| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.1 | Very low | 30.1 | Very low | 243 Ų | 243 | 157.8 Ų | 157.8 | 100% | 1.197 | 86% | 0.86 | S | S | * | * | 0 | 152.9 | 0 | -81.6 | 163.9 | 153.9 | 0 | 0 | 108.1 | |||||
| 2 | A | 28.6 | Very low | 30 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 80% | 0.802 | 86% | 0.857 | S | S | * | * | trans | 11.6 | 101.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 3 | M | 26.6 | Very low | 30.1 | Very low | 183 Ų | 183 | 155.9 Ų | 155.9 | 90% | 0.901 | 86% | 0.855 | S | S | * | * | trans | -76.8 | 135.1 | 147.9 | -65.6 | -173.4 | -164.3 | 0 | 0 | 107.9 | A5 | M3-A5 PolarHBondContact O-N 2.99Š| ||
| 4 | V | 34 | Very low | 30.1 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 64% | 0.636 | 85% | 0.847 | S | S | * | * | trans | -80 | 117.7 | 171.3 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | W6 | V4-W6 HydrophobicContact CG1-CD2 4.47Å; V4-W6 HydrophobicContact CG1-CZ2 4.34Å; V4-W6 VanDerWaalsContact O-CD1 3.28Å; V4-W6 PolarHBondContact O-N 3.49Å | ||
| 5 | A | 31.8 | Very low | 29.9 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | -83.2 | 103 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | M3 R7 | M3-A5 PolarHBondContact O-N 2.99Å; A5-R7 PolarHBondContact O-N 2.91Å | ||
| 6 | W | 34.8 | Very low | 29.9 | Very low | 232 Ų | 232 | 148.8 Ų | 148.8 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | -77.9 | 106.6 | 177.6 | -61.8 | 91.5 | 0 | 0 | 0 | 110.9 | V4 | V4-W6 HydrophobicContact CG1-CD2 4.47Å; V4-W6 HydrophobicContact CG1-CZ2 4.34Å; V4-W6 VanDerWaalsContact O-CD1 3.28Å; V4-W6 PolarHBondContact O-N 3.49Å | ||
| 7 | R | 29.7 | Very low | 29.8 | Very low | 240 Ų | 240 | 151.4 Ų | 151.4 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 127.5 | 157.6 | -79 | -175.7 | 175.4 | -99.7 | 1.1 | 108.3 | A5 | A5-R7 PolarHBondContact O-N 2.91Š|
| 8 | G | 26.9 | Very low | 29.7 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 140.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 9 | S | 28.1 | Very low | 29.6 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 87% | 0.867 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 142.2 | 161.3 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 10 | Q | 28.4 | Very low | 29.5 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | -136 | 115.2 | 171.7 | -172 | 164.6 | 2.8 | 0 | 0 | 106.7 | ||||
| 11 | D | 31.4 | Very low | 29.4 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | trans | -71.1 | 138.5 | 177.9 | -58.2 | -70.8 | 0 | 0 | 0 | 110.2 | ||||
| 12 | D | 28.9 | Very low | 29.3 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -155.3 | 168.6 | 157.2 | -130.9 | -40.1 | 0 | 0 | 0 | 112.1 | ||||
| 13 | V | 31.5 | Very low | 29.3 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | -92.5 | 158.6 | -153.2 | -179.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 14 | A | 28.9 | Very low | 29.4 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 74% | 0.744 | 82% | 0.82 | S | S | * | * | trans | -69 | 160.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 15 | D | 27.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | trans | -153.9 | -169.9 | 133.6 | -141.4 | -36.6 | 0 | 0 | 0 | 112.2 | ||||
| 16 | T | 29.5 | Very low | 29.1 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 67% | 0.669 | 84% | 0.838 | S | S | * | * | trans | -133.5 | 159.6 | -140.5 | -35.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 17 | Q | 29.3 | Very low | 28.7 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 83% | 0.832 | S | S | * | * | trans | 82.5 | 146.6 | 161.9 | -50 | -172.1 | 12.9 | 0 | 0 | 119.7 | ||||
| 18 | G | 26.9 | Very low | 28.6 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | 137.2 | 127 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 19 | A | 27.6 | Very low | 28.6 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -141.4 | 148.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 20 | L | 27.6 | Very low | 28.8 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | -179.2 | 149.3 | 125.7 | -97 | 161 | 0 | 0 | 0 | 114.1 | |||||
| 21 | S | 27.7 | Very low | 28.9 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | trans | -51.5 | 151.1 | -177.9 | 52.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 22 | S | 29.5 | Very low | 28.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | -165.5 | 171.1 | 119.7 | 42.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 23 | Q | 29 | Very low | 29.3 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -106.1 | 154.4 | -163.5 | -59.9 | 168.5 | -20 | 0 | 0 | 113.8 | ||||
| 24 | T | 29.5 | Very low | 29.2 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | -163.1 | 159.8 | 129.3 | 4.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 25 | Q | 30.7 | Very low | 29.6 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 95% | 0.949 | 82% | 0.822 | S | S | * | * | trans | -103.6 | 154.2 | -172.7 | -66.2 | 174.6 | -20.7 | 0 | 0 | 112.6 | ||||
| 26 | G | 28.6 | Very low | 29.6 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -178.6 | 66.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 27 | G | 26.1 | Very low | 29.5 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | -99.3 | 139.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | L | 27 | Very low | 29.4 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 89% | 0.89 | 83% | 0.834 | S | S | * | * | trans | -143.3 | 149.5 | 171.5 | -82.1 | 177.4 | 0 | 0 | 0 | 112.7 | ||||
| 29 | S | 26.6 | Very low | 29.5 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | 55.8 | 105 | 156.7 | 57.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 30 | L | 31.9 | Very low | 29.6 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 84% | 0.838 | S | S | * | * | -148.6 | 144.4 | 110.8 | -141.1 | 74.6 | 0 | 0 | 0 | 108.7 | |||||
| 31 | P | 30.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | -150.7 | 159.4 | 98.9 | 39.3 | -22.4 | 0 | 0 | 0 | 116.4 | |||||
| 32 | T | 31.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 84% | 0.839 | S | S | * | * | trans | -99 | 175.2 | 155.1 | 35.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 33 | P | 38.1 | Very low | 29.6 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 84% | 0.84 | S | S | * | * | cis | -138.4 | -169.9 | 11.3 | 36.1 | -13.4 | 0 | 0 | 0 | 116.2 | ||||
| 34 | Q | 30.2 | Very low | 29.6 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | trans | 123.6 | 148.8 | 148.5 | -67.3 | -145.8 | -22.9 | 0 | 0 | 117.5 | ||||
| 35 | P | 36.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -103.5 | 154.9 | -160.4 | 39.2 | -33.6 | 0 | 0 | 0 | 115.2 | ||||
| 36 | G | 27.4 | Very low | 29.5 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | trans | -116.5 | 145.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 37 | Q | 27.3 | Very low | 30.2 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 89% | 0.888 | 82% | 0.824 | S | S | * | * | trans | -79.9 | 155.5 | -177.1 | -56.2 | 157.1 | -52.1 | 0 | 0 | 112.7 | ||||
| 38 | L | 27.6 | Very low | 30.8 | Very low | 180 Ų | 180 | 139 Ų | 139 | 94% | 0.942 | 83% | 0.825 | S | S | * | * | trans | -140.1 | 130.8 | 145.4 | -82.2 | -177.2 | 0 | 0 | 0 | 111.1 | ||||
| 39 | N | 27.5 | Very low | 31 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -89.6 | 145.7 | 171.4 | -91.3 | -25 | 0 | 0 | 0 | 110.5 | ||||
| 40 | L | 29.9 | Very low | 31.8 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -138 | 136.4 | 148.2 | -79.6 | -179.2 | 0 | 0 | 0 | 109.9 | ||||
| 41 | T | 29.1 | Very low | 31.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -97.9 | 156.3 | -171.6 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 42 | A | 27.4 | Very low | 31.7 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -86.9 | 160.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 43 | S | 28.9 | Very low | 32.3 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -153.5 | 147.1 | 151.7 | -82.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 44 | Q | 28.6 | Very low | 32 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -105.3 | 169.5 | 178.2 | -57.7 | 169.2 | -4.3 | 0 | 0 | 109.4 | ||||
| 45 | I | 29.6 | Very low | 32 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | trans | 177.6 | 143.6 | 141.3 | -95.7 | 152.3 | 0 | 0 | 0 | 111.6 | ||||
| 46 | A | 28.8 | Very low | 31.6 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | -169.2 | 174.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 47 | P | 43 | Very low | 32.4 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | cis | -112.7 | -160.3 | -31.7 | 38.7 | -23.4 | 0 | 0 | 0 | 110.3 | ||||
| 48 | P | 39.3 | Very low | 33.6 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | -151.6 | 174 | 114.5 | 38.2 | -21.2 | 0 | 0 | 0 | 116.9 | |||||
| 49 | T | 31.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -138 | 162.5 | 160.5 | 55.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 50 | P | 42.4 | Very low | 34 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 68% | 0.682 | 82% | 0.821 | S | S | * | * | -163.5 | -169.9 | 91.7 | 45 | -24 | 0 | 0 | 0 | 118 | |||||
| 51 | Q | 28.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | 89.1 | 150.7 | 149.5 | -78.2 | 172 | 16.7 | 0 | 0 | 123.6 | ||||
| 52 | T | 31.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -144.9 | 161.5 | 179.9 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 53 | P | 44.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | -131.2 | -154 | 117.9 | 17.1 | 6 | 0 | 0 | 0 | 110 | |||||
| 54 | V | 32.7 | Very low | 34.3 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | cis | -144.8 | -172.2 | 10.5 | -161.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 55 | Q | 29.3 | Very low | 35 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -127.9 | 160.9 | 179.7 | -61.6 | 164.7 | -38 | 0 | 0 | 112.5 | ||||
| 56 | G | 29.1 | Very low | 35 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -177.7 | 147.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 57 | P | 43.5 | Very low | 35.3 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -127 | -154.4 | -147.2 | 50.8 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 58 | P | 53.3 | Low | 34.9 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -126 | -172.2 | -134.4 | 31.7 | -6.1 | 0 | 0 | 0 | 115.1 | ||||
| 59 | N | 33.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -157.5 | 161.1 | 151.6 | -130.8 | -24.5 | 0 | 0 | 0 | 115.7 | ||||
| 60 | N | 30.4 | Very low | 34.9 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -105.5 | 155.9 | -178.7 | -87.6 | -33.9 | 0 | 0 | 0 | 112.7 | ||||
| 61 | A | 32.2 | Very low | 35 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | trans | -165.7 | 157.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 62 | Q | 30.2 | Very low | 35.3 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -99.9 | 163.9 | -166.6 | -73 | 151.6 | -50.2 | 0 | 0 | 115.5 | ||||
| 63 | S | 28.9 | Very low | 36 | Very low | 100 Ų | 100 | 146 Ų | 146 | 70% | 0.699 | 84% | 0.839 | S | S | * | * | trans | -30.1 | 153.5 | 157 | 55 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 64 | T | 30.5 | Very low | 35.5 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | -157.6 | 175 | 65.1 | 22.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 65 | P | 42 | Very low | 36.1 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 84% | 0.841 | S | S | * | * | trans | -106 | 163.8 | -158.6 | 40.2 | -36.3 | 0 | 0 | 0 | 117 | ||||
| 66 | T | 30.8 | Very low | 36.6 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | trans | -141.3 | 138.8 | 161.8 | -30.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 67 | N | 34.8 | Very low | 37.5 | Very low | 151 Ų | 151 | 153 Ų | 153 | 81% | 0.807 | 84% | 0.842 | S | S | * | * | trans | -87.6 | 130.4 | 170.6 | -98.3 | -19.9 | 0 | 0 | 0 | 110.8 | ||||
| 68 | Q | 33.7 | Very low | 38 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | -171.4 | 158.6 | 126.3 | -107.7 | 163.6 | 83.6 | 0 | 0 | 114 | |||||
| 69 | T | 39.1 | Very low | 38.6 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | trans | -75.5 | 136.3 | -177.3 | 22.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 70 | S | 33.1 | Very low | 41 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -156.8 | 144.5 | 146.4 | -83.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 71 | Q | 43.5 | Very low | 43.9 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -86.3 | 121.1 | 176.4 | -67 | 174.5 | -12.2 | 0 | 0 | 109.5 | ||||
| 72 | Q | 34.3 | Very low | 47 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -150.8 | 148.9 | 165.4 | -110.4 | 160.5 | 34.7 | 0 | 0 | 111.2 | ||||
| 73 | Q | 46.9 | Very low | 50.3 | Low | 204 Ų | 204 | 139.4 Ų | 139.4 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | trans | -66.2 | 131.9 | -179.4 | -68.7 | 166.8 | -27.4 | 0 | 0 | 109.6 | ||||
| 74 | S | 33.6 | Very low | 53.5 | Low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -136.1 | 131.1 | 179.4 | 35.9 | 0 | 0 | 0 | 0 | 110.8 | K76 | S74-K76 PolarHBondContact O-N 3.3Š| ||
| 75 | E | 45.1 | Very low | 56.7 | Low | 193 Ų | 193 | 131.4 Ų | 131.4 | 90% | 0.902 | 69% | 0.687 | S | S | * | * | trans | -65.5 | 130 | 177.1 | -61.6 | 172.1 | 113.8 | 0 | 0 | 109.5 | Q77 | E75-Q77 PolarHBondContact O-N 2.86Š| ||
| 76 | K | 41.1 | Very low | 59.4 | Low | 201 Ų | 201 | 126 Ų | 126 | 87% | 0.874 | 65% | 0.652 | S | S | * | * | trans | -75.7 | 99.2 | -175.2 | -74.9 | -174.7 | 177 | 178.2 | 0 | 111.2 | S74 | S74-K76 PolarHBondContact O-N 3.3Š| ||
| 77 | Q | 47.1 | Very low | 62.5 | Low | 169 Ų | 169 | 120.8 Ų | 120.8 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | trans | -47.2 | 140.3 | 155.5 | -67.9 | -175.4 | -3.3 | 0 | 0 | 109.8 | E75 Q79 | E75-Q77 PolarHBondContact O-N 2.86Å; Q77-Q79 PolarHBondContact O-N 3.08Å | ||
| 78 | P | 54 | Low | 65.4 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 83% | 0.831 | 60% | 0.597 | S | S | * | * | trans | -70.8 | 97 | -175.7 | 28.3 | -34.6 | 0 | 0 | 0 | 110.8 | H80 | P78-H80 PolarHBondContact O-N 3.42Š| ||
| 79 | Q | 66.6 | Low | 68.4 | Low | 159 Ų | 159 | 112.5 Ų | 112.5 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | trans | -50 | 128.8 | 172.8 | -68.4 | -179.8 | -33.3 | 0 | 0 | 110.2 | Q77 I81 | Q77-Q79 PolarHBondContact O-N 3.08Å; Q79-I81 VanDerWaalsContact C-N 3.29Å; Q79-I81 HydrophobicContact CB-CG1 4.26Å; Q79-I81 PolarHBondContact O-N 3.06Å | ||
| 80 | H | 82.3 | Confident | 71.2 | Confident | 122 Ų | 122 | 107 Ų | 107 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | trans | -76.4 | 79.5 | -177.3 | -170.2 | -87.3 | 0 | 0 | 0 | 111.2 | P78 | P78-H80 PolarHBondContact O-N 3.42Š| ||
| 81 | I | 93.1 | Very high | 74.1 | Confident | 59 Ų | 59 | 103.9 Ų | 103.9 | 30% | 0.303 | 53% | 0.528 | S | S | . | . | trans | -82.4 | 130.3 | -179.2 | -57.9 | 171.4 | 0 | 0 | 0 | 110 | Q79 S90 F98 | Q79-I81 VanDerWaalsContact C-N 3.29Å; Q79-I81 HydrophobicContact CB-CG1 4.26Å; Q79-I81 PolarHBondContact O-N 3.06Å; I81-S90 WeakPolarHBondContact O-CB 3.48Å; I81-S90 PolarHBondContact O-N 2.91Å; I81-F98 HydrophobicContact CB-CD1 4.48Å; I81-F98 HydrophobicContact CD1-CD1 4.06Å; I81-F98 HydrophobicContact CD1-CE1 3.58Å; I81-F98 HydrophobicContact CD1-CE2 4.31Å; I81-F98 HydrophobicContact CD1-CZ 3.72Å; I81-F98 HydrophobicContact CG2-CB 3.63Å; I81-F98 HydrophobicContact CG2-CD1 3.74Å; I81-F98 HydrophobicContact CG2-CD2 4.06Å; I81-F98 HydrophobicContact CG2-CE1 4.35Å; I81-F98 HydrophobicContact CG2-CG 3.57Å | ||
| 82 | E | 96.8 | Very high | 76.5 | Confident | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 158.7 | 178.8 | -70 | -170.6 | 179.8 | 0 | 0 | 113.1 | V84 G87 | E82-V84 PolarHBondContact O-N 3.1Å; E82-G87 VanDerWaalsContact CB-O 3.27Å; E82-G87 WeakPolarHBondContact CB-O 3.27Å; E82-G87 WeakPolarHBondContact CG-O 3.07Å |
| 83 | C | 97.9 | Very high | 79.3 | Confident | 2 Ų | 2 | 94.1 Ų | 94.1 | 1% | 0.014 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 111.8 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | V85 C86 G87 D88 T99 C100 | C83-V85 PolarHBondContact O-N 3.04Å; C83-C86 PolarHBondContact O-N 3.15Å; C83-G87 PolarHBondContact O-N 3.45Å; C83-D88 WeakPolarHBondContact CA-O 3.34Å; C83-D88 WeakPolarHBondContact CB-O 3.38Å; C83-D88 PolarHBondContact N-O 2.96Å; C83-T99 VanDerWaalsContact SG-CA 3.57Å; C83-C100 HydrophobicContact CB-CB 4.02Å; C83-C100 PolarHBondContact SG-N 2.86Å; C83-C100 VanDerWaalsContact SG-N 3.39Å; C83-C100 VanDerWaalsContact SG-SG 3.63Å |
| 84 | V | 97.7 | Very high | 81.6 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.9 | 179.9 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | E82 Q97 F98 T99 V146 | E82-V84 PolarHBondContact O-N 3.1Å; V84-Q97 HydrophobicContact CG2-CB 4.07Å; V84-F98 WeakPolarHBondContact CG2-O 3.37Å; V84-F98 PolarHBondContact N-O 3.21Å; V84-F98 VanDerWaalsContact N-O 3.14Å; V84-T99 HydrophobicContact CG2-CG2 4.46Å; V84-V146 HydrophobicContact CB-CB 4.5Å; V84-V146 HydrophobicContact CG2-CB 4Å; V84-V146 HydrophobicContact CG2-CG2 3.67Å |
| 85 | V | 98.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -34.2 | 173.8 | -175 | 0 | 0 | 0 | 0 | 112.7 | C83 T99 C103 I127 R139 K142 V146 M148 | C83-V85 PolarHBondContact O-N 3.04Å; V85-T99 HydrophobicContact CG2-CG2 4.06Å; V85-C103 HydrophobicContact CB-CB 4.18Å; V85-C103 HydrophobicContact CG1-CB 4.36Å; V85-C103 HydrophobicContact CG2-CB 4.35Å; V85-I127 HydrophobicContact CG1-CG2 4.16Å; V85-I127 WeakPolarHBondContact O-CG2 3.4Å; V85-R139 HydrophobicContact CG1-CG 4.43Å; V85-K142 VanDerWaalsContact O-CD 3.24Å; V85-K142 WeakPolarHBondContact O-CD 3.24Å; V85-K142 WeakPolarHBondContact O-CE 3.21Å; V85-K142 PolarHBondContact O-NZ 2.94Å; V85-V146 HydrophobicContact CG2-CG2 3.88Å; V85-M148 HydrophobicContact CG2-SD 3.73Å |
| 86 | C | 97.3 | Very high | 86.9 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.034 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -155 | 16.1 | -167.3 | 67.8 | 0 | 0 | 0 | 0 | 117.5 | C83 D88 I127 D128 Q129 R132 | C83-C86 PolarHBondContact O-N 3.15Å; C86-D88 PolarHBondContact O-N 2.85Å; C86-I127 HydrophobicContact CB-CG2 4.17Å; C86-D128 CarbonylContact O-C 3.39Å; C86-Q129 PolarHBondContact O-N 3.44Å; C86-R132 HydrophobicContact CB-CB 4.42Å; C86-R132 PolarHBondContact SG-NH1 3.31Å; C86-R132 VanDerWaalsContact SG-NH1 3.35Å |
| 87 | G | 96.3 | Very high | 89.6 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 34% | 0.34 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.1 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E82 C83 | E82-G87 VanDerWaalsContact CB-O 3.27Å; E82-G87 WeakPolarHBondContact CB-O 3.27Å; E82-G87 WeakPolarHBondContact CG-O 3.07Å; C83-G87 PolarHBondContact O-N 3.45Å |
| 88 | D | 96.6 | Very high | 92 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.171 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -38.3 | 140.9 | 176.3 | -176.2 | 24.3 | 0 | 0 | 0 | 114.4 | C83 C86 S90 C100 Q129 R132 | C83-D88 WeakPolarHBondContact CA-O 3.34Å; C83-D88 WeakPolarHBondContact CB-O 3.38Å; C83-D88 PolarHBondContact N-O 2.96Å; C86-D88 PolarHBondContact O-N 2.85Å; D88-S90 PolarHBondContact O-N 2.88Å; D88-C100 HydrophobicContact CB-CB 4.28Å; D88-C100 WeakPolarHBondContact OD2-CB 3.47Å; D88-C100 PolarHBondContact OD2-SG 2.88Å; D88-Q129 HydrophobicContact CB-CB 4.12Å; D88-Q129 HydrophobicContact CB-CG 3.95Å; D88-R132 IonicContact OD2-CZ 3.44Å; D88-R132 IonicContact OD2-NH1 2.77Å; D88-R132 PolarHBondContact OD2-NH1 3.05Å; D88-R132 IonicContact OD2-NH2 2.82Å; D88-R132 PolarHBondContact OD2-NH2 3.41Å |
| 89 | K | 96.7 | Very high | 94 | Very high | 137 Ų | 137 | 57.6 Ų | 57.6 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52 | 128 | -169.6 | -174.4 | 172 | -177.7 | 173.5 | 0 | 112.9 | C100 | K89-C100 WeakPolarHBondContact O-CB 3.34Å |
| 90 | S | 96.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | trans | -72.3 | 142.5 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | I81 D88 G92 T99 | I81-S90 WeakPolarHBondContact O-CB 3.48Å; I81-S90 PolarHBondContact O-N 2.91Å; D88-S90 PolarHBondContact O-N 2.88Å; S90-G92 PolarHBondContact OG-N 2.85Å; S90-G92 PolarHBondContact OG-O 2.88Å; S90-G92 VanDerWaalsContact OG-O 3.1Å; S90-T99 WeakPolarHBondContact CA-O 3.18Å; S90-T99 PolarHBondContact OG-N 2.99Å; S90-T99 VanDerWaalsContact OG-N 3.14Å; S90-T99 PolarHBondContact OG-O 3.47Å | ||
| 91 | S | 94.3 | Very high | 96.3 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | trans | -99.3 | 23.2 | 167.6 | 56.7 | 0 | 0 | 0 | 0 | 112 | H94 T99 E101 | S91-H94 PolarHBondContact O-NE2 2.97Å; S91-H94 VanDerWaalsContact O-NE2 3.15Å; S91-H94 PolarHBondContact OG-NE2 3.2Å; S91-T99 PolarHBondContact N-O 3.14Å; S91-T99 PolarHBondContact OG-O 3.33Å; S91-E101 VanDerWaalsContact CB-OE1 3.32Å; S91-E101 WeakPolarHBondContact CB-OE1 3.44Å; S91-E101 PolarHBondContact OG-N 3.33Å; S91-E101 PolarHBondContact OG-OE1 2.95Å | ||
| 92 | G | 92.8 | Very high | 96.5 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 103.1 | -170.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S90 H94 F98 T99 | S90-G92 PolarHBondContact OG-N 2.85Å; S90-G92 PolarHBondContact OG-O 2.88Å; S90-G92 VanDerWaalsContact OG-O 3.1Å; G92-H94 PolarHBondContact O-CD2 3.39Å; G92-F98 WeakPolarHBondContact O-CA 3.43Å; G92-T99 PolarHBondContact O-N 2.88Å; G92-T99 VanDerWaalsContact O-N 3.15Å |
| 93 | K | 94.3 | Very high | 96.6 | Very high | 143 Ų | 143 | 41.7 Ų | 41.7 | 62% | 0.622 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121 | 178.7 | -68.6 | -169.7 | -179.9 | -177.2 | 0 | 110.9 | Q97 F98 | K93-Q97 CarbonylContact C-O 3.45Å; K93-Q97 WeakPolarHBondContact CA-O 3.2Å; K93-F98 HydrophobicContact CD-CE1 4.48Å; K93-F98 HydrophobicContact CD-CE2 4.3Å; K93-F98 HydrophobicContact CD-CZ 4.16Å; K93-F98 HydrophobicContact CG-CD1 3.73Å; K93-F98 HydrophobicContact CG-CD2 4.14Å; K93-F98 HydrophobicContact CG-CE1 3.56Å; K93-F98 HydrophobicContact CG-CE2 3.99Å; K93-F98 HydrophobicContact CG-CG 4.03Å; K93-F98 HydrophobicContact CG-CZ 3.7Å |
| 94 | H | 95.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 14% | 0.139 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.5 | 172.9 | -55.9 | -70.2 | 0 | 0 | 0 | 108.9 | S91 G92 G96 Q97 E101 K104 | S91-H94 PolarHBondContact O-NE2 2.97Å; S91-H94 VanDerWaalsContact O-NE2 3.15Å; S91-H94 PolarHBondContact OG-NE2 3.2Å; G92-H94 PolarHBondContact O-CD2 3.39Å; H94-G96 PolarHBondContact O-N 2.7Å; H94-Q97 PolarHBondContact N-O 3.1Å; H94-Q97 PolarHBondContact O-N 3.07Å; H94-Q97 VanDerWaalsContact O-N 3.14Å; H94-Q97 VanDerWaalsContact O-O 3.05Å; H94-E101 IonicContact CE1-OE1 3.75Å; H94-E101 IonicContact NE2-OE1 3.56Å; H94-K104 HydrophobicContact CB-CB 4Å; H94-K104 HydrophobicContact CB-CD 4.33Å; H94-K104 HydrophobicContact CB-CG 3.82Å; H94-K104 VanDerWaalsContact CE1-CE 3.46Å; H94-K104 WeakPolarHBondContact CE1-CE 3.23Å; H94-K104 PolarHBondContact CE1-NZ 2.98Å; H94-K104 WeakPolarHBondContact ND1-CD 3.36Å; H94-K104 WeakPolarHBondContact ND1-CE 3.29Å |
| 95 | Y | 96 | Very high | 96.5 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 39.7 | -180 | -46.3 | -60.2 | 0 | 0 | 0 | 113.1 | K104 F107 K108 M148 R149 A152 V153 | Y95-K104 HydrophobicContact CE2-CG 3.95Å; Y95-F107 AromaticContact CD2-CD1 3.61Å; Y95-F107 HydrophobicContact CD2-CD1 3.61Å; Y95-F107 HydrophobicContact CD2-CE1 4.26Å; Y95-F107 HydrophobicContact CE2-CD1 4.23Å; Y95-F107 AromaticContact CG-CD1 3.89Å; Y95-F107 HydrophobicContact CG-CD1 3.89Å; Y95-F107 HydrophobicContact CG-CE1 4.07Å; Y95-K108 HydrophobicContact CE2-CB 4.29Å; Y95-K108 WeakPolarHBondContact OH-CD 3.14Å; Y95-M148 HydrophobicContact CD2-CE 3.84Å; Y95-M148 WeakPolarHBondContact O-CA 3.38Å; Y95-R149 WeakPolarHBondContact O-CB 3.24Å; Y95-R149 PolarHBondContact O-N 2.91Å; Y95-A152 HydrophobicContact CD1-CB 3.92Å; Y95-A152 WeakPolarHBondContact CD1-O 3.28Å; Y95-A152 WeakPolarHBondContact CE1-O 3.49Å; Y95-V153 HydrophobicContact CD1-CB 4.4Å; Y95-V153 HydrophobicContact CD1-CG2 3.65Å; Y95-V153 HydrophobicContact CE1-CB 4.16Å; Y95-V153 HydrophobicContact CE1-CG1 4.29Å; Y95-V153 HydrophobicContact CE1-CG2 3.76Å; Y95-V153 HydrophobicContact CG-CG2 4.07Å |
