 VanDerWaalsContact O-N 3.09Å; P1828-R1830 VanDerWaalsContact C-N 3.26Å; P1828-R1830 PolarHBondContact O-N 2.89Å; R1830-E1832 PolarHBondContact O-N 3.41Å |
| 1831 | S | 90.8 | Very high | 88 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | trans | -67.3 | 120.9 | -176.5 | 175.9 | 0 | 0 | 0 | 0 | 112.1 | H1778 N1827 P1828 A1833 I1834 K1835 | H1778-S1831 WeakPolarHBondContact ND1-CB 3.41Å; H1778-S1831 PolarHBondContact ND1-OG 3.43Å; N1827-S1831 PolarHBondContact O-N 3.34Å; P1828-S1831 WeakPolarHBondContact O-CB 3.44Å; P1828-S1831 PolarHBondContact O-N 3.1Å; P1828-S1831 VanDerWaalsContact O-N 3.14Å; S1831-A1833 PolarHBondContact O-N 3.44Å; S1831-A1833 PolarHBondContact OG-N 2.97Å; S1831-I1834 PolarHBondContact O-N 3.35Å; S1831-I1834 VanDerWaalsContact O-N 3.12Å; S1831-I1834 PolarHBondContact OG-N 2.83Å; S1831-K1835 WeakPolarHBondContact O-CG 3.29Å; S1831-K1835 PolarHBondContact O-N 3.41Å | ||
| 1832 | E | 88.5 | Confident | 87.9 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.4 | -31.6 | 173.2 | -69.9 | -56.6 | 130.4 | 0 | 0 | 112.5 | F1781 P1786 R1830 K1835 Y1836 | F1781-E1832 HydrophobicContact CB-CB 3.84Å; F1781-E1832 HydrophobicContact CD2-CB 4.49Å; F1781-E1832 HydrophobicContact CG-CB 4.15Å; P1786-E1832 HydrophobicContact CG-CG 4.39Å; R1830-E1832 PolarHBondContact O-N 3.41Å; E1832-K1835 WeakPolarHBondContact OE1-CD 3.43Å; E1832-K1835 IonicContact OE1-NZ 2.77Å; E1832-K1835 PolarHBondContact OE1-NZ 3.02Å; E1832-Y1836 WeakPolarHBondContact O-CB 3.29Å; E1832-Y1836 PolarHBondContact O-N 3.24Å |
| 1833 | A | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1777 H1778 F1781 S1831 Y1836 V1837 | A1777-A1833 HydrophobicContact CB-CB 4.27Å; H1778-A1833 HydrophobicContact CB-CB 4.32Å; F1781-A1833 HydrophobicContact CD2-CB 3.93Å; F1781-A1833 HydrophobicContact CE2-CB 4.26Å; S1831-A1833 PolarHBondContact O-N 3.44Å; S1831-A1833 PolarHBondContact OG-N 2.97Å; A1833-Y1836 PolarHBondContact O-N 2.74Å; A1833-V1837 WeakPolarHBondContact O-CG2 3.32Å; A1833-V1837 PolarHBondContact O-N 3.46Å |
| 1834 | I | 91 | Very high | 86.8 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | -179.1 | -59.5 | -51.9 | 0 | 0 | 0 | 111.3 | L1774 L1819 T1822 I1825 P1828 S1831 Y1836 V1837 K1838 | L1774-I1834 HydrophobicContact CD1-CD1 4.42Å; L1774-I1834 HydrophobicContact CD2-CD1 4.36Å; L1819-I1834 HydrophobicContact CD2-CG2 3.69Å; T1822-I1834 HydrophobicContact CG2-CD1 3.48Å; T1822-I1834 VanDerWaalsContact CG2-CD1 3.48Å; T1822-I1834 HydrophobicContact CG2-CG1 4.16Å; I1825-I1834 HydrophobicContact CD1-CD1 4.26Å; I1825-I1834 HydrophobicContact CD1-CG1 4.28Å; P1828-I1834 HydrophobicContact CB-CG1 4.41Å; P1828-I1834 WeakPolarHBondContact O-CB 3.44Å; S1831-I1834 PolarHBondContact O-N 3.35Å; S1831-I1834 VanDerWaalsContact O-N 3.12Å; S1831-I1834 PolarHBondContact OG-N 2.83Å; I1834-Y1836 PolarHBondContact O-N 3.31Å; I1834-V1837 WeakPolarHBondContact O-CB 3.43Å; I1834-V1837 PolarHBondContact O-N 2.94Å; I1834-K1838 WeakPolarHBondContact O-CG 3.07Å; I1834-K1838 PolarHBondContact O-N 3.12Å |
| 1835 | K | 90.8 | Very high | 86.3 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -40.7 | 170.8 | -68.2 | 177.3 | -166.9 | 169.3 | 0 | 111.2 | S1831 E1832 K1838 K1839 | S1831-K1835 WeakPolarHBondContact O-CG 3.29Å; S1831-K1835 PolarHBondContact O-N 3.41Å; E1832-K1835 WeakPolarHBondContact OE1-CD 3.43Å; E1832-K1835 IonicContact OE1-NZ 2.77Å; E1832-K1835 PolarHBondContact OE1-NZ 3.02Å; K1835-K1838 PolarHBondContact O-N 3.09Å; K1835-K1839 WeakPolarHBondContact O-CB 3.47Å; K1835-K1839 PolarHBondContact O-N 2.79Å |
| 1836 | Y | 90.6 | Very high | 85.5 | Confident | 56 Ų | 56 | 77.5 Ų | 77.5 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71 | -36.1 | 178.2 | -166.5 | -102.5 | 0 | 0 | 0 | 113 | K1803 V1806 H1807 E1832 A1833 I1834 K1839 C1840 | K1803-Y1836 HydrophobicContact CB-CD1 4.36Å; K1803-Y1836 HydrophobicContact CB-CE1 3.72Å; K1803-Y1836 HydrophobicContact CB-CE2 4.37Å; K1803-Y1836 HydrophobicContact CD-CD2 4.41Å; K1803-Y1836 HydrophobicContact CD-CE2 4Å; K1803-Y1836 HydrophobicContact CG-CD1 4.26Å; K1803-Y1836 HydrophobicContact CG-CD2 4.36Å; K1803-Y1836 HydrophobicContact CG-CE1 4.03Å; K1803-Y1836 HydrophobicContact CG-CE2 4.11Å; K1803-Y1836 HydrophobicContact CG-CG 4.42Å; K1803-Y1836 WeakPolarHBondContact O-CE1 3.34Å; V1806-Y1836 HydrophobicContact CB-CD1 3.99Å; V1806-Y1836 HydrophobicContact CB-CE1 4.38Å; V1806-Y1836 HydrophobicContact CG1-CD1 3.79Å; V1806-Y1836 HydrophobicContact CG1-CE1 4.49Å; H1807-Y1836 HydrophobicContact CB-CE1 4.45Å; E1832-Y1836 WeakPolarHBondContact O-CB 3.29Å; E1832-Y1836 PolarHBondContact O-N 3.24Å; A1833-Y1836 PolarHBondContact O-N 2.74Å; I1834-Y1836 PolarHBondContact O-N 3.31Å; Y1836-K1839 PolarHBondContact O-N 2.79Å; Y1836-C1840 WeakPolarHBondContact CE1-SG 3.37Å; Y1836-C1840 WeakPolarHBondContact O-CB 3.41Å; Y1836-C1840 PolarHBondContact O-N 3.06Å; Y1836-C1840 PolarHBondContact O-SG 3.09Å |
| 1837 | V | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57 | -52 | 169.7 | 168.6 | 0 | 0 | 0 | 0 | 110.4 | L1774 V1806 V1810 A1815 L1818 L1819 A1833 I1834 K1839 C1840 D1841 | L1774-V1837 HydrophobicContact CD2-CG2 4.12Å; V1806-V1837 HydrophobicContact CG1-CB 4.49Å; V1806-V1837 HydrophobicContact CG1-CG2 3.42Å; V1806-V1837 VanDerWaalsContact CG1-CG2 3.42Å; V1810-V1837 HydrophobicContact CG2-CB 4.35Å; V1810-V1837 HydrophobicContact CG2-CG1 4Å; V1810-V1837 HydrophobicContact CG2-CG2 4.28Å; A1815-V1837 HydrophobicContact CB-CG1 4.09Å; L1818-V1837 HydrophobicContact CB-CG1 4.23Å; L1819-V1837 HydrophobicContact CD2-CB 4.45Å; L1819-V1837 HydrophobicContact CD2-CG1 3.87Å; L1819-V1837 HydrophobicContact CG-CG1 3.91Å; A1833-V1837 WeakPolarHBondContact O-CG2 3.32Å; A1833-V1837 PolarHBondContact O-N 3.46Å; I1834-V1837 WeakPolarHBondContact O-CB 3.43Å; I1834-V1837 PolarHBondContact O-N 2.94Å; V1837-K1839 VanDerWaalsContact C-N 3.3Å; V1837-K1839 PolarHBondContact O-N 2.96Å; V1837-C1840 PolarHBondContact O-N 3.43Å; V1837-D1841 PolarHBondContact O-N 3.46Å |
| 1838 | K | 90.7 | Very high | 82.6 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 38% | 0.378 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 177 | -68.4 | 178.5 | -179.6 | 179.7 | 0 | 111.6 | L1819 E1829 I1834 K1835 D1841 N1842 | L1819-K1838 HydrophobicContact CD1-CG 4.08Å; L1819-K1838 HydrophobicContact CD2-CG 4.13Å; E1829-K1838 IonicContact OE2-NZ 3.41Å; I1834-K1838 WeakPolarHBondContact O-CG 3.07Å; I1834-K1838 PolarHBondContact O-N 3.12Å; K1835-K1838 PolarHBondContact O-N 3.09Å; K1838-D1841 PolarHBondContact O-N 2.93Å; K1838-N1842 PolarHBondContact O-N 3.32Å |
| 1839 | K | 89.2 | Confident | 80.8 | Confident | 128 Ų | 128 | 79.2 Ų | 79.2 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 176 | -172.8 | 177.7 | -179.8 | 178.7 | 0 | 112.2 | K1835 Y1836 V1837 D1841 N1842 I1843 | K1835-K1839 WeakPolarHBondContact O-CB 3.47Å; K1835-K1839 PolarHBondContact O-N 2.79Å; Y1836-K1839 PolarHBondContact O-N 2.79Å; V1837-K1839 VanDerWaalsContact C-N 3.3Å; V1837-K1839 PolarHBondContact O-N 2.96Å; K1839-D1841 VanDerWaalsContact C-N 3.34Å; K1839-N1842 PolarHBondContact O-N 3.42Å; K1839-I1843 HydrophobicContact CG-CD1 4.22Å; K1839-I1843 WeakPolarHBondContact O-CG1 3.39Å; K1839-I1843 PolarHBondContact O-N 3.47Å |
| 1840 | C | 87.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.6 | -71.1 | 0 | 0 | 0 | 0 | 112 | V1810 Y1836 V1837 N1842 I1843 L1844 | V1810-C1840 HydrophobicContact CB-CB 4.08Å; V1810-C1840 HydrophobicContact CG1-CB 3.93Å; V1810-C1840 HydrophobicContact CG2-CB 4Å; Y1836-C1840 WeakPolarHBondContact CE1-SG 3.37Å; Y1836-C1840 WeakPolarHBondContact O-CB 3.41Å; Y1836-C1840 PolarHBondContact O-N 3.06Å; Y1836-C1840 PolarHBondContact O-SG 3.09Å; V1837-C1840 PolarHBondContact O-N 3.43Å; C1840-N1842 PolarHBondContact O-N 3.31Å; C1840-I1843 PolarHBondContact O-N 2.84Å; C1840-L1844 WeakPolarHBondContact O-CG 3.34Å; C1840-L1844 PolarHBondContact O-N 3.32Å |
| 1841 | D | 88 | Confident | 77.2 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 175.4 | -163.8 | 35.2 | 0 | 0 | 0 | 111.5 | A1815 V1837 K1838 K1839 I1843 L1844 R1845 | A1815-D1841 HydrophobicContact CB-CB 3.34Å; A1815-D1841 WeakPolarHBondContact CB-OD1 3.4Å; V1837-D1841 PolarHBondContact O-N 3.46Å; K1838-D1841 PolarHBondContact O-N 2.93Å; K1839-D1841 VanDerWaalsContact C-N 3.34Å; D1841-I1843 VanDerWaalsContact C-N 3.28Å; D1841-I1843 PolarHBondContact O-N 3.27Å; D1841-L1844 PolarHBondContact O-N 2.96Å; D1841-R1845 WeakPolarHBondContact O-CB 3.47Å; D1841-R1845 WeakPolarHBondContact O-CG 3.43Å; D1841-R1845 PolarHBondContact O-N 3.34Å; D1841-R1845 IonicContact OD1-NE 3.92Å; D1841-R1845 PolarHBondContact OD1-NE 3.21Å; D1841-R1845 IonicContact OD2-CZ 2.75Å; D1841-R1845 VanDerWaalsContact OD2-CZ 3.3Å; D1841-R1845 IonicContact OD2-NE 2.59Å; D1841-R1845 PolarHBondContact OD2-NE 3.01Å; D1841-R1845 IonicContact OD2-NH2 3.87Å; D1841-R1845 PolarHBondContact OD2-NH2 2.92Å |
| 1842 | N | 84.2 | Confident | 74.6 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -38.9 | 178.9 | -75.1 | -23.5 | 0 | 0 | 0 | 112.3 | K1838 K1839 C1840 K1846 | K1838-N1842 PolarHBondContact O-N 3.32Å; K1839-N1842 PolarHBondContact O-N 3.42Å; C1840-N1842 PolarHBondContact O-N 3.31Å; N1842-K1846 WeakPolarHBondContact O-CB 3.45Å; N1842-K1846 VanDerWaalsContact O-CG 3.25Å; N1842-K1846 WeakPolarHBondContact O-CG 3.27Å; N1842-K1846 PolarHBondContact O-N 3.27Å |
| 1843 | I | 78.4 | Confident | 72.2 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 177.3 | -66.2 | 165.9 | 0 | 0 | 0 | 110.4 | K1839 C1840 D1841 S1847 | K1839-I1843 HydrophobicContact CG-CD1 4.22Å; K1839-I1843 WeakPolarHBondContact O-CG1 3.39Å; K1839-I1843 PolarHBondContact O-N 3.47Å; C1840-I1843 PolarHBondContact O-N 2.84Å; D1841-I1843 VanDerWaalsContact C-N 3.28Å; D1841-I1843 PolarHBondContact O-N 3.27Å; I1843-S1847 PolarHBondContact O-N 3.41Å; I1843-S1847 VanDerWaalsContact O-N 3.16Å |
| 1844 | L | 75.5 | Confident | 69.9 | Low | 46 Ų | 46 | 88.3 Ų | 88.3 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -69.8 | -39.5 | -178.9 | -73.2 | 163 | 0 | 0 | 0 | 112.4 | V1810 C1840 D1841 S1847 Q1848 | V1810-L1844 HydrophobicContact CB-CD1 4.39Å; V1810-L1844 HydrophobicContact CG1-CD1 3.63Å; C1840-L1844 WeakPolarHBondContact O-CG 3.34Å; C1840-L1844 PolarHBondContact O-N 3.32Å; D1841-L1844 PolarHBondContact O-N 2.96Å; L1844-S1847 PolarHBondContact O-N 3.09Å; L1844-Q1848 WeakPolarHBondContact O-CG 3.33Å; L1844-Q1848 PolarHBondContact O-N 3.41Å; L1844-Q1848 VanDerWaalsContact O-N 3.12Å |
| 1845 | R | 76.4 | Confident | 67.3 | Low | 125 Ų | 125 | 92.1 Ų | 92.1 | 47% | 0.472 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 174.5 | -72.3 | -176.4 | -176.1 | -154.9 | -3.8 | 112.1 | D1841 S1847 Q1848 Q1849 | D1841-R1845 WeakPolarHBondContact O-CB 3.47Å; D1841-R1845 WeakPolarHBondContact O-CG 3.43Å; D1841-R1845 PolarHBondContact O-N 3.34Å; D1841-R1845 IonicContact OD1-NE 3.92Å; D1841-R1845 PolarHBondContact OD1-NE 3.21Å; D1841-R1845 IonicContact OD2-CZ 2.75Å; D1841-R1845 VanDerWaalsContact OD2-CZ 3.3Å; D1841-R1845 IonicContact OD2-NE 2.59Å; D1841-R1845 PolarHBondContact OD2-NE 3.01Å; D1841-R1845 IonicContact OD2-NH2 3.87Å; D1841-R1845 PolarHBondContact OD2-NH2 2.92Å; R1845-S1847 VanDerWaalsContact C-N 3.27Å; R1845-S1847 PolarHBondContact O-N 2.98Å; R1845-Q1848 PolarHBondContact O-N 2.98Å; R1845-Q1849 PolarHBondContact O-N 3.08Å |
| 1846 | K | 73.3 | Confident | 64.4 | Low | 162 Ų | 162 | 95.9 Ų | 95.9 | 70% | 0.704 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.8 | -40.9 | 175 | -79 | 179.5 | 179.2 | -172.8 | 0 | 111.8 | N1842 Q1848 S1850 | N1842-K1846 WeakPolarHBondContact O-CB 3.45Å; N1842-K1846 VanDerWaalsContact O-CG 3.25Å; N1842-K1846 WeakPolarHBondContact O-CG 3.27Å; N1842-K1846 PolarHBondContact O-N 3.27Å; K1846-Q1848 VanDerWaalsContact C-N 3.3Å; K1846-Q1848 PolarHBondContact O-N 2.98Å; K1846-S1850 PolarHBondContact O-N 3.49Å |
| 1847 | S | 57.2 | Low | 61.6 | Low | 75 Ų | 75 | 98.3 Ų | 98.3 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -27.6 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 113.7 | I1843 L1844 R1845 S1850 | I1843-S1847 PolarHBondContact O-N 3.41Å; I1843-S1847 VanDerWaalsContact O-N 3.16Å; L1844-S1847 PolarHBondContact O-N 3.09Å; R1845-S1847 VanDerWaalsContact C-N 3.27Å; R1845-S1847 PolarHBondContact O-N 2.98Å; S1847-S1850 PolarHBondContact O-OG 3.48Å; S1847-S1850 VanDerWaalsContact O-OG 3.1Å |