| 96 | G | 93.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 42.3 Ų | 42.3 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -17.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H94 | H94-G96 PolarHBondContact O-N 2.7Š|
| 97 | Q | 97.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 42 Ų | 42 | 29% | 0.29 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.6 | -170.9 | -65.9 | -62.9 | -12.2 | 0 | 0 | 113.9 | V84 K93 H94 T99 V146 G147 M148 | V84-Q97 HydrophobicContact CG2-CB 4.07Å; K93-Q97 CarbonylContact C-O 3.45Å; K93-Q97 WeakPolarHBondContact CA-O 3.2Å; H94-Q97 PolarHBondContact N-O 3.1Å; H94-Q97 PolarHBondContact O-N 3.07Å; H94-Q97 VanDerWaalsContact O-N 3.14Å; H94-Q97 VanDerWaalsContact O-O 3.05Å; Q97-T99 HydrophobicContact CB-CG2 4.36Å; Q97-T99 PolarHBondContact O-N 3.38Å; Q97-V146 VanDerWaalsContact CG-O 3.26Å; Q97-V146 WeakPolarHBondContact CG-O 3.47Å; Q97-V146 PolarHBondContact NE2-O 2.84Å; Q97-G147 WeakPolarHBondContact CG-O 3.2Å; Q97-M148 HydrophobicContact CB-CG 4.17Å; Q97-M148 HydrophobicContact CG-CG 4.3Å |
| 98 | F | 97.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 43.7 Ų | 43.7 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 113.1 | 174.2 | -73.2 | -75.4 | 0 | 0 | 0 | 110.7 | I81 V84 G92 K93 | I81-F98 HydrophobicContact CB-CD1 4.48Å; I81-F98 HydrophobicContact CD1-CD1 4.06Å; I81-F98 HydrophobicContact CD1-CE1 3.58Å; I81-F98 HydrophobicContact CD1-CE2 4.31Å; I81-F98 HydrophobicContact CD1-CZ 3.72Å; I81-F98 HydrophobicContact CG2-CB 3.63Å; I81-F98 HydrophobicContact CG2-CD1 3.74Å; I81-F98 HydrophobicContact CG2-CD2 4.06Å; I81-F98 HydrophobicContact CG2-CE1 4.35Å; I81-F98 HydrophobicContact CG2-CG 3.57Å; V84-F98 WeakPolarHBondContact CG2-O 3.37Å; V84-F98 PolarHBondContact N-O 3.21Å; V84-F98 VanDerWaalsContact N-O 3.14Å; G92-F98 WeakPolarHBondContact O-CA 3.43Å; K93-F98 HydrophobicContact CD-CE1 4.48Å; K93-F98 HydrophobicContact CD-CE2 4.3Å; K93-F98 HydrophobicContact CD-CZ 4.16Å; K93-F98 HydrophobicContact CG-CD1 3.73Å; K93-F98 HydrophobicContact CG-CD2 4.14Å; K93-F98 HydrophobicContact CG-CE1 3.56Å; K93-F98 HydrophobicContact CG-CE2 3.99Å; K93-F98 HydrophobicContact CG-CG 4.03Å; K93-F98 HydrophobicContact CG-CZ 3.7Å |
| 99 | T | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -140.1 | 164.6 | -178.5 | 63 | 0 | 0 | 0 | 0 | 111.9 | C83 V84 V85 S90 S91 G92 Q97 M148 | C83-T99 VanDerWaalsContact SG-CA 3.57Å; V84-T99 HydrophobicContact CG2-CG2 4.46Å; V85-T99 HydrophobicContact CG2-CG2 4.06Å; S90-T99 WeakPolarHBondContact CA-O 3.18Å; S90-T99 PolarHBondContact OG-N 2.99Å; S90-T99 VanDerWaalsContact OG-N 3.14Å; S90-T99 PolarHBondContact OG-O 3.47Å; S91-T99 PolarHBondContact N-O 3.14Å; S91-T99 PolarHBondContact OG-O 3.33Å; G92-T99 PolarHBondContact O-N 2.88Å; G92-T99 VanDerWaalsContact O-N 3.15Å; Q97-T99 HydrophobicContact CB-CG2 4.36Å; Q97-T99 PolarHBondContact O-N 3.38Å; T99-M148 HydrophobicContact CG2-CE 3.9Å; T99-M148 HydrophobicContact CG2-CG 4.5Å; T99-M148 HydrophobicContact CG2-SD 3.89Å | ||
| 100 | C | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | trans | -85.2 | 159.2 | 169.5 | 65.3 | 0 | 0 | 0 | 0 | 111.2 | C83 D88 K89 G102 C103 K104 R132 | C83-C100 HydrophobicContact CB-CB 4.02Å; C83-C100 PolarHBondContact SG-N 2.86Å; C83-C100 VanDerWaalsContact SG-N 3.39Å; C83-C100 VanDerWaalsContact SG-SG 3.63Å; D88-C100 HydrophobicContact CB-CB 4.28Å; D88-C100 WeakPolarHBondContact OD2-CB 3.47Å; D88-C100 PolarHBondContact OD2-SG 2.88Å; K89-C100 WeakPolarHBondContact O-CB 3.34Å; C100-G102 PolarHBondContact O-N 2.92Å; C100-G102 VanDerWaalsContact O-N 3.07Å; C100-C103 PolarHBondContact O-N 3.24Å; C100-K104 PolarHBondContact O-N 3.15Å; C100-R132 PolarHBondContact SG-NH1 3.15Å | ||
| 101 | E | 97.5 | Very high | 96.2 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 40% | 0.397 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -53.1 | -32.9 | 179.5 | -71.6 | -57.3 | 117.1 | 0 | 0 | 113.6 | S91 H94 K104 S105 | S91-E101 VanDerWaalsContact CB-OE1 3.32Å; S91-E101 WeakPolarHBondContact CB-OE1 3.44Å; S91-E101 PolarHBondContact OG-N 3.33Å; S91-E101 PolarHBondContact OG-OE1 2.95Å; H94-E101 IonicContact CE1-OE1 3.75Å; H94-E101 IonicContact NE2-OE1 3.56Å; E101-K104 VanDerWaalsContact OE1-CD 3.25Å; E101-K104 WeakPolarHBondContact OE1-CD 3.45Å; E101-K104 IonicContact OE1-NZ 2.68Å; E101-K104 PolarHBondContact OE1-NZ 3.14Å; E101-K104 VanDerWaalsContact OE2-CD 3.24Å; E101-K104 WeakPolarHBondContact OE2-CD 3.26Å; E101-K104 WeakPolarHBondContact OE2-CE 3.39Å; E101-K104 IonicContact OE2-NZ 2.7Å; E101-K104 PolarHBondContact OE2-NZ 2.9Å; E101-S105 WeakPolarHBondContact O-CB 3.43Å; E101-S105 PolarHBondContact O-N 3.36Å; E101-S105 PolarHBondContact O-OG 2.85Å |
| 102 | G | 97.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 46.1 Ų | 46.1 | 32% | 0.32 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C100 F106 R139 | C100-G102 PolarHBondContact O-N 2.92Å; C100-G102 VanDerWaalsContact O-N 3.07Å; G102-F106 VanDerWaalsContact O-CB 3.24Å; G102-F106 WeakPolarHBondContact O-CB 3.4Å; G102-F106 PolarHBondContact O-N 2.99Å; G102-R139 PolarHBondContact O-NH2 3.29Å |
| 103 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -80.3 | -39.2 | 179 | -74 | 0 | 0 | 0 | 0 | 112.3 | V85 C100 S105 F106 F107 R139 | V85-C103 HydrophobicContact CB-CB 4.18Å; V85-C103 HydrophobicContact CG1-CB 4.36Å; V85-C103 HydrophobicContact CG2-CB 4.35Å; C100-C103 PolarHBondContact O-N 3.24Å; C103-S105 PolarHBondContact O-N 2.82Å; C103-F106 PolarHBondContact O-N 3.23Å; C103-F107 VanDerWaalsContact O-CB 3.28Å; C103-F107 WeakPolarHBondContact O-CB 2.87Å; C103-F107 PolarHBondContact O-N 3.14Å; C103-R139 PolarHBondContact SG-NH2 3.39Å; C103-R139 VanDerWaalsContact SG-NH2 3.39Å |
| 104 | K | 97.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -49.6 | -54.1 | 165.4 | 170.3 | -161 | -170.6 | -178.8 | 0 | 111.7 | H94 Y95 C100 E101 F107 K108 | H94-K104 HydrophobicContact CB-CB 4Å; H94-K104 HydrophobicContact CB-CD 4.33Å; H94-K104 HydrophobicContact CB-CG 3.82Å; H94-K104 VanDerWaalsContact CE1-CE 3.46Å; H94-K104 WeakPolarHBondContact CE1-CE 3.23Å; H94-K104 PolarHBondContact CE1-NZ 2.98Å; H94-K104 WeakPolarHBondContact ND1-CD 3.36Å; H94-K104 WeakPolarHBondContact ND1-CE 3.29Å; Y95-K104 HydrophobicContact CE2-CG 3.95Å; C100-K104 PolarHBondContact O-N 3.15Å; E101-K104 VanDerWaalsContact OE1-CD 3.25Å; E101-K104 WeakPolarHBondContact OE1-CD 3.45Å; E101-K104 IonicContact OE1-NZ 2.68Å; E101-K104 PolarHBondContact OE1-NZ 3.14Å; E101-K104 VanDerWaalsContact OE2-CD 3.24Å; E101-K104 WeakPolarHBondContact OE2-CD 3.26Å; E101-K104 WeakPolarHBondContact OE2-CE 3.39Å; E101-K104 IonicContact OE2-NZ 2.7Å; E101-K104 PolarHBondContact OE2-NZ 2.9Å; K104-F107 PolarHBondContact O-N 2.93Å; K104-K108 WeakPolarHBondContact O-CB 3.3Å; K104-K108 PolarHBondContact O-N 2.59Å |
| 105 | S | 96.9 | Very high | 95 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.9 | -33.4 | -175.5 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | E101 C103 R109 | E101-S105 WeakPolarHBondContact O-CB 3.43Å; E101-S105 PolarHBondContact O-N 3.36Å; E101-S105 PolarHBondContact O-OG 2.85Å; C103-S105 PolarHBondContact O-N 2.82Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 2.68Å |
| 106 | F | 98.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60 | -56.3 | 169.2 | 171.6 | -96.9 | 0 | 0 | 0 | 110.7 | G102 C103 K108 R109 S110 Y117 Q136 R139 L140 | G102-F106 VanDerWaalsContact O-CB 3.24Å; G102-F106 WeakPolarHBondContact O-CB 3.4Å; G102-F106 PolarHBondContact O-N 2.99Å; C103-F106 PolarHBondContact O-N 3.23Å; F106-K108 VanDerWaalsContact C-N 3.35Å; F106-K108 PolarHBondContact O-N 2.7Å; F106-R109 PolarHBondContact O-N 2.92Å; F106-R109 VanDerWaalsContact O-N 3.07Å; F106-S110 PolarHBondContact O-N 3.42Å; F106-S110 PolarHBondContact O-OG 3.43Å; F106-S110 VanDerWaalsContact O-OG 3.06Å; F106-Y117 AromaticContact CE2-CE2 3.96Å; F106-Y117 HydrophobicContact CE2-CE2 3.96Å; F106-Y117 HydrophobicContact CZ-CD2 4.35Å; F106-Y117 AromaticContact CZ-CE2 3.63Å; F106-Y117 HydrophobicContact CZ-CE2 3.63Å; F106-Q136 HydrophobicContact CE2-CB 4.14Å; F106-Q136 HydrophobicContact CE2-CG 4.19Å; F106-Q136 HydrophobicContact CZ-CB 4.28Å; F106-Q136 WeakPolarHBondContact CZ-O 3.39Å; F106-R139 HydrophobicContact CD1-CG 3.98Å; F106-R139 HydrophobicContact CE1-CB 3.95Å; F106-R139 HydrophobicContact CE1-CG 3.79Å; F106-R139 HydrophobicContact CZ-CB 4.06Å; F106-R139 HydrophobicContact CZ-CG 4.26Å; F106-L140 HydrophobicContact CE1-CB 3.88Å; F106-L140 HydrophobicContact CE1-CD1 4.2Å; F106-L140 HydrophobicContact CZ-CB 4.05Å |
| 107 | F | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | -178.9 | -171.2 | -101.9 | 0 | 0 | 0 | 112.1 | Y95 C103 K104 R109 S110 V111 L140 C143 L144 M148 R149 R150 V153 | Y95-F107 AromaticContact CD2-CD1 3.61Å; Y95-F107 HydrophobicContact CD2-CD1 3.61Å; Y95-F107 HydrophobicContact CD2-CE1 4.26Å; Y95-F107 HydrophobicContact CE2-CD1 4.23Å; Y95-F107 AromaticContact CG-CD1 3.89Å; Y95-F107 HydrophobicContact CG-CD1 3.89Å; Y95-F107 HydrophobicContact CG-CE1 4.07Å; C103-F107 VanDerWaalsContact O-CB 3.28Å; C103-F107 WeakPolarHBondContact O-CB 2.87Å; C103-F107 PolarHBondContact O-N 3.14Å; K104-F107 PolarHBondContact O-N 2.93Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 3.4Å; F107-S110 PolarHBondContact O-N 3.44Å; F107-V111 HydrophobicContact CD1-CG2 4.23Å; F107-V111 HydrophobicContact CD2-CG2 4.34Å; F107-V111 HydrophobicContact CE1-CG2 3.94Å; F107-V111 HydrophobicContact CE2-CG2 4.05Å; F107-V111 HydrophobicContact CG-CG2 4.43Å; F107-V111 HydrophobicContact CZ-CG2 3.85Å; F107-V111 WeakPolarHBondContact O-CG2 3.2Å; F107-V111 PolarHBondContact O-N 3.37Å; F107-L140 HydrophobicContact CD2-CD1 3.93Å; F107-L140 HydrophobicContact CE2-CD1 4.25Å; F107-C143 HydrophobicContact CD2-CB 3.57Å; F107-C143 HydrophobicContact CE2-CB 3.97Å; F107-L144 HydrophobicContact CE2-CD2 3.81Å; F107-L144 HydrophobicContact CE2-CG 4.3Å; F107-L144 HydrophobicContact CZ-CD2 4.17Å; F107-M148 HydrophobicContact CB-CE 3.75Å; F107-M148 HydrophobicContact CB-SD 4.38Å; F107-M148 HydrophobicContact CD1-CB 4.32Å; F107-M148 HydrophobicContact CD1-CE 3.89Å; F107-M148 HydrophobicContact CD2-CB 4.15Å; F107-M148 HydrophobicContact CD2-CE 4.37Å; F107-M148 HydrophobicContact CD2-SD 4.26Å; F107-M148 HydrophobicContact CE1-CB 3.93Å; F107-M148 HydrophobicContact CE2-CB 3.75Å; F107-M148 HydrophobicContact CG-CB 4.41Å; F107-M148 HydrophobicContact CG-CE 3.76Å; F107-M148 HydrophobicContact CG-SD 4.22Å; F107-M148 HydrophobicContact CZ-CB 3.63Å; F107-M148 VanDerWaalsContact CZ-O 3.24Å; F107-M148 WeakPolarHBondContact CZ-O 3.45Å; F107-R149 WeakPolarHBondContact CE1-O 3.47Å; F107-R150 HydrophobicContact CZ-CG 3.98Å; F107-V153 HydrophobicContact CD1-CG2 3.7Å; F107-V153 HydrophobicContact CE1-CG2 3.48Å; F107-V153 VanDerWaalsContact CE1-CG2 3.48Å |
| 108 | K | 95.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -53.8 | -44.5 | 174.4 | -174.8 | 176.4 | 69 | -177.5 | 0 | 112.6 | Y95 K104 F106 R112 V153 | Y95-K108 HydrophobicContact CE2-CB 4.29Å; Y95-K108 WeakPolarHBondContact OH-CD 3.14Å; K104-K108 WeakPolarHBondContact O-CB 3.3Å; K104-K108 PolarHBondContact O-N 2.59Å; F106-K108 VanDerWaalsContact C-N 3.35Å; F106-K108 PolarHBondContact O-N 2.7Å; K108-R112 VanDerWaalsContact O-CB 3.26Å; K108-R112 WeakPolarHBondContact O-CB 3.49Å; K108-R112 VanDerWaalsContact O-CG 3.32Å; K108-R112 WeakPolarHBondContact O-CG 3.46Å; K108-R112 PolarHBondContact O-N 2.71Å; K108-R112 VanDerWaalsContact O-N 3.09Å; K108-V153 HydrophobicContact CB-CG1 4.35Å; K108-V153 HydrophobicContact CG-CG1 4.03Å |
| 109 | R | 95.4 | Very high | 94.7 | Very high | 139 Ų | 139 | 59.8 Ų | 59.8 | 53% | 0.525 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72 | -44.5 | 179.1 | -72.2 | -174.7 | -59.4 | -108 | 2.3 | 111.9 | S105 F106 F107 V111 R113 | S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 2.68Å; F106-R109 PolarHBondContact O-N 2.92Å; F106-R109 VanDerWaalsContact O-N 3.07Å; F107-R109 VanDerWaalsContact C-N 3.31Å; F107-R109 PolarHBondContact O-N 3.4Å; R109-V111 PolarHBondContact O-N 3.46Å; R109-R113 WeakPolarHBondContact O-CB 3.43Å; R109-R113 PolarHBondContact O-N 2.9Å; R109-R113 VanDerWaalsContact O-N 3.14Å |
| 110 | S | 95.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | -179.7 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | F106 F107 N114 L115 Y117 | F106-S110 PolarHBondContact O-N 3.42Å; F106-S110 PolarHBondContact O-OG 3.43Å; F106-S110 VanDerWaalsContact O-OG 3.06Å; F107-S110 PolarHBondContact O-N 3.44Å; S110-N114 WeakPolarHBondContact O-CA 3.32Å; S110-N114 PolarHBondContact O-N 3Å; S110-L115 PolarHBondContact O-N 2.88Å; S110-Y117 WeakPolarHBondContact OG-CE2 3.11Å; S110-Y117 PolarHBondContact OG-OH 2.96Å |
| 111 | V | 93.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 74.9 Ų | 74.9 | 22% | 0.218 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.8 | -49.4 | 178.4 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | F107 R109 R113 N114 R150 V153 | F107-V111 HydrophobicContact CD1-CG2 4.23Å; F107-V111 HydrophobicContact CD2-CG2 4.34Å; F107-V111 HydrophobicContact CE1-CG2 3.94Å; F107-V111 HydrophobicContact CE2-CG2 4.05Å; F107-V111 HydrophobicContact CG-CG2 4.43Å; F107-V111 HydrophobicContact CZ-CG2 3.85Å; F107-V111 WeakPolarHBondContact O-CG2 3.2Å; F107-V111 PolarHBondContact O-N 3.37Å; R109-V111 PolarHBondContact O-N 3.46Å; V111-R113 VanDerWaalsContact C-N 3.26Å; V111-R113 PolarHBondContact O-N 3.17Å; V111-N114 PolarHBondContact O-N 3.32Å; V111-N114 VanDerWaalsContact O-N 3.07Å; V111-R150 HydrophobicContact CG1-CB 4.08Å; V111-R150 HydrophobicContact CG2-CB 4.3Å; V111-R150 HydrophobicContact CG2-CG 4.08Å; V111-V153 HydrophobicContact CB-CB 4.14Å; V111-V153 HydrophobicContact CB-CG1 4.22Å; V111-V153 HydrophobicContact CB-CG2 3.98Å; V111-V153 HydrophobicContact CG1-CB 3.84Å; V111-V153 HydrophobicContact CG1-CG1 4.32Å; V111-V153 HydrophobicContact CG1-CG2 3.99Å; V111-V153 HydrophobicContact CG2-CG2 4.16Å |
| 112 | R | 87.4 | Confident | 94.2 | Very high | 117 Ų | 117 | 76.9 Ų | 76.9 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -27.9 | -177.4 | -77.1 | -174.5 | 174.3 | -179.3 | -0.5 | 114.7 | K108 V153 Q154 | K108-R112 VanDerWaalsContact O-CB 3.26Å; K108-R112 WeakPolarHBondContact O-CB 3.49Å; K108-R112 VanDerWaalsContact O-CG 3.32Å; K108-R112 WeakPolarHBondContact O-CG 3.46Å; K108-R112 PolarHBondContact O-N 2.71Å; K108-R112 VanDerWaalsContact O-N 3.09Å; R112-V153 HydrophobicContact CG-CG1 3.79Å; R112-Q154 VanDerWaalsContact CZ-O 3.23Å; R112-Q154 PolarHBondContact NE-O 2.87Å; R112-Q154 PolarHBondContact NH2-O 3.07Å |
| 113 | R | 85.9 | Confident | 94.1 | Very high | 192 Ų | 192 | 82 Ų | 82 | 73% | 0.725 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 10.6 | 177.2 | -68.1 | -176.9 | 176.5 | -174.6 | -2.4 | 113.1 | R109 V111 L115 | R109-R113 WeakPolarHBondContact O-CB 3.43Å; R109-R113 PolarHBondContact O-N 2.9Å; R109-R113 VanDerWaalsContact O-N 3.14Å; V111-R113 VanDerWaalsContact C-N 3.26Å; V111-R113 PolarHBondContact O-N 3.17Å; R113-L115 VanDerWaalsContact C-N 3.26Å; R113-L115 HydrophobicContact CB-CD1 4.16Å; R113-L115 HydrophobicContact CB-CD2 3.78Å; R113-L115 HydrophobicContact CB-CG 3.7Å; R113-L115 PolarHBondContact O-N 3.2Å |
| 114 | N | 86 | Confident | 93.9 | Very high | 138 Ų | 138 | 87.8 Ų | 87.8 | 74% | 0.738 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 46.4 | -176.7 | -160.5 | 32.2 | 0 | 0 | 0 | 114.1 | S110 V111 T116 | S110-N114 WeakPolarHBondContact O-CA 3.32Å; S110-N114 PolarHBondContact O-N 3Å; V111-N114 PolarHBondContact O-N 3.32Å; V111-N114 VanDerWaalsContact O-N 3.07Å; N114-T116 PolarHBondContact O-N 3.41Å |
| 115 | L | 91.4 | Very high | 93.9 | Very high | 62 Ų | 62 | 87.2 Ų | 87.2 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | trans | -78.4 | 110.2 | -169.6 | -60.8 | 178 | 0 | 0 | 0 | 112 | S110 R113 Y117 | S110-L115 PolarHBondContact O-N 2.88Å; R113-L115 VanDerWaalsContact C-N 3.26Å; R113-L115 HydrophobicContact CB-CD1 4.16Å; R113-L115 HydrophobicContact CB-CD2 3.78Å; R113-L115 HydrophobicContact CB-CG 3.7Å; R113-L115 PolarHBondContact O-N 3.2Å; L115-Y117 HydrophobicContact CB-CE1 4.06Å; L115-Y117 HydrophobicContact CB-CE2 4.37Å; L115-Y117 HydrophobicContact CD1-CE1 4.39Å; L115-Y117 WeakPolarHBondContact CD1-OH 3.48Å | ||
| 116 | T | 91.6 | Very high | 93.8 | Very high | 132 Ų | 132 | 90.4 Ų | 90.4 | 81% | 0.81 | 44% | 0.441 | S | S | * | . | trans | -76.2 | 131.6 | 164.2 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | N114 | N114-T116 PolarHBondContact O-N 3.41Š| ||
| 117 | Y | 95.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 90.5 Ų | 90.5 | 15% | 0.145 | 44% | 0.442 | C | S | . | . | trans | -116.8 | 152.6 | 175.5 | -59.8 | -58.9 | 0 | 0 | 0 | 110.5 | F106 S110 L115 Q136 Y137 L140 | F106-Y117 AromaticContact CE2-CE2 3.96Å; F106-Y117 HydrophobicContact CE2-CE2 3.96Å; F106-Y117 HydrophobicContact CZ-CD2 4.35Å; F106-Y117 AromaticContact CZ-CE2 3.63Å; F106-Y117 HydrophobicContact CZ-CE2 3.63Å; S110-Y117 WeakPolarHBondContact OG-CE2 3.11Å; S110-Y117 PolarHBondContact OG-OH 2.96Å; L115-Y117 HydrophobicContact CB-CE1 4.06Å; L115-Y117 HydrophobicContact CB-CE2 4.37Å; L115-Y117 HydrophobicContact CD1-CE1 4.39Å; L115-Y117 WeakPolarHBondContact CD1-OH 3.48Å; Y117-Q136 HydrophobicContact CD1-CB 3.75Å; Y117-Q136 VanDerWaalsContact CD1-OE1 3.23Å; Y117-Q136 HydrophobicContact CD2-CB 3.83Å; Y117-Q136 HydrophobicContact CE1-CB 3.97Å; Y117-Q136 HydrophobicContact CE1-CG 4.46Å; Y117-Q136 HydrophobicContact CE2-CB 4.03Å; Y117-Q136 HydrophobicContact CG-CB 3.68Å; Y117-Y137 WeakPolarHBondContact O-CD2 3.47Å; Y117-L140 HydrophobicContact CD2-CB 4.18Å; Y117-L140 HydrophobicContact CD2-CD2 3.86Å; Y117-L140 HydrophobicContact CE2-CB 4.37Å; Y117-L140 HydrophobicContact CE2-CD2 3.95Å | ||
| 118 | T | 94.6 | Very high | 93.7 | Very high | 117 Ų | 117 | 92.8 Ų | 92.8 | 72% | 0.718 | 45% | 0.454 | S | S | * | . | trans | -111.9 | 137.3 | 174.1 | -56.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 119 | C | 96.8 | Very high | 93.7 | Very high | 14 Ų | 14 | 93.8 Ų | 93.8 | 10% | 0.095 | 46% | 0.46 | C | S | . | . | trans | -84.8 | 133.3 | 170.1 | -167 | 0 | 0 | 0 | 0 | 109.8 | A121 R123 Y137 | C119-A121 PolarHBondContact O-N 2.78Å; C119-A121 PolarHBondContact SG-N 2.86Å; C119-A121 PolarHBondContact SG-O 3.36Å; C119-A121 VanDerWaalsContact SG-O 3.36Å; C119-R123 HydrophobicContact CB-CG 3.81Å; C119-Y137 HydrophobicContact CB-CD1 3.64Å; C119-Y137 HydrophobicContact CB-CE1 4.31Å; C119-Y137 HydrophobicContact CB-CG 4.04Å | ||
| 120 | R | 95.8 | Very high | 93.6 | Very high | 259 Ų | 259 | 93.9 Ų | 93.9 | 98% | 0.977 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -88.8 | 15.4 | 173.2 | -61.5 | -177.7 | 178.8 | 175.9 | -2.2 | 113.1 | ||
| 121 | A | 93.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 97.6 Ų | 97.6 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -150.1 | -167.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | C119 R123 | C119-A121 PolarHBondContact O-N 2.78Å; C119-A121 PolarHBondContact SG-N 2.86Å; C119-A121 PolarHBondContact SG-O 3.36Å; C119-A121 VanDerWaalsContact SG-O 3.36Å; A121-R123 PolarHBondContact O-N 2.69Å |
| 122 | N | 93.8 | Very high | 93.6 | Very high | 126 Ų | 126 | 97.6 Ų | 97.6 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -62.6 | 17.3 | -174.4 | 70.7 | 3.6 | 0 | 0 | 0 | 117.5 | N124 | N122-N124 PolarHBondContact O-N 3.33Å; N122-N124 PolarHBondContact OD1-N 2.81Å |
| 123 | R | 93.8 | Very high | 94 | Very high | 138 Ų | 138 | 97.7 Ų | 97.7 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 57.4 | 18.5 | -179 | -65.1 | -178.4 | -176.4 | -133.4 | 7.1 | 114.6 | C119 A121 Y137 C138 K141 | C119-R123 HydrophobicContact CB-CG 3.81Å; A121-R123 PolarHBondContact O-N 2.69Å; R123-Y137 HydrophobicContact CB-CD1 4.49Å; R123-Y137 HydrophobicContact CB-CE1 3.75Å; R123-Y137 HydrophobicContact CG-CD1 4.38Å; R123-Y137 HydrophobicContact CG-CE1 3.73Å; R123-Y137 PolarHBondContact NH1-OH 2.81Å; R123-C138 VanDerWaalsContact C-SG 3.59Å; R123-K141 PolarHBondContact O-NZ 3.28Å |
| 124 | N | 95.3 | Very high | 94.5 | Very high | 122 Ų | 122 | 95.8 Ų | 95.8 | 65% | 0.652 | 49% | 0.488 | S | S | * | . | trans | -135.7 | 31.2 | -177.7 | -159.2 | 48.1 | 0 | 0 | 0 | 113.4 | N122 | N122-N124 PolarHBondContact O-N 3.33Å; N122-N124 PolarHBondContact OD1-N 2.81Å | ||
| 125 | C | 96.6 | Very high | 95.1 | Very high | 33 Ų | 33 | 89.8 Ų | 89.8 | 22% | 0.223 | 46% | 0.457 | C | S | . | . | trans | -59.7 | 141.2 | 178.6 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | C135 C138 | C125-C135 HydrophobicContact CB-CB 3.99Å; C125-C138 HydrophobicContact CB-CB 3.89Å; C125-C138 PolarHBondContact N-SG 2.7Å; C125-C138 VanDerWaalsContact N-SG 3.4Å | ||
| 126 | P | 95.8 | Very high | 95.4 | Very high | 95 Ų | 95 | 91.7 Ų | 91.7 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | trans | -62.8 | 151.2 | 173.5 | 28.2 | -35 | 0 | 0 | 0 | 111.3 | ||||
| 127 | I | 97.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 88.1 Ų | 88.1 | 6% | 0.062 | 44% | 0.436 | C | S | . | . | trans | -136.7 | 96.4 | -179.3 | -57.4 | -67.4 | 0 | 0 | 0 | 108 | V85 C86 R132 C138 R139 K142 | V85-I127 HydrophobicContact CG1-CG2 4.16Å; V85-I127 WeakPolarHBondContact O-CG2 3.4Å; C86-I127 HydrophobicContact CB-CG2 4.17Å; I127-R132 HydrophobicContact CG2-CB 3.9Å; I127-C138 HydrophobicContact CD1-CB 4.05Å; I127-C138 HydrophobicContact CG1-CB 4.35Å; I127-R139 HydrophobicContact CD1-CB 3.92Å; I127-R139 HydrophobicContact CG2-CG 4.21Å; I127-K142 HydrophobicContact CB-CD 3.78Å; I127-K142 HydrophobicContact CG1-CD 4.25Å; I127-K142 HydrophobicContact CG2-CD 4.15Å; I127-K142 PolarHBondContact O-NZ 2.93Å | ||
| 128 | D | 96.2 | Very high | 95.8 | Very high | 48 Ų | 48 | 86.6 Ų | 86.6 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | trans | -119.4 | -176.8 | 176.1 | 62.7 | 67 | 0 | 0 | 0 | 111 | C86 H130 H131 R132 | C86-D128 CarbonylContact O-C 3.39Å; D128-H130 VanDerWaalsContact C-N 3.29Å; D128-H130 PolarHBondContact O-N 3.44Å; D128-H130 WeakPolarHBondContact OD1-CA 3.35Å; D128-H130 PolarHBondContact OD1-N 2.91Å; D128-H131 VanDerWaalsContact CG-ND1 3.33Å; D128-H131 IonicContact OD1-CE1 3.49Å; D128-H131 IonicContact OD1-CG 2.74Å; D128-H131 PolarHBondContact OD1-N 2.93Å; D128-H131 IonicContact OD1-ND1 3.24Å; D128-H131 PolarHBondContact OD1-ND1 3.44Å; D128-H131 VanDerWaalsContact OD1-ND1 3.15Å; D128-H131 WeakPolarHBondContact OD2-CB 3.39Å; D128-H131 IonicContact OD2-CE1 2.77Å; D128-H131 IonicContact OD2-CG 3.56Å; D128-H131 IonicContact OD2-ND1 2.78Å; D128-H131 PolarHBondContact OD2-ND1 2.95Å; D128-R132 WeakPolarHBondContact O-CB 3.46Å; D128-R132 WeakPolarHBondContact O-CD 3.31Å; D128-R132 WeakPolarHBondContact O-CG 3.31Å; D128-R132 PolarHBondContact O-N 3.38Å; D128-R132 VanDerWaalsContact O-N 3.15Å | ||
| 129 | Q | 95.1 | Very high | 96 | Very high | 89 Ų | 89 | 81.5 Ų | 81.5 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.8 | -176.2 | 176.9 | 166.6 | -30.6 | 0 | 0 | 114.3 | C86 D88 R132 | C86-Q129 PolarHBondContact O-N 3.44Å; D88-Q129 HydrophobicContact CB-CB 4.12Å; D88-Q129 HydrophobicContact CB-CG 3.95Å; Q129-R132 WeakPolarHBondContact O-CD 3.24Å; Q129-R132 PolarHBondContact O-NE 2.77Å; Q129-R132 PolarHBondContact O-NH2 3.48Å |
| 130 | H | 93.8 | Very high | 96.1 | Very high | 140 Ų | 140 | 82.1 Ų | 82.1 | 65% | 0.648 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -46.8 | -175.3 | -55.5 | -87.5 | 0 | 0 | 0 | 110.7 | D128 | D128-H130 VanDerWaalsContact C-N 3.29Å; D128-H130 PolarHBondContact O-N 3.44Å; D128-H130 WeakPolarHBondContact OD1-CA 3.35Å; D128-H130 PolarHBondContact OD1-N 2.91Å |
| 131 | H | 92.6 | Very high | 96.2 | Very high | 82 Ų | 82 | 74.2 Ų | 74.2 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -92.6 | -7.2 | -169.2 | -50 | 116.4 | 0 | 0 | 0 | 114.7 | D128 N133 Q134 | D128-H131 VanDerWaalsContact CG-ND1 3.33Å; D128-H131 IonicContact OD1-CE1 3.49Å; D128-H131 IonicContact OD1-CG 2.74Å; D128-H131 PolarHBondContact OD1-N 2.93Å; D128-H131 IonicContact OD1-ND1 3.24Å; D128-H131 PolarHBondContact OD1-ND1 3.44Å; D128-H131 VanDerWaalsContact OD1-ND1 3.15Å; D128-H131 WeakPolarHBondContact OD2-CB 3.39Å; D128-H131 IonicContact OD2-CE1 2.77Å; D128-H131 IonicContact OD2-CG 3.56Å; D128-H131 IonicContact OD2-ND1 2.78Å; D128-H131 PolarHBondContact OD2-ND1 2.95Å; H131-N133 PolarHBondContact O-N 3.09Å; H131-Q134 HydrophobicContact CB-CG 4.37Å; H131-Q134 PolarHBondContact CD2-NE2 3.47Å; H131-Q134 VanDerWaalsContact CD2-NE2 3.34Å; H131-Q134 WeakPolarHBondContact O-CB 3.37Å; H131-Q134 WeakPolarHBondContact O-CG 3.08Å; H131-Q134 PolarHBondContact O-N 3.02Å |