| 1848 | Q | 49 | Very low | 58.4 | Low | 139 Ų | 139 | 101.9 Ų | 101.9 | 65% | 0.65 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -86.3 | -34.9 | 178.3 | -73.1 | -177.4 | -13.3 | 0 | 0 | 112.6 | L1844 R1845 K1846 N1851 K1852 | L1844-Q1848 WeakPolarHBondContact O-CG 3.33Å; L1844-Q1848 PolarHBondContact O-N 3.41Å; L1844-Q1848 VanDerWaalsContact O-N 3.12Å; R1845-Q1848 PolarHBondContact O-N 2.98Å; K1846-Q1848 VanDerWaalsContact C-N 3.3Å; K1846-Q1848 PolarHBondContact O-N 2.98Å; Q1848-N1851 PolarHBondContact O-N 3.18Å; Q1848-K1852 PolarHBondContact O-N 3.04Å |
| 1849 | Q | 48.1 | Very low | 55.3 | Low | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -36.1 | 178.5 | -141.3 | 98.7 | 17.9 | 0 | 0 | 112 | R1845 N1851 K1852 N1853 | R1845-Q1849 PolarHBondContact O-N 3.08Å; Q1849-N1851 PolarHBondContact O-N 3.34Å; Q1849-N1851 VanDerWaalsContact O-N 3.17Å; Q1849-K1852 PolarHBondContact O-N 3.22Å; Q1849-K1852 VanDerWaalsContact O-N 3.11Å; Q1849-N1853 PolarHBondContact O-N 3.39Å |
| 1850 | S | 49.3 | Very low | 52.6 | Low | 80 Ų | 80 | 106.5 Ų | 106.5 | 56% | 0.559 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.2 | -23.5 | 174.7 | 63 | 0 | 0 | 0 | 0 | 112.8 | K1846 S1847 | K1846-S1850 PolarHBondContact O-N 3.49Å; S1847-S1850 PolarHBondContact O-OG 3.48Å; S1847-S1850 VanDerWaalsContact O-OG 3.1Å |
| 1851 | N | 42.7 | Very low | 50 | Low | 131 Ų | 131 | 112.2 Ų | 112.2 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -89 | -18 | 176.9 | -85.5 | -5.9 | 0 | 0 | 0 | 114.2 | Q1848 Q1849 | Q1848-N1851 PolarHBondContact O-N 3.18Å; Q1849-N1851 PolarHBondContact O-N 3.34Å; Q1849-N1851 VanDerWaalsContact O-N 3.17Å |
| 1852 | K | 36.6 | Very low | 46.9 | Very low | 162 Ų | 162 | 116.3 Ų | 116.3 | 70% | 0.704 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -90.4 | -33.7 | 179 | -83.1 | -172.2 | 173.3 | -176.6 | 0 | 113.7 | Q1848 Q1849 A1854 A1855 | Q1848-K1852 PolarHBondContact O-N 3.04Å; Q1849-K1852 PolarHBondContact O-N 3.22Å; Q1849-K1852 VanDerWaalsContact O-N 3.11Å; K1852-A1854 PolarHBondContact O-N 2.96Å; K1852-A1855 PolarHBondContact O-N 3.38Å |
| 1853 | N | 38.1 | Very low | 44 | Very low | 132 Ų | 132 | 115.6 Ų | 115.6 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -4.6 | -178.3 | -69.6 | -1.2 | 0 | 0 | 0 | 114.3 | Q1849 | Q1849-N1853 PolarHBondContact O-N 3.39Š|
| 1854 | A | 41.3 | Very low | 41.4 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -7.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | K1852 | K1852-A1854 PolarHBondContact O-N 2.96Š|
| 1855 | A | 34.8 | Very low | 39.1 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -107.2 | -13.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K1852 | K1852-A1855 PolarHBondContact O-N 3.38Š|
| 1856 | E | 30.5 | Very low | 37.4 | Very low | 177 Ų | 177 | 122.4 Ų | 122.4 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -140.6 | 94.5 | -177 | -71 | -179.2 | 174.8 | 0 | 0 | 111.3 | ||
| 1857 | A | 31.6 | Very low | 35 | Very low | 106 Ų | 106 | 118.8 Ų | 118.8 | 88% | 0.876 | 73% | 0.733 | S | S | * | * | trans | 176.1 | 79 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1858 | G | 24.4 | Very low | 33.4 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -96.3 | 104.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1859 | Q | 25.4 | Very low | 32.2 | Very low | 195 Ų | 195 | 122 Ų | 122 | 91% | 0.911 | 75% | 0.751 | S | S | * | * | trans | -179.7 | 112.4 | 152.2 | -101.3 | 165.9 | 39.3 | 0 | 0 | 108.8 | ||||
| 1860 | S | 32.8 | Very low | 31 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -67 | 146.3 | 168.2 | 38.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1861 | P | 31.5 | Very low | 30 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | -144.2 | 157.5 | 96 | 33.1 | -14.9 | 0 | 0 | 0 | 115.8 | |||||
| 1862 | S | 23.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -44.2 | 144 | 168.6 | 53.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1863 | A | 23.6 | Very low | 29.3 | Very low | 82 Ų | 82 | 127.3 Ų | 127.3 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | 166.2 | 139.3 | 113 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1864 | Q | 23.4 | Very low | 29.2 | Very low | 187 Ų | 187 | 127.8 Ų | 127.8 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 77.3 | 120.4 | 148.5 | -67 | 166.7 | 9.9 | 0 | 0 | 120.8 | ||||
| 1865 | S | 27.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -39.6 | 177.7 | 153.5 | 51.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 1866 | P | 41.9 | Very low | 30.4 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -134.2 | 175.7 | -1.7 | 27.7 | -3.6 | 0 | 0 | 0 | 114.8 | ||||
| 1867 | A | 22.6 | Very low | 32.7 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 23.2 | 122.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1868 | E | 22.4 | Very low | 35 | Very low | 188 Ų | 188 | 126.6 Ų | 126.6 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | 178.3 | 150.3 | 101.2 | -96.4 | 178.8 | 177.8 | 0 | 0 | 112.2 | |||||
| 1869 | S | 23.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -50.9 | 142 | -179.4 | 52.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1870 | K | 24.2 | Very low | 40 | Very low | 185 Ų | 185 | 127.7 Ų | 127.7 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | 160.8 | 146.8 | 110.2 | -93.5 | 179 | 179.4 | 172.3 | 0 | 114.3 | |||||
| 1871 | L | 27.8 | Very low | 42.6 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | 83.2 | 87.8 | 148.3 | -71 | 151.5 | 0 | 0 | 0 | 119.2 | ||||
| 1872 | V | 33.2 | Very low | 45 | Very low | 145 Ų | 145 | 120.6 Ų | 120.6 | 88% | 0.879 | 67% | 0.665 | S | S | * | * | trans | -74.1 | 126.2 | 158.1 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1873 | S | 31.8 | Very low | 47.8 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | trans | -85.7 | 124.8 | -179.2 | 18.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1874 | T | 36.2 | Very low | 50.8 | Low | 143 Ų | 143 | 115 Ų | 115 | 88% | 0.877 | 61% | 0.614 | S | S | * | * | trans | -75.3 | 116 | 179.1 | 27.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1875 | E | 37.9 | Very low | 53.8 | Low | 178 Ų | 178 | 106.5 Ų | 106.5 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | trans | -76.7 | 151 | 161.5 | -82.5 | -172.7 | 155.7 | 0 | 0 | 111.7 | W1877 | E1875-W1877 PolarHBondContact O-N 3.24Š| ||
| 1876 | P | 63.2 | Low | 56.3 | Low | 73 Ų | 73 | 105 Ų | 105 | 47% | 0.474 | 56% | 0.564 | S | S | . | * | trans | -75.5 | 120.5 | -174.3 | -8.6 | 25.6 | 0 | 0 | 0 | 112 | Q1878 E1879 | P1876-Q1878 PolarHBondContact O-N 3.02Å; P1876-E1879 PolarHBondContact O-N 3.46Å; P1876-E1879 VanDerWaalsContact O-N 3.16Å | ||
| 1877 | W | 78.2 | Confident | 58.4 | Low | 91 Ų | 91 | 102.2 Ų | 102.2 | 35% | 0.345 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -53.2 | -23.4 | -179.4 | 64.6 | -101.3 | 0 | 0 | 0 | 114.8 | E1875 R1880 L1881 F1904 V1911 | E1875-W1877 PolarHBondContact O-N 3.24Å; W1877-R1880 WeakPolarHBondContact O-CB 3.42Å; W1877-R1880 PolarHBondContact O-N 3.12Å; W1877-L1881 HydrophobicContact CZ3-CD2 4.06Å; W1877-L1881 PolarHBondContact O-N 3.5Å; W1877-F1904 HydrophobicContact CB-CE2 3.92Å; W1877-F1904 HydrophobicContact CB-CZ 3.89Å; W1877-F1904 HydrophobicContact CD2-CZ 4.07Å; W1877-F1904 HydrophobicContact CE3-CE1 4.07Å; W1877-F1904 HydrophobicContact CE3-CE2 4.44Å; W1877-F1904 AromaticContact CE3-CZ 3.43Å; W1877-F1904 HydrophobicContact CE3-CZ 3.43Å; W1877-F1904 VanDerWaalsContact CE3-CZ 3.43Å; W1877-F1904 HydrophobicContact CG-CZ 4.32Å; W1877-F1904 HydrophobicContact CZ3-CE1 4.48Å; W1877-F1904 HydrophobicContact CZ3-CZ 4.25Å; W1877-F1904 VanDerWaalsContact O-CE2 3.32Å; W1877-F1904 WeakPolarHBondContact O-CE2 3.41Å; W1877-V1911 HydrophobicContact CD2-CG2 4.27Å; W1877-V1911 HydrophobicContact CE3-CG1 4.3Å; W1877-V1911 HydrophobicContact CE3-CG2 4.04Å; W1877-V1911 HydrophobicContact CH2-CB 4.12Å; W1877-V1911 HydrophobicContact CH2-CG1 3.58Å; W1877-V1911 HydrophobicContact CH2-CG2 3.38Å; W1877-V1911 HydrophobicContact CZ2-CG2 3.68Å; W1877-V1911 HydrophobicContact CZ3-CB 4.15Å; W1877-V1911 HydrophobicContact CZ3-CG1 3.37Å; W1877-V1911 HydrophobicContact CZ3-CG2 3.59Å |
| 1878 | Q | 79.7 | Confident | 61.3 | Low | 94 Ų | 94 | 98.2 Ų | 98.2 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | -179.1 | -66.3 | 162.2 | -20 | 0 | 0 | 113.1 | P1876 K1882 | P1876-Q1878 PolarHBondContact O-N 3.02Å; Q1878-K1882 PolarHBondContact O-N 3.12Å; Q1878-K1882 VanDerWaalsContact O-N 3.14Å |
| 1879 | E | 75.7 | Confident | 63.6 | Low | 138 Ų | 138 | 91.7 Ų | 91.7 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.2 | -40.4 | 174.6 | -76.2 | -171.9 | 162.8 | 0 | 0 | 110.5 | P1876 L1881 K1882 D1883 | P1876-E1879 PolarHBondContact O-N 3.46Å; P1876-E1879 VanDerWaalsContact O-N 3.16Å; E1879-L1881 PolarHBondContact O-N 3.41Å; E1879-K1882 PolarHBondContact O-N 3.37Å; E1879-D1883 WeakPolarHBondContact O-CB 3.46Å; E1879-D1883 PolarHBondContact O-N 2.85Å |
| 1880 | R | 79.8 | Confident | 65.9 | Low | 155 Ų | 155 | 91.2 Ų | 91.2 | 59% | 0.585 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.9 | -44.8 | 174.2 | -170.1 | 175.1 | -178.1 | -179.7 | 0.5 | 111.7 | W1877 D1883 I1884 F1904 | W1877-R1880 WeakPolarHBondContact O-CB 3.42Å; W1877-R1880 PolarHBondContact O-N 3.12Å; R1880-D1883 PolarHBondContact O-N 3.4Å; R1880-I1884 HydrophobicContact CG-CD1 4.03Å; R1880-I1884 WeakPolarHBondContact O-CB 3.26Å; R1880-I1884 WeakPolarHBondContact O-CD1 3.47Å; R1880-I1884 WeakPolarHBondContact O-CG1 3.29Å; R1880-I1884 PolarHBondContact O-N 2.82Å; R1880-F1904 HydrophobicContact CB-CE2 4.3Å; R1880-F1904 HydrophobicContact CG-CD2 4.26Å; R1880-F1904 HydrophobicContact CG-CE2 4.44Å |
| 1881 | L | 87 | Confident | 67.9 | Low | 0 Ų | 0 | 91.4 Ų | 91.4 | 0% | 0 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177.1 | 178.2 | 59.3 | 0 | 0 | 0 | 112.7 | W1877 E1879 I1884 L1885 L1901 F1904 V1911 L1913 Y1916 | W1877-L1881 HydrophobicContact CZ3-CD2 4.06Å; W1877-L1881 PolarHBondContact O-N 3.5Å; E1879-L1881 PolarHBondContact O-N 3.41Å; L1881-I1884 PolarHBondContact O-N 3.01Å; L1881-L1885 HydrophobicContact CD1-CD1 3.98Å; L1881-L1885 HydrophobicContact CD1-CG 4.15Å; L1881-L1885 HydrophobicContact CG-CD1 4.05Å; L1881-L1885 WeakPolarHBondContact O-CG 3.5Å; L1881-L1885 PolarHBondContact O-N 2.95Å; L1881-L1901 HydrophobicContact CD1-CD1 3.4Å; L1881-L1901 VanDerWaalsContact CD1-CD1 3.4Å; L1881-F1904 HydrophobicContact CB-CD1 4.24Å; L1881-F1904 HydrophobicContact CB-CE1 3.8Å; L1881-F1904 HydrophobicContact CB-CE2 4.1Å; L1881-F1904 HydrophobicContact CB-CZ 3.78Å; L1881-F1904 HydrophobicContact CD1-CD1 3.66Å; L1881-F1904 HydrophobicContact CD1-CE1 3.88Å; L1881-F1904 HydrophobicContact CD1-CG 4.3Å; L1881-F1904 HydrophobicContact CD2-CE1 3.95Å; L1881-F1904 HydrophobicContact CG-CD1 4.34Å; L1881-F1904 HydrophobicContact CG-CE1 4.07Å; L1881-V1911 HydrophobicContact CD2-CG1 3.88Å; L1881-L1913 HydrophobicContact CD1-CD2 3.57Å; L1881-L1913 HydrophobicContact CD2-CD2 3.89Å; L1881-L1913 HydrophobicContact CG-CD2 4.38Å; L1881-Y1916 HydrophobicContact CD2-CD1 4.4Å; L1881-Y1916 HydrophobicContact CD2-CD2 3.65Å; L1881-Y1916 HydrophobicContact CD2-CE2 3.87Å; L1881-Y1916 HydrophobicContact CD2-CG 3.94Å |
| 1882 | K | 81.5 | Confident | 69.6 | Low | 89 Ų | 89 | 90.1 Ų | 90.1 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176 | -85.8 | 178.1 | 178.2 | 165.8 | 0 | 112.2 | R1800 Q1878 E1879 L1885 S1886 | R1800-K1882 VanDerWaalsContact CZ-NZ 3.29Å; Q1878-K1882 PolarHBondContact O-N 3.12Å; Q1878-K1882 VanDerWaalsContact O-N 3.14Å; E1879-K1882 PolarHBondContact O-N 3.37Å; K1882-L1885 PolarHBondContact O-N 3.42Å; K1882-S1886 WeakPolarHBondContact O-CB 3.3Å; K1882-S1886 PolarHBondContact O-N 2.86Å |
| 1883 | D | 82.5 | Confident | 71.6 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 177 | 177.2 | 61.5 | 0 | 0 | 0 | 110.9 | E1879 R1880 L1885 S1886 R1887 | E1879-D1883 WeakPolarHBondContact O-CB 3.46Å; E1879-D1883 PolarHBondContact O-N 2.85Å; R1880-D1883 PolarHBondContact O-N 3.4Å; D1883-L1885 PolarHBondContact O-N 2.9Å; D1883-S1886 PolarHBondContact O-N 3.24Å; D1883-S1886 PolarHBondContact O-OG 3.11Å; D1883-R1887 WeakPolarHBondContact O-CG 2.94Å; D1883-R1887 PolarHBondContact O-N 3.49Å; D1883-R1887 VanDerWaalsContact O-N 3.09Å; D1883-R1887 IonicContact OD1-NE 3.6Å; D1883-R1887 IonicContact OD2-CZ 2.97Å; D1883-R1887 IonicContact OD2-NE 3.64Å; D1883-R1887 PolarHBondContact OD2-NE 3.1Å; D1883-R1887 IonicContact OD2-NH2 3.09Å; D1883-R1887 PolarHBondContact OD2-NH2 3.24Å |