| 132 | R | 96.2 | Very high | 96.4 | Very high | 36 Ų | 36 | 74.6 Ų | 74.6 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -49.7 | -16 | 174.5 | 56 | -170.5 | 174.6 | 169.6 | -8.7 | 116.7 | C86 D88 C100 I127 D128 Q129 R139 | C86-R132 HydrophobicContact CB-CB 4.42Å; C86-R132 PolarHBondContact SG-NH1 3.31Å; C86-R132 VanDerWaalsContact SG-NH1 3.35Å; D88-R132 IonicContact OD2-CZ 3.44Å; D88-R132 IonicContact OD2-NH1 2.77Å; D88-R132 PolarHBondContact OD2-NH1 3.05Å; D88-R132 IonicContact OD2-NH2 2.82Å; D88-R132 PolarHBondContact OD2-NH2 3.41Å; C100-R132 PolarHBondContact SG-NH1 3.15Å; I127-R132 HydrophobicContact CG2-CB 3.9Å; D128-R132 WeakPolarHBondContact O-CB 3.46Å; D128-R132 WeakPolarHBondContact O-CD 3.31Å; D128-R132 WeakPolarHBondContact O-CG 3.31Å; D128-R132 PolarHBondContact O-N 3.38Å; D128-R132 VanDerWaalsContact O-N 3.15Å; Q129-R132 WeakPolarHBondContact O-CD 3.24Å; Q129-R132 PolarHBondContact O-NE 2.77Å; Q129-R132 PolarHBondContact O-NH2 3.48Å; R132-R139 VanDerWaalsContact O-CD 3.3Å; R132-R139 WeakPolarHBondContact O-CD 3.35Å; R132-R139 PolarHBondContact O-NH1 3.44Å |
| 133 | N | 96.1 | Very high | 96.6 | Very high | 119 Ų | 119 | 68.6 Ų | 68.6 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -88.7 | -19.1 | 175.8 | -68.1 | -16.9 | 0 | 0 | 0 | 113.3 | H131 C135 R139 | H131-N133 PolarHBondContact O-N 3.09Å; N133-C135 PolarHBondContact O-N 3.39Å; N133-R139 PolarHBondContact OD1-NH1 3.3Å |
| 134 | Q | 96.1 | Very high | 96.7 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -35.5 | -174.5 | -65.9 | 178.3 | -10 | 0 | 0 | 113.6 | H131 | H131-Q134 HydrophobicContact CB-CG 4.37Å; H131-Q134 PolarHBondContact CD2-NE2 3.47Å; H131-Q134 VanDerWaalsContact CD2-NE2 3.34Å; H131-Q134 WeakPolarHBondContact O-CB 3.37Å; H131-Q134 WeakPolarHBondContact O-CG 3.08Å; H131-Q134 PolarHBondContact O-N 3.02Å |
| 135 | C | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 67.3 Ų | 67.3 | 9% | 0.088 | 33% | 0.326 | C | S | . | . | trans | -134.4 | 97.6 | 178.8 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | C125 N133 Y137 C138 R139 | C125-C135 HydrophobicContact CB-CB 3.99Å; N133-C135 PolarHBondContact O-N 3.39Å; C135-Y137 VanDerWaalsContact C-N 3.3Å; C135-Y137 PolarHBondContact O-N 2.87Å; C135-C138 HydrophobicContact CB-CB 4.04Å; C135-C138 PolarHBondContact O-N 2.83Å; C135-R139 PolarHBondContact O-N 2.82Å | ||
| 136 | Q | 97.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 178 | -63.6 | 174.7 | -18.9 | 0 | 0 | 112.5 | F106 Y117 R139 L140 | F106-Q136 HydrophobicContact CE2-CB 4.14Å; F106-Q136 HydrophobicContact CE2-CG 4.19Å; F106-Q136 HydrophobicContact CZ-CB 4.28Å; F106-Q136 WeakPolarHBondContact CZ-O 3.39Å; Y117-Q136 HydrophobicContact CD1-CB 3.75Å; Y117-Q136 VanDerWaalsContact CD1-OE1 3.23Å; Y117-Q136 HydrophobicContact CD2-CB 3.83Å; Y117-Q136 HydrophobicContact CE1-CB 3.97Å; Y117-Q136 HydrophobicContact CE1-CG 4.46Å; Y117-Q136 HydrophobicContact CE2-CB 4.03Å; Y117-Q136 HydrophobicContact CG-CB 3.68Å; Q136-R139 PolarHBondContact O-N 3.15Å; Q136-L140 WeakPolarHBondContact O-CB 3.23Å; Q136-L140 PolarHBondContact O-N 2.89Å |
| 137 | Y | 98.3 | Very high | 96.7 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -53.7 | 174.6 | 174.7 | -92.8 | 0 | 0 | 0 | 112.1 | Y117 C119 R123 C135 R139 L140 K141 | Y117-Y137 WeakPolarHBondContact O-CD2 3.47Å; C119-Y137 HydrophobicContact CB-CD1 3.64Å; C119-Y137 HydrophobicContact CB-CE1 4.31Å; C119-Y137 HydrophobicContact CB-CG 4.04Å; R123-Y137 HydrophobicContact CB-CD1 4.49Å; R123-Y137 HydrophobicContact CB-CE1 3.75Å; R123-Y137 HydrophobicContact CG-CD1 4.38Å; R123-Y137 HydrophobicContact CG-CE1 3.73Å; R123-Y137 PolarHBondContact NH1-OH 2.81Å; C135-Y137 VanDerWaalsContact C-N 3.3Å; C135-Y137 PolarHBondContact O-N 2.87Å; Y137-R139 VanDerWaalsContact C-N 3.28Å; Y137-R139 PolarHBondContact O-N 3.15Å; Y137-L140 PolarHBondContact O-N 3.04Å; Y137-K141 HydrophobicContact CE1-CD 3.87Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.31Å; Y137-K141 PolarHBondContact O-N 3.03Å |
| 138 | C | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.034 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -34.3 | -179 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | R123 C125 I127 C135 K142 | R123-C138 VanDerWaalsContact C-SG 3.59Å; C125-C138 HydrophobicContact CB-CB 3.89Å; C125-C138 PolarHBondContact N-SG 2.7Å; C125-C138 VanDerWaalsContact N-SG 3.4Å; I127-C138 HydrophobicContact CD1-CB 4.05Å; I127-C138 HydrophobicContact CG1-CB 4.35Å; C135-C138 HydrophobicContact CB-CB 4.04Å; C135-C138 PolarHBondContact O-N 2.83Å; C138-K142 WeakPolarHBondContact O-CB 3.26Å; C138-K142 PolarHBondContact O-N 3.47Å |
| 139 | R | 98.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -49.7 | 172.8 | -164.7 | -172.2 | -167.2 | 150.2 | -7.7 | 112.2 | V85 G102 C103 F106 I127 R132 N133 C135 Q136 Y137 K142 C143 | V85-R139 HydrophobicContact CG1-CG 4.43Å; G102-R139 PolarHBondContact O-NH2 3.29Å; C103-R139 PolarHBondContact SG-NH2 3.39Å; C103-R139 VanDerWaalsContact SG-NH2 3.39Å; F106-R139 HydrophobicContact CD1-CG 3.98Å; F106-R139 HydrophobicContact CE1-CB 3.95Å; F106-R139 HydrophobicContact CE1-CG 3.79Å; F106-R139 HydrophobicContact CZ-CB 4.06Å; F106-R139 HydrophobicContact CZ-CG 4.26Å; I127-R139 HydrophobicContact CD1-CB 3.92Å; I127-R139 HydrophobicContact CG2-CG 4.21Å; R132-R139 VanDerWaalsContact O-CD 3.3Å; R132-R139 WeakPolarHBondContact O-CD 3.35Å; R132-R139 PolarHBondContact O-NH1 3.44Å; N133-R139 PolarHBondContact OD1-NH1 3.3Å; C135-R139 PolarHBondContact O-N 2.82Å; Q136-R139 PolarHBondContact O-N 3.15Å; Y137-R139 VanDerWaalsContact C-N 3.28Å; Y137-R139 PolarHBondContact O-N 3.15Å; R139-K142 PolarHBondContact O-N 2.93Å; R139-C143 PolarHBondContact O-N 2.99Å; R139-C143 PolarHBondContact O-SG 3.22Å; R139-C143 VanDerWaalsContact O-SG 3.39Å |
| 140 | L | 98.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 72 Ų | 72 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 179.5 | -173.8 | 61.4 | 0 | 0 | 0 | 111.4 | F106 F107 Y117 Q136 Y137 K142 C143 L144 | F106-L140 HydrophobicContact CE1-CB 3.88Å; F106-L140 HydrophobicContact CE1-CD1 4.2Å; F106-L140 HydrophobicContact CZ-CB 4.05Å; F107-L140 HydrophobicContact CD2-CD1 3.93Å; F107-L140 HydrophobicContact CE2-CD1 4.25Å; Y117-L140 HydrophobicContact CD2-CB 4.18Å; Y117-L140 HydrophobicContact CD2-CD2 3.86Å; Y117-L140 HydrophobicContact CE2-CB 4.37Å; Y117-L140 HydrophobicContact CE2-CD2 3.95Å; Q136-L140 WeakPolarHBondContact O-CB 3.23Å; Q136-L140 PolarHBondContact O-N 2.89Å; Y137-L140 PolarHBondContact O-N 3.04Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 3.12Å; L140-C143 WeakPolarHBondContact O-CB 3.35Å; L140-C143 PolarHBondContact O-N 3.12Å; L140-L144 HydrophobicContact CG-CD1 4.28Å; L140-L144 WeakPolarHBondContact O-CG 3.35Å; L140-L144 PolarHBondContact O-N 3.26Å |
| 141 | K | 97.8 | Very high | 95.9 | Very high | 92 Ų | 92 | 71.8 Ų | 71.8 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56 | -42.8 | 171 | 179.3 | 178.3 | 170.2 | -175.8 | 0 | 111.4 | R123 Y137 K145 | R123-K141 PolarHBondContact O-NZ 3.28Å; Y137-K141 HydrophobicContact CE1-CD 3.87Å; Y137-K141 VanDerWaalsContact O-CB 3.26Å; Y137-K141 WeakPolarHBondContact O-CB 3.31Å; Y137-K141 PolarHBondContact O-N 3.03Å; K141-K145 VanDerWaalsContact O-CB 3.31Å; K141-K145 WeakPolarHBondContact O-CB 3.47Å; K141-K145 PolarHBondContact O-N 3.09Å |
| 142 | K | 98.2 | Very high | 95.5 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 30% | 0.3 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.7 | -44 | 176.5 | -167.1 | 175.5 | 177.2 | -170.1 | 0 | 112.4 | V85 I127 C138 R139 L140 L144 K145 V146 | V85-K142 VanDerWaalsContact O-CD 3.24Å; V85-K142 WeakPolarHBondContact O-CD 3.24Å; V85-K142 WeakPolarHBondContact O-CE 3.21Å; V85-K142 PolarHBondContact O-NZ 2.94Å; I127-K142 HydrophobicContact CB-CD 3.78Å; I127-K142 HydrophobicContact CG1-CD 4.25Å; I127-K142 HydrophobicContact CG2-CD 4.15Å; I127-K142 PolarHBondContact O-NZ 2.93Å; C138-K142 WeakPolarHBondContact O-CB 3.26Å; C138-K142 PolarHBondContact O-N 3.47Å; R139-K142 PolarHBondContact O-N 2.93Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 3.12Å; K142-L144 VanDerWaalsContact C-N 3.28Å; K142-L144 PolarHBondContact O-N 2.95Å; K142-K145 PolarHBondContact O-N 3.32Å; K142-V146 HydrophobicContact CG-CG1 4.37Å; K142-V146 WeakPolarHBondContact O-CG2 3.34Å; K142-V146 PolarHBondContact O-N 3.41Å |
| 143 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50.7 | -47.6 | 172.1 | -74.3 | 0 | 0 | 0 | 0 | 112 | F107 R139 L140 V146 M148 | F107-C143 HydrophobicContact CD2-CB 3.57Å; F107-C143 HydrophobicContact CE2-CB 3.97Å; R139-C143 PolarHBondContact O-N 2.99Å; R139-C143 PolarHBondContact O-SG 3.22Å; R139-C143 VanDerWaalsContact O-SG 3.39Å; L140-C143 WeakPolarHBondContact O-CB 3.35Å; L140-C143 PolarHBondContact O-N 3.12Å; C143-V146 WeakPolarHBondContact O-CG2 3.09Å; C143-M148 HydrophobicContact CB-CB 4.4Å; C143-M148 HydrophobicContact CB-CG 4.31Å; C143-M148 HydrophobicContact CB-SD 3.59Å; C143-M148 VanDerWaalsContact CB-SD 3.59Å; C143-M148 WeakPolarHBondContact O-CB 3.41Å; C143-M148 VanDerWaalsContact O-CG 3.3Å; C143-M148 WeakPolarHBondContact O-CG 3.48Å; C143-M148 PolarHBondContact O-N 3.47Å |
| 144 | L | 97.3 | Very high | 94.1 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.6 | -43 | 178.2 | -65.4 | 168.5 | 0 | 0 | 0 | 111.9 | F107 L140 K142 V146 G147 R150 | F107-L144 HydrophobicContact CE2-CD2 3.81Å; F107-L144 HydrophobicContact CE2-CG 4.3Å; F107-L144 HydrophobicContact CZ-CD2 4.17Å; L140-L144 HydrophobicContact CG-CD1 4.28Å; L140-L144 WeakPolarHBondContact O-CG 3.35Å; L140-L144 PolarHBondContact O-N 3.26Å; K142-L144 VanDerWaalsContact C-N 3.28Å; K142-L144 PolarHBondContact O-N 2.95Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 3.01Å; L144-G147 PolarHBondContact O-N 3.39Å; L144-R150 HydrophobicContact CD2-CG 3.65Å |
| 145 | K | 96.7 | Very high | 92.1 | Very high | 183 Ų | 183 | 71.9 Ų | 71.9 | 80% | 0.796 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61 | -33.7 | 178.4 | -175.1 | 177.1 | 178.4 | -177.6 | 0 | 113.1 | K141 K142 G147 | K141-K145 VanDerWaalsContact O-CB 3.31Å; K141-K145 WeakPolarHBondContact O-CB 3.47Å; K141-K145 PolarHBondContact O-N 3.09Å; K142-K145 PolarHBondContact O-N 3.32Å; K145-G147 PolarHBondContact O-N 3.44Å |
| 146 | V | 96.2 | Very high | 89.6 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 7.6 | 175 | -54.6 | 0 | 0 | 0 | 0 | 113.3 | V84 V85 Q97 K142 C143 L144 M148 | V84-V146 HydrophobicContact CB-CB 4.5Å; V84-V146 HydrophobicContact CG2-CB 4Å; V84-V146 HydrophobicContact CG2-CG2 3.67Å; V85-V146 HydrophobicContact CG2-CG2 3.88Å; Q97-V146 VanDerWaalsContact CG-O 3.26Å; Q97-V146 WeakPolarHBondContact CG-O 3.47Å; Q97-V146 PolarHBondContact NE2-O 2.84Å; K142-V146 HydrophobicContact CG-CG1 4.37Å; K142-V146 WeakPolarHBondContact O-CG2 3.34Å; K142-V146 PolarHBondContact O-N 3.41Å; C143-V146 WeakPolarHBondContact O-CG2 3.09Å; L144-V146 VanDerWaalsContact C-N 3.29Å; L144-V146 PolarHBondContact O-N 3.01Å; V146-M148 HydrophobicContact CG2-CG 4.26Å |
| 147 | G | 94.4 | Very high | 87 | Confident | 33 Ų | 33 | 80.5 Ų | 80.5 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 29.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q97 L144 K145 R149 | Q97-G147 WeakPolarHBondContact CG-O 3.2Å; L144-G147 PolarHBondContact O-N 3.39Å; K145-G147 PolarHBondContact O-N 3.44Å; G147-R149 PolarHBondContact O-N 3.02Å |
| 148 | M | 97.6 | Very high | 84.4 | Confident | 6 Ų | 6 | 83.6 Ų | 83.6 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | trans | -69.1 | 121.3 | 165.3 | -63.3 | -174.5 | 74.9 | 0 | 0 | 110 | V85 Y95 Q97 T99 F107 C143 V146 | V85-M148 HydrophobicContact CG2-SD 3.73Å; Y95-M148 HydrophobicContact CD2-CE 3.84Å; Y95-M148 WeakPolarHBondContact O-CA 3.38Å; Q97-M148 HydrophobicContact CB-CG 4.17Å; Q97-M148 HydrophobicContact CG-CG 4.3Å; T99-M148 HydrophobicContact CG2-CE 3.9Å; T99-M148 HydrophobicContact CG2-CG 4.5Å; T99-M148 HydrophobicContact CG2-SD 3.89Å; F107-M148 HydrophobicContact CB-CE 3.75Å; F107-M148 HydrophobicContact CB-SD 4.38Å; F107-M148 HydrophobicContact CD1-CB 4.32Å; F107-M148 HydrophobicContact CD1-CE 3.89Å; F107-M148 HydrophobicContact CD2-CB 4.15Å; F107-M148 HydrophobicContact CD2-CE 4.37Å; F107-M148 HydrophobicContact CD2-SD 4.26Å; F107-M148 HydrophobicContact CE1-CB 3.93Å; F107-M148 HydrophobicContact CE2-CB 3.75Å; F107-M148 HydrophobicContact CG-CB 4.41Å; F107-M148 HydrophobicContact CG-CE 3.76Å; F107-M148 HydrophobicContact CG-SD 4.22Å; F107-M148 HydrophobicContact CZ-CB 3.63Å; F107-M148 VanDerWaalsContact CZ-O 3.24Å; F107-M148 WeakPolarHBondContact CZ-O 3.45Å; C143-M148 HydrophobicContact CB-CB 4.4Å; C143-M148 HydrophobicContact CB-CG 4.31Å; C143-M148 HydrophobicContact CB-SD 3.59Å; C143-M148 VanDerWaalsContact CB-SD 3.59Å; C143-M148 WeakPolarHBondContact O-CB 3.41Å; C143-M148 VanDerWaalsContact O-CG 3.3Å; C143-M148 WeakPolarHBondContact O-CG 3.48Å; C143-M148 PolarHBondContact O-N 3.47Å; V146-M148 HydrophobicContact CG2-CG 4.26Å | ||
| 149 | R | 92.8 | Very high | 81.5 | Confident | 145 Ų | 145 | 87.7 Ų | 87.7 | 55% | 0.547 | 42% | 0.421 | S | S | . | . | trans | -78.7 | 116.5 | -173 | -71.5 | -174.2 | -177.2 | -144.3 | 4.7 | 112.2 | Y95 F107 G147 E151 A152 | Y95-R149 WeakPolarHBondContact O-CB 3.24Å; Y95-R149 PolarHBondContact O-N 2.91Å; F107-R149 WeakPolarHBondContact CE1-O 3.47Å; G147-R149 PolarHBondContact O-N 3.02Å; R149-E151 VanDerWaalsContact C-OE2 3.24Å; R149-E151 WeakPolarHBondContact CA-OE2 3.35Å; R149-E151 VanDerWaalsContact CB-CD 3.49Å; R149-E151 HydrophobicContact CB-CG 4.47Å; R149-E151 WeakPolarHBondContact CB-OE1 3.37Å; R149-E151 WeakPolarHBondContact CB-OE2 3.43Å; R149-E151 VanDerWaalsContact CD-OE1 3.23Å; R149-E151 WeakPolarHBondContact CD-OE1 3.38Å; R149-E151 WeakPolarHBondContact CG-OE1 3.28Å; R149-A152 HydrophobicContact CB-CB 3.78Å; R149-A152 PolarHBondContact O-N 3.19Å | ||
| 150 | R | 90.9 | Very high | 78.6 | Confident | 148 Ų | 148 | 93.7 Ų | 93.7 | 56% | 0.558 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -68.9 | -39.8 | 179.4 | -60.3 | -170.8 | -130 | -148.8 | 3.9 | 111.2 | F107 V111 L144 A152 V153 | F107-R150 HydrophobicContact CZ-CG 3.98Å; V111-R150 HydrophobicContact CG1-CB 4.08Å; V111-R150 HydrophobicContact CG2-CB 4.3Å; V111-R150 HydrophobicContact CG2-CG 4.08Å; L144-R150 HydrophobicContact CD2-CG 3.65Å; R150-A152 PolarHBondContact O-N 3.35Å; R150-V153 VanDerWaalsContact O-CB 3.28Å; R150-V153 WeakPolarHBondContact O-CB 3.42Å; R150-V153 WeakPolarHBondContact O-CG2 3.41Å; R150-V153 PolarHBondContact O-N 2.76Å |
| 151 | E | 83.7 | Confident | 75.6 | Confident | 136 Ų | 136 | 97.6 Ų | 97.6 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.6 | 176.6 | 70.4 | -75.8 | -175.1 | 0 | 0 | 112.6 | R149 V153 | R149-E151 VanDerWaalsContact C-OE2 3.24Å; R149-E151 WeakPolarHBondContact CA-OE2 3.35Å; R149-E151 VanDerWaalsContact CB-CD 3.49Å; R149-E151 HydrophobicContact CB-CG 4.47Å; R149-E151 WeakPolarHBondContact CB-OE1 3.37Å; R149-E151 WeakPolarHBondContact CB-OE2 3.43Å; R149-E151 VanDerWaalsContact CD-OE1 3.23Å; R149-E151 WeakPolarHBondContact CD-OE1 3.38Å; R149-E151 WeakPolarHBondContact CG-OE1 3.28Å; E151-V153 PolarHBondContact O-N 3.23Å |
| 152 | A | 84.7 | Confident | 72.5 | Confident | 42 Ų | 42 | 101.8 Ų | 101.8 | 35% | 0.347 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y95 R149 R150 Q154 | Y95-A152 HydrophobicContact CD1-CB 3.92Å; Y95-A152 WeakPolarHBondContact CD1-O 3.28Å; Y95-A152 WeakPolarHBondContact CE1-O 3.49Å; R149-A152 HydrophobicContact CB-CB 3.78Å; R149-A152 PolarHBondContact O-N 3.19Å; R150-A152 PolarHBondContact O-N 3.35Å; A152-Q154 VanDerWaalsContact C-N 3.26Å; A152-Q154 PolarHBondContact O-N 2.65Å; A152-Q154 VanDerWaalsContact O-N 3.09Å |
| 153 | V | 86 | Confident | 69.6 | Low | 11 Ų | 11 | 104.3 Ų | 104.3 | 7% | 0.067 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -86.7 | 65.6 | 176.4 | -164.6 | 0 | 0 | 0 | 0 | 110.4 | Y95 F107 K108 V111 R112 R150 E151 R155 | Y95-V153 HydrophobicContact CD1-CB 4.4Å; Y95-V153 HydrophobicContact CD1-CG2 3.65Å; Y95-V153 HydrophobicContact CE1-CB 4.16Å; Y95-V153 HydrophobicContact CE1-CG1 4.29Å; Y95-V153 HydrophobicContact CE1-CG2 3.76Å; Y95-V153 HydrophobicContact CG-CG2 4.07Å; F107-V153 HydrophobicContact CD1-CG2 3.7Å; F107-V153 HydrophobicContact CE1-CG2 3.48Å; F107-V153 VanDerWaalsContact CE1-CG2 3.48Å; K108-V153 HydrophobicContact CB-CG1 4.35Å; K108-V153 HydrophobicContact CG-CG1 4.03Å; V111-V153 HydrophobicContact CB-CB 4.14Å; V111-V153 HydrophobicContact CB-CG1 4.22Å; V111-V153 HydrophobicContact CB-CG2 3.98Å; V111-V153 HydrophobicContact CG1-CB 3.84Å; V111-V153 HydrophobicContact CG1-CG1 4.32Å; V111-V153 HydrophobicContact CG1-CG2 3.99Å; V111-V153 HydrophobicContact CG2-CG2 4.16Å; R112-V153 HydrophobicContact CG-CG1 3.79Å; R150-V153 VanDerWaalsContact O-CB 3.28Å; R150-V153 WeakPolarHBondContact O-CB 3.42Å; R150-V153 WeakPolarHBondContact O-CG2 3.41Å; R150-V153 PolarHBondContact O-N 2.76Å; E151-V153 PolarHBondContact O-N 3.23Å; V153-R155 PolarHBondContact O-N 3.48Å |
| 154 | Q | 77.1 | Confident | 66.4 | Low | 154 Ų | 154 | 113 Ų | 113 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | trans | -44.2 | 136.3 | 174.9 | -66.9 | 175.9 | -17.3 | 0 | 0 | 111.6 | R112 A152 | R112-Q154 VanDerWaalsContact CZ-O 3.23Å; R112-Q154 PolarHBondContact NE-O 2.87Å; R112-Q154 PolarHBondContact NH2-O 3.07Å; A152-Q154 VanDerWaalsContact C-N 3.26Å; A152-Q154 PolarHBondContact O-N 2.65Å; A152-Q154 VanDerWaalsContact O-N 3.09Å | ||
| 155 | R | 53.8 | Low | 63.9 | Low | 183 Ų | 183 | 119 Ų | 119 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.6 | 157.7 | -64.3 | -174.6 | -178.2 | -154.7 | 1 | 107.1 | V153 | V153-R155 PolarHBondContact O-N 3.48Š|
| 156 | G | 45.9 | Very low | 61.2 | Low | 39 Ų | 39 | 113.2 Ų | 113.2 | 40% | 0.402 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 158.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113 | V158 | G156-V158 WeakPolarHBondContact O-CG2 3.46Å; G156-V158 PolarHBondContact O-N 2.92Å; G156-V158 VanDerWaalsContact O-N 3.08Å |
| 157 | R | 44 | Very low | 58.3 | Low | 256 Ų | 256 | 119 Ų | 119 | 97% | 0.966 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 117 | 161.2 | -66.9 | -178.9 | -174.2 | 158.4 | -0.4 | 107.6 | ||
| 158 | V | 42.9 | Very low | 55.6 | Low | 123 Ų | 123 | 123 Ų | 123 | 75% | 0.745 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 133.7 | 176.2 | -165.7 | 0 | 0 | 0 | 0 | 107.6 | G156 | G156-V158 WeakPolarHBondContact O-CG2 3.46Å; G156-V158 PolarHBondContact O-N 2.92Å; G156-V158 VanDerWaalsContact O-N 3.08Å |
| 159 | P | 37.1 | Very low | 52.7 | Low | 91 Ų | 91 | 126 Ų | 126 | 59% | 0.591 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -60 | 155.5 | 167.6 | -21.8 | 34.1 | 0 | 0 | 0 | 111.4 | T161 | P159-T161 VanDerWaalsContact C-N 3.34Å; P159-T161 PolarHBondContact O-N 2.81Å |
| 160 | P | 37.6 | Very low | 50 | Low | 137 Ų | 137 | 124.1 Ų | 124.1 | 89% | 0.89 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -75.5 | 82.3 | -180 | 31.4 | -35.2 | 0 | 0 | 0 | 111.4 | ||
| 161 | T | 35.8 | Very low | 47.3 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | trans | -137.8 | 113.2 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | P159 | P159-T161 VanDerWaalsContact C-N 3.34Å; P159-T161 PolarHBondContact O-N 2.81Å | ||
| 162 | Q | 32.5 | Very low | 45.5 | Very low | 179 Ų | 179 | 124.6 Ų | 124.6 | 84% | 0.836 | 67% | 0.671 | S | S | * | * | trans | 33.7 | 123.1 | 160.9 | -61.6 | -66.8 | 8.9 | 0 | 0 | 119.9 | H164 | Q162-H164 PolarHBondContact O-N 2.93Š| ||
| 163 | P | 37.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 80% | 0.799 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 118.8 | 176.8 | 31.6 | -33 | 0 | 0 | 0 | 111.9 | ||
| 164 | H | 30.4 | Very low | 40.9 | Very low | 182 Ų | 182 | 129.5 Ų | 129.5 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -99 | 139.7 | 162.5 | -163 | -71.9 | 0 | 0 | 0 | 109.6 | Q162 | Q162-H164 PolarHBondContact O-N 2.93Š|
| 165 | H | 44.1 | Very low | 39.4 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.815 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -63.9 | 159.8 | 179.4 | -61.4 | -45.4 | 0 | 0 | 0 | 113.1 | ||
| 166 | G | 39.4 | Very low | 39 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | trans | 128.5 | 2.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 167 | Q | 35.7 | Very low | 39.1 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | trans | -141.6 | 81.8 | 178.7 | -69.6 | -165.3 | 9.4 | 0 | 0 | 115.3 | ||||
| 168 | F | 37.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 51% | 0.513 | 68% | 0.683 | S | S | . | * | trans | -102.6 | 81.8 | 167.5 | -63.7 | -68.6 | 0 | 0 | 0 | 111.2 | Y181 F236 | F168-Y181 AromaticContact CD1-CE2 3.97Å; F168-Y181 HydrophobicContact CD1-CE2 3.97Å; F168-F236 HydrophobicContact CB-CE1 3.86Å; F168-F236 HydrophobicContact CB-CZ 4.11Å; F168-F236 AromaticContact CD2-CE1 3.68Å; F168-F236 HydrophobicContact CD2-CE1 3.68Å; F168-F236 AromaticContact CD2-CZ 4Å; F168-F236 HydrophobicContact CD2-CZ 4Å; F168-F236 HydrophobicContact CG-CE1 4.08Å; F168-F236 HydrophobicContact CG-CZ 4.17Å | ||
| 169 | A | 36.9 | Very low | 40.4 | Very low | 70 Ų | 70 | 117.4 Ų | 117.4 | 58% | 0.579 | 67% | 0.665 | S | S | * | * | trans | -81.4 | 118.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T171 | A169-T171 PolarHBondContact O-N 3.33Š| ||
| 170 | L | 35.2 | Very low | 41.9 | Very low | 106 Ų | 106 | 117 Ų | 117 | 56% | 0.555 | 67% | 0.665 | S | S | * | * | trans | -66.4 | 120.7 | 166.2 | -70.5 | 171 | 0 | 0 | 0 | 109.2 | Y181 | L170-Y181 HydrophobicContact CD2-CE1 3.96Š| ||
| 171 | T | 35.5 | Very low | 43.7 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -134.7 | 113.7 | 170.5 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | A169 G173 | A169-T171 PolarHBondContact O-N 3.33Å; T171-G173 PolarHBondContact O-N 3.11Å; T171-G173 VanDerWaalsContact O-N 3.09Å | ||
| 172 | N | 45.1 | Very low | 45.9 | Very low | 179 Ų | 179 | 108.9 Ų | 108.9 | 96% | 0.957 | 61% | 0.605 | S | S | * | * | trans | -60.5 | 112.9 | 176.1 | -67.6 | -0.9 | 0 | 0 | 0 | 110.1 | ||||
| 173 | G | 38.4 | Very low | 48.5 | Very low | 57 Ų | 57 | 103.7 Ų | 103.7 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | trans | 174.6 | 120.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T171 | T171-G173 PolarHBondContact O-N 3.11Å; T171-G173 VanDerWaalsContact O-N 3.09Å | ||
| 174 | D | 36.4 | Very low | 51.1 | Low | 98 Ų | 98 | 99.4 Ų | 99.4 | 52% | 0.524 | 57% | 0.566 | S | S | . | * | trans | 66.3 | 109.1 | 177 | -156.5 | -21.4 | 0 | 0 | 0 | 115.4 | L176 H177 C178 | D174-L176 PolarHBondContact O-N 2.99Å; D174-L176 VanDerWaalsContact O-N 3.15Å; D174-L176 PolarHBondContact OD1-N 3.45Å; D174-H177 PolarHBondContact O-N 3.44Å; D174-C178 PolarHBondContact O-N 3.48Å | ||
| 175 | P | 44.8 | Very low | 54.1 | Low | 87 Ų | 87 | 91 Ų | 91 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -51.9 | -38.1 | 178.2 | -27.3 | 35.3 | 0 | 0 | 0 | 113.2 | H177 C178 H179 | P175-H177 PolarHBondContact O-N 2.78Å; P175-C178 WeakPolarHBondContact O-CA 3.24Å; P175-C178 WeakPolarHBondContact O-CB 3.25Å; P175-C178 PolarHBondContact O-N 3.05Å; P175-H179 VanDerWaalsContact C-CD2 3.43Å; P175-H179 PolarHBondContact O-CD2 3.15Å; P175-H179 PolarHBondContact O-N 2.84Å |
| 176 | L | 45.4 | Very low | 56.5 | Low | 128 Ų | 128 | 83 Ų | 83 | 67% | 0.67 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -29.4 | -178.7 | -64.1 | 174.5 | 0 | 0 | 0 | 113.1 | D174 | D174-L176 PolarHBondContact O-N 2.99Å; D174-L176 VanDerWaalsContact O-N 3.15Å; D174-L176 PolarHBondContact OD1-N 3.45Å |
| 177 | H | 49.1 | Very low | 59.1 | Low | 144 Ų | 144 | 82.8 Ų | 82.8 | 67% | 0.667 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -80.5 | -32.2 | 171.2 | -104.4 | 70.2 | 0 | 0 | 0 | 112.7 | D174 P175 S180 Y181 | D174-H177 PolarHBondContact O-N 3.44Å; P175-H177 PolarHBondContact O-N 2.78Å; H177-S180 PolarHBondContact O-N 3.34Å; H177-Y181 WeakPolarHBondContact O-CB 3.44Å; H177-Y181 PolarHBondContact O-N 3.4Å |