| 1884 | I | 87.2 | Confident | 73.8 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -55.6 | -53.3 | 174.8 | -68.2 | 166.5 | 0 | 0 | 0 | 110.9 | R1880 L1881 S1886 R1887 V1888 A1897 E1900 L1901 F1904 | R1880-I1884 HydrophobicContact CG-CD1 4.03Å; R1880-I1884 WeakPolarHBondContact O-CB 3.26Å; R1880-I1884 WeakPolarHBondContact O-CD1 3.47Å; R1880-I1884 WeakPolarHBondContact O-CG1 3.29Å; R1880-I1884 PolarHBondContact O-N 2.82Å; L1881-I1884 PolarHBondContact O-N 3.01Å; I1884-S1886 VanDerWaalsContact C-N 3.31Å; I1884-S1886 PolarHBondContact O-N 3.3Å; I1884-R1887 CarbonylContact O-C 3.57Å; I1884-R1887 WeakPolarHBondContact O-CA 3.32Å; I1884-R1887 WeakPolarHBondContact O-CB 3.4Å; I1884-R1887 PolarHBondContact O-N 3.03Å; I1884-V1888 WeakPolarHBondContact O-CG2 3.43Å; I1884-V1888 PolarHBondContact O-N 2.96Å; I1884-A1897 VanDerWaalsContact CG2-O 3.23Å; I1884-A1897 WeakPolarHBondContact CG2-O 3.41Å; I1884-E1900 HydrophobicContact CD1-CB 4.05Å; I1884-E1900 HydrophobicContact CG1-CB 3.97Å; I1884-E1900 HydrophobicContact CG2-CB 4.18Å; I1884-L1901 HydrophobicContact CG2-CB 3.56Å; I1884-L1901 HydrophobicContact CG2-CD1 3.85Å; I1884-L1901 HydrophobicContact CG2-CG 4.29Å; I1884-F1904 HydrophobicContact CD1-CB 3.77Å; I1884-F1904 HydrophobicContact CD1-CD2 3.91Å; I1884-F1904 HydrophobicContact CD1-CG 4.02Å |
| 1885 | L | 86.2 | Confident | 75.7 | Confident | 8 Ų | 8 | 81.4 Ų | 81.4 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.5 | -34.9 | -178.5 | -74.2 | 170.1 | 0 | 0 | 0 | 112.8 | L1881 K1882 D1883 R1887 V1888 G1889 L1901 Y1916 M1917 F1920 | L1881-L1885 HydrophobicContact CD1-CD1 3.98Å; L1881-L1885 HydrophobicContact CD1-CG 4.15Å; L1881-L1885 HydrophobicContact CG-CD1 4.05Å; L1881-L1885 WeakPolarHBondContact O-CG 3.5Å; L1881-L1885 PolarHBondContact O-N 2.95Å; K1882-L1885 PolarHBondContact O-N 3.42Å; D1883-L1885 PolarHBondContact O-N 2.9Å; L1885-R1887 VanDerWaalsContact C-N 3.27Å; L1885-R1887 PolarHBondContact O-N 2.86Å; L1885-V1888 WeakPolarHBondContact O-CB 3.44Å; L1885-V1888 PolarHBondContact O-N 3.42Å; L1885-G1889 PolarHBondContact O-N 3.46Å; L1885-L1901 HydrophobicContact CD2-CD1 3.87Å; L1885-L1901 HydrophobicContact CD2-CD2 3.81Å; L1885-L1901 HydrophobicContact CG-CD1 4.09Å; L1885-Y1916 HydrophobicContact CD1-CG 4.38Å; L1885-M1917 HydrophobicContact CD2-CG 4.18Å; L1885-F1920 HydrophobicContact CB-CE2 4.33Å; L1885-F1920 HydrophobicContact CD2-CE2 4.24Å; L1885-F1920 WeakPolarHBondContact O-CZ 3.49Å |
| 1886 | S | 79.4 | Confident | 77.7 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 174.1 | 81.4 | 0 | 0 | 0 | 0 | 112 | K1882 D1883 I1884 | K1882-S1886 WeakPolarHBondContact O-CB 3.3Å; K1882-S1886 PolarHBondContact O-N 2.86Å; D1883-S1886 PolarHBondContact O-N 3.24Å; D1883-S1886 PolarHBondContact O-OG 3.11Å; I1884-S1886 VanDerWaalsContact C-N 3.31Å; I1884-S1886 PolarHBondContact O-N 3.3Å |
| 1887 | R | 86 | Confident | 78.7 | Confident | 57 Ų | 57 | 73.9 Ų | 73.9 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.3 | -24.3 | 175.9 | -69.3 | -173.8 | -78.7 | 141.2 | 2.3 | 112.7 | D1883 I1884 L1885 G1889 N1890 T1893 C1894 A1897 E1900 | D1883-R1887 WeakPolarHBondContact O-CG 2.94Å; D1883-R1887 PolarHBondContact O-N 3.49Å; D1883-R1887 VanDerWaalsContact O-N 3.09Å; D1883-R1887 IonicContact OD1-NE 3.6Å; D1883-R1887 IonicContact OD2-CZ 2.97Å; D1883-R1887 IonicContact OD2-NE 3.64Å; D1883-R1887 PolarHBondContact OD2-NE 3.1Å; D1883-R1887 IonicContact OD2-NH2 3.09Å; D1883-R1887 PolarHBondContact OD2-NH2 3.24Å; I1884-R1887 CarbonylContact O-C 3.57Å; I1884-R1887 WeakPolarHBondContact O-CA 3.32Å; I1884-R1887 WeakPolarHBondContact O-CB 3.4Å; I1884-R1887 PolarHBondContact O-N 3.03Å; L1885-R1887 VanDerWaalsContact C-N 3.27Å; L1885-R1887 PolarHBondContact O-N 2.86Å; R1887-G1889 VanDerWaalsContact C-N 3.32Å; R1887-G1889 PolarHBondContact O-N 3.48Å; R1887-N1890 PolarHBondContact O-N 2.79Å; R1887-T1893 CarbonylContact O-C 3.58Å; R1887-T1893 PolarHBondContact O-OG1 3.27Å; R1887-C1894 PolarHBondContact O-N 3.06Å; R1887-A1897 VanDerWaalsContact C-CB 3.44Å; R1887-A1897 HydrophobicContact CB-CB 3.58Å; R1887-E1900 IonicContact CZ-OE1 2.61Å; R1887-E1900 IonicContact CZ-OE2 3.52Å; R1887-E1900 VanDerWaalsContact NH1-CD 3.32Å; R1887-E1900 IonicContact NH1-OE1 2.86Å; R1887-E1900 PolarHBondContact NH1-OE1 2.68Å; R1887-E1900 IonicContact NH1-OE2 2.69Å; R1887-E1900 PolarHBondContact NH1-OE2 3.47Å; R1887-E1900 IonicContact NH2-OE1 3.78Å; R1887-E1900 IonicContact NH2-OE2 3.56Å; R1887-E1900 PolarHBondContact NH2-OE2 3.46Å |
| 1888 | V | 83.9 | Confident | 79.2 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 172.7 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | I1884 L1885 N1890 C1894 A1897 L1898 L1901 F1924 I1928 | I1884-V1888 WeakPolarHBondContact O-CG2 3.43Å; I1884-V1888 PolarHBondContact O-N 2.96Å; L1885-V1888 WeakPolarHBondContact O-CB 3.44Å; L1885-V1888 PolarHBondContact O-N 3.42Å; V1888-N1890 VanDerWaalsContact C-N 3.26Å; V1888-N1890 PolarHBondContact O-N 3.32Å; V1888-C1894 WeakPolarHBondContact O-CB 3.1Å; V1888-C1894 PolarHBondContact O-SG 3.19Å; V1888-A1897 HydrophobicContact CB-CB 4.35Å; V1888-A1897 HydrophobicContact CG2-CB 3.61Å; V1888-L1898 HydrophobicContact CG1-CD2 4.01Å; V1888-L1898 HydrophobicContact CG1-CG 4.3Å; V1888-L1898 HydrophobicContact CG2-CD2 4.37Å; V1888-L1898 HydrophobicContact CG2-CG 4.48Å; V1888-L1901 HydrophobicContact CG2-CD2 4.44Å; V1888-F1924 HydrophobicContact CG1-CE1 3.85Å; V1888-F1924 HydrophobicContact CG1-CZ 3.91Å; V1888-I1928 HydrophobicContact CG1-CD1 3.98Å; V1888-I1928 HydrophobicContact CG1-CG1 4.04Å |
| 1889 | G | 70.8 | Confident | 79.4 | Confident | 52 Ų | 52 | 70.8 Ų | 70.8 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1885 R1887 | L1885-G1889 PolarHBondContact O-N 3.46Å; R1887-G1889 VanDerWaalsContact C-N 3.32Å; R1887-G1889 PolarHBondContact O-N 3.48Å |
| 1890 | N | 71.3 | Confident | 79.8 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -97.6 | 121.1 | -178.2 | 176.8 | -10.6 | 0 | 0 | 0 | 110.9 | R1887 V1888 V1892 T1893 C1894 | R1887-N1890 PolarHBondContact O-N 2.79Å; V1888-N1890 VanDerWaalsContact C-N 3.26Å; V1888-N1890 PolarHBondContact O-N 3.32Å; N1890-V1892 PolarHBondContact O-N 3.15Å; N1890-V1892 PolarHBondContact OD1-N 2.99Å; N1890-T1893 WeakPolarHBondContact CB-OG1 3.4Å; N1890-T1893 PolarHBondContact O-N 2.99Å; N1890-T1893 PolarHBondContact O-OG1 3.3Å; N1890-C1894 WeakPolarHBondContact O-CB 3.41Å; N1890-C1894 PolarHBondContact O-N 3.06Å |
| 1891 | K | 67.4 | Low | 80.3 | Confident | 190 Ų | 190 | 59.8 Ų | 59.8 | 83% | 0.826 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -27.5 | -171.9 | -149.6 | 175.9 | -172.8 | 178.9 | 0 | 114.3 | ||
| 1892 | V | 62.8 | Low | 80.1 | Confident | 131 Ų | 131 | 64.5 Ų | 64.5 | 79% | 0.794 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -40.2 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | N1890 | N1890-V1892 PolarHBondContact O-N 3.15Å; N1890-V1892 PolarHBondContact OD1-N 2.99Å |
| 1893 | T | 76 | Confident | 80.1 | Confident | 33 Ų | 33 | 63 Ų | 63 | 20% | 0.202 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7 | -175.7 | 52.2 | 0 | 0 | 0 | 0 | 113.7 | R1887 N1890 K1895 E1896 A1897 | R1887-T1893 CarbonylContact O-C 3.58Å; R1887-T1893 PolarHBondContact O-OG1 3.27Å; N1890-T1893 WeakPolarHBondContact CB-OG1 3.4Å; N1890-T1893 PolarHBondContact O-N 2.99Å; N1890-T1893 PolarHBondContact O-OG1 3.3Å; T1893-K1895 PolarHBondContact O-N 3.33Å; T1893-E1896 PolarHBondContact O-N 3.08Å; T1893-A1897 VanDerWaalsContact O-CB 3.24Å; T1893-A1897 WeakPolarHBondContact O-CB 3.44Å; T1893-A1897 PolarHBondContact O-N 2.66Å |
| 1894 | C | 76.9 | Confident | 80.3 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.7 | -43 | -171.5 | -174 | 0 | 0 | 0 | 0 | 113.7 | R1887 V1888 N1890 L1898 | R1887-C1894 PolarHBondContact O-N 3.06Å; V1888-C1894 WeakPolarHBondContact O-CB 3.1Å; V1888-C1894 PolarHBondContact O-SG 3.19Å; N1890-C1894 WeakPolarHBondContact O-CB 3.41Å; N1890-C1894 PolarHBondContact O-N 3.06Å; C1894-L1898 WeakPolarHBondContact O-CB 3.29Å; C1894-L1898 VanDerWaalsContact O-CG 3.25Å; C1894-L1898 WeakPolarHBondContact O-CG 2.97Å; C1894-L1898 PolarHBondContact O-N 2.95Å |
| 1895 | K | 77.3 | Confident | 80.1 | Confident | 162 Ų | 162 | 63.1 Ų | 63.1 | 70% | 0.704 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.3 | -49.9 | 179 | -82.7 | -170.7 | 174.9 | -173.8 | 0 | 112 | T1893 A1897 L1898 V1899 | T1893-K1895 PolarHBondContact O-N 3.33Å; K1895-A1897 VanDerWaalsContact C-N 3.35Å; K1895-L1898 PolarHBondContact O-N 2.78Å; K1895-V1899 WeakPolarHBondContact O-CG2 3.15Å; K1895-V1899 PolarHBondContact O-N 3.08Å |
| 1896 | E | 78.8 | Confident | 79.7 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 43% | 0.425 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.2 | -67.4 | 177.2 | 166.1 | 0 | 0 | 111.1 | T1893 L1898 V1899 E1900 | T1893-E1896 PolarHBondContact O-N 3.08Å; E1896-L1898 PolarHBondContact O-N 2.87Å; E1896-V1899 WeakPolarHBondContact O-CB 3.27Å; E1896-V1899 PolarHBondContact O-N 3.28Å; E1896-E1900 PolarHBondContact O-N 3.42Å |
| 1897 | A | 85.3 | Confident | 79.7 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.2 | -34.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1884 R1887 V1888 T1893 K1895 E1900 L1901 | I1884-A1897 VanDerWaalsContact CG2-O 3.23Å; I1884-A1897 WeakPolarHBondContact CG2-O 3.41Å; R1887-A1897 VanDerWaalsContact C-CB 3.44Å; R1887-A1897 HydrophobicContact CB-CB 3.58Å; V1888-A1897 HydrophobicContact CB-CB 4.35Å; V1888-A1897 HydrophobicContact CG2-CB 3.61Å; T1893-A1897 VanDerWaalsContact O-CB 3.24Å; T1893-A1897 WeakPolarHBondContact O-CB 3.44Å; T1893-A1897 PolarHBondContact O-N 2.66Å; K1895-A1897 VanDerWaalsContact C-N 3.35Å; A1897-E1900 PolarHBondContact O-N 3.44Å; A1897-L1901 VanDerWaalsContact O-CB 3.26Å; A1897-L1901 WeakPolarHBondContact O-CB 3.45Å; A1897-L1901 PolarHBondContact O-N 3.35Å |
| 1898 | L | 88 | Confident | 79.6 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 173 | -77.1 | 168.9 | 0 | 0 | 0 | 111.8 | V1888 C1894 K1895 E1896 L1901 R1902 F1927 I1928 H1931 | V1888-L1898 HydrophobicContact CG1-CD2 4.01Å; V1888-L1898 HydrophobicContact CG1-CG 4.3Å; V1888-L1898 HydrophobicContact CG2-CD2 4.37Å; V1888-L1898 HydrophobicContact CG2-CG 4.48Å; C1894-L1898 WeakPolarHBondContact O-CB 3.29Å; C1894-L1898 VanDerWaalsContact O-CG 3.25Å; C1894-L1898 WeakPolarHBondContact O-CG 2.97Å; C1894-L1898 PolarHBondContact O-N 2.95Å; K1895-L1898 PolarHBondContact O-N 2.78Å; E1896-L1898 PolarHBondContact O-N 2.87Å; L1898-L1901 PolarHBondContact O-N 3.34Å; L1898-R1902 WeakPolarHBondContact O-CB 3.41Å; L1898-R1902 PolarHBondContact O-N 2.83Å; L1898-F1927 HydrophobicContact CD1-CE1 3.8Å; L1898-F1927 HydrophobicContact CD1-CZ 3.95Å; L1898-I1928 HydrophobicContact CD2-CG1 4.26Å; L1898-I1928 HydrophobicContact CD2-CG2 4.49Å; L1898-H1931 HydrophobicContact CD2-CB 4.4Å |
| 1899 | V | 83.2 | Confident | 79.3 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 62% | 0.624 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.8 | -44.9 | 174 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | K1895 E1896 L1901 R1902 A1903 | K1895-V1899 WeakPolarHBondContact O-CG2 3.15Å; K1895-V1899 PolarHBondContact O-N 3.08Å; E1896-V1899 WeakPolarHBondContact O-CB 3.27Å; E1896-V1899 PolarHBondContact O-N 3.28Å; V1899-L1901 PolarHBondContact O-N 2.9Å; V1899-R1902 PolarHBondContact O-N 3.13Å; V1899-A1903 PolarHBondContact O-N 3.41Å |
| 1900 | E | 85.5 | Confident | 79.7 | Confident | 63 Ų | 63 | 74.9 Ų | 74.9 | 29% | 0.294 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 174.4 | -75.5 | -171.7 | -139.6 | 0 | 0 | 112.6 | I1884 R1887 E1896 A1897 R1902 A1903 F1904 | I1884-E1900 HydrophobicContact CD1-CB 4.05Å; I1884-E1900 HydrophobicContact CG1-CB 3.97Å; I1884-E1900 HydrophobicContact CG2-CB 4.18Å; R1887-E1900 IonicContact CZ-OE1 2.61Å; R1887-E1900 IonicContact CZ-OE2 3.52Å; R1887-E1900 VanDerWaalsContact NH1-CD 3.32Å; R1887-E1900 IonicContact NH1-OE1 2.86Å; R1887-E1900 PolarHBondContact NH1-OE1 2.68Å; R1887-E1900 IonicContact NH1-OE2 2.69Å; R1887-E1900 PolarHBondContact NH1-OE2 3.47Å; R1887-E1900 IonicContact NH2-OE1 3.78Å; R1887-E1900 IonicContact NH2-OE2 3.56Å; R1887-E1900 PolarHBondContact NH2-OE2 3.46Å; E1896-E1900 PolarHBondContact O-N 3.42Å; A1897-E1900 PolarHBondContact O-N 3.44Å; E1900-R1902 VanDerWaalsContact C-N 3.33Å; E1900-A1903 PolarHBondContact O-N 3.4Å; E1900-F1904 WeakPolarHBondContact O-CB 3.38Å; E1900-F1904 PolarHBondContact O-N 3.23Å |
| 1901 | L | 89.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 175.8 | -170.4 | 65.9 | 0 | 0 | 0 | 111.4 | L1881 I1884 L1885 V1888 A1897 L1898 V1899 F1904 K1905 L1913 I1928 L1932 | L1881-L1901 HydrophobicContact CD1-CD1 3.4Å; L1881-L1901 VanDerWaalsContact CD1-CD1 3.4Å; I1884-L1901 HydrophobicContact CG2-CB 3.56Å; I1884-L1901 HydrophobicContact CG2-CD1 3.85Å; I1884-L1901 HydrophobicContact CG2-CG 4.29Å; L1885-L1901 HydrophobicContact CD2-CD1 3.87Å; L1885-L1901 HydrophobicContact CD2-CD2 3.81Å; L1885-L1901 HydrophobicContact CG-CD1 4.09Å; V1888-L1901 HydrophobicContact CG2-CD2 4.44Å; A1897-L1901 VanDerWaalsContact O-CB 3.26Å; A1897-L1901 WeakPolarHBondContact O-CB 3.45Å; A1897-L1901 PolarHBondContact O-N 3.35Å; L1898-L1901 PolarHBondContact O-N 3.34Å; V1899-L1901 PolarHBondContact O-N 2.9Å; L1901-F1904 PolarHBondContact O-N 2.74Å; L1901-K1905 WeakPolarHBondContact O-CB 3.28Å; L1901-K1905 PolarHBondContact O-N 2.89Å; L1901-L1913 HydrophobicContact CD1-CD1 4.45Å; L1901-L1913 HydrophobicContact CD1-CD2 4.12Å; L1901-L1913 HydrophobicContact CG-CD1 4.46Å; L1901-I1928 HydrophobicContact CD2-CG2 3.66Å; L1901-L1932 HydrophobicContact CD2-CD1 4.42Å; L1901-L1932 HydrophobicContact CG-CD2 4.44Å |
| 1902 | R | 83.7 | Confident | 80.8 | Confident | 99 Ų | 99 | 66 Ų | 66 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -48.1 | 174.8 | -164.9 | -172 | -84.9 | -167.6 | -10.4 | 110.5 | L1898 V1899 E1900 F1904 K1905 A1906 H1931 L1932 D1935 | L1898-R1902 WeakPolarHBondContact O-CB 3.41Å; L1898-R1902 PolarHBondContact O-N 2.83Å; V1899-R1902 PolarHBondContact O-N 3.13Å; E1900-R1902 VanDerWaalsContact C-N 3.33Å; R1902-F1904 VanDerWaalsContact C-N 3.28Å; R1902-F1904 PolarHBondContact O-N 3.28Å; R1902-K1905 PolarHBondContact O-N 3.22Å; R1902-A1906 WeakPolarHBondContact O-CB 3.37Å; R1902-A1906 PolarHBondContact O-N 3.22Å; R1902-H1931 PolarHBondContact NE-O 3.16Å; R1902-H1931 PolarHBondContact NH2-O 3.42Å; R1902-L1932 HydrophobicContact CB-CD2 4.21Å; R1902-L1932 HydrophobicContact CG-CD2 4.44Å; R1902-D1935 IonicContact CZ-OD2 3.81Å; R1902-D1935 IonicContact NH1-OD2 3.3Å; R1902-D1935 PolarHBondContact NH1-OD2 3.28Å; R1902-D1935 IonicContact NH2-OD2 3.39Å |
| 1903 | A | 80.8 | Confident | 81.6 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1899 E1900 S1907 | V1899-A1903 PolarHBondContact O-N 3.41Å; E1900-A1903 PolarHBondContact O-N 3.4Å; A1903-S1907 WeakPolarHBondContact O-CB 3.36Å; A1903-S1907 PolarHBondContact O-N 3.13Å; A1903-S1907 PolarHBondContact O-OG 2.87Å |
| 1904 | F | 86.9 | Confident | 81.7 | Confident | 5 Ų | 5 | 67 Ų | 67 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -45 | 176.5 | -175.3 | -82.9 | 0 | 0 | 0 | 111.7 | W1877 R1880 L1881 I1884 E1900 L1901 R1902 S1907 N1908 V1911 | W1877-F1904 HydrophobicContact CB-CE2 3.92Å; W1877-F1904 HydrophobicContact CB-CZ 3.89Å; W1877-F1904 HydrophobicContact CD2-CZ 4.07Å; W1877-F1904 HydrophobicContact CE3-CE1 4.07Å; W1877-F1904 HydrophobicContact CE3-CE2 4.44Å; W1877-F1904 AromaticContact CE3-CZ 3.43Å; W1877-F1904 HydrophobicContact CE3-CZ 3.43Å; W1877-F1904 VanDerWaalsContact CE3-CZ 3.43Å; W1877-F1904 HydrophobicContact CG-CZ 4.32Å; W1877-F1904 HydrophobicContact CZ3-CE1 4.48Å; W1877-F1904 HydrophobicContact CZ3-CZ 4.25Å; W1877-F1904 VanDerWaalsContact O-CE2 3.32Å; W1877-F1904 WeakPolarHBondContact O-CE2 3.41Å; R1880-F1904 HydrophobicContact CB-CE2 4.3Å; R1880-F1904 HydrophobicContact CG-CD2 4.26Å; R1880-F1904 HydrophobicContact CG-CE2 4.44Å; L1881-F1904 HydrophobicContact CB-CD1 4.24Å; L1881-F1904 HydrophobicContact CB-CE1 3.8Å; L1881-F1904 HydrophobicContact CB-CE2 4.1Å; L1881-F1904 HydrophobicContact CB-CZ 3.78Å; L1881-F1904 HydrophobicContact CD1-CD1 3.66Å; L1881-F1904 HydrophobicContact CD1-CE1 3.88Å; L1881-F1904 HydrophobicContact CD1-CG 4.3Å; L1881-F1904 HydrophobicContact CD2-CE1 3.95Å; L1881-F1904 HydrophobicContact CG-CD1 4.34Å; L1881-F1904 HydrophobicContact CG-CE1 4.07Å; I1884-F1904 HydrophobicContact CD1-CB 3.77Å; I1884-F1904 HydrophobicContact CD1-CD2 3.91Å; I1884-F1904 HydrophobicContact CD1-CG 4.02Å; E1900-F1904 WeakPolarHBondContact O-CB 3.38Å; E1900-F1904 PolarHBondContact O-N 3.23Å; L1901-F1904 PolarHBondContact O-N 2.74Å; R1902-F1904 VanDerWaalsContact C-N 3.28Å; R1902-F1904 PolarHBondContact O-N 3.28Å; F1904-S1907 WeakPolarHBondContact CA-OG 3.44Å; F1904-S1907 PolarHBondContact O-N 3.46Å; F1904-S1907 PolarHBondContact O-OG 3.16Å; F1904-S1907 VanDerWaalsContact O-OG 3.07Å; F1904-N1908 HydrophobicContact CE1-CB 4.05Å; F1904-N1908 HydrophobicContact CZ-CB 4.2Å; F1904-N1908 WeakPolarHBondContact O-CB 3.39Å; F1904-N1908 PolarHBondContact O-N 3.45Å; F1904-N1908 PolarHBondContact O-ND2 3.09Å; F1904-V1911 HydrophobicContact CE1-CG1 4.23Å |
| 1905 | K | 81.7 | Confident | 81.6 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 176.1 | -167.7 | -176.3 | -178.8 | -168.1 | 0 | 111.8 | L1901 R1902 S1907 N1908 P1909 L1913 L1932 | L1901-K1905 WeakPolarHBondContact O-CB 3.28Å; L1901-K1905 PolarHBondContact O-N 2.89Å; R1902-K1905 PolarHBondContact O-N 3.22Å; K1905-S1907 VanDerWaalsContact C-N 3.34Å; K1905-N1908 CarbonylContact O-C 3.59Å; K1905-N1908 PolarHBondContact O-N 3.3Å; K1905-P1909 WeakPolarHBondContact O-CA 3.12Å; K1905-P1909 VanDerWaalsContact O-N 3.14Å; K1905-L1913 HydrophobicContact CB-CD1 4.44Å; K1905-L1913 HydrophobicContact CD-CD1 3.92Å; K1905-L1913 HydrophobicContact CG-CD1 4.28Å; K1905-L1932 HydrophobicContact CD-CD1 4.33Å; K1905-L1932 HydrophobicContact CD-CD2 4.21Å |
| 1906 | A | 77.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 65 Ų | 65 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.6 | -37.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1902 | R1902-A1906 WeakPolarHBondContact O-CB 3.37Å; R1902-A1906 PolarHBondContact O-N 3.22Å |
| 1907 | S | 79.5 | Confident | 81.6 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -80.9 | -15.4 | 176.3 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | A1903 F1904 K1905 | A1903-S1907 WeakPolarHBondContact O-CB 3.36Å; A1903-S1907 PolarHBondContact O-N 3.13Å; A1903-S1907 PolarHBondContact O-OG 2.87Å; F1904-S1907 WeakPolarHBondContact CA-OG 3.44Å; F1904-S1907 PolarHBondContact O-N 3.46Å; F1904-S1907 PolarHBondContact O-OG 3.16Å; F1904-S1907 VanDerWaalsContact O-OG 3.07Å; K1905-S1907 VanDerWaalsContact C-N 3.34Å |
| 1908 | N | 84.6 | Confident | 81 | Confident | 37 Ų | 37 | 68 Ų | 68 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | trans | -137.1 | 63.6 | -179.7 | -55.8 | -91.7 | 0 | 0 | 0 | 111 | F1904 K1905 T1910 V1911 | F1904-N1908 HydrophobicContact CE1-CB 4.05Å; F1904-N1908 HydrophobicContact CZ-CB 4.2Å; F1904-N1908 WeakPolarHBondContact O-CB 3.39Å; F1904-N1908 PolarHBondContact O-N 3.45Å; F1904-N1908 PolarHBondContact O-ND2 3.09Å; K1905-N1908 CarbonylContact O-C 3.59Å; K1905-N1908 PolarHBondContact O-N 3.3Å; N1908-T1910 PolarHBondContact O-N 3.38Å; N1908-T1910 VanDerWaalsContact O-N 3.12Å; N1908-V1911 HydrophobicContact CB-CB 4.19Å; N1908-V1911 HydrophobicContact CB-CG2 3.62Å; N1908-V1911 WeakPolarHBondContact O-CB 3.49Å; N1908-V1911 PolarHBondContact O-N 3.25Å | ||
| 1909 | P | 77.7 | Confident | 80.1 | Confident | 106 Ų | 106 | 71.9 Ų | 71.9 | 69% | 0.688 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.5 | -171.3 | 23.9 | -33.1 | 0 | 0 | 0 | 113.9 | K1905 V1911 | K1905-P1909 WeakPolarHBondContact O-CA 3.12Å; K1905-P1909 VanDerWaalsContact O-N 3.14Å; P1909-V1911 VanDerWaalsContact C-N 3.29Å |
| 1910 | T | 78.6 | Confident | 79.4 | Confident | 139 Ų | 139 | 68.9 Ų | 68.9 | 85% | 0.853 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -9.4 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | N1908 D1912 | N1908-T1910 PolarHBondContact O-N 3.38Å; N1908-T1910 VanDerWaalsContact O-N 3.12Å; T1910-D1912 PolarHBondContact O-N 3.43Å |
| 1911 | V | 81.2 | Confident | 78.7 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 9% | 0.085 | 39% | 0.39 | C | S | . | . | trans | -84.1 | 109.1 | -176.8 | 176.3 | 0 | 0 | 0 | 0 | 110 | W1877 L1881 F1904 N1908 P1909 L1913 | W1877-V1911 HydrophobicContact CD2-CG2 4.27Å; W1877-V1911 HydrophobicContact CE3-CG1 4.3Å; W1877-V1911 HydrophobicContact CE3-CG2 4.04Å; W1877-V1911 HydrophobicContact CH2-CB 4.12Å; W1877-V1911 HydrophobicContact CH2-CG1 3.58Å; W1877-V1911 HydrophobicContact CH2-CG2 3.38Å; W1877-V1911 HydrophobicContact CZ2-CG2 3.68Å; W1877-V1911 HydrophobicContact CZ3-CB 4.15Å; W1877-V1911 HydrophobicContact CZ3-CG1 3.37Å; W1877-V1911 HydrophobicContact CZ3-CG2 3.59Å; L1881-V1911 HydrophobicContact CD2-CG1 3.88Å; F1904-V1911 HydrophobicContact CE1-CG1 4.23Å; N1908-V1911 HydrophobicContact CB-CB 4.19Å; N1908-V1911 HydrophobicContact CB-CG2 3.62Å; N1908-V1911 WeakPolarHBondContact O-CB 3.49Å; N1908-V1911 PolarHBondContact O-N 3.25Å; P1909-V1911 VanDerWaalsContact C-N 3.29Å; V1911-L1913 PolarHBondContact O-N 3.24Å | ||
| 1912 | D | 79.7 | Confident | 77.9 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | trans | -69.1 | 117.7 | 170.6 | -167 | -9.1 | 0 | 0 | 0 | 109.8 | T1910 R1914 P1915 | T1910-D1912 PolarHBondContact O-N 3.43Å; D1912-R1914 VanDerWaalsContact C-N 3.32Å; D1912-R1914 VanDerWaalsContact OD1-CB 3.28Å; D1912-R1914 WeakPolarHBondContact OD1-CB 3.49Å; D1912-R1914 WeakPolarHBondContact OD1-CG 3.41Å; D1912-R1914 IonicContact OD1-CZ 2.72Å; D1912-R1914 PolarHBondContact OD1-N 3.14Å; D1912-R1914 IonicContact OD1-NE 3.56Å; D1912-R1914 PolarHBondContact OD1-NE 3.42Å; D1912-R1914 IonicContact OD1-NH2 3.44Å; D1912-R1914 IonicContact OD2-CZ 3.01Å; D1912-R1914 VanDerWaalsContact OD2-CZ 3.25Å; D1912-R1914 IonicContact OD2-NE 2.82Å; D1912-R1914 PolarHBondContact OD2-NE 2.82Å; D1912-R1914 IonicContact OD2-NH2 3.56Å; D1912-R1914 PolarHBondContact OD2-NH2 2.84Å; D1912-P1915 VanDerWaalsContact O-CD 3.27Å; D1912-P1915 WeakPolarHBondContact O-CD 3.44Å | ||
| 1913 | L | 81.6 | Confident | 77 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.052 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -77.6 | -18.9 | 178.7 | -64.5 | 176.7 | 0 | 0 | 0 | 112.5 | L1881 L1901 K1905 V1911 P1915 Y1916 M1917 L1932 | L1881-L1913 HydrophobicContact CD1-CD2 3.57Å; L1881-L1913 HydrophobicContact CD2-CD2 3.89Å; L1881-L1913 HydrophobicContact CG-CD2 4.38Å; L1901-L1913 HydrophobicContact CD1-CD1 4.45Å; L1901-L1913 HydrophobicContact CD1-CD2 4.12Å; L1901-L1913 HydrophobicContact CG-CD1 4.46Å; K1905-L1913 HydrophobicContact CB-CD1 4.44Å; K1905-L1913 HydrophobicContact CD-CD1 3.92Å; K1905-L1913 HydrophobicContact CG-CD1 4.28Å; V1911-L1913 PolarHBondContact O-N 3.24Å; L1913-P1915 VanDerWaalsContact C-CD 3.46Å; L1913-Y1916 PolarHBondContact O-N 2.78Å; L1913-M1917 HydrophobicContact CB-CG 4.46Å; L1913-M1917 HydrophobicContact CB-SD 3.86Å; L1913-M1917 WeakPolarHBondContact O-CG 3.4Å; L1913-M1917 PolarHBondContact O-N 3.14Å; L1913-L1932 HydrophobicContact CD1-CD1 3.5Å; L1913-L1932 VanDerWaalsContact CD1-CD1 3.5Å |
| 1914 | R | 76.4 | Confident | 76.7 | Confident | 177 Ų | 177 | 72.6 Ų | 72.6 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -53.1 | -46.3 | -175 | -72.3 | 178.1 | -72.7 | -177.8 | -1.4 | 113.5 | D1912 Y1916 M1917 Q1918 | D1912-R1914 VanDerWaalsContact C-N 3.32Å; D1912-R1914 VanDerWaalsContact OD1-CB 3.28Å; D1912-R1914 WeakPolarHBondContact OD1-CB 3.49Å; D1912-R1914 WeakPolarHBondContact OD1-CG 3.41Å; D1912-R1914 IonicContact OD1-CZ 2.72Å; D1912-R1914 PolarHBondContact OD1-N 3.14Å; D1912-R1914 IonicContact OD1-NE 3.56Å; D1912-R1914 PolarHBondContact OD1-NE 3.42Å; D1912-R1914 IonicContact OD1-NH2 3.44Å; D1912-R1914 IonicContact OD2-CZ 3.01Å; D1912-R1914 VanDerWaalsContact OD2-CZ 3.25Å; D1912-R1914 IonicContact OD2-NE 2.82Å; D1912-R1914 PolarHBondContact OD2-NE 2.82Å; D1912-R1914 IonicContact OD2-NH2 3.56Å; D1912-R1914 PolarHBondContact OD2-NH2 2.84Å; R1914-Y1916 VanDerWaalsContact C-N 3.28Å; R1914-Y1916 PolarHBondContact O-N 2.98Å; R1914-M1917 PolarHBondContact O-N 3.43Å; R1914-Q1918 WeakPolarHBondContact O-CG 3.38Å; R1914-Q1918 PolarHBondContact O-N 2.93Å |