| 178 | C | 54.9 | Low | 61.9 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 43% | 0.432 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 176 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | D174 P175 S180 Y181 L182 | D174-C178 PolarHBondContact O-N 3.48Å; P175-C178 WeakPolarHBondContact O-CA 3.24Å; P175-C178 WeakPolarHBondContact O-CB 3.25Å; P175-C178 PolarHBondContact O-N 3.05Å; C178-S180 VanDerWaalsContact C-N 3.27Å; C178-S180 PolarHBondContact O-N 3.31Å; C178-Y181 PolarHBondContact O-N 3.02Å; C178-Y181 VanDerWaalsContact O-N 3.12Å; C178-L182 WeakPolarHBondContact O-CG 3.47Å; C178-L182 PolarHBondContact O-N 3.25Å |
| 179 | H | 59.5 | Low | 64.7 | Low | 78 Ų | 78 | 73 Ų | 73 | 36% | 0.361 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -54.1 | -43.9 | 175.6 | -60.5 | -68 | 0 | 0 | 0 | 111.8 | P175 S183 E351 | P175-H179 VanDerWaalsContact C-CD2 3.43Å; P175-H179 PolarHBondContact O-CD2 3.15Å; P175-H179 PolarHBondContact O-N 2.84Å; H179-S183 VanDerWaalsContact O-CB 3.24Å; H179-S183 WeakPolarHBondContact O-CB 3.33Å; H179-S183 PolarHBondContact O-N 2.87Å; H179-E351 VanDerWaalsContact CE1-CD 3.48Å; H179-E351 IonicContact CE1-OE1 3.1Å; H179-E351 PolarHBondContact CE1-OE1 3.39Å; H179-E351 IonicContact CE1-OE2 3.54Å; H179-E351 IonicContact ND1-OE1 2.9Å; H179-E351 PolarHBondContact ND1-OE1 3.15Å; H179-E351 IonicContact ND1-OE2 2.81Å; H179-E351 PolarHBondContact ND1-OE2 2.92Å |
| 180 | S | 68 | Low | 67.4 | Low | 84 Ų | 84 | 72.6 Ų | 72.6 | 59% | 0.587 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 178.2 | -172 | 0 | 0 | 0 | 0 | 112.6 | H177 C178 G184 | H177-S180 PolarHBondContact O-N 3.34Å; C178-S180 VanDerWaalsContact C-N 3.27Å; C178-S180 PolarHBondContact O-N 3.31Å; S180-G184 PolarHBondContact O-N 2.88Å |
| 181 | Y | 75.6 | Confident | 70.1 | Confident | 64 Ų | 64 | 77.7 Ų | 77.7 | 25% | 0.251 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 177.3 | 177.3 | -105.8 | 0 | 0 | 0 | 112.7 | F168 L170 H177 C178 G184 Y185 K344 | F168-Y181 AromaticContact CD1-CE2 3.97Å; F168-Y181 HydrophobicContact CD1-CE2 3.97Å; L170-Y181 HydrophobicContact CD2-CE1 3.96Å; H177-Y181 WeakPolarHBondContact O-CB 3.44Å; H177-Y181 PolarHBondContact O-N 3.4Å; C178-Y181 PolarHBondContact O-N 3.02Å; C178-Y181 VanDerWaalsContact O-N 3.12Å; Y181-G184 PolarHBondContact O-N 2.86Å; Y181-Y185 PolarHBondContact O-N 3.37Å; Y181-K344 HydrophobicContact CE1-CD 4.38Å |
| 182 | L | 82.3 | Confident | 72.9 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 6% | 0.058 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | -179.6 | -64.1 | 175.4 | 0 | 0 | 0 | 111.6 | C178 G184 Y185 I186 C347 A348 E351 | C178-L182 WeakPolarHBondContact O-CG 3.47Å; C178-L182 PolarHBondContact O-N 3.25Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 3.44Å; L182-Y185 WeakPolarHBondContact O-CB 3.13Å; L182-Y185 PolarHBondContact O-N 2.98Å; L182-I186 WeakPolarHBondContact O-CG1 3.45Å; L182-I186 PolarHBondContact O-N 3.3Å; L182-C347 HydrophobicContact CD1-CB 4.46Å; L182-A348 HydrophobicContact CB-CB 4.37Å; L182-A348 HydrophobicContact CD2-CB 4.08Å; L182-E351 HydrophobicContact CD1-CB 3.93Å; L182-E351 HydrophobicContact CD1-CG 4.11Å |
| 183 | S | 86.8 | Confident | 75 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 171 | -179 | 0 | 0 | 0 | 0 | 112.3 | H179 I186 S187 | H179-S183 VanDerWaalsContact O-CB 3.24Å; H179-S183 WeakPolarHBondContact O-CB 3.33Å; H179-S183 PolarHBondContact O-N 2.87Å; S183-I186 PolarHBondContact O-N 3.13Å; S183-S187 WeakPolarHBondContact O-CB 3.41Å; S183-S187 PolarHBondContact O-N 3.26Å; S183-S187 PolarHBondContact O-OG 3.09Å |
| 184 | G | 90.7 | Very high | 77.1 | Confident | 32 Ų | 32 | 65 Ų | 65 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S180 Y181 L182 S187 L188 | S180-G184 PolarHBondContact O-N 2.88Å; Y181-G184 PolarHBondContact O-N 2.86Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 3.44Å; G184-S187 WeakPolarHBondContact O-CB 3.44Å; G184-S187 PolarHBondContact O-N 3.1Å; G184-L188 WeakPolarHBondContact O-CG 3.47Å; G184-L188 PolarHBondContact O-N 3.01Å; G184-L188 VanDerWaalsContact O-N 3.11Å |
| 185 | Y | 94.3 | Very high | 78.8 | Confident | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 175.6 | 175.6 | -116.5 | 0 | 0 | 0 | 111.8 | Y181 L182 S187 L188 L189 P235 F236 S345 A348 | Y181-Y185 PolarHBondContact O-N 3.37Å; L182-Y185 WeakPolarHBondContact O-CB 3.13Å; L182-Y185 PolarHBondContact O-N 2.98Å; Y185-S187 VanDerWaalsContact C-N 3.28Å; Y185-S187 PolarHBondContact O-N 3.31Å; Y185-L188 WeakPolarHBondContact O-CA 3.17Å; Y185-L188 WeakPolarHBondContact O-CB 3.26Å; Y185-L188 PolarHBondContact O-N 2.87Å; Y185-L189 HydrophobicContact CD1-CD1 4.23Å; Y185-L189 HydrophobicContact CE1-CD1 3.71Å; Y185-L189 HydrophobicContact CE1-CG 4.23Å; Y185-L189 HydrophobicContact CE2-CD2 3.99Å; Y185-L189 HydrophobicContact CE2-CG 4.22Å; Y185-L189 PolarHBondContact O-N 3.24Å; Y185-P235 HydrophobicContact CD2-CB 4.36Å; Y185-P235 HydrophobicContact CD2-CG 4.11Å; Y185-P235 HydrophobicContact CE2-CB 4.16Å; Y185-P235 HydrophobicContact CE2-CG 4.13Å; Y185-F236 AromaticContact CD2-CE2 3.99Å; Y185-F236 HydrophobicContact CD2-CE2 3.99Å; Y185-F236 HydrophobicContact CE2-CD2 4.07Å; Y185-F236 AromaticContact CE2-CE2 3.74Å; Y185-F236 HydrophobicContact CE2-CE2 3.74Å; Y185-S345 PolarHBondContact OH-OG 3.18Å; Y185-A348 HydrophobicContact CD1-CB 3.89Å; Y185-A348 HydrophobicContact CE1-CB 4.34Å |
| 186 | I | 94.9 | Very high | 79.7 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 173.8 | -67 | 171.2 | 0 | 0 | 0 | 111 | L182 S183 L188 L189 L190 A314 A348 Y352 | L182-I186 WeakPolarHBondContact O-CG1 3.45Å; L182-I186 PolarHBondContact O-N 3.3Å; S183-I186 PolarHBondContact O-N 3.13Å; I186-L188 PolarHBondContact O-N 3.37Å; I186-L189 PolarHBondContact O-N 2.94Å; I186-L189 VanDerWaalsContact O-N 3.15Å; I186-L190 HydrophobicContact CG2-CD1 3.98Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CG 3.37Å; I186-L190 PolarHBondContact O-N 2.91Å; I186-A314 HydrophobicContact CG2-CB 3.67Å; I186-A348 HydrophobicContact CD1-CB 4.16Å; I186-A348 HydrophobicContact CG1-CB 4.07Å; I186-Y352 HydrophobicContact CD1-CD2 3.91Å; I186-Y352 HydrophobicContact CD1-CG 4.05Å |
| 187 | S | 93.4 | Very high | 80.4 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.7 | -27.3 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | S183 G184 Y185 R191 | S183-S187 WeakPolarHBondContact O-CB 3.41Å; S183-S187 PolarHBondContact O-N 3.26Å; S183-S187 PolarHBondContact O-OG 3.09Å; G184-S187 WeakPolarHBondContact O-CB 3.44Å; G184-S187 PolarHBondContact O-N 3.1Å; Y185-S187 VanDerWaalsContact C-N 3.28Å; Y185-S187 PolarHBondContact O-N 3.31Å; S187-R191 WeakPolarHBondContact O-CB 3.26Å; S187-R191 WeakPolarHBondContact O-CD 3.41Å; S187-R191 WeakPolarHBondContact O-CG 3.3Å; S187-R191 PolarHBondContact O-N 3.34Å |
| 188 | L | 94.6 | Very high | 80.7 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -80 | -41.2 | 172.5 | -68.4 | 166.6 | 0 | 0 | 0 | 111.6 | G184 Y185 I186 L190 R191 A192 P235 | G184-L188 WeakPolarHBondContact O-CG 3.47Å; G184-L188 PolarHBondContact O-N 3.01Å; G184-L188 VanDerWaalsContact O-N 3.11Å; Y185-L188 WeakPolarHBondContact O-CA 3.17Å; Y185-L188 WeakPolarHBondContact O-CB 3.26Å; Y185-L188 PolarHBondContact O-N 2.87Å; I186-L188 PolarHBondContact O-N 3.37Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 2.86Å; L188-R191 PolarHBondContact O-N 3.45Å; L188-R191 VanDerWaalsContact O-N 3.13Å; L188-A192 PolarHBondContact O-N 3.04Å; L188-A192 VanDerWaalsContact O-N 3.15Å; L188-P235 HydrophobicContact CB-CG 3.54Å; L188-P235 HydrophobicContact CD1-CG 3.77Å; L188-P235 HydrophobicContact CG-CG 4.25Å |
| 189 | L | 96.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.9 | -63.5 | -178.5 | 0 | 0 | 0 | 112.4 | Y185 I186 R191 A192 W230 I234 A321 | Y185-L189 HydrophobicContact CD1-CD1 4.23Å; Y185-L189 HydrophobicContact CE1-CD1 3.71Å; Y185-L189 HydrophobicContact CE1-CG 4.23Å; Y185-L189 HydrophobicContact CE2-CD2 3.99Å; Y185-L189 HydrophobicContact CE2-CG 4.22Å; Y185-L189 PolarHBondContact O-N 3.24Å; I186-L189 PolarHBondContact O-N 2.94Å; I186-L189 VanDerWaalsContact O-N 3.15Å; L189-R191 VanDerWaalsContact C-N 3.33Å; L189-A192 PolarHBondContact O-N 2.85Å; L189-W230 HydrophobicContact CD2-CZ2 4.15Å; L189-W230 PolarHBondContact O-NE1 3.19Å; L189-I234 HydrophobicContact CD2-CB 3.78Å; L189-I234 HydrophobicContact CD2-CD1 4.48Å; L189-I234 HydrophobicContact CD2-CG2 3.53Å; L189-A321 HydrophobicContact CD1-CB 4.09Å; L189-A321 HydrophobicContact CD2-CB 4.39Å |
| 190 | L | 93.3 | Very high | 80.5 | Confident | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.3 | -31 | 175.6 | -74.5 | 169.7 | 0 | 0 | 0 | 113.1 | I186 L188 A192 A314 | I186-L190 HydrophobicContact CG2-CD1 3.98Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CG 3.37Å; I186-L190 PolarHBondContact O-N 2.91Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 2.86Å; L190-A192 VanDerWaalsContact C-N 3.33Å; L190-A314 HydrophobicContact CD1-CB 4.2Å; L190-A314 HydrophobicContact CD2-CB 4.49Å |
| 191 | R | 92.4 | Very high | 79.6 | Confident | 212 Ų | 212 | 57.1 Ų | 57.1 | 80% | 0.8 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -80.8 | -13.1 | 178.5 | -76.3 | 175.6 | 65.8 | 83.3 | 9.2 | 113.6 | S187 L188 L189 | S187-R191 WeakPolarHBondContact O-CB 3.26Å; S187-R191 WeakPolarHBondContact O-CD 3.41Å; S187-R191 WeakPolarHBondContact O-CG 3.3Å; S187-R191 PolarHBondContact O-N 3.34Å; L188-R191 PolarHBondContact O-N 3.45Å; L188-R191 VanDerWaalsContact O-N 3.13Å; L189-R191 VanDerWaalsContact C-N 3.33Å |
| 192 | A | 93.9 | Very high | 78.3 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L188 L189 L190 P194 W230 N233 I234 | L188-A192 PolarHBondContact O-N 3.04Å; L188-A192 VanDerWaalsContact O-N 3.15Å; L189-A192 PolarHBondContact O-N 2.85Å; L190-A192 VanDerWaalsContact C-N 3.33Å; A192-P194 VanDerWaalsContact O-CD 3.26Å; A192-P194 WeakPolarHBondContact O-CD 3.31Å; A192-W230 HydrophobicContact CB-CG 4.47Å; A192-N233 HydrophobicContact CB-CB 3.81Å; A192-I234 HydrophobicContact CB-CB 4.47Å; A192-I234 HydrophobicContact CB-CG2 3.6Å |
| 193 | E | 89.6 | Confident | 76.9 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | trans | -68.9 | 111.6 | 179 | -59.9 | -78.2 | -175 | 0 | 0 | 109.8 | Y195 W230 S317 K320 | E193-Y195 VanDerWaalsContact C-N 3.26Å; E193-Y195 PolarHBondContact O-N 2.73Å; E193-W230 VanDerWaalsContact CD-CD1 3.45Å; E193-W230 PolarHBondContact OE1-NE1 3.09Å; E193-S317 PolarHBondContact OE1-OG 3.36Å; E193-K320 IonicContact OE1-NZ 3.62Å; E193-K320 PolarHBondContact OE1-NZ 3.35Å; E193-K320 IonicContact OE2-NZ 3.15Å; E193-K320 PolarHBondContact OE2-NZ 3.49Å | ||
| 194 | P | 81.9 | Confident | 75.1 | Confident | 40 Ų | 40 | 61.1 Ų | 61.1 | 26% | 0.26 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -73.1 | -17.5 | -169.3 | 28.7 | -35 | 0 | 0 | 0 | 113.5 | A192 S226 E229 | A192-P194 VanDerWaalsContact O-CD 3.26Å; A192-P194 WeakPolarHBondContact O-CD 3.31Å; P194-S226 WeakPolarHBondContact CG-OG 3.48Å; P194-E229 HydrophobicContact CB-CG 4.2Å; P194-E229 WeakPolarHBondContact CB-OE2 3.28Å; P194-E229 HydrophobicContact CG-CB 4.32Å; P194-E229 HydrophobicContact CG-CG 4.42Å |
| 195 | Y | 72.8 | Confident | 72.9 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -131.5 | 125.5 | 179.1 | -53 | -63.1 | 0 | 0 | 0 | 111 | E193 T197 Y200 F225 | E193-Y195 VanDerWaalsContact C-N 3.26Å; E193-Y195 PolarHBondContact O-N 2.73Å; Y195-T197 PolarHBondContact O-N 2.89Å; Y195-Y200 WeakPolarHBondContact CD2-OH 3.44Å; Y195-F225 HydrophobicContact CE2-CD1 4.41Å |
| 196 | P | 64.2 | Low | 70.7 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | trans | -60.1 | 134.4 | 174 | -24 | 34 | 0 | 0 | 0 | 111.5 | S198 R199 | P196-S198 PolarHBondContact O-N 3.43Å; P196-R199 WeakPolarHBondContact O-CB 3.44Å; P196-R199 PolarHBondContact O-N 3.47Å | ||
| 197 | T | 60.3 | Low | 68.3 | Low | 60 Ų | 60 | 76.9 Ų | 76.9 | 37% | 0.368 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.9 | -176 | -34 | 0 | 0 | 0 | 0 | 113.5 | Y195 R199 Y200 G201 Q263 | Y195-T197 PolarHBondContact O-N 2.89Å; T197-R199 PolarHBondContact O-N 2.97Å; T197-Y200 PolarHBondContact O-N 2.88Å; T197-G201 PolarHBondContact O-N 3.27Å; T197-G201 VanDerWaalsContact O-N 3.15Å; T197-Q263 HydrophobicContact CG2-CG 4.16Å; T197-Q263 WeakPolarHBondContact CG2-O 3.17Å |
| 198 | S | 55.5 | Low | 66.1 | Low | 81 Ų | 81 | 81.8 Ų | 81.8 | 57% | 0.566 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.9 | -26.1 | 174.9 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | P196 Y200 S202 | P196-S198 PolarHBondContact O-N 3.43Å; S198-Y200 VanDerWaalsContact C-N 3.26Å; S198-Y200 PolarHBondContact O-N 3.42Å; S198-S202 WeakPolarHBondContact O-CB 3.33Å; S198-S202 PolarHBondContact O-N 3.41Å; S198-S202 PolarHBondContact O-OG 3.2Å; S198-S202 VanDerWaalsContact O-OG 3.12Å |
| 199 | R | 54.3 | Low | 64.1 | Low | 180 Ų | 180 | 84.6 Ų | 84.6 | 68% | 0.679 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.6 | -29.5 | 173.2 | -78.6 | -71.6 | -171.8 | 174.4 | -0.1 | 112.7 | P196 T197 | P196-R199 WeakPolarHBondContact O-CB 3.44Å; P196-R199 PolarHBondContact O-N 3.47Å; T197-R199 PolarHBondContact O-N 2.97Å |
| 200 | Y | 54.8 | Low | 62.3 | Low | 10 Ų | 10 | 91.4 Ų | 91.4 | 4% | 0.039 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -85.2 | -47.4 | 177.3 | -62.1 | -70.5 | 0 | 0 | 0 | 111.2 | Y195 T197 S198 S202 Q203 C204 L219 C264 | Y195-Y200 WeakPolarHBondContact CD2-OH 3.44Å; T197-Y200 PolarHBondContact O-N 2.88Å; S198-Y200 VanDerWaalsContact C-N 3.26Å; S198-Y200 PolarHBondContact O-N 3.42Å; Y200-S202 VanDerWaalsContact C-N 3.33Å; Y200-S202 PolarHBondContact O-N 3.09Å; Y200-Q203 PolarHBondContact O-N 3.49Å; Y200-C204 PolarHBondContact O-N 3.32Å; Y200-L219 HydrophobicContact CD1-CD1 3.32Å; Y200-L219 HydrophobicContact CE1-CD1 3.55Å; Y200-L219 HydrophobicContact CG-CD1 4.41Å; Y200-C264 HydrophobicContact CD2-CB 4.46Å; Y200-C264 WeakPolarHBondContact CD2-SG 3.31Å; Y200-C264 HydrophobicContact CG-CB 4.14Å |
| 201 | G | 49.4 | Very low | 61.1 | Low | 24 Ų | 24 | 90 Ų | 90 | 25% | 0.247 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -54.3 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T197 Q203 C204 M205 | T197-G201 PolarHBondContact O-N 3.27Å; T197-G201 VanDerWaalsContact O-N 3.15Å; G201-Q203 PolarHBondContact O-N 2.93Å; G201-Q203 VanDerWaalsContact O-N 3.12Å; G201-C204 PolarHBondContact O-N 3.07Å; G201-C204 PolarHBondContact O-SG 3.36Å; G201-M205 VanDerWaalsContact O-CB 3.31Å; G201-M205 WeakPolarHBondContact O-CB 3.47Å; G201-M205 WeakPolarHBondContact O-CG 3.3Å; G201-M205 PolarHBondContact O-N 2.91Å |
| 202 | S | 49.5 | Very low | 60.1 | Low | 91 Ų | 91 | 81.8 Ų | 81.8 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.1 | -13 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 114.8 | S198 Y200 | S198-S202 WeakPolarHBondContact O-CB 3.33Å; S198-S202 PolarHBondContact O-N 3.41Å; S198-S202 PolarHBondContact O-OG 3.2Å; S198-S202 VanDerWaalsContact O-OG 3.12Å; Y200-S202 VanDerWaalsContact C-N 3.33Å; Y200-S202 PolarHBondContact O-N 3.09Å |
| 203 | Q | 51 | Low | 59.3 | Low | 110 Ų | 110 | 82.9 Ų | 82.9 | 51% | 0.514 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -94.9 | -28 | 174.5 | -61.4 | -167.8 | -76.4 | 0 | 0 | 112.6 | Y200 G201 | Y200-Q203 PolarHBondContact O-N 3.49Å; G201-Q203 PolarHBondContact O-N 2.93Å; G201-Q203 VanDerWaalsContact O-N 3.12Å |
| 204 | C | 49.5 | Very low | 58.7 | Low | 29 Ų | 29 | 87 Ų | 87 | 20% | 0.196 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -95.2 | -18.3 | 179 | 67.4 | 0 | 0 | 0 | 0 | 115 | Y200 G201 Q206 | Y200-C204 PolarHBondContact O-N 3.32Å; G201-C204 PolarHBondContact O-N 3.07Å; G201-C204 PolarHBondContact O-SG 3.36Å; C204-Q206 VanDerWaalsContact C-N 3.3Å; C204-Q206 PolarHBondContact O-N 3.21Å |
| 205 | M | 44.4 | Very low | 58.8 | Low | 131 Ų | 131 | 89.4 Ų | 89.4 | 65% | 0.645 | 49% | 0.486 | S | S | * | . | trans | -85.8 | 31 | -175 | -67.3 | -71.5 | 103.4 | 0 | 0 | 115.3 | G201 P207 | G201-M205 VanDerWaalsContact O-CB 3.31Å; G201-M205 WeakPolarHBondContact O-CB 3.47Å; G201-M205 WeakPolarHBondContact O-CG 3.3Å; G201-M205 PolarHBondContact O-N 2.91Å; M205-P207 WeakPolarHBondContact O-CD 3.44Å | ||
| 206 | Q | 48.7 | Very low | 59.3 | Low | 125 Ų | 125 | 85.9 Ų | 85.9 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | trans | -101.2 | 105.1 | 175.6 | -72.8 | -63 | -23 | 0 | 0 | 110.9 | C204 N208 N209 | C204-Q206 VanDerWaalsContact C-N 3.3Å; C204-Q206 PolarHBondContact O-N 3.21Å; Q206-N208 VanDerWaalsContact C-N 3.27Å; Q206-N208 PolarHBondContact O-N 3.27Å; Q206-N209 HydrophobicContact CB-CB 4.48Å; Q206-N209 PolarHBondContact O-N 3.44Å | ||
| 207 | P | 44.5 | Very low | 60.4 | Low | 121 Ų | 121 | 82 Ų | 82 | 79% | 0.786 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.5 | -163.1 | -27.2 | 35.8 | 0 | 0 | 0 | 116.5 | M205 | M205-P207 WeakPolarHBondContact O-CD 3.44Š|
| 208 | N | 47.8 | Very low | 61.7 | Low | 160 Ų | 160 | 83.3 Ų | 83.3 | 86% | 0.856 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -4.2 | -174.2 | -73.9 | 3.5 | 0 | 0 | 0 | 114.6 | Q206 | Q206-N208 VanDerWaalsContact C-N 3.27Å; Q206-N208 PolarHBondContact O-N 3.27Å |
| 209 | N | 51.6 | Low | 63.2 | Low | 134 Ų | 134 | 80.1 Ų | 80.1 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | trans | -106.7 | 101.9 | 178.9 | -95.6 | 2.8 | 0 | 0 | 0 | 110.6 | Q206 M211 | Q206-N209 HydrophobicContact CB-CB 4.48Å; Q206-N209 PolarHBondContact O-N 3.44Å; N209-M211 PolarHBondContact O-N 2.94Å; N209-M211 VanDerWaalsContact O-N 3.07Å | ||
| 210 | I | 59 | Low | 64.9 | Low | 142 Ų | 142 | 71.5 Ų | 71.5 | 73% | 0.728 | 39% | 0.393 | S | S | * | . | trans | -58.7 | 114.6 | 162.4 | -61.5 | 174.8 | 0 | 0 | 0 | 106.9 | G212 P272 | I210-G212 PolarHBondContact O-N 3.06Å; I210-G212 VanDerWaalsContact O-N 3.14Å; I210-P272 HydrophobicContact CG2-CG 4.1Å | ||
| 211 | M | 67.6 | Low | 66.6 | Low | 32 Ų | 32 | 72.8 Ų | 72.8 | 16% | 0.158 | 41% | 0.405 | C | S | . | . | trans | -64.2 | 119 | -176 | -168.7 | 158.7 | 86.2 | 0 | 0 | 109.8 | N209 N215 I216 L219 P267 | N209-M211 PolarHBondContact O-N 2.94Å; N209-M211 VanDerWaalsContact O-N 3.07Å; M211-N215 HydrophobicContact CG-CB 3.65Å; M211-N215 HydrophobicContact SD-CB 4.15Å; M211-I216 HydrophobicContact CB-CG1 4.32Å; M211-I216 HydrophobicContact CE-CB 4.43Å; M211-I216 HydrophobicContact CE-CG1 3.72Å; M211-I216 HydrophobicContact CG-CG1 4.23Å; M211-I216 WeakPolarHBondContact O-CD1 3.25Å; M211-L219 HydrophobicContact CE-CB 4.39Å; M211-L219 HydrophobicContact CE-CD2 3.72Å; M211-P267 HydrophobicContact CB-CG 4.35Å; M211-P267 HydrophobicContact CE-CG 3.68Å | ||
| 212 | G | 71.9 | Confident | 68.6 | Low | 40 Ų | 40 | 74.4 Ų | 74.4 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | trans | -56.7 | 144 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I210 E214 N215 I216 | I210-G212 PolarHBondContact O-N 3.06Å; I210-G212 VanDerWaalsContact O-N 3.14Å; G212-E214 PolarHBondContact O-N 3.02Å; G212-E214 VanDerWaalsContact O-N 3.07Å; G212-N215 WeakPolarHBondContact O-CB 3.47Å; G212-N215 PolarHBondContact O-N 2.74Å; G212-I216 PolarHBondContact O-N 2.94Å | ||
| 213 | I | 77 | Confident | 70.6 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 15% | 0.154 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -29.5 | -167.6 | -173.8 | 56.5 | 0 | 0 | 0 | 113.7 | N215 I216 C217 P272 L273 A276 | I213-N215 VanDerWaalsContact C-N 3.34Å; I213-N215 PolarHBondContact O-N 2.76Å; I213-I216 HydrophobicContact CD1-CB 4.09Å; I213-I216 HydrophobicContact CD1-CD1 4.15Å; I213-I216 HydrophobicContact CD1-CG2 4.35Å; I213-I216 WeakPolarHBondContact O-CB 3.34Å; I213-I216 PolarHBondContact O-N 2.73Å; I213-I216 VanDerWaalsContact O-N 3.13Å; I213-C217 PolarHBondContact O-N 3.04Å; I213-P272 HydrophobicContact CD1-CB 4.49Å; I213-P272 WeakPolarHBondContact CD1-O 3.48Å; I213-L273 HydrophobicContact CD1-CD2 4.3Å; I213-A276 HydrophobicContact CD1-CB 3.38Å; I213-A276 HydrophobicContact CG1-CB 3.39Å |
| 214 | E | 77 | Confident | 72.6 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 59% | 0.589 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68 | -35.7 | 178.4 | -55.4 | -172.6 | 154.5 | 0 | 0 | 111.4 | G212 I216 C217 E218 R389 | G212-E214 PolarHBondContact O-N 3.02Å; G212-E214 VanDerWaalsContact O-N 3.07Å; E214-I216 VanDerWaalsContact C-N 3.32Å; E214-I216 PolarHBondContact O-N 2.96Å; E214-C217 PolarHBondContact O-N 2.66Å; E214-E218 PolarHBondContact O-N 3.24Å; E214-R389 IonicContact OE1-CZ 3.14Å; E214-R389 IonicContact OE1-NH1 2.66Å; E214-R389 IonicContact OE1-NH2 2.7Å; E214-R389 PolarHBondContact OE1-NH2 3.44Å |
| 215 | N | 83.1 | Confident | 74.6 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.2 | -29.9 | 172.3 | -56.9 | -3.9 | 0 | 0 | 0 | 111.8 | M211 G212 I213 L219 | M211-N215 HydrophobicContact CG-CB 3.65Å; M211-N215 HydrophobicContact SD-CB 4.15Å; G212-N215 WeakPolarHBondContact O-CB 3.47Å; G212-N215 PolarHBondContact O-N 2.74Å; I213-N215 VanDerWaalsContact C-N 3.34Å; I213-N215 PolarHBondContact O-N 2.76Å; N215-L219 VanDerWaalsContact O-CB 3.25Å; N215-L219 WeakPolarHBondContact O-CB 3.49Å; N215-L219 PolarHBondContact O-N 2.95Å |
| 216 | I | 84.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.4 | -40.7 | 174.3 | -59.6 | 175.5 | 0 | 0 | 0 | 110.2 | M211 G212 I213 E214 L219 A220 M266 P267 P272 F386 | M211-I216 HydrophobicContact CB-CG1 4.32Å; M211-I216 HydrophobicContact CE-CB 4.43Å; M211-I216 HydrophobicContact CE-CG1 3.72Å; M211-I216 HydrophobicContact CG-CG1 4.23Å; M211-I216 WeakPolarHBondContact O-CD1 3.25Å; G212-I216 PolarHBondContact O-N 2.94Å; I213-I216 HydrophobicContact CD1-CB 4.09Å; I213-I216 HydrophobicContact CD1-CD1 4.15Å; I213-I216 HydrophobicContact CD1-CG2 4.35Å; I213-I216 WeakPolarHBondContact O-CB 3.34Å; I213-I216 PolarHBondContact O-N 2.73Å; I213-I216 VanDerWaalsContact O-N 3.13Å; E214-I216 VanDerWaalsContact C-N 3.32Å; E214-I216 PolarHBondContact O-N 2.96Å; I216-L219 PolarHBondContact O-N 3.08Å; I216-A220 WeakPolarHBondContact O-CB 3.4Å; I216-A220 PolarHBondContact O-N 3Å; I216-M266 HydrophobicContact CG2-CE 3.66Å; I216-P267 HydrophobicContact CD1-CG 4.47Å; I216-P267 HydrophobicContact CG1-CG 4.37Å; I216-P272 HydrophobicContact CD1-CB 4.29Å; I216-F386 HydrophobicContact CG2-CD1 4.13Å; I216-F386 HydrophobicContact CG2-CE1 3.76Å |
| 217 | C | 86.4 | Confident | 79 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 172.2 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | I213 E214 A220 A221 F386 L390 | I213-C217 PolarHBondContact O-N 3.04Å; E214-C217 PolarHBondContact O-N 2.66Å; C217-A220 WeakPolarHBondContact O-CB 3.5Å; C217-A220 PolarHBondContact O-N 3.32Å; C217-A221 PolarHBondContact O-N 3.39Å; C217-F386 PolarHBondContact SG-O 3.17Å; C217-F386 VanDerWaalsContact SG-O 3.4Å; C217-L390 HydrophobicContact CB-CD1 4.13Å; C217-L390 HydrophobicContact CB-CD2 4.44Å; C217-L390 HydrophobicContact CB-CG 4.36Å |
| 218 | E | 87.4 | Confident | 81.4 | Confident | 89 Ų | 89 | 50.2 Ų | 50.2 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 173.4 | -167.2 | -149.4 | 117 | 0 | 0 | 111.3 | E214 A220 A221 R222 | E214-E218 PolarHBondContact O-N 3.24Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 2.93Å; E218-A221 PolarHBondContact O-N 2.78Å; E218-R222 WeakPolarHBondContact O-CB 3.33Å; E218-R222 WeakPolarHBondContact O-CG 3.39Å; E218-R222 PolarHBondContact O-N 3.1Å; E218-R222 WeakPolarHBondContact OE1-CD 3.17Å; E218-R222 IonicContact OE1-CZ 3.17Å; E218-R222 IonicContact OE1-NE 3.74Å; E218-R222 IonicContact OE1-NH1 2.78Å; E218-R222 PolarHBondContact OE1-NH1 3.48Å |