| 1915 | P | 76.5 | Confident | 76.4 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -34.7 | 179.2 | -20.6 | 33.1 | 0 | 0 | 0 | 113.1 | D1912 L1913 | D1912-P1915 VanDerWaalsContact O-CD 3.27Å; D1912-P1915 WeakPolarHBondContact O-CD 3.44Å; L1913-P1915 VanDerWaalsContact C-CD 3.46Å |
| 1916 | Y | 78.7 | Confident | 76.2 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 27% | 0.267 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -83.7 | -17.8 | -178.3 | -58.7 | -85.5 | 0 | 0 | 0 | 112.9 | L1881 L1885 L1913 R1914 | L1881-Y1916 HydrophobicContact CD2-CD1 4.4Å; L1881-Y1916 HydrophobicContact CD2-CD2 3.65Å; L1881-Y1916 HydrophobicContact CD2-CE2 3.87Å; L1881-Y1916 HydrophobicContact CD2-CG 3.94Å; L1885-Y1916 HydrophobicContact CD1-CG 4.38Å; L1913-Y1916 PolarHBondContact O-N 2.78Å; R1914-Y1916 VanDerWaalsContact C-N 3.28Å; R1914-Y1916 PolarHBondContact O-N 2.98Å |
| 1917 | M | 75.8 | Confident | 76.3 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.015 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -93.8 | -8.6 | 178.8 | -70.9 | 176.4 | 55.8 | 0 | 0 | 114.1 | L1885 L1913 R1914 S1919 F1920 Q1925 I1928 | L1885-M1917 HydrophobicContact CD2-CG 4.18Å; L1913-M1917 HydrophobicContact CB-CG 4.46Å; L1913-M1917 HydrophobicContact CB-SD 3.86Å; L1913-M1917 WeakPolarHBondContact O-CG 3.4Å; L1913-M1917 PolarHBondContact O-N 3.14Å; R1914-M1917 PolarHBondContact O-N 3.43Å; M1917-S1919 PolarHBondContact O-N 3.21Å; M1917-S1919 VanDerWaalsContact O-N 3.14Å; M1917-F1920 HydrophobicContact CB-CD2 4.4Å; M1917-F1920 WeakPolarHBondContact O-CB 3.22Å; M1917-F1920 PolarHBondContact O-N 3.09Å; M1917-Q1925 HydrophobicContact CB-CG 4.32Å; M1917-Q1925 HydrophobicContact CE-CB 3.95Å; M1917-Q1925 HydrophobicContact CE-CG 4.23Å; M1917-Q1925 PolarHBondContact O-NE2 3.28Å; M1917-Q1925 VanDerWaalsContact O-NE2 3.09Å; M1917-I1928 HydrophobicContact CE-CB 3.5Å; M1917-I1928 HydrophobicContact CE-CD1 3.85Å; M1917-I1928 HydrophobicContact CE-CG1 4.27Å; M1917-I1928 HydrophobicContact CE-CG2 3.49Å; M1917-I1928 VanDerWaalsContact CE-CG2 3.49Å; M1917-I1928 HydrophobicContact SD-CB 4.46Å; M1917-I1928 HydrophobicContact SD-CG2 3.8Å |
| 1918 | Q | 73.7 | Confident | 76.5 | Confident | 151 Ų | 151 | 70.3 Ų | 70.3 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.6 | -179.5 | -81.8 | 175.8 | 2.9 | 0 | 0 | 113.8 | R1914 F1920 | R1914-Q1918 WeakPolarHBondContact O-CG 3.38Å; R1914-Q1918 PolarHBondContact O-N 2.93Å; Q1918-F1920 PolarHBondContact O-N 3.46Å |
| 1919 | S | 68.3 | Low | 76.4 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 70% | 0.699 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.4 | 176.1 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | M1917 | M1917-S1919 PolarHBondContact O-N 3.21Å; M1917-S1919 VanDerWaalsContact O-N 3.14Å |
| 1920 | F | 70.1 | Confident | 76.3 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -93.7 | 140.8 | 176 | -57.2 | -72.1 | 0 | 0 | 0 | 110.4 | L1885 M1917 Q1918 F1924 Q1925 I1928 | L1885-F1920 HydrophobicContact CB-CE2 4.33Å; L1885-F1920 HydrophobicContact CD2-CE2 4.24Å; L1885-F1920 WeakPolarHBondContact O-CZ 3.49Å; M1917-F1920 HydrophobicContact CB-CD2 4.4Å; M1917-F1920 WeakPolarHBondContact O-CB 3.22Å; M1917-F1920 PolarHBondContact O-N 3.09Å; Q1918-F1920 PolarHBondContact O-N 3.46Å; F1920-F1924 HydrophobicContact CB-CB 4.25Å; F1920-F1924 HydrophobicContact CB-CD1 3.73Å; F1920-F1924 HydrophobicContact CB-CG 4.45Å; F1920-F1924 AromaticContact CD1-CD1 3.54Å; F1920-F1924 HydrophobicContact CD1-CD1 3.54Å; F1920-F1924 AromaticContact CD1-CE1 3.7Å; F1920-F1924 HydrophobicContact CD1-CE1 3.7Å; F1920-F1924 HydrophobicContact CE1-CD1 4.31Å; F1920-F1924 HydrophobicContact CE1-CE1 4.01Å; F1920-F1924 AromaticContact CG-CD1 3.69Å; F1920-F1924 HydrophobicContact CG-CD1 3.69Å; F1920-F1924 HydrophobicContact CG-CE1 4.16Å; F1920-Q1925 HydrophobicContact CB-CG 4.24Å; F1920-Q1925 WeakPolarHBondContact O-CG 3.5Å; F1920-Q1925 PolarHBondContact O-NE2 3.26Å; F1920-I1928 HydrophobicContact CD2-CD1 4.29Å |
| 1921 | G | 69 | Low | 76.1 | Confident | 52 Ų | 52 | 70.6 Ų | 70.6 | 54% | 0.536 | 38% | 0.375 | S | S | . | . | trans | -61.4 | 153.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1923 F1924 Q1925 | G1921-A1923 PolarHBondContact O-N 3.09Å; G1921-A1923 VanDerWaalsContact O-N 3.12Å; G1921-F1924 CarbonylContact O-C 3.59Å; G1921-F1924 WeakPolarHBondContact O-CA 3.41Å; G1921-F1924 WeakPolarHBondContact O-CB 3.32Å; G1921-F1924 PolarHBondContact O-N 3.22Å; G1921-Q1925 PolarHBondContact O-N 3.46Å | ||
| 1922 | T | 74.1 | Confident | 75.8 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 68% | 0.681 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -51.6 | -37.1 | -175.6 | 46.3 | 0 | 0 | 0 | 0 | 114.3 | Q1925 S1926 | T1922-Q1925 PolarHBondContact O-N 3.35Å; T1922-S1926 WeakPolarHBondContact O-CB 3.43Å; T1922-S1926 PolarHBondContact O-N 3.03Å; T1922-S1926 PolarHBondContact O-OG 3.46Å |
| 1923 | A | 65.3 | Low | 75.1 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 55% | 0.554 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1921 S1926 F1927 | G1921-A1923 PolarHBondContact O-N 3.09Å; G1921-A1923 VanDerWaalsContact O-N 3.12Å; A1923-S1926 PolarHBondContact O-N 3.4Å; A1923-F1927 PolarHBondContact O-N 2.74Å |
| 1924 | F | 74 | Confident | 73.5 | Confident | 66 Ų | 66 | 76.4 Ų | 76.4 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -75.8 | -35.2 | 177.3 | -161.2 | -104.8 | 0 | 0 | 0 | 111.8 | V1888 F1920 G1921 S1926 F1927 I1928 | V1888-F1924 HydrophobicContact CG1-CE1 3.85Å; V1888-F1924 HydrophobicContact CG1-CZ 3.91Å; F1920-F1924 HydrophobicContact CB-CB 4.25Å; F1920-F1924 HydrophobicContact CB-CD1 3.73Å; F1920-F1924 HydrophobicContact CB-CG 4.45Å; F1920-F1924 AromaticContact CD1-CD1 3.54Å; F1920-F1924 HydrophobicContact CD1-CD1 3.54Å; F1920-F1924 AromaticContact CD1-CE1 3.7Å; F1920-F1924 HydrophobicContact CD1-CE1 3.7Å; F1920-F1924 HydrophobicContact CE1-CD1 4.31Å; F1920-F1924 HydrophobicContact CE1-CE1 4.01Å; F1920-F1924 AromaticContact CG-CD1 3.69Å; F1920-F1924 HydrophobicContact CG-CD1 3.69Å; F1920-F1924 HydrophobicContact CG-CE1 4.16Å; G1921-F1924 CarbonylContact O-C 3.59Å; G1921-F1924 WeakPolarHBondContact O-CA 3.41Å; G1921-F1924 WeakPolarHBondContact O-CB 3.32Å; G1921-F1924 PolarHBondContact O-N 3.22Å; F1924-S1926 VanDerWaalsContact C-N 3.31Å; F1924-S1926 PolarHBondContact O-N 2.98Å; F1924-F1927 HydrophobicContact CD2-CD1 4.15Å; F1924-F1927 AromaticContact CE2-CD1 3.95Å; F1924-F1927 HydrophobicContact CE2-CD1 3.95Å; F1924-F1927 HydrophobicContact CE2-CE1 4.18Å; F1924-F1927 HydrophobicContact CZ-CD1 4.41Å; F1924-F1927 WeakPolarHBondContact O-CB 3.29Å; F1924-F1927 PolarHBondContact O-N 2.74Å; F1924-I1928 HydrophobicContact CD1-CD1 3.67Å; F1924-I1928 HydrophobicContact CD1-CG1 4.24Å; F1924-I1928 HydrophobicContact CE1-CD1 3.68Å; F1924-I1928 HydrophobicContact CE1-CG1 4.19Å; F1924-I1928 WeakPolarHBondContact O-CG1 3.37Å; F1924-I1928 PolarHBondContact O-N 2.92Å |
| 1925 | Q | 80.8 | Confident | 71.9 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 169 | -63.9 | -179.3 | 10.9 | 0 | 0 | 111 | M1917 F1920 G1921 T1922 F1927 I1928 N1929 | M1917-Q1925 HydrophobicContact CB-CG 4.32Å; M1917-Q1925 HydrophobicContact CE-CB 3.95Å; M1917-Q1925 HydrophobicContact CE-CG 4.23Å; M1917-Q1925 PolarHBondContact O-NE2 3.28Å; M1917-Q1925 VanDerWaalsContact O-NE2 3.09Å; F1920-Q1925 HydrophobicContact CB-CG 4.24Å; F1920-Q1925 WeakPolarHBondContact O-CG 3.5Å; F1920-Q1925 PolarHBondContact O-NE2 3.26Å; G1921-Q1925 PolarHBondContact O-N 3.46Å; T1922-Q1925 PolarHBondContact O-N 3.35Å; Q1925-F1927 VanDerWaalsContact C-N 3.34Å; Q1925-F1927 PolarHBondContact O-N 3.3Å; Q1925-I1928 PolarHBondContact O-N 2.89Å; Q1925-N1929 WeakPolarHBondContact O-CB 3.4Å; Q1925-N1929 VanDerWaalsContact O-CG 3.25Å; Q1925-N1929 PolarHBondContact O-N 2.81Å; Q1925-N1929 PolarHBondContact O-ND2 3.26Å |
| 1926 | S | 75.9 | Confident | 70.1 | Confident | 75 Ų | 75 | 76.4 Ų | 76.4 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | T1922 A1923 F1924 N1929 R1930 | T1922-S1926 WeakPolarHBondContact O-CB 3.43Å; T1922-S1926 PolarHBondContact O-N 3.03Å; T1922-S1926 PolarHBondContact O-OG 3.46Å; A1923-S1926 PolarHBondContact O-N 3.4Å; F1924-S1926 VanDerWaalsContact C-N 3.31Å; F1924-S1926 PolarHBondContact O-N 2.98Å; S1926-N1929 PolarHBondContact O-N 3.47Å; S1926-R1930 VanDerWaalsContact O-CB 3.23Å; S1926-R1930 WeakPolarHBondContact O-CB 3.38Å; S1926-R1930 PolarHBondContact O-N 2.78Å |
| 1927 | F | 81.1 | Confident | 67.9 | Low | 65 Ų | 65 | 80.1 Ų | 80.1 | 29% | 0.285 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 173.3 | 167.5 | -93.9 | 0 | 0 | 0 | 112.1 | L1898 A1923 F1924 Q1925 H1931 | L1898-F1927 HydrophobicContact CD1-CE1 3.8Å; L1898-F1927 HydrophobicContact CD1-CZ 3.95Å; A1923-F1927 PolarHBondContact O-N 2.74Å; F1924-F1927 HydrophobicContact CD2-CD1 4.15Å; F1924-F1927 AromaticContact CE2-CD1 3.95Å; F1924-F1927 HydrophobicContact CE2-CD1 3.95Å; F1924-F1927 HydrophobicContact CE2-CE1 4.18Å; F1924-F1927 HydrophobicContact CZ-CD1 4.41Å; F1924-F1927 WeakPolarHBondContact O-CB 3.29Å; F1924-F1927 PolarHBondContact O-N 2.74Å; Q1925-F1927 VanDerWaalsContact C-N 3.34Å; Q1925-F1927 PolarHBondContact O-N 3.3Å; F1927-H1931 AromaticContact CD2-CE1 3.57Å; F1927-H1931 AromaticContact CD2-ND1 3.8Å; F1927-H1931 AromaticContact CE2-CE1 3.15Å; F1927-H1931 WeakPolarHBondContact CE2-CE1 3.41Å; F1927-H1931 AromaticContact CE2-ND1 3.7Å; F1927-H1931 AromaticContact CZ-CE1 3.58Å; F1927-H1931 AromaticContact CZ-ND1 3.92Å; F1927-H1931 PolarHBondContact O-N 3.34Å; F1927-H1931 VanDerWaalsContact O-N 3.14Å; F1927-H1931 PolarHBondContact O-ND1 3.47Å |
| 1928 | I | 84.5 | Confident | 65.5 | Low | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 176.6 | -66.9 | 166.5 | 0 | 0 | 0 | 110 | V1888 L1898 L1901 M1917 F1920 F1924 Q1925 R1930 H1931 L1932 | V1888-I1928 HydrophobicContact CG1-CD1 3.98Å; V1888-I1928 HydrophobicContact CG1-CG1 4.04Å; L1898-I1928 HydrophobicContact CD2-CG1 4.26Å; L1898-I1928 HydrophobicContact CD2-CG2 4.49Å; L1901-I1928 HydrophobicContact CD2-CG2 3.66Å; M1917-I1928 HydrophobicContact CE-CB 3.5Å; M1917-I1928 HydrophobicContact CE-CD1 3.85Å; M1917-I1928 HydrophobicContact CE-CG1 4.27Å; M1917-I1928 HydrophobicContact CE-CG2 3.49Å; M1917-I1928 VanDerWaalsContact CE-CG2 3.49Å; M1917-I1928 HydrophobicContact SD-CB 4.46Å; M1917-I1928 HydrophobicContact SD-CG2 3.8Å; F1920-I1928 HydrophobicContact CD2-CD1 4.29Å; F1924-I1928 HydrophobicContact CD1-CD1 3.67Å; F1924-I1928 HydrophobicContact CD1-CG1 4.24Å; F1924-I1928 HydrophobicContact CE1-CD1 3.68Å; F1924-I1928 HydrophobicContact CE1-CG1 4.19Å; F1924-I1928 WeakPolarHBondContact O-CG1 3.37Å; F1924-I1928 PolarHBondContact O-N 2.92Å; Q1925-I1928 PolarHBondContact O-N 2.89Å; I1928-R1930 PolarHBondContact O-N 3Å; I1928-H1931 CarbonylContact O-C 3.56Å; I1928-H1931 PolarHBondContact O-N 3.39Å; I1928-H1931 VanDerWaalsContact O-N 3.13Å; I1928-L1932 HydrophobicContact CG2-CD1 3.8Å; I1928-L1932 HydrophobicContact CG2-CG 4.34Å; I1928-L1932 WeakPolarHBondContact O-CG 3.07Å; I1928-L1932 PolarHBondContact O-N 3.36Å |
| 1929 | N | 81.9 | Confident | 63.4 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 32% | 0.316 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 179.8 | -74.3 | -25.9 | 0 | 0 | 0 | 112.2 | Q1925 S1926 H1931 L1932 Q1933 | Q1925-N1929 WeakPolarHBondContact O-CB 3.4Å; Q1925-N1929 VanDerWaalsContact O-CG 3.25Å; Q1925-N1929 PolarHBondContact O-N 2.81Å; Q1925-N1929 PolarHBondContact O-ND2 3.26Å; S1926-N1929 PolarHBondContact O-N 3.47Å; N1929-H1931 VanDerWaalsContact C-N 3.31Å; N1929-H1931 PolarHBondContact O-N 2.9Å; N1929-L1932 CarbonylContact O-C 3.52Å; N1929-L1932 PolarHBondContact O-N 3.01Å; N1929-L1932 VanDerWaalsContact O-N 3.08Å; N1929-Q1933 WeakPolarHBondContact O-CB 3.49Å; N1929-Q1933 WeakPolarHBondContact O-CG 3.24Å; N1929-Q1933 PolarHBondContact O-N 2.77Å |
| 1930 | R | 76.2 | Confident | 61.3 | Low | 166 Ų | 166 | 87 Ų | 87 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 175 | -170.3 | 179.8 | 71.4 | 157.9 | 5.8 | 111.9 | S1926 I1928 L1932 S1934 | S1926-R1930 VanDerWaalsContact O-CB 3.23Å; S1926-R1930 WeakPolarHBondContact O-CB 3.38Å; S1926-R1930 PolarHBondContact O-N 2.78Å; I1928-R1930 PolarHBondContact O-N 3Å; R1930-L1932 VanDerWaalsContact C-N 3.32Å; R1930-S1934 WeakPolarHBondContact O-CB 3.27Å; R1930-S1934 PolarHBondContact O-N 2.94Å; R1930-S1934 PolarHBondContact O-OG 3.47Å |