| 219 | L | 87.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 174.3 | 173.5 | 58.5 | 0 | 0 | 0 | 111.4 | Y200 M211 N215 I216 R222 M223 M266 | Y200-L219 HydrophobicContact CD1-CD1 3.32Å; Y200-L219 HydrophobicContact CE1-CD1 3.55Å; Y200-L219 HydrophobicContact CG-CD1 4.41Å; M211-L219 HydrophobicContact CE-CB 4.39Å; M211-L219 HydrophobicContact CE-CD2 3.72Å; N215-L219 VanDerWaalsContact O-CB 3.25Å; N215-L219 WeakPolarHBondContact O-CB 3.49Å; N215-L219 PolarHBondContact O-N 2.95Å; I216-L219 PolarHBondContact O-N 3.08Å; L219-R222 PolarHBondContact O-N 3.36Å; L219-M223 HydrophobicContact CD1-CG 4.13Å; L219-M223 HydrophobicContact CD1-SD 3.84Å; L219-M223 HydrophobicContact CD2-SD 4.48Å; L219-M223 HydrophobicContact CG-SD 3.8Å; L219-M223 WeakPolarHBondContact O-CB 3.32Å; L219-M223 WeakPolarHBondContact O-CG 3.24Å; L219-M223 PolarHBondContact O-N 3.13Å; L219-M266 HydrophobicContact CD2-CG 4.02Å |
| 220 | A | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I216 C217 E218 R222 M223 L224 F257 M266 F386 F387 | I216-A220 WeakPolarHBondContact O-CB 3.4Å; I216-A220 PolarHBondContact O-N 3Å; C217-A220 WeakPolarHBondContact O-CB 3.5Å; C217-A220 PolarHBondContact O-N 3.32Å; E218-A220 VanDerWaalsContact C-N 3.35Å; E218-A220 PolarHBondContact O-N 2.93Å; A220-R222 VanDerWaalsContact C-N 3.35Å; A220-R222 PolarHBondContact O-N 3.06Å; A220-M223 PolarHBondContact O-N 2.96Å; A220-M223 VanDerWaalsContact O-N 3.16Å; A220-L224 PolarHBondContact O-N 3.3Å; A220-F257 HydrophobicContact CB-CE2 3.82Å; A220-F257 HydrophobicContact CB-CZ 3.73Å; A220-M266 HydrophobicContact CB-CE 3.95Å; A220-F386 HydrophobicContact CB-CB 3.54Å; A220-F386 HydrophobicContact CB-CD1 3.91Å; A220-F386 HydrophobicContact CB-CD2 4.42Å; A220-F386 HydrophobicContact CB-CG 3.69Å; A220-F387 HydrophobicContact CB-CE2 4.4Å; A220-F387 HydrophobicContact CB-CZ 4.12Å |
| 221 | A | 90.7 | Very high | 87.6 | Confident | 36 Ų | 36 | 32.7 Ų | 32.7 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | C217 E218 M223 L224 F225 F387 L390 | C217-A221 PolarHBondContact O-N 3.39Å; E218-A221 PolarHBondContact O-N 2.78Å; A221-M223 VanDerWaalsContact C-N 3.33Å; A221-M223 PolarHBondContact O-N 3.34Å; A221-L224 PolarHBondContact O-N 3.47Å; A221-F225 WeakPolarHBondContact O-CB 3.26Å; A221-F225 PolarHBondContact O-N 3.19Å; A221-F387 HydrophobicContact CB-CE1 4.44Å; A221-L390 HydrophobicContact CB-CD1 3.86Å |
| 222 | R | 89.9 | Confident | 88.9 | Confident | 59 Ų | 59 | 36.2 Ų | 36.2 | 22% | 0.223 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -33.4 | 174.7 | -73.5 | 170.7 | 56 | -157.3 | -12.6 | 112.6 | E218 L219 A220 S226 | E218-R222 WeakPolarHBondContact O-CB 3.33Å; E218-R222 WeakPolarHBondContact O-CG 3.39Å; E218-R222 PolarHBondContact O-N 3.1Å; E218-R222 WeakPolarHBondContact OE1-CD 3.17Å; E218-R222 IonicContact OE1-CZ 3.17Å; E218-R222 IonicContact OE1-NE 3.74Å; E218-R222 IonicContact OE1-NH1 2.78Å; E218-R222 PolarHBondContact OE1-NH1 3.48Å; L219-R222 PolarHBondContact O-N 3.36Å; A220-R222 VanDerWaalsContact C-N 3.35Å; A220-R222 PolarHBondContact O-N 3.06Å; R222-S226 WeakPolarHBondContact O-CB 3.4Å; R222-S226 PolarHBondContact O-N 3.36Å |
| 223 | M | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.2 | -36.1 | 175.5 | -78.7 | 167 | 33.2 | 0 | 0 | 113.3 | L219 A220 A221 A227 F257 N260 A261 C264 M266 | L219-M223 HydrophobicContact CD1-CG 4.13Å; L219-M223 HydrophobicContact CD1-SD 3.84Å; L219-M223 HydrophobicContact CD2-SD 4.48Å; L219-M223 HydrophobicContact CG-SD 3.8Å; L219-M223 WeakPolarHBondContact O-CB 3.32Å; L219-M223 WeakPolarHBondContact O-CG 3.24Å; L219-M223 PolarHBondContact O-N 3.13Å; A220-M223 PolarHBondContact O-N 2.96Å; A220-M223 VanDerWaalsContact O-N 3.16Å; A221-M223 VanDerWaalsContact C-N 3.33Å; A221-M223 PolarHBondContact O-N 3.34Å; M223-A227 PolarHBondContact O-N 3.38Å; M223-A227 VanDerWaalsContact O-N 3.1Å; M223-F257 HydrophobicContact CB-CD2 4.45Å; M223-F257 HydrophobicContact CB-CE2 4.28Å; M223-F257 HydrophobicContact CE-CD2 4.21Å; M223-F257 HydrophobicContact CE-CE1 4.16Å; M223-F257 HydrophobicContact CE-CE2 3.83Å; M223-F257 HydrophobicContact CE-CZ 3.8Å; M223-N260 HydrophobicContact CB-CB 4.28Å; M223-N260 HydrophobicContact CE-CB 4.21Å; M223-N260 HydrophobicContact CG-CB 4.33Å; M223-N260 PolarHBondContact O-ND2 2.97Å; M223-A261 VanDerWaalsContact CE-CA 3.45Å; M223-A261 HydrophobicContact CE-CB 3.67Å; M223-C264 HydrophobicContact SD-CB 4.2Å; M223-M266 HydrophobicContact CE-SD 3.7Å; M223-M266 HydrophobicContact SD-SD 4.12Å |
| 224 | L | 92.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -50.6 | 172.7 | 173.6 | 65.7 | 0 | 0 | 0 | 110.6 | A220 A221 S226 A227 V228 W253 F387 I396 | A220-L224 PolarHBondContact O-N 3.3Å; A221-L224 PolarHBondContact O-N 3.47Å; L224-S226 VanDerWaalsContact C-N 3.29Å; L224-S226 PolarHBondContact O-N 2.96Å; L224-A227 WeakPolarHBondContact O-CB 3.13Å; L224-A227 PolarHBondContact O-N 3.32Å; L224-V228 PolarHBondContact O-N 2.91Å; L224-W253 HydrophobicContact CD1-CB 4.5Å; L224-W253 HydrophobicContact CD1-CE3 3.97Å; L224-F387 HydrophobicContact CB-CE1 4.04Å; L224-F387 HydrophobicContact CB-CZ 3.79Å; L224-F387 HydrophobicContact CD2-CD1 4.24Å; L224-F387 HydrophobicContact CD2-CE1 3.52Å; L224-F387 HydrophobicContact CD2-CZ 3.81Å; L224-F387 HydrophobicContact CG-CE1 4.43Å; L224-F387 HydrophobicContact CG-CZ 4.39Å; L224-I396 HydrophobicContact CD1-CG2 3.98Å; L224-I396 HydrophobicContact CD2-CD1 3.91Å; L224-I396 HydrophobicContact CD2-CG2 3.78Å |
| 225 | F | 91.5 | Very high | 91.7 | Very high | 78 Ų | 78 | 32.8 Ų | 32.8 | 34% | 0.342 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58 | -43.5 | 175.5 | -178.8 | -99.9 | 0 | 0 | 0 | 111.3 | Y195 A221 A227 V228 E229 M403 | Y195-F225 HydrophobicContact CE2-CD1 4.41Å; A221-F225 WeakPolarHBondContact O-CB 3.26Å; A221-F225 PolarHBondContact O-N 3.19Å; F225-A227 VanDerWaalsContact C-N 3.26Å; F225-A227 PolarHBondContact O-N 2.89Å; F225-V228 PolarHBondContact O-N 3.37Å; F225-E229 HydrophobicContact CE1-CB 4.3Å; F225-E229 VanDerWaalsContact CE1-OE2 3.25Å; F225-E229 WeakPolarHBondContact CE1-OE2 3.37Å; F225-E229 HydrophobicContact CZ-CB 4.43Å; F225-E229 WeakPolarHBondContact O-CB 3.47Å; F225-E229 PolarHBondContact O-N 3.02Å; F225-M403 HydrophobicContact CD2-SD 4.22Å |
| 226 | S | 91.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.7 | -28 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 113.8 | P194 R222 L224 W230 | P194-S226 WeakPolarHBondContact CG-OG 3.48Å; R222-S226 WeakPolarHBondContact O-CB 3.4Å; R222-S226 PolarHBondContact O-N 3.36Å; L224-S226 VanDerWaalsContact C-N 3.29Å; L224-S226 PolarHBondContact O-N 2.96Å; S226-W230 WeakPolarHBondContact O-CB 3.26Å; S226-W230 PolarHBondContact O-N 2.84Å |
| 227 | A | 94.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.7 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M223 L224 F225 A231 L256 | M223-A227 PolarHBondContact O-N 3.38Å; M223-A227 VanDerWaalsContact O-N 3.1Å; L224-A227 WeakPolarHBondContact O-CB 3.13Å; L224-A227 PolarHBondContact O-N 3.32Å; F225-A227 VanDerWaalsContact C-N 3.26Å; F225-A227 PolarHBondContact O-N 2.89Å; A227-A231 WeakPolarHBondContact O-CB 3.44Å; A227-A231 PolarHBondContact O-N 3.46Å; A227-L256 HydrophobicContact CB-CB 4.22Å |
| 228 | V | 94.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.2 | -44.8 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 111 | L224 F225 A231 R232 L249 I400 M403 L404 | L224-V228 PolarHBondContact O-N 2.91Å; F225-V228 PolarHBondContact O-N 3.37Å; V228-A231 PolarHBondContact O-N 2.94Å; V228-R232 WeakPolarHBondContact O-CG 3.38Å; V228-R232 PolarHBondContact O-N 2.78Å; V228-L249 HydrophobicContact CG1-CD1 4.4Å; V228-I400 HydrophobicContact CG2-CG1 4.18Å; V228-M403 HydrophobicContact CG1-CB 3.9Å; V228-M403 HydrophobicContact CG2-SD 4.37Å; V228-L404 HydrophobicContact CG1-CD2 4.06Å; V228-L404 HydrophobicContact CG1-CG 4.1Å |
| 229 | E | 93.8 | Very high | 93.6 | Very high | 67 Ų | 67 | 34 Ų | 34 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.1 | -34.4 | 177.6 | -174.4 | 164.4 | -129.4 | 0 | 0 | 112.3 | P194 F225 R232 N233 | P194-E229 HydrophobicContact CB-CG 4.2Å; P194-E229 WeakPolarHBondContact CB-OE2 3.28Å; P194-E229 HydrophobicContact CG-CB 4.32Å; P194-E229 HydrophobicContact CG-CG 4.42Å; F225-E229 HydrophobicContact CE1-CB 4.3Å; F225-E229 VanDerWaalsContact CE1-OE2 3.25Å; F225-E229 WeakPolarHBondContact CE1-OE2 3.37Å; F225-E229 HydrophobicContact CZ-CB 4.43Å; F225-E229 WeakPolarHBondContact O-CB 3.47Å; F225-E229 PolarHBondContact O-N 3.02Å; E229-R232 PolarHBondContact O-N 2.75Å; E229-N233 PolarHBondContact O-N 3.27Å; E229-N233 PolarHBondContact O-ND2 3.08Å |
| 230 | W | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 169.4 | 176.5 | 85.3 | 0 | 0 | 0 | 111.2 | L189 A192 E193 S226 R232 N233 I234 S317 K320 A321 L324 | L189-W230 HydrophobicContact CD2-CZ2 4.15Å; L189-W230 PolarHBondContact O-NE1 3.19Å; A192-W230 HydrophobicContact CB-CG 4.47Å; E193-W230 VanDerWaalsContact CD-CD1 3.45Å; E193-W230 PolarHBondContact OE1-NE1 3.09Å; S226-W230 WeakPolarHBondContact O-CB 3.26Å; S226-W230 PolarHBondContact O-N 2.84Å; W230-R232 VanDerWaalsContact C-N 3.31Å; W230-R232 PolarHBondContact O-N 3.16Å; W230-N233 PolarHBondContact O-N 3.1Å; W230-I234 HydrophobicContact CD2-CG2 3.78Å; W230-I234 HydrophobicContact CE3-CG2 4.22Å; W230-I234 HydrophobicContact CG-CG2 4.32Å; W230-I234 HydrophobicContact CH2-CD1 4Å; W230-I234 HydrophobicContact CH2-CG2 3.95Å; W230-I234 HydrophobicContact CZ2-CG2 3.52Å; W230-I234 HydrophobicContact CZ3-CD1 4Å; W230-I234 HydrophobicContact CZ3-CG2 4.29Å; W230-I234 PolarHBondContact O-N 3.19Å; W230-S317 WeakPolarHBondContact CZ2-O 3.37Å; W230-K320 HydrophobicContact CD2-CD 4.27Å; W230-K320 HydrophobicContact CE3-CB 4.32Å; W230-K320 HydrophobicContact CE3-CD 4.4Å; W230-K320 HydrophobicContact CH2-CB 3.35Å; W230-K320 HydrophobicContact CH2-CD 4.42Å; W230-K320 HydrophobicContact CZ2-CB 3.83Å; W230-K320 HydrophobicContact CZ2-CD 4.23Å; W230-K320 HydrophobicContact CZ3-CB 3.62Å; W230-K320 HydrophobicContact CZ3-CD 4.49Å; W230-A321 HydrophobicContact CH2-CB 4.08Å; W230-L324 HydrophobicContact CE3-CD2 4.49Å; W230-L324 HydrophobicContact CZ3-CD2 3.85Å |
| 231 | A | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A227 V228 N233 I234 F237 L249 L324 | A227-A231 WeakPolarHBondContact O-CB 3.44Å; A227-A231 PolarHBondContact O-N 3.46Å; V228-A231 PolarHBondContact O-N 2.94Å; A231-N233 PolarHBondContact O-N 3.38Å; A231-I234 WeakPolarHBondContact O-CG1 3.49Å; A231-F237 HydrophobicContact CB-CD1 4.21Å; A231-F237 HydrophobicContact CB-CE1 4.06Å; A231-F237 HydrophobicContact CB-CZ 4.31Å; A231-F237 WeakPolarHBondContact O-CD1 3.42Å; A231-F237 WeakPolarHBondContact O-CG 3.49Å; A231-L249 HydrophobicContact CB-CD1 3.96Å; A231-L249 HydrophobicContact CB-CD2 3.95Å; A231-L249 HydrophobicContact CB-CG 4.38Å; A231-L324 HydrophobicContact CB-CD2 3.69Å |
| 232 | R | 95.1 | Very high | 94.4 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.2 | 174 | -71.7 | 179 | 67 | 143.4 | 8.2 | 114.6 | V228 E229 W230 P238 M403 L404 | V228-R232 WeakPolarHBondContact O-CG 3.38Å; V228-R232 PolarHBondContact O-N 2.78Å; E229-R232 PolarHBondContact O-N 2.75Å; W230-R232 VanDerWaalsContact C-N 3.31Å; W230-R232 PolarHBondContact O-N 3.16Å; R232-P238 WeakPolarHBondContact O-CG 3.33Å; R232-M403 PolarHBondContact NH1-O 2.88Å; R232-L404 HydrophobicContact CG-CD2 3.81Å; R232-L404 PolarHBondContact NH1-O 3.29Å |
| 233 | N | 94.9 | Very high | 94.6 | Very high | 99 Ų | 99 | 42.7 Ų | 42.7 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -8.6 | -175.3 | -75.8 | -77.1 | 0 | 0 | 0 | 115 | A192 E229 W230 A231 | A192-N233 HydrophobicContact CB-CB 3.81Å; E229-N233 PolarHBondContact O-N 3.27Å; E229-N233 PolarHBondContact O-ND2 3.08Å; W230-N233 PolarHBondContact O-N 3.1Å; A231-N233 PolarHBondContact O-N 3.38Å |
| 234 | I | 96.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -73.8 | 159.1 | 173.3 | 59.4 | 166.8 | 0 | 0 | 0 | 112.3 | L189 A192 W230 A231 F237 P238 L324 F325 | L189-I234 HydrophobicContact CD2-CB 3.78Å; L189-I234 HydrophobicContact CD2-CD1 4.48Å; L189-I234 HydrophobicContact CD2-CG2 3.53Å; A192-I234 HydrophobicContact CB-CB 4.47Å; A192-I234 HydrophobicContact CB-CG2 3.6Å; W230-I234 HydrophobicContact CD2-CG2 3.78Å; W230-I234 HydrophobicContact CE3-CG2 4.22Å; W230-I234 HydrophobicContact CG-CG2 4.32Å; W230-I234 HydrophobicContact CH2-CD1 4Å; W230-I234 HydrophobicContact CH2-CG2 3.95Å; W230-I234 HydrophobicContact CZ2-CG2 3.52Å; W230-I234 HydrophobicContact CZ3-CD1 4Å; W230-I234 HydrophobicContact CZ3-CG2 4.29Å; W230-I234 PolarHBondContact O-N 3.19Å; A231-I234 WeakPolarHBondContact O-CG1 3.49Å; I234-F237 HydrophobicContact CD1-CB 3.98Å; I234-F237 HydrophobicContact CG1-CB 3.76Å; I234-P238 WeakPolarHBondContact O-CD 3.43Å; I234-L324 HydrophobicContact CD1-CD2 3.77Å; I234-F325 HydrophobicContact CD1-CE2 3.9Å; I234-F325 HydrophobicContact CD1-CZ 3.68Å |
| 235 | P | 92.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -61.6 | 150.1 | 173.4 | -22.5 | 35.2 | 0 | 0 | 0 | 112.7 | Y185 L188 F237 | Y185-P235 HydrophobicContact CD2-CB 4.36Å; Y185-P235 HydrophobicContact CD2-CG 4.11Å; Y185-P235 HydrophobicContact CE2-CB 4.16Å; Y185-P235 HydrophobicContact CE2-CG 4.13Å; L188-P235 HydrophobicContact CB-CG 3.54Å; L188-P235 HydrophobicContact CD1-CG 3.77Å; L188-P235 HydrophobicContact CG-CG 4.25Å; P235-F237 PolarHBondContact O-N 2.88Å |
| 236 | F | 93.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 69.8 | -36.1 | 175.5 | -41.3 | -67.5 | 0 | 0 | 0 | 116.2 | F168 Y185 D239 L240 L341 K344 | F168-F236 HydrophobicContact CB-CE1 3.86Å; F168-F236 HydrophobicContact CB-CZ 4.11Å; F168-F236 AromaticContact CD2-CE1 3.68Å; F168-F236 HydrophobicContact CD2-CE1 3.68Å; F168-F236 AromaticContact CD2-CZ 4Å; F168-F236 HydrophobicContact CD2-CZ 4Å; F168-F236 HydrophobicContact CG-CE1 4.08Å; F168-F236 HydrophobicContact CG-CZ 4.17Å; Y185-F236 AromaticContact CD2-CE2 3.99Å; Y185-F236 HydrophobicContact CD2-CE2 3.99Å; Y185-F236 HydrophobicContact CE2-CD2 4.07Å; Y185-F236 AromaticContact CE2-CE2 3.74Å; Y185-F236 HydrophobicContact CE2-CE2 3.74Å; F236-D239 WeakPolarHBondContact CA-OD2 3.21Å; F236-D239 WeakPolarHBondContact O-CB 3.34Å; F236-D239 PolarHBondContact O-N 3.48Å; F236-L240 PolarHBondContact O-N 3.42Å; F236-L341 HydrophobicContact CB-CD1 3.69Å; F236-L341 HydrophobicContact CB-CD2 3.66Å; F236-L341 HydrophobicContact CB-CG 4.33Å; F236-L341 HydrophobicContact CD1-CD2 4.24Å; F236-L341 HydrophobicContact CD2-CD2 3.66Å; F236-L341 HydrophobicContact CE2-CD2 4.43Å; F236-L341 HydrophobicContact CG-CD2 3.56Å; F236-K344 HydrophobicContact CD2-CD 4.49Å; F236-K344 HydrophobicContact CE2-CD 3.77Å; F236-K344 HydrophobicContact CZ-CD 4.29Å |
| 237 | F | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -59.7 | -43.4 | -178.4 | -174.4 | -87.7 | 0 | 0 | 0 | 113.7 | A231 I234 P235 D239 L240 Q245 L248 L249 L324 F325 L404 | A231-F237 HydrophobicContact CB-CD1 4.21Å; A231-F237 HydrophobicContact CB-CE1 4.06Å; A231-F237 HydrophobicContact CB-CZ 4.31Å; A231-F237 WeakPolarHBondContact O-CD1 3.42Å; A231-F237 WeakPolarHBondContact O-CG 3.49Å; I234-F237 HydrophobicContact CD1-CB 3.98Å; I234-F237 HydrophobicContact CG1-CB 3.76Å; P235-F237 PolarHBondContact O-N 2.88Å; F237-D239 PolarHBondContact O-N 3.08Å; F237-L240 HydrophobicContact CD2-CD1 4.1Å; F237-L240 WeakPolarHBondContact O-CB 3.36Å; F237-L240 PolarHBondContact O-N 3.37Å; F237-Q245 HydrophobicContact CD1-CG 4.09Å; F237-Q245 HydrophobicContact CE1-CB 3.73Å; F237-Q245 HydrophobicContact CE1-CG 3.64Å; F237-Q245 HydrophobicContact CE2-CB 4.29Å; F237-Q245 HydrophobicContact CE2-CG 4.3Å; F237-Q245 HydrophobicContact CZ-CB 3.52Å; F237-Q245 HydrophobicContact CZ-CG 3.76Å; F237-Q245 WeakPolarHBondContact O-CG 3.35Å; F237-Q245 PolarHBondContact O-NE2 3.21Å; F237-L248 HydrophobicContact CD2-CD1 4.43Å; F237-L248 HydrophobicContact CE2-CB 4.32Å; F237-L248 HydrophobicContact CE2-CD1 4.04Å; F237-L249 HydrophobicContact CE1-CD1 3.99Å; F237-L249 HydrophobicContact CE2-CG 4.43Å; F237-L249 HydrophobicContact CZ-CD1 3.54Å; F237-L249 HydrophobicContact CZ-CG 3.88Å; F237-L324 HydrophobicContact CD2-CD1 4.3Å; F237-L324 HydrophobicContact CD2-CD2 3.79Å; F237-L324 HydrophobicContact CD2-CG 4.07Å; F237-L324 HydrophobicContact CE2-CD1 3.77Å; F237-L324 HydrophobicContact CE2-CD2 4.03Å; F237-L324 HydrophobicContact CE2-CG 4.05Å; F237-L324 HydrophobicContact CG-CD2 4.38Å; F237-L324 HydrophobicContact CZ-CD1 4.47Å; F237-F325 HydrophobicContact CB-CE1 4.03Å; F237-F325 HydrophobicContact CB-CZ 4.06Å; F237-F325 HydrophobicContact CD2-CE1 4.02Å; F237-L404 HydrophobicContact CE1-CD2 4.36Å |
| 238 | P | 96 | Very high | 95.7 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -68.1 | -17.3 | 175.6 | -21.6 | 35.6 | 0 | 0 | 0 | 114.3 | R232 I234 Q245 | R232-P238 WeakPolarHBondContact O-CG 3.33Å; I234-P238 WeakPolarHBondContact O-CD 3.43Å; P238-Q245 PolarHBondContact O-NE2 3.2Å |
| 239 | D | 94.8 | Very high | 95.9 | Very high | 130 Ų | 130 | 41.1 Ų | 41.1 | 70% | 0.695 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -83.3 | -12.8 | 176.9 | -55.3 | -58.4 | 0 | 0 | 0 | 112.1 | F236 F237 | F236-D239 WeakPolarHBondContact CA-OD2 3.21Å; F236-D239 WeakPolarHBondContact O-CB 3.34Å; F236-D239 PolarHBondContact O-N 3.48Å; F237-D239 PolarHBondContact O-N 3.08Å |
| 240 | L | 95.9 | Very high | 96 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -72.9 | 157.7 | 174.9 | -59.7 | 179 | 0 | 0 | 0 | 111.4 | F236 F237 Q245 L248 F325 L341 | F236-L240 PolarHBondContact O-N 3.42Å; F237-L240 HydrophobicContact CD2-CD1 4.1Å; F237-L240 WeakPolarHBondContact O-CB 3.36Å; F237-L240 PolarHBondContact O-N 3.37Å; L240-Q245 HydrophobicContact CB-CG 3.95Å; L240-Q245 PolarHBondContact O-NE2 2.91Å; L240-L248 HydrophobicContact CD1-CD1 3.75Å; L240-F325 HydrophobicContact CD1-CE1 4.23Å; L240-L341 HydrophobicContact CD2-CD1 4.25Å |
| 241 | Q | 95.4 | Very high | 96 | Very high | 119 Ų | 119 | 45.7 Ų | 45.7 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | trans | -61.6 | 143.9 | 172.8 | -59.2 | -162.5 | 43.8 | 0 | 0 | 110.9 | T243 D244 Q245 S333 | Q241-T243 WeakPolarHBondContact CB-OG1 3.46Å; Q241-T243 PolarHBondContact O-N 3.05Å; Q241-D244 HydrophobicContact CB-CB 4.48Å; Q241-D244 WeakPolarHBondContact O-CA 3.31Å; Q241-D244 WeakPolarHBondContact O-CB 3.29Å; Q241-D244 PolarHBondContact O-N 3.37Å; Q241-Q245 PolarHBondContact O-N 3.07Å; Q241-S333 PolarHBondContact NE2-OG 2.95Å | ||
| 242 | I | 94.8 | Very high | 96 | Very high | 75 Ų | 75 | 45.7 Ų | 45.7 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.1 | -28.6 | -178 | -168.3 | 60.7 | 0 | 0 | 0 | 112.7 | Q245 V246 L404 L405 | I242-Q245 HydrophobicContact CD1-CB 4.46Å; I242-V246 WeakPolarHBondContact O-CB 3.5Å; I242-V246 VanDerWaalsContact O-CG2 3.22Å; I242-V246 WeakPolarHBondContact O-CG2 3.26Å; I242-V246 PolarHBondContact O-N 3.14Å; I242-L404 HydrophobicContact CD1-CB 4.31Å; I242-L405 HydrophobicContact CD1-CD2 4.4Å; I242-L405 HydrophobicContact CG1-CD2 3.9Å |
| 243 | T | 95.1 | Very high | 96.1 | Very high | 80 Ų | 80 | 40.9 Ų | 40.9 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 169.8 | 43.9 | 0 | 0 | 0 | 0 | 111.9 | Q241 V246 A247 | Q241-T243 WeakPolarHBondContact CB-OG1 3.46Å; Q241-T243 PolarHBondContact O-N 3.05Å; T243-V246 PolarHBondContact O-N 2.8Å; T243-A247 VanDerWaalsContact O-CB 3.31Å; T243-A247 WeakPolarHBondContact O-CB 3.43Å; T243-A247 PolarHBondContact O-N 2.99Å |
| 244 | D | 97.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.8 | -44 | -178.2 | -61.5 | 31 | 0 | 0 | 0 | 109.8 | Q241 V246 A247 L248 L332 S333 | Q241-D244 HydrophobicContact CB-CB 4.48Å; Q241-D244 WeakPolarHBondContact O-CA 3.31Å; Q241-D244 WeakPolarHBondContact O-CB 3.29Å; Q241-D244 PolarHBondContact O-N 3.37Å; D244-V246 VanDerWaalsContact C-N 3.33Å; D244-V246 PolarHBondContact O-N 3Å; D244-A247 PolarHBondContact O-N 3.49Å; D244-L248 WeakPolarHBondContact O-CB 3.47Å; D244-L248 VanDerWaalsContact O-CG 3.24Å; D244-L248 WeakPolarHBondContact O-CG 3.39Å; D244-L248 PolarHBondContact O-N 3.44Å; D244-L332 HydrophobicContact CB-CD2 3.88Å; D244-S333 WeakPolarHBondContact OD1-CB 3.13Å; D244-S333 PolarHBondContact OD1-N 3.05Å; D244-S333 PolarHBondContact OD1-OG 2.98Å; D244-S333 VanDerWaalsContact OD2-CB 3.29Å; D244-S333 WeakPolarHBondContact OD2-CB 3.19Å; D244-S333 PolarHBondContact OD2-N 3Å; D244-S333 PolarHBondContact OD2-OG 3.36Å |
| 245 | Q | 97.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.4 | -46.5 | 173.7 | -67.2 | -175.6 | 40.5 | 0 | 0 | 111.9 | F237 P238 L240 Q241 I242 L249 | F237-Q245 HydrophobicContact CD1-CG 4.09Å; F237-Q245 HydrophobicContact CE1-CB 3.73Å; F237-Q245 HydrophobicContact CE1-CG 3.64Å; F237-Q245 HydrophobicContact CE2-CB 4.29Å; F237-Q245 HydrophobicContact CE2-CG 4.3Å; F237-Q245 HydrophobicContact CZ-CB 3.52Å; F237-Q245 HydrophobicContact CZ-CG 3.76Å; F237-Q245 WeakPolarHBondContact O-CG 3.35Å; F237-Q245 PolarHBondContact O-NE2 3.21Å; P238-Q245 PolarHBondContact O-NE2 3.2Å; L240-Q245 HydrophobicContact CB-CG 3.95Å; L240-Q245 PolarHBondContact O-NE2 2.91Å; Q241-Q245 PolarHBondContact O-N 3.07Å; I242-Q245 HydrophobicContact CD1-CB 4.46Å; Q245-L249 PolarHBondContact O-N 3.13Å; Q245-L249 VanDerWaalsContact O-N 3.15Å |
| 246 | V | 96.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 11% | 0.109 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.8 | -40.3 | 176.9 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | I242 T243 D244 R250 R401 L404 | I242-V246 WeakPolarHBondContact O-CB 3.5Å; I242-V246 VanDerWaalsContact O-CG2 3.22Å; I242-V246 WeakPolarHBondContact O-CG2 3.26Å; I242-V246 PolarHBondContact O-N 3.14Å; T243-V246 PolarHBondContact O-N 2.8Å; D244-V246 VanDerWaalsContact C-N 3.33Å; D244-V246 PolarHBondContact O-N 3Å; V246-R250 HydrophobicContact CG1-CG 4.26Å; V246-R250 WeakPolarHBondContact O-CB 3.49Å; V246-R250 WeakPolarHBondContact O-CG 3.48Å; V246-R250 PolarHBondContact O-N 2.93Å; V246-R401 HydrophobicContact CG1-CB 4.31Å; V246-R401 HydrophobicContact CG1-CG 4.45Å; V246-R401 HydrophobicContact CG2-CG 4.36Å; V246-L404 HydrophobicContact CB-CD1 4.43Å; V246-L404 HydrophobicContact CG2-CB 4.43Å; V246-L404 HydrophobicContact CG2-CD1 3.69Å |
| 247 | A | 97.1 | Very high | 96.6 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 19% | 0.19 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -45.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T243 D244 L251 A329 | T243-A247 VanDerWaalsContact O-CB 3.31Å; T243-A247 WeakPolarHBondContact O-CB 3.43Å; T243-A247 PolarHBondContact O-N 2.99Å; D244-A247 PolarHBondContact O-N 3.49Å; A247-L251 PolarHBondContact O-N 3.11Å; A247-A329 HydrophobicContact CB-CB 4.46Å |
| 248 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60 | -57.4 | 176.5 | -67.2 | 171.1 | 0 | 0 | 0 | 110.7 | F237 L240 D244 R250 L251 T252 L324 T326 A329 L332 V338 | F237-L248 HydrophobicContact CD2-CD1 4.43Å; F237-L248 HydrophobicContact CE2-CB 4.32Å; F237-L248 HydrophobicContact CE2-CD1 4.04Å; L240-L248 HydrophobicContact CD1-CD1 3.75Å; D244-L248 WeakPolarHBondContact O-CB 3.47Å; D244-L248 VanDerWaalsContact O-CG 3.24Å; D244-L248 WeakPolarHBondContact O-CG 3.39Å; D244-L248 PolarHBondContact O-N 3.44Å; L248-R250 VanDerWaalsContact C-N 3.31Å; L248-R250 PolarHBondContact O-N 3.41Å; L248-L251 PolarHBondContact O-N 3.39Å; L248-T252 WeakPolarHBondContact O-CG2 3.32Å; L248-T252 PolarHBondContact O-N 2.89Å; L248-T252 PolarHBondContact O-OG1 2.67Å; L248-L324 HydrophobicContact CB-CD1 4.2Å; L248-L324 WeakPolarHBondContact CD2-O 3.42Å; L248-T326 HydrophobicContact CD2-CG2 4.29Å; L248-T326 WeakPolarHBondContact CD2-O 3.5Å; L248-A329 HydrophobicContact CD2-CB 3.84Å; L248-L332 HydrophobicContact CD1-CD2 4.47Å; L248-L332 HydrophobicContact CD2-CD1 4.34Å; L248-L332 HydrophobicContact CD2-CD2 3.87Å; L248-L332 HydrophobicContact CG-CD2 3.93Å; L248-V338 HydrophobicContact CD2-CG1 4.19Å |
| 249 | L | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -34.2 | -177.2 | -80.3 | 167.6 | 0 | 0 | 0 | 113.1 | V228 A231 F237 Q245 L251 T252 W253 L256 L324 I400 L404 | V228-L249 HydrophobicContact CG1-CD1 4.4Å; A231-L249 HydrophobicContact CB-CD1 3.96Å; A231-L249 HydrophobicContact CB-CD2 3.95Å; A231-L249 HydrophobicContact CB-CG 4.38Å; F237-L249 HydrophobicContact CE1-CD1 3.99Å; F237-L249 HydrophobicContact CE2-CG 4.43Å; F237-L249 HydrophobicContact CZ-CD1 3.54Å; F237-L249 HydrophobicContact CZ-CG 3.88Å; Q245-L249 PolarHBondContact O-N 3.13Å; Q245-L249 VanDerWaalsContact O-N 3.15Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 2.99Å; L249-T252 PolarHBondContact O-N 2.66Å; L249-W253 WeakPolarHBondContact O-CB 3.49Å; L249-W253 PolarHBondContact O-N 3.01Å; L249-L256 HydrophobicContact CD2-CD1 3.86Å; L249-L324 HydrophobicContact CD2-CD1 3.66Å; L249-L324 HydrophobicContact CG-CD1 3.84Å; L249-I400 HydrophobicContact CB-CG2 3.71Å; L249-L404 HydrophobicContact CB-CD1 4.48Å; L249-L404 HydrophobicContact CD1-CD1 3.73Å; L249-L404 HydrophobicContact CD1-CD2 3.68Å; L249-L404 HydrophobicContact CD1-CG 4.16Å |