| 1931 | H | 72.6 | Confident | 59.2 | Low | 63 Ų | 63 | 91.9 Ų | 91.9 | 29% | 0.292 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.2 | -22.3 | 174.4 | -75.6 | 82.1 | 0 | 0 | 0 | 113 | L1898 R1902 F1927 I1928 N1929 S1934 | L1898-H1931 HydrophobicContact CD2-CB 4.4Å; R1902-H1931 PolarHBondContact NE-O 3.16Å; R1902-H1931 PolarHBondContact NH2-O 3.42Å; F1927-H1931 AromaticContact CD2-CE1 3.57Å; F1927-H1931 AromaticContact CD2-ND1 3.8Å; F1927-H1931 AromaticContact CE2-CE1 3.15Å; F1927-H1931 WeakPolarHBondContact CE2-CE1 3.41Å; F1927-H1931 AromaticContact CE2-ND1 3.7Å; F1927-H1931 AromaticContact CZ-CE1 3.58Å; F1927-H1931 AromaticContact CZ-ND1 3.92Å; F1927-H1931 PolarHBondContact O-N 3.34Å; F1927-H1931 VanDerWaalsContact O-N 3.14Å; F1927-H1931 PolarHBondContact O-ND1 3.47Å; I1928-H1931 CarbonylContact O-C 3.56Å; I1928-H1931 PolarHBondContact O-N 3.39Å; I1928-H1931 VanDerWaalsContact O-N 3.13Å; N1929-H1931 VanDerWaalsContact C-N 3.31Å; N1929-H1931 PolarHBondContact O-N 2.9Å; H1931-S1934 WeakPolarHBondContact CA-OG 3.46Å; H1931-S1934 PolarHBondContact O-OG 3.42Å |
| 1932 | L | 76.4 | Confident | 57.1 | Low | 13 Ų | 13 | 94.8 Ų | 94.8 | 7% | 0.068 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -83.2 | -31.3 | 173.6 | -70 | 170 | 0 | 0 | 0 | 112.6 | L1901 R1902 K1905 L1913 I1928 N1929 R1930 | L1901-L1932 HydrophobicContact CD2-CD1 4.42Å; L1901-L1932 HydrophobicContact CG-CD2 4.44Å; R1902-L1932 HydrophobicContact CB-CD2 4.21Å; R1902-L1932 HydrophobicContact CG-CD2 4.44Å; K1905-L1932 HydrophobicContact CD-CD1 4.33Å; K1905-L1932 HydrophobicContact CD-CD2 4.21Å; L1913-L1932 HydrophobicContact CD1-CD1 3.5Å; L1913-L1932 VanDerWaalsContact CD1-CD1 3.5Å; I1928-L1932 HydrophobicContact CG2-CD1 3.8Å; I1928-L1932 HydrophobicContact CG2-CG 4.34Å; I1928-L1932 WeakPolarHBondContact O-CG 3.07Å; I1928-L1932 PolarHBondContact O-N 3.36Å; N1929-L1932 CarbonylContact O-C 3.52Å; N1929-L1932 PolarHBondContact O-N 3.01Å; N1929-L1932 VanDerWaalsContact O-N 3.08Å; R1930-L1932 VanDerWaalsContact C-N 3.32Å |
| 1933 | Q | 65.1 | Low | 54.5 | Low | 138 Ų | 138 | 94.4 Ų | 94.4 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -83.9 | -17.6 | -177.8 | -75.3 | 175.3 | -16.8 | 0 | 0 | 114.3 | N1929 D1935 | N1929-Q1933 WeakPolarHBondContact O-CB 3.49Å; N1929-Q1933 WeakPolarHBondContact O-CG 3.24Å; N1929-Q1933 PolarHBondContact O-N 2.77Å; Q1933-D1935 PolarHBondContact O-N 2.6Å |
| 1934 | S | 46.3 | Very low | 52.5 | Low | 67 Ų | 67 | 94.9 Ų | 94.9 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 7.3 | -166 | 19.6 | 0 | 0 | 0 | 0 | 117 | R1930 H1931 | R1930-S1934 WeakPolarHBondContact O-CB 3.27Å; R1930-S1934 PolarHBondContact O-N 2.94Å; R1930-S1934 PolarHBondContact O-OG 3.47Å; H1931-S1934 WeakPolarHBondContact CA-OG 3.46Å; H1931-S1934 PolarHBondContact O-OG 3.42Å |
| 1935 | D | 44.2 | Very low | 50 | Low | 110 Ų | 110 | 97 Ų | 97 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | 8.9 | 174.8 | -72 | -53.3 | 0 | 0 | 0 | 115 | R1902 Q1933 D1937 | R1902-D1935 IonicContact CZ-OD2 3.81Å; R1902-D1935 IonicContact NH1-OD2 3.3Å; R1902-D1935 PolarHBondContact NH1-OD2 3.28Å; R1902-D1935 IonicContact NH2-OD2 3.39Å; Q1933-D1935 PolarHBondContact O-N 2.6Å; D1935-D1937 PolarHBondContact O-N 2.95Å |
| 1936 | D | 39 | Very low | 47.2 | Very low | 139 Ų | 139 | 99.5 Ų | 99.5 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -75.8 | 5 | 176.5 | -83.7 | -24 | 0 | 0 | 0 | 113.5 | ||
| 1937 | D | 32.3 | Very low | 44.5 | Very low | 147 Ų | 147 | 101.9 Ų | 101.9 | 79% | 0.786 | 61% | 0.609 | S | S | * | * | trans | -109.2 | 59.6 | 175.1 | -73.8 | -35.3 | 0 | 0 | 0 | 112.4 | D1935 | D1935-D1937 PolarHBondContact O-N 2.95Š| ||
| 1938 | Q | 24.7 | Very low | 41.6 | Very low | 171 Ų | 171 | 104.3 Ų | 104.3 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | trans | -138.6 | 95.2 | 159.3 | -82.6 | -63.4 | -71.8 | 0 | 0 | 110.2 | ||||
| 1939 | P | 29.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 108.7 Ų | 108.7 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | trans | -70.4 | 142 | 179.5 | -11.5 | 26.6 | 0 | 0 | 0 | 112 | V1941 | P1939-V1941 PolarHBondContact O-N 2.94Š| ||
| 1940 | S | 25 | Very low | 35.8 | Very low | 119 Ų | 119 | 114.5 Ų | 114.5 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -30.9 | 113.8 | 168.5 | 51.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1941 | V | 24.6 | Very low | 33.3 | Very low | 141 Ų | 141 | 112.6 Ų | 112.6 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | trans | -84.6 | 116.1 | 167.9 | 175 | 0 | 0 | 0 | 0 | 109.3 | P1939 | P1939-V1941 PolarHBondContact O-N 2.94Š| ||
| 1942 | S | 25 | Very low | 31 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -109.9 | 109.5 | 165.1 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1943 | A | 21.2 | Very low | 28.4 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | 26.2 | 124.8 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1944 | G | 23.1 | Very low | 26.6 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 158.6 | 91.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1945 | S | 21.4 | Very low | 25.4 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 71.6 | 124.3 | 139.8 | -159.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1946 | S | 21.8 | Very low | 24.5 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 75.7 | 116.5 | 137.3 | 61.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1947 | C | 18.1 | Very low | 23.8 | Very low | 124 Ų | 124 | 136 Ų | 136 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | 53.7 | 111.6 | 140.9 | -89.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1948 | S | 21.6 | Very low | 23.5 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | 152.7 | 111.7 | 107.7 | -77.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1949 | A | 21.9 | Very low | 23.4 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 32.1 | 145.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1950 | E | 21.9 | Very low | 23.2 | Very low | 181 Ų | 181 | 136 Ų | 136 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 86.8 | 88.5 | 159 | -60 | 179.4 | -177.5 | 0 | 0 | 116.4 | ||||
| 1951 | V | 24 | Very low | 23.2 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | 55.5 | 97.6 | 82 | -174.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1952 | F | 24.6 | Very low | 23.3 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | -170 | 107.8 | 122.6 | -110.6 | -79.8 | 0 | 0 | 0 | 108.6 | |||||
| 1953 | G | 22 | Very low | 23.3 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -82.4 | 134.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1954 | H | 25.6 | Very low | 23.6 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -111.8 | 97.5 | 161.4 | -134.4 | -59.8 | 0 | 0 | 0 | 107.9 | ||||
| 1955 | E | 23 | Very low | 23.9 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 26.8 | 94.2 | 134.6 | -61.7 | 177.8 | 154.5 | 0 | 0 | 116.4 | E1957 | E1955-E1957 PolarHBondContact O-N 3.3Š| ||
| 1956 | R | 24.2 | Very low | 24.5 | Very low | 249 Ų | 249 | 144.2 Ų | 144.2 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | trans | -75.3 | 99.4 | 146.1 | -78.8 | -175.4 | -175 | 173.9 | 2.4 | 107.4 | S1958 | R1956-S1958 PolarHBondContact O-N 2.83Š| ||
| 1957 | E | 24.8 | Very low | 25.1 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -56.4 | 127.7 | 168.1 | -73.7 | -176.1 | 144.6 | 0 | 0 | 110.6 | E1955 E1959 | E1955-E1957 PolarHBondContact O-N 3.3Å; E1957-E1959 PolarHBondContact O-N 3.42Å | ||
| 1958 | S | 25.5 | Very low | 26 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -64 | 119.4 | -179.5 | 44.7 | 0 | 0 | 0 | 0 | 112.8 | R1956 N1960 | R1956-S1958 PolarHBondContact O-N 2.83Å; S1958-N1960 PolarHBondContact O-N 3.34Å | ||
| 1959 | E | 23.3 | Very low | 26.9 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -58.6 | 99.9 | 154.4 | -70.1 | -175.2 | 149.7 | 0 | 0 | 109.9 | E1957 | E1957-E1959 PolarHBondContact O-N 3.42Š| ||
| 1960 | N | 25.2 | Very low | 28 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -146.3 | 63.7 | 163.8 | -110.3 | -15 | 0 | 0 | 0 | 111.5 | S1958 | S1958-N1960 PolarHBondContact O-N 3.34Š| ||
| 1961 | S | 25.4 | Very low | 29 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | trans | -134.9 | 58.6 | 159.8 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | Q1963 | S1961-Q1963 PolarHBondContact O-N 3.25Å; S1961-Q1963 VanDerWaalsContact O-N 3.09Å | ||
| 1962 | F | 24.9 | Very low | 30 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -78.5 | 72.4 | 164.5 | -95.4 | -87.9 | 0 | 0 | 0 | 110 | ||||
| 1963 | Q | 25.4 | Very low | 31.1 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.1 | 108.5 | 158.3 | -73.3 | -170.3 | -0.6 | 0 | 0 | 109.2 | S1961 | S1961-Q1963 PolarHBondContact O-N 3.25Å; S1961-Q1963 VanDerWaalsContact O-N 3.09Å |
| 1964 | S | 28.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | 57.6 | 55.1 | 166.7 | 75.7 | 0 | 0 | 0 | 0 | 119.1 | N1966 | S1964-N1966 PolarHBondContact O-N 3.48Š| ||
| 1965 | H | 28.4 | Very low | 33.3 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | trans | -87.9 | 91.8 | 146.9 | -84.2 | -44.4 | 0 | 0 | 0 | 109.5 | ||||
| 1966 | N | 34.4 | Very low | 34.7 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 46% | 0.455 | 66% | 0.661 | S | S | . | * | trans | -60.9 | 142.5 | -178.3 | -98 | -16.9 | 0 | 0 | 0 | 112.2 | S1964 E1968 T1969 | S1964-N1966 PolarHBondContact O-N 3.48Å; N1966-E1968 HydrophobicContact CB-CB 4.33Å; N1966-E1968 PolarHBondContact O-N 3.02Å; N1966-T1969 PolarHBondContact O-N 2.82Å; N1966-T1969 PolarHBondContact O-OG1 3.33Å | ||
| 1967 | Y | 34.8 | Very low | 36.6 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.6 | -25.2 | 162.8 | -171.8 | -108 | 0 | 0 | 0 | 114.9 | T1969 I1970 I1971 | Y1967-T1969 VanDerWaalsContact C-N 3.26Å; Y1967-T1969 PolarHBondContact O-N 2.86Å; Y1967-I1970 PolarHBondContact O-N 3.05Å; Y1967-I1971 HydrophobicContact CD1-CD1 3.67Å; Y1967-I1971 HydrophobicContact CD1-CG1 4.35Å; Y1967-I1971 HydrophobicContact CE1-CD1 3.52Å; Y1967-I1971 HydrophobicContact CE1-CG1 4.27Å; Y1967-I1971 PolarHBondContact O-N 3.36Å; Y1967-I1971 VanDerWaalsContact O-N 3.14Å |
| 1968 | E | 36.2 | Very low | 38 | Very low | 138 Ų | 138 | 126.9 Ų | 126.9 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.7 | -30.7 | 171.5 | -73.2 | 170.2 | 151.2 | 0 | 0 | 113.7 | N1966 I1971 A1972 | N1966-E1968 HydrophobicContact CB-CB 4.33Å; N1966-E1968 PolarHBondContact O-N 3.02Å; E1968-I1971 PolarHBondContact O-N 3.31Å; E1968-A1972 WeakPolarHBondContact O-CB 3.37Å; E1968-A1972 PolarHBondContact O-N 3.42Å |
| 1969 | T | 42.4 | Very low | 39.4 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.4 | -32.6 | 179.2 | -38.7 | 0 | 0 | 0 | 0 | 111.9 | N1966 Y1967 A1972 R1973 | N1966-T1969 PolarHBondContact O-N 2.82Å; N1966-T1969 PolarHBondContact O-OG1 3.33Å; Y1967-T1969 VanDerWaalsContact C-N 3.26Å; Y1967-T1969 PolarHBondContact O-N 2.86Å; T1969-A1972 PolarHBondContact O-N 2.85Å; T1969-R1973 PolarHBondContact O-N 2.95Å |
| 1970 | I | 43.6 | Very low | 41.3 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 59% | 0.585 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -42.4 | 174.7 | -63.4 | 175.7 | 0 | 0 | 0 | 109.3 | Y1967 A1974 | Y1967-I1970 PolarHBondContact O-N 3.05Å; I1970-A1974 VanDerWaalsContact O-CB 3.28Å; I1970-A1974 WeakPolarHBondContact O-CB 3.2Å; I1970-A1974 PolarHBondContact O-N 3.11Å |
| 1971 | I | 43 | Very low | 43.2 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 173.1 | -66.5 | 178.5 | 0 | 0 | 0 | 110.4 | Y1967 E1968 A1974 Y1975 | Y1967-I1971 HydrophobicContact CD1-CD1 3.67Å; Y1967-I1971 HydrophobicContact CD1-CG1 4.35Å; Y1967-I1971 HydrophobicContact CE1-CD1 3.52Å; Y1967-I1971 HydrophobicContact CE1-CG1 4.27Å; Y1967-I1971 PolarHBondContact O-N 3.36Å; Y1967-I1971 VanDerWaalsContact O-N 3.14Å; E1968-I1971 PolarHBondContact O-N 3.31Å; I1971-A1974 PolarHBondContact O-N 2.99Å; I1971-Y1975 HydrophobicContact CG2-CD2 3.57Å; I1971-Y1975 HydrophobicContact CG2-CE2 3.87Å; I1971-Y1975 VanDerWaalsContact O-CB 3.31Å; I1971-Y1975 WeakPolarHBondContact O-CB 3.3Å; I1971-Y1975 WeakPolarHBondContact O-CD2 3.17Å; I1971-Y1975 PolarHBondContact O-N 3.14Å |