| 250 | R | 95.8 | Very high | 96.6 | Very high | 90 Ų | 90 | 26.5 Ų | 26.5 | 34% | 0.34 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.9 | -33.5 | 173.9 | -78.7 | 178.2 | 164.9 | -168.7 | -12.6 | 113.5 | V246 L248 E397 | V246-R250 HydrophobicContact CG1-CG 4.26Å; V246-R250 WeakPolarHBondContact O-CB 3.49Å; V246-R250 WeakPolarHBondContact O-CG 3.48Å; V246-R250 PolarHBondContact O-N 2.93Å; L248-R250 VanDerWaalsContact C-N 3.31Å; L248-R250 PolarHBondContact O-N 3.41Å; R250-E397 HydrophobicContact CB-CB 4.48Å; R250-E397 HydrophobicContact CB-CG 4.19Å; R250-E397 HydrophobicContact CG-CB 3.84Å; R250-E397 HydrophobicContact CG-CG 4.08Å; R250-E397 VanDerWaalsContact CZ-O 3.25Å; R250-E397 PolarHBondContact NE-O 3.15Å; R250-E397 PolarHBondContact NH2-O 3.25Å |
| 251 | L | 96.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 25.7 Ų | 25.7 | 39% | 0.387 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -78 | -38.6 | 175.6 | 179.7 | 59 | 0 | 0 | 0 | 111.9 | A247 L248 L249 T326 D328 A329 | A247-L251 PolarHBondContact O-N 3.11Å; L248-L251 PolarHBondContact O-N 3.39Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 2.99Å; L251-T326 HydrophobicContact CD2-CG2 3.83Å; L251-D328 HydrophobicContact CD2-CB 3.69Å; L251-A329 HydrophobicContact CD2-CB 4.08Å |
| 252 | T | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -103.8 | -3.8 | -164 | 70.6 | 0 | 0 | 0 | 0 | 115.2 | L248 L249 S254 E255 L256 V323 T326 | L248-T252 WeakPolarHBondContact O-CG2 3.32Å; L248-T252 PolarHBondContact O-N 2.89Å; L248-T252 PolarHBondContact O-OG1 2.67Å; L249-T252 PolarHBondContact O-N 2.66Å; T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.81Å; T252-E255 PolarHBondContact O-N 3.48Å; T252-L256 WeakPolarHBondContact O-CG 3.42Å; T252-L256 PolarHBondContact O-N 2.99Å; T252-V323 HydrophobicContact CG2-CG1 4.33Å; T252-V323 VanDerWaalsContact CG2-O 3.22Å; T252-V323 WeakPolarHBondContact CG2-O 3.33Å; T252-T326 HydrophobicContact CG2-CG2 3.61Å |
| 253 | W | 96.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 2% | 0.019 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.7 | -35 | -172.7 | 74.9 | -95.5 | 0 | 0 | 0 | 114.1 | L224 L249 F257 I382 E383 F387 I396 E397 I400 | L224-W253 HydrophobicContact CD1-CB 4.5Å; L224-W253 HydrophobicContact CD1-CE3 3.97Å; L249-W253 WeakPolarHBondContact O-CB 3.49Å; L249-W253 PolarHBondContact O-N 3.01Å; W253-F257 HydrophobicContact CE3-CB 4.49Å; W253-F257 VanDerWaalsContact O-CB 3.27Å; W253-F257 WeakPolarHBondContact O-CB 3.37Å; W253-F257 PolarHBondContact O-N 3.29Å; W253-I382 HydrophobicContact CH2-CB 4.17Å; W253-I382 HydrophobicContact CH2-CG2 3.98Å; W253-I382 HydrophobicContact CZ3-CB 4.24Å; W253-I382 HydrophobicContact CZ3-CG2 3.65Å; W253-E383 HydrophobicContact CH2-CG 3.79Å; W253-E383 HydrophobicContact CZ2-CG 3.93Å; W253-F387 HydrophobicContact CZ3-CE2 4.46Å; W253-I396 HydrophobicContact CD2-CB 4.47Å; W253-I396 HydrophobicContact CD2-CG2 3.66Å; W253-I396 HydrophobicContact CE3-CG2 3.88Å; W253-I396 HydrophobicContact CG-CG2 4.23Å; W253-I396 HydrophobicContact CH2-CB 3.98Å; W253-I396 HydrophobicContact CH2-CG1 3.91Å; W253-I396 HydrophobicContact CH2-CG2 3.97Å; W253-I396 HydrophobicContact CZ2-CB 3.64Å; W253-I396 HydrophobicContact CZ2-CG1 4.04Å; W253-I396 HydrophobicContact CZ2-CG2 3.75Å; W253-I396 HydrophobicContact CZ3-CG1 4.47Å; W253-I396 HydrophobicContact CZ3-CG2 4.03Å; W253-E397 PolarHBondContact NE1-OE1 3.18Å; W253-I400 HydrophobicContact CB-CD1 3.42Å; W253-I400 VanDerWaalsContact CB-CD1 3.42Å; W253-I400 HydrophobicContact CD2-CD1 4.24Å; W253-I400 HydrophobicContact CG-CD1 3.45Å; W253-I400 VanDerWaalsContact CG-CD1 3.45Å |
| 254 | S | 96.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 14.4 Ų | 14.4 | 11% | 0.112 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.3 | -46.1 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | T252 L256 F257 V258 | T252-S254 VanDerWaalsContact C-N 3.28Å; T252-S254 PolarHBondContact O-N 2.81Å; S254-L256 PolarHBondContact O-N 3.18Å; S254-F257 WeakPolarHBondContact O-CB 3.42Å; S254-F257 PolarHBondContact O-N 3.43Å; S254-V258 WeakPolarHBondContact O-CG2 3.44Å; S254-V258 PolarHBondContact O-N 3.07Å |
| 255 | E | 97.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 5% | 0.051 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 175 | -64 | -165.1 | -129.7 | 0 | 0 | 111.4 | T252 F257 V258 L259 V323 L374 R375 | T252-E255 PolarHBondContact O-N 3.48Å; E255-F257 VanDerWaalsContact C-N 3.35Å; E255-F257 PolarHBondContact O-N 2.9Å; E255-V258 PolarHBondContact O-N 2.93Å; E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 3.38Å; E255-V323 HydrophobicContact CB-CG1 3.59Å; E255-L374 HydrophobicContact CB-CB 4.15Å; E255-L374 HydrophobicContact CB-CD1 4.08Å; E255-L374 HydrophobicContact CG-CB 3.88Å; E255-R375 HydrophobicContact CG-CG 4.27Å; E255-R375 WeakPolarHBondContact OE1-CG 3.21Å; E255-R375 IonicContact OE1-CZ 3.94Å; E255-R375 IonicContact OE1-NE 3.14Å; E255-R375 PolarHBondContact OE1-NE 2.87Å; E255-R375 IonicContact OE1-NH2 3.95Å; E255-R375 PolarHBondContact OE1-NH2 2.91Å |
| 256 | L | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 174.2 | -67.2 | 172.7 | 0 | 0 | 0 | 112.4 | A227 L249 T252 S254 L259 N260 K320 V323 L324 | A227-L256 HydrophobicContact CB-CB 4.22Å; L249-L256 HydrophobicContact CD2-CD1 3.86Å; T252-L256 WeakPolarHBondContact O-CG 3.42Å; T252-L256 PolarHBondContact O-N 2.99Å; S254-L256 PolarHBondContact O-N 3.18Å; L256-L259 PolarHBondContact O-N 3.09Å; L256-N260 WeakPolarHBondContact O-CB 3.5Å; L256-N260 PolarHBondContact O-N 3.36Å; L256-K320 HydrophobicContact CD2-CB 3.73Å; L256-K320 HydrophobicContact CD2-CG 3.98Å; L256-V323 HydrophobicContact CD2-CB 4.41Å; L256-V323 HydrophobicContact CD2-CG1 3.99Å; L256-V323 HydrophobicContact CG-CG1 4.05Å; L256-L324 HydrophobicContact CD1-CD1 4.29Å |
| 257 | F | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.3 | -177.2 | -85.6 | 0 | 0 | 0 | 111.8 | A220 M223 W253 S254 E255 N260 A261 M266 F299 I382 F386 F387 | A220-F257 HydrophobicContact CB-CE2 3.82Å; A220-F257 HydrophobicContact CB-CZ 3.73Å; M223-F257 HydrophobicContact CB-CD2 4.45Å; M223-F257 HydrophobicContact CB-CE2 4.28Å; M223-F257 HydrophobicContact CE-CD2 4.21Å; M223-F257 HydrophobicContact CE-CE1 4.16Å; M223-F257 HydrophobicContact CE-CE2 3.83Å; M223-F257 HydrophobicContact CE-CZ 3.8Å; W253-F257 HydrophobicContact CE3-CB 4.49Å; W253-F257 VanDerWaalsContact O-CB 3.27Å; W253-F257 WeakPolarHBondContact O-CB 3.37Å; W253-F257 PolarHBondContact O-N 3.29Å; S254-F257 WeakPolarHBondContact O-CB 3.42Å; S254-F257 PolarHBondContact O-N 3.43Å; E255-F257 VanDerWaalsContact C-N 3.35Å; E255-F257 PolarHBondContact O-N 2.9Å; F257-N260 PolarHBondContact O-N 3.34Å; F257-A261 WeakPolarHBondContact O-CB 3.33Å; F257-A261 PolarHBondContact O-N 3.42Å; F257-M266 HydrophobicContact CE1-SD 4.48Å; F257-M266 HydrophobicContact CZ-CE 4.33Å; F257-M266 HydrophobicContact CZ-SD 4.32Å; F257-F299 HydrophobicContact CD1-CZ 4.23Å; F257-F299 HydrophobicContact CE1-CE1 4.26Å; F257-F299 AromaticContact CE1-CZ 3.83Å; F257-F299 HydrophobicContact CE1-CZ 3.83Å; F257-I382 HydrophobicContact CD1-CD1 3.98Å; F257-I382 HydrophobicContact CD1-CG1 4.3Å; F257-I382 HydrophobicContact CD1-CG2 3.62Å; F257-I382 HydrophobicContact CD2-CG2 4.36Å; F257-I382 HydrophobicContact CE1-CG2 3.63Å; F257-I382 HydrophobicContact CE2-CG2 4.37Å; F257-I382 HydrophobicContact CG-CG2 4.01Å; F257-I382 HydrophobicContact CZ-CG2 4.03Å; F257-F386 HydrophobicContact CE1-CD2 4.01Å; F257-F386 AromaticContact CE1-CE2 3.95Å; F257-F386 HydrophobicContact CE1-CE2 3.95Å; F257-F386 AromaticContact CZ-CD2 3.8Å; F257-F386 HydrophobicContact CZ-CD2 3.8Å; F257-F386 HydrophobicContact CZ-CE2 4.09Å; F257-F386 HydrophobicContact CZ-CG 4.35Å; F257-F387 HydrophobicContact CD2-CE2 4.38Å; F257-F387 HydrophobicContact CD2-CZ 4.34Å; F257-F387 AromaticContact CE2-CE2 3.86Å; F257-F387 HydrophobicContact CE2-CE2 3.86Å; F257-F387 AromaticContact CE2-CZ 3.82Å; F257-F387 HydrophobicContact CE2-CZ 3.82Å; F257-F387 HydrophobicContact CZ-CE2 4.28Å |
| 258 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | S254 E255 A261 A262 F299 Q302 V303 L306 L374 V377 I382 | S254-V258 WeakPolarHBondContact O-CG2 3.44Å; S254-V258 PolarHBondContact O-N 3.07Å; E255-V258 PolarHBondContact O-N 2.93Å; V258-A261 PolarHBondContact O-N 3.48Å; V258-A262 PolarHBondContact O-N 3.14Å; V258-A262 VanDerWaalsContact O-N 3.07Å; V258-F299 HydrophobicContact CB-CE2 4.28Å; V258-F299 HydrophobicContact CG1-CD2 4.46Å; V258-F299 HydrophobicContact CG1-CE2 4.18Å; V258-F299 HydrophobicContact CG2-CD2 4.08Å; V258-F299 HydrophobicContact CG2-CE2 3.81Å; V258-Q302 HydrophobicContact CG1-CB 4.36Å; V258-V303 HydrophobicContact CG1-CG2 4.29Å; V258-L306 HydrophobicContact CG1-CD1 4.4Å; V258-L374 HydrophobicContact CB-CD2 4.29Å; V258-L374 HydrophobicContact CG1-CD2 3.76Å; V258-V377 HydrophobicContact CG2-CB 3.94Å; V258-V377 HydrophobicContact CG2-CG1 4.04Å; V258-V377 HydrophobicContact CG2-CG2 4.09Å; V258-I382 HydrophobicContact CG2-CD1 4.24Å |
| 259 | L | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 174 | -70.8 | 172.6 | 0 | 0 | 0 | 111.7 | E255 L256 A261 A262 Q263 L306 Y316 L319 K320 V323 L374 | E255-L259 WeakPolarHBondContact O-CG 3.43Å; E255-L259 PolarHBondContact O-N 3.38Å; L256-L259 PolarHBondContact O-N 3.09Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.49Å; L259-A262 PolarHBondContact O-N 3.37Å; L259-Q263 WeakPolarHBondContact O-CB 3.47Å; L259-Q263 PolarHBondContact O-N 3.17Å; L259-L306 HydrophobicContact CD2-CD1 4.14Å; L259-L306 HydrophobicContact CD2-CD2 4.29Å; L259-Y316 HydrophobicContact CD2-CD1 4.28Å; L259-Y316 HydrophobicContact CD2-CE1 4.36Å; L259-L319 HydrophobicContact CD1-CB 4.25Å; L259-L319 HydrophobicContact CD2-CB 4.32Å; L259-K320 HydrophobicContact CB-CG 4.37Å; L259-K320 HydrophobicContact CD1-CG 4Å; L259-V323 HydrophobicContact CD1-CG2 4.14Å; L259-L374 HydrophobicContact CD1-CD1 4.21Å; L259-L374 HydrophobicContact CD2-CD1 4.14Å; L259-L374 HydrophobicContact CD2-CD2 4.5Å; L259-L374 HydrophobicContact CG-CD1 3.97Å |
| 260 | N | 95 | Very high | 92.4 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.6 | -77.8 | -5.3 | 0 | 0 | 0 | 111.8 | M223 L256 F257 A262 Q263 C264 K320 | M223-N260 HydrophobicContact CB-CB 4.28Å; M223-N260 HydrophobicContact CE-CB 4.21Å; M223-N260 HydrophobicContact CG-CB 4.33Å; M223-N260 PolarHBondContact O-ND2 2.97Å; L256-N260 WeakPolarHBondContact O-CB 3.5Å; L256-N260 PolarHBondContact O-N 3.36Å; F257-N260 PolarHBondContact O-N 3.34Å; N260-A262 VanDerWaalsContact C-N 3.34Å; N260-A262 PolarHBondContact O-N 2.87Å; N260-Q263 PolarHBondContact O-N 3.01Å; N260-C264 VanDerWaalsContact O-CB 3.24Å; N260-C264 WeakPolarHBondContact O-CB 3.48Å; N260-C264 PolarHBondContact O-N 3.14Å; N260-C264 PolarHBondContact O-SG 3.48Å; N260-K320 WeakPolarHBondContact OD1-CE 3.27Å; N260-K320 PolarHBondContact OD1-NZ 2.84Å |
| 261 | A | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M223 F257 V258 L259 S265 M266 F299 V303 | M223-A261 VanDerWaalsContact CE-CA 3.45Å; M223-A261 HydrophobicContact CE-CB 3.67Å; F257-A261 WeakPolarHBondContact O-CB 3.33Å; F257-A261 PolarHBondContact O-N 3.42Å; V258-A261 PolarHBondContact O-N 3.48Å; L259-A261 VanDerWaalsContact C-N 3.33Å; L259-A261 PolarHBondContact O-N 3.49Å; A261-S265 PolarHBondContact O-N 3.43Å; A261-M266 HydrophobicContact CB-CB 4.11Å; A261-M266 HydrophobicContact CB-SD 4.02Å; A261-M266 WeakPolarHBondContact O-CB 3.15Å; A261-M266 PolarHBondContact O-N 3.4Å; A261-F299 HydrophobicContact CB-CE2 4.03Å; A261-F299 HydrophobicContact CB-CZ 3.74Å; A261-V303 HydrophobicContact CB-CG2 4.01Å |
| 262 | A | 94.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.2 | -47.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V258 L259 N260 C264 S265 V303 L306 Y316 | V258-A262 PolarHBondContact O-N 3.14Å; V258-A262 VanDerWaalsContact O-N 3.07Å; L259-A262 PolarHBondContact O-N 3.37Å; N260-A262 VanDerWaalsContact C-N 3.34Å; N260-A262 PolarHBondContact O-N 2.87Å; A262-C264 PolarHBondContact O-N 3.01Å; A262-S265 PolarHBondContact O-N 3.01Å; A262-S265 VanDerWaalsContact O-N 3.08Å; A262-V303 HydrophobicContact CB-CG1 4.28Å; A262-V303 HydrophobicContact CB-CG2 4.42Å; A262-L306 HydrophobicContact CB-CB 3.72Å; A262-L306 HydrophobicContact CB-CD1 3.64Å; A262-L306 HydrophobicContact CB-CG 4.33Å; A262-Y316 HydrophobicContact CB-CE1 4.13Å; A262-Y316 VanDerWaalsContact CB-OH 3.29Å; A262-Y316 WeakPolarHBondContact CB-OH 3.4Å |
| 263 | Q | 92.8 | Very high | 89.9 | Confident | 24 Ų | 24 | 20.1 Ų | 20.1 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 179.6 | -169.4 | 178.8 | 18.7 | 0 | 0 | 112.9 | T197 L259 N260 S265 Y316 | T197-Q263 HydrophobicContact CG2-CG 4.16Å; T197-Q263 WeakPolarHBondContact CG2-O 3.17Å; L259-Q263 WeakPolarHBondContact O-CB 3.47Å; L259-Q263 PolarHBondContact O-N 3.17Å; N260-Q263 PolarHBondContact O-N 3.01Å; Q263-S265 VanDerWaalsContact C-N 3.3Å; Q263-Y316 HydrophobicContact CB-CD1 4.04Å; Q263-Y316 HydrophobicContact CB-CD2 3.83Å; Q263-Y316 HydrophobicContact CB-CE1 4.03Å; Q263-Y316 HydrophobicContact CB-CE2 3.81Å; Q263-Y316 HydrophobicContact CB-CG 3.97Å; Q263-Y316 HydrophobicContact CG-CD2 3.6Å; Q263-Y316 HydrophobicContact CG-CE2 3.94Å; Q263-Y316 HydrophobicContact CG-CG 3.93Å |
| 264 | C | 89.3 | Confident | 89 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 7% | 0.068 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.9 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | Y200 M223 N260 A262 M266 | Y200-C264 HydrophobicContact CD2-CB 4.46Å; Y200-C264 WeakPolarHBondContact CD2-SG 3.31Å; Y200-C264 HydrophobicContact CG-CB 4.14Å; M223-C264 HydrophobicContact SD-CB 4.2Å; N260-C264 VanDerWaalsContact O-CB 3.24Å; N260-C264 WeakPolarHBondContact O-CB 3.48Å; N260-C264 PolarHBondContact O-N 3.14Å; N260-C264 PolarHBondContact O-SG 3.48Å; A262-C264 PolarHBondContact O-N 3.01Å; C264-M266 PolarHBondContact O-N 2.65Å |
| 265 | S | 87.4 | Confident | 87.9 | Confident | 50 Ų | 50 | 22.9 Ų | 22.9 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 53.7 | -171.5 | -69.6 | 0 | 0 | 0 | 0 | 113.1 | A261 A262 Q263 | A261-S265 PolarHBondContact O-N 3.43Å; A262-S265 PolarHBondContact O-N 3.01Å; A262-S265 VanDerWaalsContact O-N 3.08Å; Q263-S265 VanDerWaalsContact C-N 3.3Å |
| 266 | M | 87.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | -58.5 | 132 | -179.5 | -170.2 | 178.4 | -172.4 | 0 | 0 | 111.6 | I216 L219 A220 M223 F257 A261 C264 L268 F386 | I216-M266 HydrophobicContact CG2-CE 3.66Å; L219-M266 HydrophobicContact CD2-CG 4.02Å; A220-M266 HydrophobicContact CB-CE 3.95Å; M223-M266 HydrophobicContact CE-SD 3.7Å; M223-M266 HydrophobicContact SD-SD 4.12Å; F257-M266 HydrophobicContact CE1-SD 4.48Å; F257-M266 HydrophobicContact CZ-CE 4.33Å; F257-M266 HydrophobicContact CZ-SD 4.32Å; A261-M266 HydrophobicContact CB-CB 4.11Å; A261-M266 HydrophobicContact CB-SD 4.02Å; A261-M266 WeakPolarHBondContact O-CB 3.15Å; A261-M266 PolarHBondContact O-N 3.4Å; C264-M266 PolarHBondContact O-N 2.65Å; M266-L268 HydrophobicContact CE-CD2 4.42Å; M266-L268 HydrophobicContact CG-CD2 4.04Å; M266-L268 PolarHBondContact O-N 3.4Å; M266-L268 HydrophobicContact SD-CD2 3.91Å; M266-F386 HydrophobicContact CE-CD1 3.75Å; M266-F386 HydrophobicContact CE-CE1 3.3Å; M266-F386 HydrophobicContact CE-CE2 4.32Å; M266-F386 HydrophobicContact CE-CG 4.42Å; M266-F386 HydrophobicContact CE-CZ 3.65Å; M266-F386 HydrophobicContact SD-CZ 4.41Å | ||
| 267 | P | 84.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 23.9 Ų | 23.9 | 15% | 0.149 | 15% | 0.153 | C | C | . | . | trans | -79.4 | 87.7 | -178 | 30.7 | -34 | 0 | 0 | 0 | 111.5 | M211 I216 H269 | M211-P267 HydrophobicContact CB-CG 4.35Å; M211-P267 HydrophobicContact CE-CG 3.68Å; I216-P267 HydrophobicContact CD1-CG 4.47Å; I216-P267 HydrophobicContact CG1-CG 4.37Å; P267-H269 PolarHBondContact O-N 3.14Å; P267-H269 VanDerWaalsContact O-N 3.15Å | ||
| 268 | L | 83.9 | Confident | 83.4 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | trans | -85 | 73.3 | 179.3 | -60.1 | 179.4 | 0 | 0 | 0 | 111.6 | M266 L273 F299 Q300 V303 F386 | M266-L268 HydrophobicContact CE-CD2 4.42Å; M266-L268 HydrophobicContact CG-CD2 4.04Å; M266-L268 PolarHBondContact O-N 3.4Å; M266-L268 HydrophobicContact SD-CD2 3.91Å; L268-L273 HydrophobicContact CB-CD1 4.31Å; L268-L273 HydrophobicContact CD2-CD1 4.26Å; L268-F299 HydrophobicContact CD1-CD1 3.72Å; L268-F299 HydrophobicContact CD1-CD2 4.15Å; L268-F299 HydrophobicContact CD1-CE1 3.61Å; L268-F299 HydrophobicContact CD1-CE2 4.04Å; L268-F299 HydrophobicContact CD1-CG 3.99Å; L268-F299 HydrophobicContact CD1-CZ 3.78Å; L268-F299 HydrophobicContact CD2-CD1 3.96Å; L268-F299 HydrophobicContact CD2-CE1 3.43Å; L268-F299 VanDerWaalsContact CD2-CE1 3.43Å; L268-F299 HydrophobicContact CD2-CZ 4.08Å; L268-F299 HydrophobicContact CG-CD1 4.49Å; L268-F299 HydrophobicContact CG-CE1 4.18Å; L268-Q300 HydrophobicContact CB-CG 3.79Å; L268-Q300 HydrophobicContact CD1-CG 4.48Å; L268-Q300 WeakPolarHBondContact O-CG 3.46Å; L268-Q300 PolarHBondContact O-NE2 3.26Å; L268-V303 HydrophobicContact CD1-CB 4.14Å; L268-V303 HydrophobicContact CD1-CG1 4.32Å; L268-V303 HydrophobicContact CD1-CG2 3.89Å; L268-F386 HydrophobicContact CD2-CZ 3.9Å | ||
| 269 | H | 82.3 | Confident | 81.5 | Confident | 112 Ų | 112 | 27.4 Ų | 27.4 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | trans | -93.6 | 134.9 | 175.5 | -65.3 | -71.9 | 0 | 0 | 0 | 112.1 | P267 A271 P272 L273 | P267-H269 PolarHBondContact O-N 3.14Å; P267-H269 VanDerWaalsContact O-N 3.15Å; H269-A271 PolarHBondContact O-N 2.74Å; H269-P272 HydrophobicContact CB-CG 4.04Å; H269-P272 WeakPolarHBondContact O-CD 3.4Å; H269-L273 WeakPolarHBondContact O-CB 3.5Å; H269-L273 VanDerWaalsContact O-CG 3.25Å; H269-L273 WeakPolarHBondContact O-CG 3.44Å; H269-L273 PolarHBondContact O-N 3.1Å | ||
| 270 | V | 80.5 | Confident | 79.3 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 29% | 0.285 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -46.8 | -172.8 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | L273 L274 M293 I296 Q300 | V270-L273 PolarHBondContact O-N 3.29Å; V270-L274 HydrophobicContact CG1-CD1 3.73Å; V270-L274 HydrophobicContact CG1-CG 4.11Å; V270-L274 WeakPolarHBondContact O-CG 3.4Å; V270-L274 PolarHBondContact O-N 2.89Å; V270-M293 HydrophobicContact CG1-CE 4.45Å; V270-M293 HydrophobicContact CG1-CG 4.37Å; V270-I296 HydrophobicContact CG1-CD1 4.38Å; V270-I296 HydrophobicContact CG2-CG2 4.07Å; V270-Q300 VanDerWaalsContact CG2-NE2 3.3Å |
| 271 | A | 77.9 | Confident | 77.3 | Confident | 74 Ų | 74 | 39.9 Ų | 39.9 | 61% | 0.612 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.7 | -48 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H269 L273 L274 A275 | H269-A271 PolarHBondContact O-N 2.74Å; A271-L273 VanDerWaalsContact C-N 3.29Å; A271-L273 PolarHBondContact O-N 3.41Å; A271-L274 PolarHBondContact O-N 3.07Å; A271-A275 PolarHBondContact O-N 3.07Å; A271-A275 VanDerWaalsContact O-N 3.08Å |
| 272 | P | 78.9 | Confident | 75.3 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.156 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.3 | -39.3 | 170.2 | -28.9 | 36.3 | 0 | 0 | 0 | 113.9 | I210 I213 I216 H269 A275 A276 | I210-P272 HydrophobicContact CG2-CG 4.1Å; I213-P272 HydrophobicContact CD1-CB 4.49Å; I213-P272 WeakPolarHBondContact CD1-O 3.48Å; I216-P272 HydrophobicContact CD1-CB 4.29Å; H269-P272 HydrophobicContact CB-CG 4.04Å; H269-P272 WeakPolarHBondContact O-CD 3.4Å; P272-A275 PolarHBondContact O-N 3.37Å; P272-A276 PolarHBondContact O-N 3.26Å |
| 273 | L | 80.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.5 | -34.9 | -179.1 | -67.5 | 176.4 | 0 | 0 | 0 | 113.3 | I213 L268 H269 V270 A271 A276 A277 I296 L385 F386 | I213-L273 HydrophobicContact CD1-CD2 4.3Å; L268-L273 HydrophobicContact CB-CD1 4.31Å; L268-L273 HydrophobicContact CD2-CD1 4.26Å; H269-L273 WeakPolarHBondContact O-CB 3.5Å; H269-L273 VanDerWaalsContact O-CG 3.25Å; H269-L273 WeakPolarHBondContact O-CG 3.44Å; H269-L273 PolarHBondContact O-N 3.1Å; V270-L273 PolarHBondContact O-N 3.29Å; A271-L273 VanDerWaalsContact C-N 3.29Å; A271-L273 PolarHBondContact O-N 3.41Å; L273-A276 WeakPolarHBondContact O-CB 3.38Å; L273-A276 PolarHBondContact O-N 3.42Å; L273-A277 PolarHBondContact O-N 3.15Å; L273-I296 HydrophobicContact CB-CD1 3.8Å; L273-I296 HydrophobicContact CB-CG1 4.29Å; L273-I296 HydrophobicContact CD1-CG1 4.36Å; L273-I296 HydrophobicContact CD1-CG2 3.87Å; L273-L385 HydrophobicContact CB-CD2 3.94Å; L273-L385 HydrophobicContact CD1-CD2 4.45Å; L273-L385 HydrophobicContact CD2-CD2 4.27Å; L273-L385 HydrophobicContact CG-CD2 4.44Å; L273-F386 HydrophobicContact CD2-CD1 4.45Å; L273-F386 HydrophobicContact CD2-CE1 3.49Å; L273-F386 VanDerWaalsContact CD2-CE1 3.49Å; L273-F386 HydrophobicContact CD2-CZ 3.89Å |
| 274 | L | 77.5 | Confident | 72.3 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 170.2 | -72 | 169.7 | 0 | 0 | 0 | 111.4 | V270 A271 A276 L279 F292 M293 I296 | V270-L274 HydrophobicContact CG1-CD1 3.73Å; V270-L274 HydrophobicContact CG1-CG 4.11Å; V270-L274 WeakPolarHBondContact O-CG 3.4Å; V270-L274 PolarHBondContact O-N 2.89Å; A271-L274 PolarHBondContact O-N 3.07Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 3.01Å; L274-L279 HydrophobicContact CB-CD2 4.46Å; L274-L279 HydrophobicContact CD2-CD2 3.63Å; L274-F292 HydrophobicContact CD2-CD1 3.93Å; L274-M293 HydrophobicContact CD1-CG 4.09Å; L274-M293 HydrophobicContact CD1-SD 4.32Å; L274-M293 HydrophobicContact CD2-CG 3.86Å; L274-M293 HydrophobicContact CG-CG 4.47Å; L274-I296 HydrophobicContact CD2-CD1 4.22Å; L274-I296 HydrophobicContact CG-CD1 4.23Å |
| 275 | A | 74.3 | Confident | 71.8 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.5 | -31 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A271 P272 | A271-A275 PolarHBondContact O-N 3.07Å; A271-A275 VanDerWaalsContact O-N 3.08Å; P272-A275 PolarHBondContact O-N 3.37Å |
| 276 | A | 69.6 | Low | 71.5 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.033 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I213 P272 L273 L274 G278 R389 | I213-A276 HydrophobicContact CD1-CB 3.38Å; I213-A276 HydrophobicContact CG1-CB 3.39Å; P272-A276 PolarHBondContact O-N 3.26Å; L273-A276 WeakPolarHBondContact O-CB 3.38Å; L273-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact C-N 3.29Å; L274-A276 PolarHBondContact O-N 3.01Å; A276-G278 PolarHBondContact O-N 2.92Å; A276-R389 VanDerWaalsContact O-CD 3.28Å; A276-R389 WeakPolarHBondContact O-CD 3.31Å |
| 277 | A | 66.8 | Low | 71.3 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 24% | 0.24 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 14 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L273 L279 F292 | L273-A277 PolarHBondContact O-N 3.15Å; A277-L279 HydrophobicContact CB-CD1 3.7Å; A277-L279 PolarHBondContact O-N 3.48Å; A277-F292 HydrophobicContact CB-CD1 4.5Å; A277-F292 HydrophobicContact CB-CE1 3.54Å; A277-F292 HydrophobicContact CB-CE2 4.15Å; A277-F292 HydrophobicContact CB-CZ 3.34Å |
| 278 | G | 60.9 | Low | 71.1 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 38% | 0.381 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 21 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | A276 H280 A281 | A276-G278 PolarHBondContact O-N 2.92Å; G278-H280 PolarHBondContact O-N 3.25Å; G278-A281 WeakPolarHBondContact O-CB 3.45Å; G278-A281 PolarHBondContact O-N 2.85Å |
| 279 | L | 56.7 | Low | 71 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 19% | 0.194 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -9.1 | -177.5 | -87.7 | 69 | 0 | 0 | 0 | 114.8 | L274 A277 V289 | L274-L279 HydrophobicContact CB-CD2 4.46Å; L274-L279 HydrophobicContact CD2-CD2 3.63Å; A277-L279 HydrophobicContact CB-CD1 3.7Å; A277-L279 PolarHBondContact O-N 3.48Å; L279-V289 HydrophobicContact CD2-CG1 4.09Å; L279-V289 HydrophobicContact CD2-CG2 4.1Å |
| 280 | H | 52 | Low | 71.2 | Confident | 172 Ų | 172 | 69 Ų | 69 | 80% | 0.796 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -10.5 | 172.1 | -63.3 | -68.3 | 0 | 0 | 0 | 114.4 | G278 | G278-H280 PolarHBondContact O-N 3.25Š|
| 281 | A | 53.3 | Low | 71.4 | Confident | 94 Ų | 94 | 69 Ų | 69 | 78% | 0.777 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -88.4 | -18.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G278 | G278-A281 WeakPolarHBondContact O-CB 3.45Å; G278-A281 PolarHBondContact O-N 2.85Å |
| 282 | S | 51.6 | Low | 71.6 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -160.4 | 137.2 | 172 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | M284 | S282-M284 PolarHBondContact O-N 3.35Š|
| 283 | P | 59.8 | Low | 72 | Confident | 127 Ų | 127 | 69.1 Ų | 69.1 | 83% | 0.825 | 42% | 0.419 | S | S | * | . | trans | -68.4 | 103 | -178.6 | 27.8 | -34.2 | 0 | 0 | 0 | 111.2 | ||||
| 284 | M | 64.9 | Low | 72.5 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | trans | -66.9 | 153.3 | 166 | -74.8 | -158 | 177.3 | 0 | 0 | 111.2 | S282 R288 V289 | S282-M284 PolarHBondContact O-N 3.35Å; M284-R288 HydrophobicContact CB-CB 4.13Å; M284-R288 HydrophobicContact CG-CB 4.43Å; M284-R288 HydrophobicContact SD-CB 3.68Å; M284-R288 HydrophobicContact SD-CG 4.46Å; M284-V289 HydrophobicContact CB-CG2 4.16Å | ||
| 285 | S | 78 | Confident | 73 | Confident | 57 Ų | 57 | 74 Ų | 74 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | trans | -63.7 | 151.8 | 166.6 | 76.6 | 0 | 0 | 0 | 0 | 110.4 | D287 R288 V289 | S285-D287 WeakPolarHBondContact CB-OD2 3.5Å; S285-D287 PolarHBondContact O-N 3.3Å; S285-D287 VanDerWaalsContact O-N 3.16Å; S285-D287 PolarHBondContact OG-OD2 2.77Å; S285-R288 PolarHBondContact O-N 3.5Å; S285-V289 PolarHBondContact O-N 2.97Å | ||
| 286 | A | 80.3 | Confident | 73.7 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -54.2 | -36.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | R288 V289 V290 | A286-R288 VanDerWaalsContact C-N 3.32Å; A286-R288 PolarHBondContact O-N 3.44Å; A286-V289 PolarHBondContact O-N 3.35Å; A286-V289 VanDerWaalsContact O-N 3.13Å; A286-V290 WeakPolarHBondContact O-CG2 3.36Å; A286-V290 PolarHBondContact O-N 3.45Å |
| 287 | D | 83.3 | Confident | 74.8 | Confident | 121 Ų | 121 | 79 Ų | 79 | 65% | 0.647 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.5 | -39.2 | 179.6 | -27.3 | -77.3 | 0 | 0 | 0 | 112.2 | S285 V290 A291 | S285-D287 WeakPolarHBondContact CB-OD2 3.5Å; S285-D287 PolarHBondContact O-N 3.3Å; S285-D287 VanDerWaalsContact O-N 3.16Å; S285-D287 PolarHBondContact OG-OD2 2.77Å; D287-V290 PolarHBondContact O-N 2.97Å; D287-A291 WeakPolarHBondContact O-CB 3.43Å; D287-A291 PolarHBondContact O-N 2.9Å |
| 288 | R | 80.3 | Confident | 76.1 | Confident | 162 Ų | 162 | 79.6 Ų | 79.6 | 61% | 0.611 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.2 | -38 | 176.4 | -69.3 | -173.7 | 178.4 | -162.5 | -0.7 | 111.7 | M284 S285 A286 F292 | M284-R288 HydrophobicContact CB-CB 4.13Å; M284-R288 HydrophobicContact CG-CB 4.43Å; M284-R288 HydrophobicContact SD-CB 3.68Å; M284-R288 HydrophobicContact SD-CG 4.46Å; S285-R288 PolarHBondContact O-N 3.5Å; A286-R288 VanDerWaalsContact C-N 3.32Å; A286-R288 PolarHBondContact O-N 3.44Å; R288-F292 WeakPolarHBondContact O-CB 3.2Å; R288-F292 PolarHBondContact O-N 3.05Å |
| 289 | V | 81.8 | Confident | 77.6 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 27% | 0.267 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | L279 M284 S285 A286 F292 M293 | L279-V289 HydrophobicContact CD2-CG1 4.09Å; L279-V289 HydrophobicContact CD2-CG2 4.1Å; M284-V289 HydrophobicContact CB-CG2 4.16Å; S285-V289 PolarHBondContact O-N 2.97Å; A286-V289 PolarHBondContact O-N 3.35Å; A286-V289 VanDerWaalsContact O-N 3.13Å; V289-F292 PolarHBondContact O-N 2.96Å; V289-M293 HydrophobicContact CG1-SD 4.22Å; V289-M293 VanDerWaalsContact O-CG 3.32Å; V289-M293 WeakPolarHBondContact O-CG 3.44Å; V289-M293 PolarHBondContact O-N 3.2Å |
| 290 | V | 85.9 | Confident | 79.4 | Confident | 98 Ų | 98 | 78.5 Ų | 78.5 | 59% | 0.594 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | A286 D287 F292 M293 D294 | A286-V290 WeakPolarHBondContact O-CG2 3.36Å; A286-V290 PolarHBondContact O-N 3.45Å; D287-V290 PolarHBondContact O-N 2.97Å; V290-F292 VanDerWaalsContact C-N 3.34Å; V290-F292 PolarHBondContact O-N 3.47Å; V290-M293 PolarHBondContact O-N 3.38Å; V290-D294 PolarHBondContact O-N 3.05Å |
| 291 | A | 84.8 | Confident | 81.4 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D287 D294 H295 | D287-A291 WeakPolarHBondContact O-CB 3.43Å; D287-A291 PolarHBondContact O-N 2.9Å; A291-D294 PolarHBondContact O-N 3.01Å; A291-H295 PolarHBondContact O-CD2 3.18Å; A291-H295 VanDerWaalsContact O-CG 3.28Å; A291-H295 PolarHBondContact O-N 3.12Å |
| 292 | F | 83.3 | Confident | 83.4 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 7% | 0.066 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.5 | -37 | 177.9 | -159.4 | -97.7 | 0 | 0 | 0 | 112.7 | L274 A277 R288 V289 V290 D294 H295 I296 Q384 L385 | L274-F292 HydrophobicContact CD2-CD1 3.93Å; A277-F292 HydrophobicContact CB-CD1 4.5Å; A277-F292 HydrophobicContact CB-CE1 3.54Å; A277-F292 HydrophobicContact CB-CE2 4.15Å; A277-F292 HydrophobicContact CB-CZ 3.34Å; R288-F292 WeakPolarHBondContact O-CB 3.2Å; R288-F292 PolarHBondContact O-N 3.05Å; V289-F292 PolarHBondContact O-N 2.96Å; V290-F292 VanDerWaalsContact C-N 3.34Å; V290-F292 PolarHBondContact O-N 3.47Å; F292-D294 VanDerWaalsContact C-N 3.35Å; F292-H295 PolarHBondContact O-N 2.99Å; F292-I296 HydrophobicContact CD1-CD1 3.76Å; F292-I296 HydrophobicContact CD1-CG1 4.35Å; F292-I296 HydrophobicContact CE1-CD1 3.81Å; F292-I296 HydrophobicContact CE1-CG1 4.28Å; F292-I296 WeakPolarHBondContact O-CG1 3.24Å; F292-I296 PolarHBondContact O-N 3.15Å; F292-Q384 HydrophobicContact CE2-CB 3.99Å; F292-Q384 HydrophobicContact CZ-CB 4.44Å; F292-L385 HydrophobicContact CE1-CD2 3.54Å; F292-L385 HydrophobicContact CE1-CG 4.46Å; F292-L385 HydrophobicContact CZ-CD2 3.44Å; F292-L385 VanDerWaalsContact CZ-CD2 3.44Å; F292-L385 HydrophobicContact CZ-CG 3.89Å |
| 293 | M | 86.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 67 Ų | 67 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 172.2 | -74.1 | 177.8 | 66.3 | 0 | 0 | 112.3 | V270 L274 V289 V290 I296 R297 | V270-M293 HydrophobicContact CG1-CE 4.45Å; V270-M293 HydrophobicContact CG1-CG 4.37Å; L274-M293 HydrophobicContact CD1-CG 4.09Å; L274-M293 HydrophobicContact CD1-SD 4.32Å; L274-M293 HydrophobicContact CD2-CG 3.86Å; L274-M293 HydrophobicContact CG-CG 4.47Å; V289-M293 HydrophobicContact CG1-SD 4.22Å; V289-M293 VanDerWaalsContact O-CG 3.32Å; V289-M293 WeakPolarHBondContact O-CG 3.44Å; V289-M293 PolarHBondContact O-N 3.2Å; V290-M293 PolarHBondContact O-N 3.38Å; M293-I296 PolarHBondContact O-N 3.15Å; M293-R297 WeakPolarHBondContact O-CB 3.4Å; M293-R297 PolarHBondContact O-N 3.27Å |
| 294 | D | 89.9 | Confident | 87.1 | Confident | 57 Ų | 57 | 66 Ų | 66 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 175.7 | -164.4 | 46.1 | 0 | 0 | 0 | 112.3 | V290 A291 F292 I296 R297 I298 | V290-D294 PolarHBondContact O-N 3.05Å; A291-D294 PolarHBondContact O-N 3.01Å; F292-D294 VanDerWaalsContact C-N 3.35Å; D294-I296 VanDerWaalsContact C-N 3.34Å; D294-I296 PolarHBondContact O-N 3.2Å; D294-R297 WeakPolarHBondContact O-CB 3.48Å; D294-R297 PolarHBondContact O-N 3.29Å; D294-R297 VanDerWaalsContact O-N 3.1Å; D294-R297 IonicContact OD1-CZ 3.5Å; D294-R297 IonicContact OD1-NE 3.97Å; D294-R297 PolarHBondContact OD1-NE 3.07Å; D294-R297 IonicContact OD1-NH2 2.81Å; D294-R297 PolarHBondContact OD1-NH2 3.28Å; D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.49Å; D294-I298 PolarHBondContact O-N 2.86Å |
| 295 | H | 88.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 171.1 | -69.1 | -29.2 | 0 | 0 | 0 | 112.8 | A291 F292 F299 V381 | A291-H295 PolarHBondContact O-CD2 3.18Å; A291-H295 VanDerWaalsContact O-CG 3.28Å; A291-H295 PolarHBondContact O-N 3.12Å; F292-H295 PolarHBondContact O-N 2.99Å; H295-F299 PolarHBondContact O-N 3.3Å; H295-V381 HydrophobicContact CB-CG1 3.84Å; H295-V381 HydrophobicContact CB-CG2 3.84Å |
| 296 | I | 89 | Confident | 89.4 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 171.7 | -68.8 | 163.7 | 0 | 0 | 0 | 110.6 | V270 L273 L274 F292 M293 D294 F299 Q300 L385 | V270-I296 HydrophobicContact CG1-CD1 4.38Å; V270-I296 HydrophobicContact CG2-CG2 4.07Å; L273-I296 HydrophobicContact CB-CD1 3.8Å; L273-I296 HydrophobicContact CB-CG1 4.29Å; L273-I296 HydrophobicContact CD1-CG1 4.36Å; L273-I296 HydrophobicContact CD1-CG2 3.87Å; L274-I296 HydrophobicContact CD2-CD1 4.22Å; L274-I296 HydrophobicContact CG-CD1 4.23Å; F292-I296 HydrophobicContact CD1-CD1 3.76Å; F292-I296 HydrophobicContact CD1-CG1 4.35Å; F292-I296 HydrophobicContact CE1-CD1 3.81Å; F292-I296 HydrophobicContact CE1-CG1 4.28Å; F292-I296 WeakPolarHBondContact O-CG1 3.24Å; F292-I296 PolarHBondContact O-N 3.15Å; M293-I296 PolarHBondContact O-N 3.15Å; D294-I296 VanDerWaalsContact C-N 3.34Å; D294-I296 PolarHBondContact O-N 3.2Å; I296-F299 PolarHBondContact O-N 3.12Å; I296-Q300 HydrophobicContact CG2-CG 4.25Å; I296-Q300 VanDerWaalsContact O-CG 3.3Å; I296-Q300 WeakPolarHBondContact O-CG 3.45Å; I296-Q300 PolarHBondContact O-N 3.43Å; I296-L385 HydrophobicContact CD1-CD2 4.09Å; I296-L385 HydrophobicContact CG1-CD2 3.67Å |
| 297 | R | 92.1 | Very high | 90 | Very high | 155 Ų | 155 | 62 Ų | 62 | 59% | 0.585 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 180 | -174.3 | 177.3 | 69.9 | 133.1 | 0.5 | 112.3 | M293 D294 F299 Q300 E301 | M293-R297 WeakPolarHBondContact O-CB 3.4Å; M293-R297 PolarHBondContact O-N 3.27Å; D294-R297 WeakPolarHBondContact O-CB 3.48Å; D294-R297 PolarHBondContact O-N 3.29Å; D294-R297 VanDerWaalsContact O-N 3.1Å; D294-R297 IonicContact OD1-CZ 3.5Å; D294-R297 IonicContact OD1-NE 3.97Å; D294-R297 PolarHBondContact OD1-NE 3.07Å; D294-R297 IonicContact OD1-NH2 2.81Å; D294-R297 PolarHBondContact OD1-NH2 3.28Å; R297-F299 VanDerWaalsContact C-N 3.35Å; R297-F299 PolarHBondContact O-N 3.43Å; R297-Q300 WeakPolarHBondContact O-CB 3.41Å; R297-Q300 PolarHBondContact O-N 3.26Å; R297-E301 VanDerWaalsContact O-CB 3.31Å; R297-E301 WeakPolarHBondContact O-CB 3.5Å; R297-E301 PolarHBondContact O-N 2.96Å |
| 298 | I | 93.7 | Very high | 90.6 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.5 | -68 | 162.7 | 0 | 0 | 0 | 110.3 | D294 E301 Q302 V377 | D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.49Å; D294-I298 PolarHBondContact O-N 2.86Å; I298-E301 PolarHBondContact O-N 3.42Å; I298-Q302 WeakPolarHBondContact O-CG 3.21Å; I298-Q302 PolarHBondContact O-N 3.4Å; I298-Q302 VanDerWaalsContact O-N 3.09Å; I298-V377 HydrophobicContact CG2-CG2 4.42Å |
| 299 | F | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 178.2 | -179.3 | -150.3 | 0 | 0 | 0 | 112.6 | F257 V258 A261 L268 H295 I296 R297 E301 Q302 V303 V377 L385 F386 | F257-F299 HydrophobicContact CD1-CZ 4.23Å; F257-F299 HydrophobicContact CE1-CE1 4.26Å; F257-F299 AromaticContact CE1-CZ 3.83Å; F257-F299 HydrophobicContact CE1-CZ 3.83Å; V258-F299 HydrophobicContact CB-CE2 4.28Å; V258-F299 HydrophobicContact CG1-CD2 4.46Å; V258-F299 HydrophobicContact CG1-CE2 4.18Å; V258-F299 HydrophobicContact CG2-CD2 4.08Å; V258-F299 HydrophobicContact CG2-CE2 3.81Å; A261-F299 HydrophobicContact CB-CE2 4.03Å; A261-F299 HydrophobicContact CB-CZ 3.74Å; L268-F299 HydrophobicContact CD1-CD1 3.72Å; L268-F299 HydrophobicContact CD1-CD2 4.15Å; L268-F299 HydrophobicContact CD1-CE1 3.61Å; L268-F299 HydrophobicContact CD1-CE2 4.04Å; L268-F299 HydrophobicContact CD1-CG 3.99Å; L268-F299 HydrophobicContact CD1-CZ 3.78Å; L268-F299 HydrophobicContact CD2-CD1 3.96Å; L268-F299 HydrophobicContact CD2-CE1 3.43Å; L268-F299 VanDerWaalsContact CD2-CE1 3.43Å; L268-F299 HydrophobicContact CD2-CZ 4.08Å; L268-F299 HydrophobicContact CG-CD1 4.49Å; L268-F299 HydrophobicContact CG-CE1 4.18Å; H295-F299 PolarHBondContact O-N 3.3Å; I296-F299 PolarHBondContact O-N 3.12Å; R297-F299 VanDerWaalsContact C-N 3.35Å; R297-F299 PolarHBondContact O-N 3.43Å; F299-E301 VanDerWaalsContact C-N 3.27Å; F299-E301 PolarHBondContact O-N 2.84Å; F299-Q302 PolarHBondContact O-N 3.1Å; F299-V303 HydrophobicContact CD2-CG2 3.97Å; F299-V303 HydrophobicContact CE2-CG2 3.54Å; F299-V303 HydrophobicContact CZ-CG2 4.3Å; F299-V303 PolarHBondContact O-N 3.43Å; F299-V303 VanDerWaalsContact O-N 3.14Å; F299-V377 HydrophobicContact CB-CG1 3.96Å; F299-V377 HydrophobicContact CB-CG2 4.25Å; F299-V377 HydrophobicContact CD2-CG1 3.9Å; F299-V377 HydrophobicContact CD2-CG2 4.11Å; F299-V377 HydrophobicContact CG-CG1 3.97Å; F299-L385 HydrophobicContact CD1-CD1 4.24Å; F299-F386 HydrophobicContact CD1-CE2 4.33Å; F299-F386 HydrophobicContact CD1-CZ 4.48Å; F299-F386 AromaticContact CE1-CE2 3.63Å; F299-F386 HydrophobicContact CE1-CE2 3.63Å; F299-F386 AromaticContact CE1-CZ 3.79Å; F299-F386 HydrophobicContact CE1-CZ 3.79Å |
| 300 | Q | 93.4 | Very high | 92 | Very high | 50 Ų | 50 | 59 Ų | 59 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.7 | -46.7 | 171.1 | -73.4 | 166.8 | -17.3 | 0 | 0 | 111.4 | L268 V270 I296 R297 V303 E304 | L268-Q300 HydrophobicContact CB-CG 3.79Å; L268-Q300 HydrophobicContact CD1-CG 4.48Å; L268-Q300 WeakPolarHBondContact O-CG 3.46Å; L268-Q300 PolarHBondContact O-NE2 3.26Å; V270-Q300 VanDerWaalsContact CG2-NE2 3.3Å; I296-Q300 HydrophobicContact CG2-CG 4.25Å; I296-Q300 VanDerWaalsContact O-CG 3.3Å; I296-Q300 WeakPolarHBondContact O-CG 3.45Å; I296-Q300 PolarHBondContact O-N 3.43Å; R297-Q300 WeakPolarHBondContact O-CB 3.41Å; R297-Q300 PolarHBondContact O-N 3.26Å; Q300-V303 PolarHBondContact O-N 3.36Å; Q300-E304 WeakPolarHBondContact O-CB 3.45Å; Q300-E304 PolarHBondContact O-N 2.98Å |
| 301 | E | 94.7 | Very high | 92.5 | Very high | 94 Ų | 94 | 55 Ų | 55 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | -175.6 | -160.5 | -164.4 | -178.5 | 0 | 0 | 112.5 | R297 I298 F299 K305 | R297-E301 VanDerWaalsContact O-CB 3.31Å; R297-E301 WeakPolarHBondContact O-CB 3.5Å; R297-E301 PolarHBondContact O-N 2.96Å; I298-E301 PolarHBondContact O-N 3.42Å; F299-E301 VanDerWaalsContact C-N 3.27Å; F299-E301 PolarHBondContact O-N 2.84Å; E301-K305 HydrophobicContact CG-CD 4.24Å; E301-K305 WeakPolarHBondContact O-CB 3.45Å; E301-K305 WeakPolarHBondContact O-CD 3.24Å; E301-K305 WeakPolarHBondContact O-CG 3.41Å; E301-K305 PolarHBondContact O-N 3.01Å; E301-K305 WeakPolarHBondContact OE1-CE 3.29Å; E301-K305 IonicContact OE1-NZ 3.92Å; E301-K305 PolarHBondContact OE1-NZ 2.95Å; E301-K305 IonicContact OE2-NZ 3.94Å; E301-K305 PolarHBondContact OE2-NZ 3.49Å |
| 302 | Q | 95.5 | Very high | 93 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 175.9 | -53.5 | -41.8 | -26.1 | 0 | 0 | 112.3 | V258 I298 F299 K305 L306 T376 V377 | V258-Q302 HydrophobicContact CG1-CB 4.36Å; I298-Q302 WeakPolarHBondContact O-CG 3.21Å; I298-Q302 PolarHBondContact O-N 3.4Å; I298-Q302 VanDerWaalsContact O-N 3.09Å; F299-Q302 PolarHBondContact O-N 3.1Å; Q302-K305 PolarHBondContact O-N 2.78Å; Q302-L306 WeakPolarHBondContact O-CG 3.47Å; Q302-L306 PolarHBondContact O-N 2.74Å; Q302-L306 VanDerWaalsContact O-N 3.13Å; Q302-T376 PolarHBondContact NE2-OG1 2.93Å; Q302-V377 HydrophobicContact CB-CG2 4.37Å; Q302-V377 HydrophobicContact CG-CG2 3.87Å |
| 303 | V | 94.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.3 | 161.4 | 0 | 0 | 0 | 0 | 111.3 | V258 A261 A262 L268 F299 Q300 L306 K307 | V258-V303 HydrophobicContact CG1-CG2 4.29Å; A261-V303 HydrophobicContact CB-CG2 4.01Å; A262-V303 HydrophobicContact CB-CG1 4.28Å; A262-V303 HydrophobicContact CB-CG2 4.42Å; L268-V303 HydrophobicContact CD1-CB 4.14Å; L268-V303 HydrophobicContact CD1-CG1 4.32Å; L268-V303 HydrophobicContact CD1-CG2 3.89Å; F299-V303 HydrophobicContact CD2-CG2 3.97Å; F299-V303 HydrophobicContact CE2-CG2 3.54Å; F299-V303 HydrophobicContact CZ-CG2 4.3Å; F299-V303 PolarHBondContact O-N 3.43Å; F299-V303 VanDerWaalsContact O-N 3.14Å; Q300-V303 PolarHBondContact O-N 3.36Å; V303-L306 PolarHBondContact O-N 2.82Å; V303-K307 WeakPolarHBondContact O-CG 3.39Å; V303-K307 PolarHBondContact O-N 3.16Å; V303-K307 VanDerWaalsContact O-N 3.08Å |
| 304 | E | 94.4 | Very high | 94 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.3 | -34.6 | -179.5 | -152.1 | 58.1 | -140 | 0 | 0 | 112.1 | Q300 L306 K307 A308 | Q300-E304 WeakPolarHBondContact O-CB 3.45Å; Q300-E304 PolarHBondContact O-N 2.98Å; E304-L306 VanDerWaalsContact C-N 3.25Å; E304-L306 PolarHBondContact O-N 3.3Å; E304-K307 PolarHBondContact O-N 3.21Å; E304-K307 WeakPolarHBondContact OE2-CD 3.21Å; E304-K307 IonicContact OE2-NZ 3.07Å; E304-K307 PolarHBondContact OE2-NZ 2.96Å; E304-A308 VanDerWaalsContact O-CB 3.3Å; E304-A308 WeakPolarHBondContact O-CB 3.47Å; E304-A308 PolarHBondContact O-N 3.26Å |
| 305 | K | 95.9 | Very high | 94.4 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 33% | 0.326 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -29.5 | 170.5 | -77 | 167.1 | -178.7 | 164.8 | 0 | 113.2 | E301 Q302 | E301-K305 HydrophobicContact CG-CD 4.24Å; E301-K305 WeakPolarHBondContact O-CB 3.45Å; E301-K305 WeakPolarHBondContact O-CD 3.24Å; E301-K305 WeakPolarHBondContact O-CG 3.41Å; E301-K305 PolarHBondContact O-N 3.01Å; E301-K305 WeakPolarHBondContact OE1-CE 3.29Å; E301-K305 IonicContact OE1-NZ 3.92Å; E301-K305 PolarHBondContact OE1-NZ 2.95Å; E301-K305 IonicContact OE2-NZ 3.94Å; E301-K305 PolarHBondContact OE2-NZ 3.49Å; Q302-K305 PolarHBondContact O-N 2.78Å |
| 306 | L | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.8 | -49.8 | 171.6 | -74.5 | 164.2 | 0 | 0 | 0 | 111 | V258 L259 A262 Q302 V303 E304 A308 L309 V311 R370 L374 | V258-L306 HydrophobicContact CG1-CD1 4.4Å; L259-L306 HydrophobicContact CD2-CD1 4.14Å; L259-L306 HydrophobicContact CD2-CD2 4.29Å; A262-L306 HydrophobicContact CB-CB 3.72Å; A262-L306 HydrophobicContact CB-CD1 3.64Å; A262-L306 HydrophobicContact CB-CG 4.33Å; Q302-L306 WeakPolarHBondContact O-CG 3.47Å; Q302-L306 PolarHBondContact O-N 2.74Å; Q302-L306 VanDerWaalsContact O-N 3.13Å; V303-L306 PolarHBondContact O-N 2.82Å; E304-L306 VanDerWaalsContact C-N 3.25Å; E304-L306 PolarHBondContact O-N 3.3Å; L306-A308 VanDerWaalsContact C-N 3.3Å; L306-A308 PolarHBondContact O-N 3.5Å; L306-L309 PolarHBondContact O-N 2.89Å; L306-L309 VanDerWaalsContact O-N 3.13Å; L306-V311 HydrophobicContact CD2-CG2 4.46Å; L306-V311 WeakPolarHBondContact O-CG2 3.35Å; L306-R370 HydrophobicContact CD2-CB 4.03Å; L306-R370 HydrophobicContact CD2-CG 4.04Å; L306-L374 HydrophobicContact CD1-CD2 4.1Å |
| 307 | K | 92.9 | Very high | 95.2 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -40.3 | 177.4 | -68 | 175.5 | -165.9 | 160.4 | 0 | 113 | V303 E304 L309 H310 | V303-K307 WeakPolarHBondContact O-CG 3.39Å; V303-K307 PolarHBondContact O-N 3.16Å; V303-K307 VanDerWaalsContact O-N 3.08Å; E304-K307 PolarHBondContact O-N 3.21Å; E304-K307 WeakPolarHBondContact OE2-CD 3.21Å; E304-K307 IonicContact OE2-NZ 3.07Å; E304-K307 PolarHBondContact OE2-NZ 2.96Å; K307-L309 PolarHBondContact O-N 3.27Å; K307-H310 WeakPolarHBondContact O-CA 3.07Å; K307-H310 PolarHBondContact O-N 3.38Å |
| 308 | A | 95.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 39 Ų | 39 | 59% | 0.587 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | E304 L306 H310 | E304-A308 VanDerWaalsContact O-CB 3.3Å; E304-A308 WeakPolarHBondContact O-CB 3.47Å; E304-A308 PolarHBondContact O-N 3.26Å; L306-A308 VanDerWaalsContact C-N 3.3Å; L306-A308 PolarHBondContact O-N 3.5Å; A308-H310 VanDerWaalsContact C-N 3.31Å |
| 309 | L | 96.1 | Very high | 95.7 | Very high | 40 Ų | 40 | 37 Ų | 37 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.5 | 168.8 | -70.4 | 175.5 | 0 | 0 | 0 | 112.8 | L306 K307 V311 R363 K366 L367 R370 | L306-L309 PolarHBondContact O-N 2.89Å; L306-L309 VanDerWaalsContact O-N 3.13Å; K307-L309 PolarHBondContact O-N 3.27Å; L309-V311 VanDerWaalsContact C-N 3.35Å; L309-V311 HydrophobicContact CB-CG2 3.93Å; L309-R363 PolarHBondContact O-NH1 2.96Å; L309-R363 PolarHBondContact O-NH2 2.88Å; L309-K366 HydrophobicContact CD2-CB 4.22Å; L309-K366 HydrophobicContact CD2-CD 4.32Å; L309-L367 HydrophobicContact CD1-CD2 4.29Å; L309-R370 HydrophobicContact CD1-CG 3.65Å |
| 310 | H | 95 | Very high | 96 | Very high | 153 Ų | 153 | 37.1 Ų | 37.1 | 71% | 0.708 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 54.8 | -168.8 | -60.5 | -71.2 | 0 | 0 | 0 | 111.5 | K307 A308 D312 R363 | K307-H310 WeakPolarHBondContact O-CA 3.07Å; K307-H310 PolarHBondContact O-N 3.38Å; A308-H310 VanDerWaalsContact C-N 3.31Å; H310-D312 PolarHBondContact O-N 3.29Å; H310-R363 PolarHBondContact O-NH2 3.48Å |
| 311 | V | 96.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | trans | -62.9 | 127.5 | 176.6 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | L306 L309 E315 Y316 L319 L367 | L306-V311 HydrophobicContact CD2-CG2 4.46Å; L306-V311 WeakPolarHBondContact O-CG2 3.35Å; L309-V311 VanDerWaalsContact C-N 3.35Å; L309-V311 HydrophobicContact CB-CG2 3.93Å; V311-E315 WeakPolarHBondContact CA-OE2 3.38Å; V311-E315 HydrophobicContact CG1-CB 3.62Å; V311-Y316 HydrophobicContact CB-CD2 4.08Å; V311-Y316 HydrophobicContact CB-CE1 4.32Å; V311-Y316 HydrophobicContact CB-CE2 3.65Å; V311-Y316 HydrophobicContact CG1-CD1 4.02Å; V311-Y316 HydrophobicContact CG1-CD2 3.66Å; V311-Y316 HydrophobicContact CG1-CE1 4.09Å; V311-Y316 HydrophobicContact CG1-CE2 3.75Å; V311-Y316 HydrophobicContact CG1-CG 3.78Å; V311-Y316 VanDerWaalsContact O-CE2 3.25Å; V311-Y316 WeakPolarHBondContact O-CE2 3.49Å; V311-L319 HydrophobicContact CG1-CD1 4.15Å; V311-L367 HydrophobicContact CG1-CD2 4.3Å; V311-L367 HydrophobicContact CG2-CD2 3.65Å | ||
| 312 | D | 95.2 | Very high | 96.4 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 14% | 0.139 | 16% | 0.162 | C | C | . | . | trans | -88.8 | 175.8 | 178.7 | 73.4 | 65.5 | 0 | 0 | 0 | 112.9 | H310 A314 E315 Y316 Y352 Y357 | H310-D312 PolarHBondContact O-N 3.29Å; D312-A314 PolarHBondContact O-N 3.01Å; D312-A314 WeakPolarHBondContact OD1-CA 3.37Å; D312-A314 WeakPolarHBondContact OD1-CB 3.15Å; D312-A314 PolarHBondContact OD1-N 3.21Å; D312-E315 PolarHBondContact N-OE2 3.23Å; D312-E315 VanDerWaalsContact N-OE2 3.1Å; D312-E315 PolarHBondContact O-N 3.19Å; D312-E315 PolarHBondContact OD1-N 3.49Å; D312-E315 VanDerWaalsContact OD2-CG 3.28Å; D312-E315 WeakPolarHBondContact OD2-CG 3.3Å; D312-Y316 WeakPolarHBondContact O-CB 3.31Å; D312-Y316 WeakPolarHBondContact O-CD2 3.21Å; D312-Y316 PolarHBondContact O-N 2.97Å; D312-Y352 WeakPolarHBondContact OD2-CE1 3.38Å; D312-Y357 WeakPolarHBondContact OD2-CE2 3.21Å; D312-Y357 PolarHBondContact OD2-OH 2.96Å; D312-Y357 VanDerWaalsContact OD2-OH 3.12Å | ||
| 313 | S | 94.1 | Very high | 96.5 | Very high | 61 Ų | 61 | 30.2 Ų | 30.2 | 43% | 0.427 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.9 | -39 | -178.4 | 47.6 | 0 | 0 | 0 | 0 | 114.4 | S317 | S313-S317 PolarHBondContact O-N 2.99Å; S313-S317 PolarHBondContact O-OG 3.15Å; S313-S317 VanDerWaalsContact O-OG 3.05Å |
| 314 | A | 96.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.4 | -41.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I186 L190 D312 S317 C318 Y352 | I186-A314 HydrophobicContact CG2-CB 3.67Å; L190-A314 HydrophobicContact CD1-CB 4.2Å; L190-A314 HydrophobicContact CD2-CB 4.49Å; D312-A314 PolarHBondContact O-N 3.01Å; D312-A314 WeakPolarHBondContact OD1-CA 3.37Å; D312-A314 WeakPolarHBondContact OD1-CB 3.15Å; D312-A314 PolarHBondContact OD1-N 3.21Å; A314-S317 PolarHBondContact O-N 2.88Å; A314-C318 WeakPolarHBondContact O-CB 3.43Å; A314-C318 PolarHBondContact O-N 3.02Å; A314-Y352 HydrophobicContact CB-CD1 4.4Å; A314-Y352 HydrophobicContact CB-CD2 4.22Å; A314-Y352 HydrophobicContact CB-CE1 3.9Å; A314-Y352 HydrophobicContact CB-CE2 3.69Å |