| 1972 | A | 45.9 | Very low | 44.6 | Very low | 56 Ų | 56 | 118.5 Ų | 118.5 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -39.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1968 T1969 Y1975 H1976 | E1968-A1972 WeakPolarHBondContact O-CB 3.37Å; E1968-A1972 PolarHBondContact O-N 3.42Å; T1969-A1972 PolarHBondContact O-N 2.85Å; A1972-Y1975 PolarHBondContact O-N 3.27Å; A1972-H1976 VanDerWaalsContact O-CB 3.25Å; A1972-H1976 WeakPolarHBondContact O-CB 3.37Å; A1972-H1976 PolarHBondContact O-N 3.43Å |
| 1973 | R | 46.1 | Very low | 46.1 | Very low | 188 Ų | 188 | 117.9 Ų | 117.9 | 71% | 0.709 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.4 | -39.6 | 173.5 | -101.8 | -175.8 | -170.1 | 147 | 3.2 | 112.5 | T1969 Y1975 H1976 Q1977 | T1969-R1973 PolarHBondContact O-N 2.95Å; R1973-Y1975 VanDerWaalsContact C-N 3.34Å; R1973-H1976 PolarHBondContact O-N 3.05Å; R1973-Q1977 WeakPolarHBondContact O-CB 3.46Å; R1973-Q1977 PolarHBondContact O-N 3.03Å |
| 1974 | A | 47.9 | Very low | 47.9 | Very low | 52 Ų | 52 | 117.6 Ų | 117.6 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.7 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1970 I1971 R1978 | I1970-A1974 VanDerWaalsContact O-CB 3.28Å; I1970-A1974 WeakPolarHBondContact O-CB 3.2Å; I1970-A1974 PolarHBondContact O-N 3.11Å; I1971-A1974 PolarHBondContact O-N 2.99Å; A1974-R1978 WeakPolarHBondContact O-CB 3.26Å; A1974-R1978 PolarHBondContact O-N 3.3Å |
| 1975 | Y | 45.8 | Very low | 49.5 | Very low | 124 Ų | 124 | 118 Ų | 118 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -42 | 172.9 | -101.4 | -85.3 | 0 | 0 | 0 | 111.7 | S6 I1971 A1972 R1973 R1978 L1979 | S6-Y1975 PolarHBondContact O-OH 3.19Å; I1971-Y1975 HydrophobicContact CG2-CD2 3.57Å; I1971-Y1975 HydrophobicContact CG2-CE2 3.87Å; I1971-Y1975 VanDerWaalsContact O-CB 3.31Å; I1971-Y1975 WeakPolarHBondContact O-CB 3.3Å; I1971-Y1975 WeakPolarHBondContact O-CD2 3.17Å; I1971-Y1975 PolarHBondContact O-N 3.14Å; A1972-Y1975 PolarHBondContact O-N 3.27Å; R1973-Y1975 VanDerWaalsContact C-N 3.34Å; Y1975-R1978 CarbonylContact O-C 3.49Å; Y1975-R1978 PolarHBondContact O-N 3.04Å; Y1975-L1979 VanDerWaalsContact O-CB 3.3Å; Y1975-L1979 WeakPolarHBondContact O-CB 3.3Å; Y1975-L1979 PolarHBondContact O-N 3.23Å |
| 1976 | H | 53.2 | Low | 50.3 | Low | 118 Ų | 118 | 113 Ų | 113 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.1 | -175.5 | -84.7 | 0 | 0 | 0 | 111.8 | A1972 R1973 L1979 L1980 | A1972-H1976 VanDerWaalsContact O-CB 3.25Å; A1972-H1976 WeakPolarHBondContact O-CB 3.37Å; A1972-H1976 PolarHBondContact O-N 3.43Å; R1973-H1976 PolarHBondContact O-N 3.05Å; H1976-L1979 PolarHBondContact O-N 3.34Å; H1976-L1980 WeakPolarHBondContact CE1-CD1 3.42Å; H1976-L1980 WeakPolarHBondContact ND1-CD1 3.44Å; H1976-L1980 WeakPolarHBondContact O-CB 3.32Å; H1976-L1980 WeakPolarHBondContact O-CG 3.17Å; H1976-L1980 PolarHBondContact O-N 3.39Å |
| 1977 | Q | 64.6 | Low | 50.5 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 66% | 0.659 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.5 | -39.1 | 173.3 | -87.6 | -173.9 | -36.3 | 0 | 0 | 111.7 | R1973 L1979 L1980 Q1981 | R1973-Q1977 WeakPolarHBondContact O-CB 3.46Å; R1973-Q1977 PolarHBondContact O-N 3.03Å; Q1977-L1979 VanDerWaalsContact C-N 3.33Å; Q1977-L1980 PolarHBondContact O-N 3.41Å; Q1977-Q1981 WeakPolarHBondContact O-CB 3.49Å; Q1977-Q1981 PolarHBondContact O-N 3.38Å |
| 1978 | R | 53.8 | Low | 50.7 | Low | 147 Ų | 147 | 110.5 Ų | 110.5 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -34.6 | 174.8 | -166.1 | 68.9 | 179.7 | 169.6 | 5.3 | 111.5 | A1974 Y1975 L1982 | A1974-R1978 WeakPolarHBondContact O-CB 3.26Å; A1974-R1978 PolarHBondContact O-N 3.3Å; Y1975-R1978 CarbonylContact O-C 3.49Å; Y1975-R1978 PolarHBondContact O-N 3.04Å; R1978-L1982 HydrophobicContact CG-CD1 3.97Å; R1978-L1982 HydrophobicContact CG-CG 4.39Å; R1978-L1982 WeakPolarHBondContact O-CB 3.39Å; R1978-L1982 WeakPolarHBondContact O-CD1 3.21Å; R1978-L1982 WeakPolarHBondContact O-CG 3.48Å; R1978-L1982 PolarHBondContact O-N 3.41Å |
| 1979 | L | 55.5 | Low | 50.8 | Low | 103 Ų | 103 | 106.2 Ų | 106.2 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71 | -39 | 174.1 | -110.7 | 132.2 | 0 | 0 | 0 | 112.2 | Y1975 H1976 Q1977 R1983 | Y1975-L1979 VanDerWaalsContact O-CB 3.3Å; Y1975-L1979 WeakPolarHBondContact O-CB 3.3Å; Y1975-L1979 PolarHBondContact O-N 3.23Å; H1976-L1979 PolarHBondContact O-N 3.34Å; Q1977-L1979 VanDerWaalsContact C-N 3.33Å; L1979-R1983 VanDerWaalsContact O-CB 3.31Å; L1979-R1983 WeakPolarHBondContact O-CB 3.38Å; L1979-R1983 PolarHBondContact O-N 3.07Å |
| 1980 | L | 63.5 | Low | 50.4 | Low | 93 Ų | 93 | 110.2 Ų | 110.2 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -43.3 | 172.7 | -79.8 | 171.5 | 0 | 0 | 0 | 111.3 | H1976 Q1977 R1983 K1984 | H1976-L1980 WeakPolarHBondContact CE1-CD1 3.42Å; H1976-L1980 WeakPolarHBondContact ND1-CD1 3.44Å; H1976-L1980 WeakPolarHBondContact O-CB 3.32Å; H1976-L1980 WeakPolarHBondContact O-CG 3.17Å; H1976-L1980 PolarHBondContact O-N 3.39Å; Q1977-L1980 PolarHBondContact O-N 3.41Å; L1980-R1983 PolarHBondContact O-N 3.28Å; L1980-K1984 WeakPolarHBondContact O-CB 3.35Å; L1980-K1984 PolarHBondContact O-N 3.2Å |
| 1981 | Q | 63.3 | Low | 49.7 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 44% | 0.435 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.9 | -45.8 | 176.5 | -170.2 | 76.1 | 25 | 0 | 0 | 110.6 | Q1977 R1983 K1984 E1985 | Q1977-Q1981 WeakPolarHBondContact O-CB 3.49Å; Q1977-Q1981 PolarHBondContact O-N 3.38Å; Q1981-R1983 PolarHBondContact O-N 3.48Å; Q1981-K1984 CarbonylContact O-C 3.58Å; Q1981-K1984 PolarHBondContact O-N 2.98Å; Q1981-K1984 VanDerWaalsContact O-N 3.15Å; Q1981-E1985 HydrophobicContact CG-CG 4.46Å; Q1981-E1985 VanDerWaalsContact CG-OE1 3.24Å; Q1981-E1985 WeakPolarHBondContact CG-OE1 3.22Å; Q1981-E1985 PolarHBondContact NE2-OE1 3.08Å; Q1981-E1985 WeakPolarHBondContact O-CB 3.38Å; Q1981-E1985 VanDerWaalsContact O-CG 3.3Å; Q1981-E1985 WeakPolarHBondContact O-CG 3.41Å; Q1981-E1985 PolarHBondContact O-N 3.14Å |
| 1982 | L | 54.8 | Low | 49.3 | Very low | 75 Ų | 75 | 115.2 Ų | 115.2 | 39% | 0.393 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66 | -34.9 | 175.4 | -75.1 | 167.6 | 0 | 0 | 0 | 111.9 | R1978 K1984 E1985 S1986 | R1978-L1982 HydrophobicContact CG-CD1 3.97Å; R1978-L1982 HydrophobicContact CG-CG 4.39Å; R1978-L1982 WeakPolarHBondContact O-CB 3.39Å; R1978-L1982 WeakPolarHBondContact O-CD1 3.21Å; R1978-L1982 WeakPolarHBondContact O-CG 3.48Å; R1978-L1982 PolarHBondContact O-N 3.41Å; L1982-K1984 VanDerWaalsContact C-N 3.3Å; L1982-K1984 PolarHBondContact O-N 2.95Å; L1982-E1985 PolarHBondContact O-N 3.06Å; L1982-S1986 WeakPolarHBondContact O-CB 3.26Å; L1982-S1986 PolarHBondContact O-N 3.45Å; L1982-S1986 PolarHBondContact O-OG 3.46Å |
| 1983 | R | 56.9 | Low | 48.4 | Very low | 159 Ų | 159 | 116.7 Ų | 116.7 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.1 | -39.5 | 171.4 | -107.7 | -174.3 | 178.6 | 161.9 | -1.4 | 112 | L1979 L1980 Q1981 G1987 L1988 | L1979-R1983 VanDerWaalsContact O-CB 3.31Å; L1979-R1983 WeakPolarHBondContact O-CB 3.38Å; L1979-R1983 PolarHBondContact O-N 3.07Å; L1980-R1983 PolarHBondContact O-N 3.28Å; Q1981-R1983 PolarHBondContact O-N 3.48Å; R1983-G1987 PolarHBondContact O-N 3.26Å; R1983-L1988 PolarHBondContact O-N 3.01Å; R1983-L1988 VanDerWaalsContact O-N 3.13Å |
| 1984 | K | 63.8 | Low | 47.5 | Very low | 172 Ų | 172 | 112.5 Ų | 112.5 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.2 | -36 | 178.4 | -150 | 175.2 | -173.6 | -179.9 | 0 | 111.9 | L1980 Q1981 L1982 | L1980-K1984 WeakPolarHBondContact O-CB 3.35Å; L1980-K1984 PolarHBondContact O-N 3.2Å; Q1981-K1984 CarbonylContact O-C 3.58Å; Q1981-K1984 PolarHBondContact O-N 2.98Å; Q1981-K1984 VanDerWaalsContact O-N 3.15Å; L1982-K1984 VanDerWaalsContact C-N 3.3Å; L1982-K1984 PolarHBondContact O-N 2.95Å |
| 1985 | E | 62.7 | Low | 46.5 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.6 | -27.2 | 177.6 | -73.3 | 169.9 | -175.2 | 0 | 0 | 112.4 | Q1981 L1982 | Q1981-E1985 HydrophobicContact CG-CG 4.46Å; Q1981-E1985 VanDerWaalsContact CG-OE1 3.24Å; Q1981-E1985 WeakPolarHBondContact CG-OE1 3.22Å; Q1981-E1985 PolarHBondContact NE2-OE1 3.08Å; Q1981-E1985 WeakPolarHBondContact O-CB 3.38Å; Q1981-E1985 VanDerWaalsContact O-CG 3.3Å; Q1981-E1985 WeakPolarHBondContact O-CG 3.41Å; Q1981-E1985 PolarHBondContact O-N 3.14Å; L1982-E1985 PolarHBondContact O-N 3.06Å |
| 1986 | S | 43.4 | Very low | 45.4 | Very low | 80 Ų | 80 | 114.5 Ų | 114.5 | 56% | 0.559 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 18.9 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 113.4 | L1982 L1988 | L1982-S1986 WeakPolarHBondContact O-CB 3.26Å; L1982-S1986 PolarHBondContact O-N 3.45Å; L1982-S1986 PolarHBondContact O-OG 3.46Å; S1986-L1988 PolarHBondContact O-N 2.84Å |
| 1987 | G | 39 | Very low | 44 | Very low | 68 Ų | 68 | 116.7 Ų | 116.7 | 70% | 0.701 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.2 | 3.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117 | R1983 G1989 | R1983-G1987 PolarHBondContact O-N 3.26Å; G1987-G1989 PolarHBondContact O-N 3.14Å; G1987-G1989 VanDerWaalsContact O-N 3.08Å |
| 1988 | L | 38.9 | Very low | 42.2 | Very low | 138 Ų | 138 | 114.4 Ų | 114.4 | 72% | 0.723 | 66% | 0.659 | S | S | * | * | trans | -88.5 | 44.5 | -178.3 | -76.6 | 157.3 | 0 | 0 | 0 | 111.7 | R1983 S1986 | R1983-L1988 PolarHBondContact O-N 3.01Å; R1983-L1988 VanDerWaalsContact O-N 3.13Å; S1986-L1988 PolarHBondContact O-N 2.84Å | ||
| 1989 | G | 37.9 | Very low | 40.8 | Very low | 48 Ų | 48 | 112.2 Ų | 112.2 | 50% | 0.495 | 67% | 0.666 | S | S | . | * | trans | -93.9 | -24.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | G1987 | G1987-G1989 PolarHBondContact O-N 3.14Å; G1987-G1989 VanDerWaalsContact O-N 3.08Å | ||
| 1990 | D | 35.3 | Very low | 39.3 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 84% | 0.84 | 68% | 0.68 | S | S | * | * | trans | -142.8 | 105.9 | -166.7 | -68.5 | -49.5 | 0 | 0 | 0 | 112.1 | ||||
| 1991 | L | 28.6 | Very low | 37.4 | Very low | 188 Ų | 188 | 118.6 Ų | 118.6 | 98% | 0.984 | 69% | 0.689 | S | S | * | * | trans | -162.9 | 76.9 | 162.3 | -106 | 147 | 0 | 0 | 0 | 110 | ||||
| 1992 | A | 34 | Very low | 35.5 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 88% | 0.876 | 70% | 0.704 | S | S | * | * | trans | -162.1 | 81.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1993 | A | 28.5 | Very low | 34.1 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -81.7 | 154.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1994 | S | 26.8 | Very low | 32.5 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | 58.6 | 119.3 | 142.1 | 49.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1995 | N | 25.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | -175.7 | 103.4 | 122 | -89.4 | -24.7 | 0 | 0 | 0 | 109.1 | |||||
| 1996 | S | 24.5 | Very low | 28.9 | Very low | 94 Ų | 94 | 124 Ų | 124 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | 64 | 124 | 106.3 | 79.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1997 | L | 23.5 | Very low | 28 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | 177.6 | 150.6 | 61.6 | -117.8 | 133.3 | 0 | 0 | 0 | 108.7 | |||||
| 1998 | A | 26.2 | Very low | 27.4 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | 142.7 | 87.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1999 | S | 24.2 | Very low | 26.7 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -38 | 145.9 | 158.1 | 58.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 2000 | R | 23.3 | Very low | 26.2 | Very low | 220 Ų | 220 | 128.9 Ų | 128.9 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | 151.9 | 105.6 | 116.6 | -90.8 | -176 | 178.2 | -171.5 | -2.2 | 110.6 | |||||
| 2001 | T | 24.8 | Very low | 25.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | 66.8 | 128.2 | 102.7 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 2002 | D | 24 | Very low | 25.6 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | cis | -173 | 164.5 | 35.8 | -117 | -31.3 | 0 | 0 | 0 | 112.4 | ||||
| 2003 | S | 25.2 | Very low | 25 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 74.3 | 103.4 | 156.5 | 70.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2004 | R | 22.5 | Very low | 24.9 | Very low | 236 Ų | 236 | 128.5 Ų | 128.5 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | 58.9 | 112.2 | 67.6 | -83.1 | -175.5 | 169.7 | 166.3 | -2.3 | 115.4 | |||||
| 2005 | N | 26.4 | Very low | 24.8 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | 173.2 | 137.9 | 125.3 | -87 | -12.6 | 0 | 0 | 0 | 106 | |||||
| 2006 | S | 24.1 | Very low | 24.8 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | 166.3 | 144 | -0.7 | 44.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 2007 | S | 25.2 | Very low | 24.9 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 64.2 | 135.7 | 151.6 | 71.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2008 | G | 25.5 | Very low | 25.2 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 166.8 | 165.9 | 1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2009 | A | 24.5 | Very low | 25.3 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | 67.4 | 139.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2010 | D | 27.7 | Very low | 25.4 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | cis | -166.7 | 155.8 | 10.3 | -99.8 | -28.4 | 0 | 0 | 0 | 111.2 | ||||
| 2011 | S | 26.8 | Very low | 25.8 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 42.4 | 114.9 | 146.5 | 72.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2012 | V | 24.5 | Very low | 26.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | 89.3 | 107.2 | 73.1 | 164.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 2013 | F | 22 | Very low | 26.7 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 68.7 | 127.8 | 141.1 | -79.1 | -102.8 | 0 | 0 | 0 | 124.6 | ||||
| 2014 | S | 25.2 | Very low | 27.4 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 114.1 | 109 | 130.3 | -159.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2015 | S | 26.1 | Very low | 28.4 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | 70 | 114 | 155 | 76 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2016 | G | 23.7 | Very low | 29 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | 88.1 | 79.7 | 106.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 2017 | L | 27.4 | Very low | 30 | Very low | 189 Ų | 189 | 121.7 Ų | 121.7 | 99% | 0.99 | 74% | 0.737 | S | S | * | * | trans | 53.7 | 76.5 | 137 | -72 | 158.7 | 0 | 0 | 0 | 118.2 | ||||
| 2018 | A | 30.2 | Very low | 30.9 | Very low | 98 Ų | 98 | 118.1 Ų | 118.1 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | trans | -128.9 | 105.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2019 | R | 28.6 | Very low | 31.7 | Very low | 245 Ų | 245 | 120.1 Ų | 120.1 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | trans | 20.6 | 91 | 163.3 | -77 | 177.2 | 173.3 | 162 | -1.9 | 119.6 | ||||
| 2020 | M | 25.3 | Very low | 32.8 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | trans | -85.1 | 120.2 | 152.8 | -72.3 | 177.7 | 67.1 | 0 | 0 | 110.6 | N2022 | M2020-N2022 PolarHBondContact O-N 3.11Š| ||
| 2021 | S | 31.3 | Very low | 34.3 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 69% | 0.692 | S | S | * | * | trans | -89.8 | 87.6 | -178.5 | -40.9 | 0 | 0 | 0 | 0 | 110.2 | S2023 | S2021-S2023 PolarHBondContact O-N 2.94Š| ||
| 2022 | N | 31.7 | Very low | 35.2 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 52% | 0.519 | 69% | 0.689 | S | S | . | * | trans | -90.4 | 63.5 | -173.2 | -86 | -30.6 | 0 | 0 | 0 | 113.9 | M2020 N2025 | M2020-N2022 PolarHBondContact O-N 3.11Å; N2022-N2025 PolarHBondContact OD1-ND2 2.77Å | ||
| 2023 | S | 37.3 | Very low | 36 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -105.6 | 0.5 | 162.1 | 87.3 | 0 | 0 | 0 | 0 | 113.8 | S2021 | S2021-S2023 PolarHBondContact O-N 2.94Š|
| 2024 | S | 39.9 | Very low | 37.1 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -94.4 | -15.5 | 172.8 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | S2028 | S2024-S2028 WeakPolarHBondContact O-CB 3.28Å; S2024-S2028 PolarHBondContact O-N 3.42Å |
| 2025 | N | 43.1 | Very low | 38 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 47% | 0.465 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -83.3 | -22.2 | -177.8 | -84.5 | -32.8 | 0 | 0 | 0 | 114 | N2022 L2029 | N2022-N2025 PolarHBondContact OD1-ND2 2.77Å; N2025-L2029 VanDerWaalsContact O-CB 3.3Å; N2025-L2029 WeakPolarHBondContact O-CB 3.5Å; N2025-L2029 PolarHBondContact O-N 3.5Å |
| 2026 | L | 38.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 72% | 0.723 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.5 | -37 | 169.6 | -115.1 | 143.7 | 0 | 0 | 0 | 111.1 | L2029 R2030 | L2026-L2029 PolarHBondContact O-N 3.24Å; L2026-R2030 VanDerWaalsContact O-CB 3.23Å; L2026-R2030 WeakPolarHBondContact O-CB 3.49Å; L2026-R2030 PolarHBondContact O-N 3.03Å |
| 2027 | E | 46.2 | Very low | 39.4 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 45% | 0.453 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.7 | -34.2 | 172.5 | -144.3 | 68.6 | -156.1 | 0 | 0 | 112.1 | R2031 | E2027-R2031 VanDerWaalsContact O-CB 3.27Å; E2027-R2031 WeakPolarHBondContact O-CB 3.32Å; E2027-R2031 VanDerWaalsContact O-CG 3.26Å; E2027-R2031 WeakPolarHBondContact O-CG 3.41Å; E2027-R2031 PolarHBondContact O-N 2.96Å |
| 2028 | S | 42.9 | Very low | 40 | Very low | 51 Ų | 51 | 120 Ų | 120 | 36% | 0.357 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.7 | -40 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | S2024 R2030 R2031 R2032 | S2024-S2028 WeakPolarHBondContact O-CB 3.28Å; S2024-S2028 PolarHBondContact O-N 3.42Å; S2028-R2030 VanDerWaalsContact C-N 3.34Å; S2028-R2031 PolarHBondContact O-N 3Å; S2028-R2032 VanDerWaalsContact O-CB 3.24Å; S2028-R2032 WeakPolarHBondContact O-CB 3.36Å; S2028-R2032 VanDerWaalsContact O-CG 3.28Å; S2028-R2032 WeakPolarHBondContact O-CG 3.49Å; S2028-R2032 PolarHBondContact O-N 3.4Å |
| 2029 | L | 43.8 | Very low | 40 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.5 | -37.2 | 174.5 | -150.4 | 86 | 0 | 0 | 0 | 110.7 | N2025 L2026 R2032 L2033 | N2025-L2029 VanDerWaalsContact O-CB 3.3Å; N2025-L2029 WeakPolarHBondContact O-CB 3.5Å; N2025-L2029 PolarHBondContact O-N 3.5Å; L2026-L2029 PolarHBondContact O-N 3.24Å; L2029-R2032 CarbonylContact O-C 3.57Å; L2029-R2032 PolarHBondContact O-N 3.09Å; L2029-L2033 VanDerWaalsContact O-CB 3.29Å; L2029-L2033 WeakPolarHBondContact O-CB 3.4Å; L2029-L2033 PolarHBondContact O-N 2.68Å |
| 2030 | R | 47.5 | Very low | 40 | Very low | 156 Ų | 156 | 113.8 Ų | 113.8 | 59% | 0.589 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.2 | -45.9 | 174 | -152.5 | 179.6 | -167.4 | -167.9 | 2.8 | 111.2 | L2026 S2028 R2032 L2033 E2034 | L2026-R2030 VanDerWaalsContact O-CB 3.23Å; L2026-R2030 WeakPolarHBondContact O-CB 3.49Å; L2026-R2030 PolarHBondContact O-N 3.03Å; S2028-R2030 VanDerWaalsContact C-N 3.34Å; R2030-R2032 VanDerWaalsContact C-N 3.32Å; R2030-R2032 PolarHBondContact O-N 3.29Å; R2030-L2033 CarbonylContact O-C 3.59Å; R2030-L2033 PolarHBondContact O-N 2.78Å; R2030-E2034 WeakPolarHBondContact O-CB 3.18Å; R2030-E2034 PolarHBondContact O-N 2.74Å |
| 2031 | R | 57.5 | Low | 40.2 | Very low | 179 Ų | 179 | 111.2 Ų | 111.2 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64 | -31.6 | 171.4 | -76.2 | 179 | -172.6 | 172.2 | 3.1 | 113.3 | E2027 S2028 A2035 | E2027-R2031 VanDerWaalsContact O-CB 3.27Å; E2027-R2031 WeakPolarHBondContact O-CB 3.32Å; E2027-R2031 VanDerWaalsContact O-CG 3.26Å; E2027-R2031 WeakPolarHBondContact O-CG 3.41Å; E2027-R2031 PolarHBondContact O-N 2.96Å; S2028-R2031 PolarHBondContact O-N 3Å; R2031-A2035 WeakPolarHBondContact O-CB 3.43Å; R2031-A2035 PolarHBondContact O-N 3.1Å |
| 2032 | R | 46.3 | Very low | 40.1 | Very low | 171 Ų | 171 | 109.5 Ų | 109.5 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76 | -33.8 | 173.5 | -79 | -179.7 | 65.8 | -170.3 | -0.4 | 111.8 | S2028 L2029 R2030 V2036 | S2028-R2032 VanDerWaalsContact O-CB 3.24Å; S2028-R2032 WeakPolarHBondContact O-CB 3.36Å; S2028-R2032 VanDerWaalsContact O-CG 3.28Å; S2028-R2032 WeakPolarHBondContact O-CG 3.49Å; S2028-R2032 PolarHBondContact O-N 3.4Å; L2029-R2032 CarbonylContact O-C 3.57Å; L2029-R2032 PolarHBondContact O-N 3.09Å; R2030-R2032 VanDerWaalsContact C-N 3.32Å; R2030-R2032 PolarHBondContact O-N 3.29Å; R2032-V2036 WeakPolarHBondContact O-CB 3.4Å; R2032-V2036 WeakPolarHBondContact O-CG2 3.44Å; R2032-V2036 PolarHBondContact O-N 3Å |
| 2033 | L | 42.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 113 Ų | 113 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -73.6 | -36.1 | 173.7 | -145.2 | 82.7 | 0 | 0 | 0 | 110.9 | L2029 R2030 V2036 K2037 | L2029-L2033 VanDerWaalsContact O-CB 3.29Å; L2029-L2033 WeakPolarHBondContact O-CB 3.4Å; L2029-L2033 PolarHBondContact O-N 2.68Å; R2030-L2033 CarbonylContact O-C 3.59Å; R2030-L2033 PolarHBondContact O-N 2.78Å; L2033-V2036 PolarHBondContact O-N 3.37Å; L2033-K2037 WeakPolarHBondContact O-CB 3.08Å; L2033-K2037 PolarHBondContact O-N 3.1Å |
| 2034 | E | 45.2 | Very low | 39.5 | Very low | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -71.9 | -33.2 | 170.6 | -107.6 | 118.2 | -150.5 | 0 | 0 | 111.9 | R2030 K2037 G2038 | R2030-E2034 WeakPolarHBondContact O-CB 3.18Å; R2030-E2034 PolarHBondContact O-N 2.74Å; E2034-K2037 CarbonylContact O-C 3.52Å; E2034-K2037 PolarHBondContact O-N 3.02Å; E2034-G2038 WeakPolarHBondContact O-CA 3.16Å; E2034-G2038 PolarHBondContact O-N 3.06Å |
| 2035 | A | 42.9 | Very low | 39 | Very low | 54 Ų | 54 | 118.2 Ų | 118.2 | 45% | 0.446 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -67.1 | -40.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R2031 K2037 G2038 S2039 | R2031-A2035 WeakPolarHBondContact O-CB 3.43Å; R2031-A2035 PolarHBondContact O-N 3.1Å; A2035-K2037 PolarHBondContact O-N 2.97Å; A2035-G2038 PolarHBondContact O-N 3.12Å; A2035-S2039 PolarHBondContact O-N 3.18Å; A2035-S2039 PolarHBondContact O-OG 2.6Å |
| 2036 | V | 41.5 | Very low | 38.8 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 66% | 0.661 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68 | -25.5 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | R2032 L2033 | R2032-V2036 WeakPolarHBondContact O-CB 3.4Å; R2032-V2036 WeakPolarHBondContact O-CG2 3.44Å; R2032-V2036 PolarHBondContact O-N 3Å; L2033-V2036 PolarHBondContact O-N 3.37Å |
| 2037 | K | 38.5 | Very low | 38.8 | Very low | 178 Ų | 178 | 118.8 Ų | 118.8 | 77% | 0.774 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.9 | -26.7 | 170.6 | -120.9 | -179.6 | 177.5 | -175 | 0 | 113.8 | L2033 E2034 A2035 | L2033-K2037 WeakPolarHBondContact O-CB 3.08Å; L2033-K2037 PolarHBondContact O-N 3.1Å; E2034-K2037 CarbonylContact O-C 3.52Å; E2034-K2037 PolarHBondContact O-N 3.02Å; A2035-K2037 PolarHBondContact O-N 2.97Å |
| 2038 | G | 40.5 | Very low | 38.4 | Very low | 55 Ų | 55 | 120.1 Ų | 120.1 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -93.6 | -15 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | E2034 A2035 | E2034-G2038 WeakPolarHBondContact O-CA 3.16Å; E2034-G2038 PolarHBondContact O-N 3.06Å; A2035-G2038 PolarHBondContact O-N 3.12Å |
| 2039 | S | 28.9 | Very low | 38.2 | Very low | 90 Ų | 90 | 124.1 Ų | 124.1 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -110.4 | 15.7 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 115.6 | A2035 | A2035-S2039 PolarHBondContact O-N 3.18Å; A2035-S2039 PolarHBondContact O-OG 2.6Å |
| 2040 | C | 28.3 | Very low | 37.8 | Very low | 122 Ų | 122 | 125 Ų | 125 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -121.8 | 19 | 162.6 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 2041 | S | 30.9 | Very low | 37.2 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -122.8 | 57.5 | 165.1 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 2042 | A | 27.9 | Very low | 35.7 | Very low | 73 Ų | 73 | 118.9 Ų | 118.9 | 60% | 0.603 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -158.3 | 131.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 2043 | D | 28.2 | Very low | 34.9 | Very low | 171 Ų | 171 | 114.9 Ų | 114.9 | 91% | 0.914 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 73.7 | 89.1 | 175.5 | -49.5 | -20.8 | 0 | 0 | 0 | 114.4 | ||
| 2044 | G | 29.6 | Very low | 34.3 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | cis | 117.2 | 67.4 | 30.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 2045 | V | 29.2 | Very low | 33.3 | Very low | 218 Ų | 218 | 113.8 Ų | 113.8 | 100% | 1.321 | 75% | 0.752 | S | S | * | * | trans | -152.7 | 0 | 149.1 | 178.9 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 2,045 of 2,045 residues in 3573.4 ms
(Link to these results)