| 315 | E | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.8 | -66.6 | 176.9 | 148.7 | 0 | 0 | 111.7 | V311 D312 C318 L319 L349 Y352 V353 Y357 R363 L367 | V311-E315 WeakPolarHBondContact CA-OE2 3.38Å; V311-E315 HydrophobicContact CG1-CB 3.62Å; D312-E315 PolarHBondContact N-OE2 3.23Å; D312-E315 VanDerWaalsContact N-OE2 3.1Å; D312-E315 PolarHBondContact O-N 3.19Å; D312-E315 PolarHBondContact OD1-N 3.49Å; D312-E315 VanDerWaalsContact OD2-CG 3.28Å; D312-E315 WeakPolarHBondContact OD2-CG 3.3Å; E315-C318 PolarHBondContact O-N 3.21Å; E315-L319 WeakPolarHBondContact O-CB 3.41Å; E315-L319 VanDerWaalsContact O-CG 3.26Å; E315-L319 WeakPolarHBondContact O-CG 3.25Å; E315-L319 PolarHBondContact O-N 3.23Å; E315-L349 HydrophobicContact CB-CD1 4.1Å; E315-L349 HydrophobicContact CG-CD1 3.93Å; E315-Y352 HydrophobicContact CG-CD1 4.05Å; E315-Y352 HydrophobicContact CG-CE1 3.99Å; E315-V353 HydrophobicContact CG-CG2 4.49Å; E315-Y357 WeakPolarHBondContact OE1-CE2 3.41Å; E315-R363 IonicContact OE1-CZ 3.45Å; E315-R363 IonicContact OE1-NE 2.7Å; E315-R363 PolarHBondContact OE1-NE 3.48Å; E315-R363 IonicContact OE1-NH2 3.33Å; E315-R363 PolarHBondContact OE1-NH2 2.95Å; E315-R363 IonicContact OE2-CZ 3.56Å; E315-R363 IonicContact OE2-NE 3.61Å; E315-R363 IonicContact OE2-NH2 2.69Å; E315-R363 PolarHBondContact OE2-NH2 3.07Å; E315-L367 HydrophobicContact CB-CD1 4.45Å; E315-L367 HydrophobicContact CG-CD1 4.14Å; E315-L367 WeakPolarHBondContact OE1-CD1 3.47Å |
| 316 | Y | 97.8 | Very high | 97 | Very high | 11 Ų | 11 | 21.8 Ų | 21.8 | 4% | 0.043 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.1 | -50.7 | 173.3 | -87.4 | -63.1 | 0 | 0 | 0 | 111.9 | L259 A262 Q263 V311 D312 C318 L319 K320 | L259-Y316 HydrophobicContact CD2-CD1 4.28Å; L259-Y316 HydrophobicContact CD2-CE1 4.36Å; A262-Y316 HydrophobicContact CB-CE1 4.13Å; A262-Y316 VanDerWaalsContact CB-OH 3.29Å; A262-Y316 WeakPolarHBondContact CB-OH 3.4Å; Q263-Y316 HydrophobicContact CB-CD1 4.04Å; Q263-Y316 HydrophobicContact CB-CD2 3.83Å; Q263-Y316 HydrophobicContact CB-CE1 4.03Å; Q263-Y316 HydrophobicContact CB-CE2 3.81Å; Q263-Y316 HydrophobicContact CB-CG 3.97Å; Q263-Y316 HydrophobicContact CG-CD2 3.6Å; Q263-Y316 HydrophobicContact CG-CE2 3.94Å; Q263-Y316 HydrophobicContact CG-CG 3.93Å; V311-Y316 HydrophobicContact CB-CD2 4.08Å; V311-Y316 HydrophobicContact CB-CE1 4.32Å; V311-Y316 HydrophobicContact CB-CE2 3.65Å; V311-Y316 HydrophobicContact CG1-CD1 4.02Å; V311-Y316 HydrophobicContact CG1-CD2 3.66Å; V311-Y316 HydrophobicContact CG1-CE1 4.09Å; V311-Y316 HydrophobicContact CG1-CE2 3.75Å; V311-Y316 HydrophobicContact CG1-CG 3.78Å; V311-Y316 VanDerWaalsContact O-CE2 3.25Å; V311-Y316 WeakPolarHBondContact O-CE2 3.49Å; D312-Y316 WeakPolarHBondContact O-CB 3.31Å; D312-Y316 WeakPolarHBondContact O-CD2 3.21Å; D312-Y316 PolarHBondContact O-N 2.97Å; Y316-C318 VanDerWaalsContact C-N 3.29Å; Y316-C318 PolarHBondContact O-N 2.97Å; Y316-L319 PolarHBondContact O-N 3.15Å; Y316-K320 VanDerWaalsContact O-CG 3.32Å; Y316-K320 WeakPolarHBondContact O-CG 3.22Å; Y316-K320 PolarHBondContact O-N 2.82Å |
| 317 | S | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.7 | -32.9 | -179.6 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | E193 W230 S313 A314 A321 | E193-S317 PolarHBondContact OE1-OG 3.36Å; W230-S317 WeakPolarHBondContact CZ2-O 3.37Å; S313-S317 PolarHBondContact O-N 2.99Å; S313-S317 PolarHBondContact O-OG 3.15Å; S313-S317 VanDerWaalsContact O-OG 3.05Å; A314-S317 PolarHBondContact O-N 2.88Å; S317-A321 PolarHBondContact O-N 2.94Å; S317-A321 VanDerWaalsContact O-N 3.15Å |
| 318 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 169.7 | -90.3 | 0 | 0 | 0 | 0 | 113 | A314 E315 Y316 K320 A321 I322 L349 | A314-C318 WeakPolarHBondContact O-CB 3.43Å; A314-C318 PolarHBondContact O-N 3.02Å; E315-C318 PolarHBondContact O-N 3.21Å; Y316-C318 VanDerWaalsContact C-N 3.29Å; Y316-C318 PolarHBondContact O-N 2.97Å; C318-K320 VanDerWaalsContact C-N 3.33Å; C318-K320 PolarHBondContact O-N 3.14Å; C318-A321 WeakPolarHBondContact O-CB 3.49Å; C318-A321 PolarHBondContact O-N 3.25Å; C318-A321 VanDerWaalsContact O-N 3.09Å; C318-I322 VanDerWaalsContact O-CG1 3.31Å; C318-I322 WeakPolarHBondContact O-CG1 3.5Å; C318-I322 PolarHBondContact O-N 3.39Å; C318-L349 HydrophobicContact CB-CB 3.95Å; C318-L349 HydrophobicContact CB-CD1 3.82Å; C318-L349 HydrophobicContact CB-CG 4.32Å |
| 319 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 177.8 | -71.8 | 167.9 | 0 | 0 | 0 | 111.4 | L259 V311 E315 Y316 A321 I322 V323 L349 L367 L371 | L259-L319 HydrophobicContact CD1-CB 4.25Å; L259-L319 HydrophobicContact CD2-CB 4.32Å; V311-L319 HydrophobicContact CG1-CD1 4.15Å; E315-L319 WeakPolarHBondContact O-CB 3.41Å; E315-L319 VanDerWaalsContact O-CG 3.26Å; E315-L319 WeakPolarHBondContact O-CG 3.25Å; E315-L319 PolarHBondContact O-N 3.23Å; Y316-L319 PolarHBondContact O-N 3.15Å; L319-A321 VanDerWaalsContact C-N 3.3Å; L319-A321 PolarHBondContact O-N 2.97Å; L319-I322 PolarHBondContact O-N 3.33Å; L319-V323 WeakPolarHBondContact O-CB 3.38Å; L319-V323 WeakPolarHBondContact O-CG2 3.43Å; L319-V323 PolarHBondContact O-N 3.1Å; L319-L349 HydrophobicContact CD2-CD2 3.91Å; L319-L349 HydrophobicContact CG-CD2 4.3Å; L319-L367 HydrophobicContact CD1-CD2 4.29Å; L319-L367 HydrophobicContact CD2-CB 4.3Å; L319-L371 HydrophobicContact CB-CD2 4.39Å; L319-L371 HydrophobicContact CD2-CD1 4.27Å; L319-L371 HydrophobicContact CD2-CD2 3.77Å; L319-L371 HydrophobicContact CD2-CG 4.15Å |
| 320 | K | 98.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 170.7 | -68.6 | 175 | -162 | -177.8 | 0 | 111.5 | E193 W230 L256 L259 N260 Y316 C318 V323 L324 | E193-K320 IonicContact OE1-NZ 3.62Å; E193-K320 PolarHBondContact OE1-NZ 3.35Å; E193-K320 IonicContact OE2-NZ 3.15Å; E193-K320 PolarHBondContact OE2-NZ 3.49Å; W230-K320 HydrophobicContact CD2-CD 4.27Å; W230-K320 HydrophobicContact CE3-CB 4.32Å; W230-K320 HydrophobicContact CE3-CD 4.4Å; W230-K320 HydrophobicContact CH2-CB 3.35Å; W230-K320 HydrophobicContact CH2-CD 4.42Å; W230-K320 HydrophobicContact CZ2-CB 3.83Å; W230-K320 HydrophobicContact CZ2-CD 4.23Å; W230-K320 HydrophobicContact CZ3-CB 3.62Å; W230-K320 HydrophobicContact CZ3-CD 4.49Å; L256-K320 HydrophobicContact CD2-CB 3.73Å; L256-K320 HydrophobicContact CD2-CG 3.98Å; L259-K320 HydrophobicContact CB-CG 4.37Å; L259-K320 HydrophobicContact CD1-CG 4Å; N260-K320 WeakPolarHBondContact OD1-CE 3.27Å; N260-K320 PolarHBondContact OD1-NZ 2.84Å; Y316-K320 VanDerWaalsContact O-CG 3.32Å; Y316-K320 WeakPolarHBondContact O-CG 3.22Å; Y316-K320 PolarHBondContact O-N 2.82Å; C318-K320 VanDerWaalsContact C-N 3.33Å; C318-K320 PolarHBondContact O-N 3.14Å; K320-V323 PolarHBondContact O-N 3.03Å; K320-L324 WeakPolarHBondContact O-CB 3.34Å; K320-L324 PolarHBondContact O-N 3.04Å |
| 321 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L189 W230 S317 C318 L319 V323 L324 F325 | L189-A321 HydrophobicContact CD1-CB 4.09Å; L189-A321 HydrophobicContact CD2-CB 4.39Å; W230-A321 HydrophobicContact CH2-CB 4.08Å; S317-A321 PolarHBondContact O-N 2.94Å; S317-A321 VanDerWaalsContact O-N 3.15Å; C318-A321 WeakPolarHBondContact O-CB 3.49Å; C318-A321 PolarHBondContact O-N 3.25Å; C318-A321 VanDerWaalsContact O-N 3.09Å; L319-A321 VanDerWaalsContact C-N 3.3Å; L319-A321 PolarHBondContact O-N 2.97Å; A321-V323 VanDerWaalsContact C-N 3.33Å; A321-V323 PolarHBondContact O-N 3.28Å; A321-L324 PolarHBondContact O-N 3.3Å; A321-F325 HydrophobicContact CB-CD2 4.32Å; A321-F325 HydrophobicContact CB-CE2 4.32Å; A321-F325 WeakPolarHBondContact O-CD2 3.47Å; A321-F325 PolarHBondContact O-N 3.17Å |
| 322 | I | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 175.8 | -62.3 | 163.5 | 0 | 0 | 0 | 110.9 | C318 L319 Q342 Q346 L349 L368 L371 | C318-I322 VanDerWaalsContact O-CG1 3.31Å; C318-I322 WeakPolarHBondContact O-CG1 3.5Å; C318-I322 PolarHBondContact O-N 3.39Å; L319-I322 PolarHBondContact O-N 3.33Å; I322-Q342 HydrophobicContact CG2-CG 4.16Å; I322-Q342 WeakPolarHBondContact O-CG 3.39Å; I322-Q342 PolarHBondContact O-NE2 3.05Å; I322-Q346 HydrophobicContact CD1-CG 3.94Å; I322-Q346 HydrophobicContact CG1-CG 3.92Å; I322-Q346 HydrophobicContact CG2-CG 4.08Å; I322-L349 HydrophobicContact CD1-CB 4.34Å; I322-L349 HydrophobicContact CD1-CD2 3.77Å; I322-L368 HydrophobicContact CD1-CD2 3.92Å; I322-L371 HydrophobicContact CB-CD1 4.24Å; I322-L371 HydrophobicContact CG2-CD1 3.58Å |
| 323 | V | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -49.5 | 174 | 162.5 | 0 | 0 | 0 | 0 | 111.3 | T252 E255 L256 L259 L319 K320 A321 L371 L374 | T252-V323 HydrophobicContact CG2-CG1 4.33Å; T252-V323 VanDerWaalsContact CG2-O 3.22Å; T252-V323 WeakPolarHBondContact CG2-O 3.33Å; E255-V323 HydrophobicContact CB-CG1 3.59Å; L256-V323 HydrophobicContact CD2-CB 4.41Å; L256-V323 HydrophobicContact CD2-CG1 3.99Å; L256-V323 HydrophobicContact CG-CG1 4.05Å; L259-V323 HydrophobicContact CD1-CG2 4.14Å; L319-V323 WeakPolarHBondContact O-CB 3.38Å; L319-V323 WeakPolarHBondContact O-CG2 3.43Å; L319-V323 PolarHBondContact O-N 3.1Å; K320-V323 PolarHBondContact O-N 3.03Å; A321-V323 VanDerWaalsContact C-N 3.33Å; A321-V323 PolarHBondContact O-N 3.28Å; V323-L371 HydrophobicContact CG2-CD2 3.64Å; V323-L374 HydrophobicContact CG2-CD1 4.12Å |
| 324 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | -174.4 | 177.8 | 60.2 | 0 | 0 | 0 | 113 | W230 A231 I234 F237 L248 L249 L256 K320 A321 T326 | W230-L324 HydrophobicContact CE3-CD2 4.49Å; W230-L324 HydrophobicContact CZ3-CD2 3.85Å; A231-L324 HydrophobicContact CB-CD2 3.69Å; I234-L324 HydrophobicContact CD1-CD2 3.77Å; F237-L324 HydrophobicContact CD2-CD1 4.3Å; F237-L324 HydrophobicContact CD2-CD2 3.79Å; F237-L324 HydrophobicContact CD2-CG 4.07Å; F237-L324 HydrophobicContact CE2-CD1 3.77Å; F237-L324 HydrophobicContact CE2-CD2 4.03Å; F237-L324 HydrophobicContact CE2-CG 4.05Å; F237-L324 HydrophobicContact CG-CD2 4.38Å; F237-L324 HydrophobicContact CZ-CD1 4.47Å; L248-L324 HydrophobicContact CB-CD1 4.2Å; L248-L324 WeakPolarHBondContact CD2-O 3.42Å; L249-L324 HydrophobicContact CD2-CD1 3.66Å; L249-L324 HydrophobicContact CG-CD1 3.84Å; L256-L324 HydrophobicContact CD1-CD1 4.29Å; K320-L324 WeakPolarHBondContact O-CB 3.34Å; K320-L324 PolarHBondContact O-N 3.04Å; A321-L324 PolarHBondContact O-N 3.3Å; L324-T326 PolarHBondContact O-N 3.06Å |
| 325 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -83.5 | 54.2 | 178.4 | -62.6 | -59.1 | 0 | 0 | 0 | 111.8 | I234 F237 L240 A321 V338 L341 Q342 | I234-F325 HydrophobicContact CD1-CE2 3.9Å; I234-F325 HydrophobicContact CD1-CZ 3.68Å; F237-F325 HydrophobicContact CB-CE1 4.03Å; F237-F325 HydrophobicContact CB-CZ 4.06Å; F237-F325 HydrophobicContact CD2-CE1 4.02Å; L240-F325 HydrophobicContact CD1-CE1 4.23Å; A321-F325 HydrophobicContact CB-CD2 4.32Å; A321-F325 HydrophobicContact CB-CE2 4.32Å; A321-F325 WeakPolarHBondContact O-CD2 3.47Å; A321-F325 PolarHBondContact O-N 3.17Å; F325-V338 HydrophobicContact CB-CG1 4.28Å; F325-L341 HydrophobicContact CB-CB 4.05Å; F325-L341 HydrophobicContact CD1-CB 3.82Å; F325-L341 HydrophobicContact CD1-CD1 3.75Å; F325-L341 HydrophobicContact CD1-CG 4.45Å; F325-L341 HydrophobicContact CD2-CB 3.85Å; F325-L341 HydrophobicContact CE1-CB 4.21Å; F325-L341 HydrophobicContact CE1-CD1 3.56Å; F325-L341 HydrophobicContact CE2-CB 4.24Å; F325-L341 HydrophobicContact CG-CB 3.64Å; F325-L341 HydrophobicContact CG-CD1 4.44Å; F325-L341 HydrophobicContact CZ-CB 4.4Å; F325-L341 HydrophobicContact CZ-CD1 4.1Å; F325-Q342 HydrophobicContact CB-CB 4.25Å; F325-Q342 HydrophobicContact CB-CG 4.48Å; F325-Q342 VanDerWaalsContact O-CB 3.24Å; F325-Q342 WeakPolarHBondContact O-CB 3.11Å; F325-Q342 VanDerWaalsContact O-CD 3.31Å; F325-Q342 WeakPolarHBondContact O-CG 3.35Å; F325-Q342 PolarHBondContact O-NE2 3.44Å |
| 326 | T | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | trans | -87.1 | 137.9 | 178.4 | -173 | 0 | 0 | 0 | 0 | 113 | L248 L251 T252 L324 D328 | L248-T326 HydrophobicContact CD2-CG2 4.29Å; L248-T326 WeakPolarHBondContact CD2-O 3.5Å; L251-T326 HydrophobicContact CD2-CG2 3.83Å; T252-T326 HydrophobicContact CG2-CG2 3.61Å; L324-T326 PolarHBondContact O-N 3.06Å; T326-D328 VanDerWaalsContact C-N 3.26Å; T326-D328 HydrophobicContact CG2-CB 4.28Å; T326-D328 WeakPolarHBondContact OG1-CB 3.38Å; T326-D328 PolarHBondContact OG1-N 3.14Å; T326-D328 VanDerWaalsContact OG1-N 3.16Å; T326-D328 PolarHBondContact OG1-OD2 3.06Å | ||
| 327 | T | 97.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 34.5 Ų | 34.5 | 31% | 0.307 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.2 | 170.2 | 50.4 | 0 | 0 | 0 | 0 | 113.2 | A329 V335 E339 | T327-A329 PolarHBondContact O-N 3.07Å; T327-V335 HydrophobicContact CG2-CG1 3.75Å; T327-E339 HydrophobicContact CG2-CB 3.8Å; T327-E339 HydrophobicContact CG2-CG 4.38Å |
| 328 | D | 96.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 34.5 Ų | 34.5 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.9 | 175.6 | -69.1 | -32.5 | 0 | 0 | 0 | 113.4 | L251 T326 C330 R375 | L251-D328 HydrophobicContact CD2-CB 3.69Å; T326-D328 VanDerWaalsContact C-N 3.26Å; T326-D328 HydrophobicContact CG2-CB 4.28Å; T326-D328 WeakPolarHBondContact OG1-CB 3.38Å; T326-D328 PolarHBondContact OG1-N 3.14Å; T326-D328 VanDerWaalsContact OG1-N 3.16Å; T326-D328 PolarHBondContact OG1-OD2 3.06Å; D328-C330 PolarHBondContact O-N 3.28Å; D328-R375 IonicContact OD2-CZ 2.65Å; D328-R375 VanDerWaalsContact OD2-CZ 3.24Å; D328-R375 IonicContact OD2-NH1 2.66Å; D328-R375 PolarHBondContact OD2-NH1 2.78Å; D328-R375 IonicContact OD2-NH2 2.81Å; D328-R375 PolarHBondContact OD2-NH2 2.88Å |
| 329 | A | 95.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -72.8 | 127.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A247 L248 L251 T327 G331 L332 | A247-A329 HydrophobicContact CB-CB 4.46Å; L248-A329 HydrophobicContact CD2-CB 3.84Å; L251-A329 HydrophobicContact CD2-CB 4.08Å; T327-A329 PolarHBondContact O-N 3.07Å; A329-G331 PolarHBondContact O-N 2.79Å; A329-L332 HydrophobicContact CB-CD1 4.1Å; A329-L332 HydrophobicContact CB-CD2 4.11Å; A329-L332 HydrophobicContact CB-CG 4Å; A329-L332 WeakPolarHBondContact O-CG 3.07Å |
| 330 | C | 93.9 | Very high | 97.2 | Very high | 124 Ų | 124 | 40.8 Ų | 40.8 | 84% | 0.838 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 129.4 | -179.6 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | D328 | D328-C330 PolarHBondContact O-N 3.28Š|
| 331 | G | 93.3 | Very high | 97.1 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 17.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | A329 | A329-G331 PolarHBondContact O-N 2.79Š|
| 332 | L | 96.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | trans | -57.4 | 139.7 | 170.7 | -66.4 | 174.5 | 0 | 0 | 0 | 111.9 | D244 L248 A329 V335 V338 | D244-L332 HydrophobicContact CB-CD2 3.88Å; L248-L332 HydrophobicContact CD1-CD2 4.47Å; L248-L332 HydrophobicContact CD2-CD1 4.34Å; L248-L332 HydrophobicContact CD2-CD2 3.87Å; L248-L332 HydrophobicContact CG-CD2 3.93Å; A329-L332 HydrophobicContact CB-CD1 4.1Å; A329-L332 HydrophobicContact CB-CD2 4.11Å; A329-L332 HydrophobicContact CB-CG 4Å; A329-L332 WeakPolarHBondContact O-CG 3.07Å; L332-V335 HydrophobicContact CB-CG2 4Å; L332-V338 HydrophobicContact CD1-CB 4.34Å; L332-V338 HydrophobicContact CD1-CG1 4.29Å; L332-V338 HydrophobicContact CD1-CG2 4.2Å; L332-V338 HydrophobicContact CD2-CG2 4.37Å | ||
| 333 | S | 96.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 42% | 0.42 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -81.6 | -33 | -177.8 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | Q241 D244 | Q241-S333 PolarHBondContact NE2-OG 2.95Å; D244-S333 WeakPolarHBondContact OD1-CB 3.13Å; D244-S333 PolarHBondContact OD1-N 3.05Å; D244-S333 PolarHBondContact OD1-OG 2.98Å; D244-S333 VanDerWaalsContact OD2-CB 3.29Å; D244-S333 WeakPolarHBondContact OD2-CB 3.19Å; D244-S333 PolarHBondContact OD2-N 3Å; D244-S333 PolarHBondContact OD2-OG 3.36Å |
| 334 | D | 95.6 | Very high | 97 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | trans | -139.1 | 85.4 | 174.5 | -168.9 | -17.8 | 0 | 0 | 0 | 110.8 | A336 H337 V338 | D334-A336 VanDerWaalsContact C-N 3.28Å; D334-A336 PolarHBondContact O-N 2.96Å; D334-A336 PolarHBondContact OD1-N 3.33Å; D334-H337 HydrophobicContact CB-CB 3.96Å; D334-H337 VanDerWaalsContact CG-CB 3.44Å; D334-H337 PolarHBondContact O-N 3.35Å; D334-H337 PolarHBondContact OD1-N 3.28Å; D334-V338 PolarHBondContact O-N 2.85Å; D334-V338 VanDerWaalsContact O-N 3.14Å | ||
| 335 | V | 97.8 | Very high | 96.9 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 179 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | T327 L332 H337 V338 E339 | T327-V335 HydrophobicContact CG2-CG1 3.75Å; L332-V335 HydrophobicContact CB-CG2 4Å; V335-H337 VanDerWaalsContact C-N 3.35Å; V335-H337 PolarHBondContact O-N 2.9Å; V335-V338 PolarHBondContact O-N 3.44Å; V335-E339 WeakPolarHBondContact O-CB 3.44Å; V335-E339 PolarHBondContact O-N 3.33Å |
| 336 | A | 97.4 | Very high | 96.9 | Very high | 63 Ų | 63 | 51.2 Ų | 51.2 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -32.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D334 S340 | D334-A336 VanDerWaalsContact C-N 3.28Å; D334-A336 PolarHBondContact O-N 2.96Å; D334-A336 PolarHBondContact OD1-N 3.33Å; A336-S340 PolarHBondContact O-N 3Å; A336-S340 VanDerWaalsContact O-N 3.1Å |
| 337 | H | 96.8 | Very high | 96.9 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 170.1 | -173.2 | 32.6 | 0 | 0 | 0 | 111.4 | D334 V335 E339 S340 L341 | D334-H337 HydrophobicContact CB-CB 3.96Å; D334-H337 VanDerWaalsContact CG-CB 3.44Å; D334-H337 PolarHBondContact O-N 3.35Å; D334-H337 PolarHBondContact OD1-N 3.28Å; V335-H337 VanDerWaalsContact C-N 3.35Å; V335-H337 PolarHBondContact O-N 2.9Å; H337-E339 VanDerWaalsContact C-N 3.34Å; H337-E339 PolarHBondContact O-N 3.47Å; H337-S340 PolarHBondContact ND1-OG 2.95Å; H337-S340 PolarHBondContact O-N 3.21Å; H337-S340 VanDerWaalsContact O-N 3.14Å; H337-S340 PolarHBondContact O-OG 3.34Å; H337-L341 WeakPolarHBondContact O-CG 3.33Å; H337-L341 PolarHBondContact O-N 3.48Å; H337-L341 VanDerWaalsContact O-N 3.14Å |
| 338 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 178 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | L248 F325 L332 D334 V335 S340 L341 Q342 | L248-V338 HydrophobicContact CD2-CG1 4.19Å; F325-V338 HydrophobicContact CB-CG1 4.28Å; L332-V338 HydrophobicContact CD1-CB 4.34Å; L332-V338 HydrophobicContact CD1-CG1 4.29Å; L332-V338 HydrophobicContact CD1-CG2 4.2Å; L332-V338 HydrophobicContact CD2-CG2 4.37Å; D334-V338 PolarHBondContact O-N 2.85Å; D334-V338 VanDerWaalsContact O-N 3.14Å; V335-V338 PolarHBondContact O-N 3.44Å; V338-S340 VanDerWaalsContact C-N 3.35Å; V338-S340 PolarHBondContact O-N 3.47Å; V338-L341 WeakPolarHBondContact O-CA 3.14Å; V338-L341 WeakPolarHBondContact O-CB 3.41Å; V338-L341 PolarHBondContact O-N 3.16Å; V338-Q342 PolarHBondContact O-N 3.38Å |
| 339 | E | 98 | Very high | 97 | Very high | 100 Ų | 100 | 47.6 Ų | 47.6 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.7 | -48.6 | 173 | -169.6 | 169.5 | -134.1 | 0 | 0 | 111.6 | T327 V335 H337 L341 Q342 E343 | T327-E339 HydrophobicContact CG2-CB 3.8Å; T327-E339 HydrophobicContact CG2-CG 4.38Å; V335-E339 WeakPolarHBondContact O-CB 3.44Å; V335-E339 PolarHBondContact O-N 3.33Å; H337-E339 VanDerWaalsContact C-N 3.34Å; H337-E339 PolarHBondContact O-N 3.47Å; E339-L341 PolarHBondContact O-N 3.11Å; E339-Q342 WeakPolarHBondContact O-CA 3.33Å; E339-Q342 WeakPolarHBondContact O-CB 3.07Å; E339-Q342 PolarHBondContact O-N 3.04Å; E339-E343 PolarHBondContact O-N 3.21Å |
| 340 | S | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.2 | -20 | 177.2 | 79.8 | 0 | 0 | 0 | 0 | 114.5 | A336 H337 V338 K344 | A336-S340 PolarHBondContact O-N 3Å; A336-S340 VanDerWaalsContact O-N 3.1Å; H337-S340 PolarHBondContact ND1-OG 2.95Å; H337-S340 PolarHBondContact O-N 3.21Å; H337-S340 VanDerWaalsContact O-N 3.14Å; H337-S340 PolarHBondContact O-OG 3.34Å; V338-S340 VanDerWaalsContact C-N 3.35Å; V338-S340 PolarHBondContact O-N 3.47Å; S340-K344 VanDerWaalsContact O-CB 3.29Å; S340-K344 WeakPolarHBondContact O-CB 3.25Å; S340-K344 PolarHBondContact O-N 3.01Å |
| 341 | L | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -83.1 | -35 | 171.8 | -60.8 | -178.7 | 0 | 0 | 0 | 111.3 | F236 L240 F325 H337 V338 E339 K344 S345 | F236-L341 HydrophobicContact CB-CD1 3.69Å; F236-L341 HydrophobicContact CB-CD2 3.66Å; F236-L341 HydrophobicContact CB-CG 4.33Å; F236-L341 HydrophobicContact CD1-CD2 4.24Å; F236-L341 HydrophobicContact CD2-CD2 3.66Å; F236-L341 HydrophobicContact CE2-CD2 4.43Å; F236-L341 HydrophobicContact CG-CD2 3.56Å; L240-L341 HydrophobicContact CD2-CD1 4.25Å; F325-L341 HydrophobicContact CB-CB 4.05Å; F325-L341 HydrophobicContact CD1-CB 3.82Å; F325-L341 HydrophobicContact CD1-CD1 3.75Å; F325-L341 HydrophobicContact CD1-CG 4.45Å; F325-L341 HydrophobicContact CD2-CB 3.85Å; F325-L341 HydrophobicContact CE1-CB 4.21Å; F325-L341 HydrophobicContact CE1-CD1 3.56Å; F325-L341 HydrophobicContact CE2-CB 4.24Å; F325-L341 HydrophobicContact CG-CB 3.64Å; F325-L341 HydrophobicContact CG-CD1 4.44Å; F325-L341 HydrophobicContact CZ-CB 4.4Å; F325-L341 HydrophobicContact CZ-CD1 4.1Å; H337-L341 WeakPolarHBondContact O-CG 3.33Å; H337-L341 PolarHBondContact O-N 3.48Å; H337-L341 VanDerWaalsContact O-N 3.14Å; V338-L341 WeakPolarHBondContact O-CA 3.14Å; V338-L341 WeakPolarHBondContact O-CB 3.41Å; V338-L341 PolarHBondContact O-N 3.16Å; E339-L341 PolarHBondContact O-N 3.11Å; L341-K344 VanDerWaalsContact CD2-NZ 3.3Å; L341-S345 WeakPolarHBondContact O-CB 3.35Å; L341-S345 PolarHBondContact O-N 2.87Å; L341-S345 VanDerWaalsContact O-N 3.1Å; L341-S345 PolarHBondContact O-OG 3.38Å |
| 342 | Q | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -50.5 | 172.5 | -146.3 | -174.2 | 44.6 | 0 | 0 | 111.5 | I322 F325 V338 E339 K344 S345 Q346 | I322-Q342 HydrophobicContact CG2-CG 4.16Å; I322-Q342 WeakPolarHBondContact O-CG 3.39Å; I322-Q342 PolarHBondContact O-NE2 3.05Å; F325-Q342 HydrophobicContact CB-CB 4.25Å; F325-Q342 HydrophobicContact CB-CG 4.48Å; F325-Q342 VanDerWaalsContact O-CB 3.24Å; F325-Q342 WeakPolarHBondContact O-CB 3.11Å; F325-Q342 VanDerWaalsContact O-CD 3.31Å; F325-Q342 WeakPolarHBondContact O-CG 3.35Å; F325-Q342 PolarHBondContact O-NE2 3.44Å; V338-Q342 PolarHBondContact O-N 3.38Å; E339-Q342 WeakPolarHBondContact O-CA 3.33Å; E339-Q342 WeakPolarHBondContact O-CB 3.07Å; E339-Q342 PolarHBondContact O-N 3.04Å; Q342-K344 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 2.97Å; Q342-S345 WeakPolarHBondContact O-CA 3.26Å; Q342-S345 WeakPolarHBondContact O-CB 3.42Å; Q342-S345 PolarHBondContact O-N 3.4Å; Q342-Q346 WeakPolarHBondContact O-CG 3.32Å; Q342-Q346 PolarHBondContact O-N 3.48Å |
| 343 | E | 97.6 | Very high | 97.2 | Very high | 113 Ų | 113 | 45 Ų | 45 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.5 | -47 | 175.9 | -71.3 | -172 | 141.1 | 0 | 0 | 111.4 | E339 S345 Q346 C347 | E339-E343 PolarHBondContact O-N 3.21Å; E343-S345 VanDerWaalsContact C-N 3.26Å; E343-S345 PolarHBondContact O-N 3.3Å; E343-Q346 PolarHBondContact O-N 2.8Å; E343-C347 WeakPolarHBondContact O-CB 3.45Å; E343-C347 PolarHBondContact O-N 3.36Å; E343-C347 PolarHBondContact O-SG 2.88Å; E343-C347 VanDerWaalsContact O-SG 3.34Å |
| 344 | K | 96 | Very high | 97.1 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 7% | 0.074 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.9 | -37.7 | 176.8 | -174.3 | -169.5 | -57.3 | 166.7 | 0 | 112.2 | Y181 F236 S340 L341 Q342 A348 | Y181-K344 HydrophobicContact CE1-CD 4.38Å; F236-K344 HydrophobicContact CD2-CD 4.49Å; F236-K344 HydrophobicContact CE2-CD 3.77Å; F236-K344 HydrophobicContact CZ-CD 4.29Å; S340-K344 VanDerWaalsContact O-CB 3.29Å; S340-K344 WeakPolarHBondContact O-CB 3.25Å; S340-K344 PolarHBondContact O-N 3.01Å; L341-K344 VanDerWaalsContact CD2-NZ 3.3Å; Q342-K344 VanDerWaalsContact C-N 3.31Å; Q342-K344 PolarHBondContact O-N 2.97Å; K344-A348 WeakPolarHBondContact O-CB 3.36Å; K344-A348 PolarHBondContact O-N 3.33Å |
| 345 | S | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.1 | -38.6 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | Y185 L341 Q342 E343 L349 | Y185-S345 PolarHBondContact OH-OG 3.18Å; L341-S345 WeakPolarHBondContact O-CB 3.35Å; L341-S345 PolarHBondContact O-N 2.87Å; L341-S345 VanDerWaalsContact O-N 3.1Å; L341-S345 PolarHBondContact O-OG 3.38Å; Q342-S345 WeakPolarHBondContact O-CA 3.26Å; Q342-S345 WeakPolarHBondContact O-CB 3.42Å; Q342-S345 PolarHBondContact O-N 3.4Å; E343-S345 VanDerWaalsContact C-N 3.26Å; E343-S345 PolarHBondContact O-N 3.3Å; S345-L349 PolarHBondContact O-N 3.26Å; S345-L349 VanDerWaalsContact O-N 3.09Å |
| 346 | Q | 98.2 | Very high | 96.8 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.1 | -48.2 | 173.7 | -65.8 | 174.7 | 18.2 | 0 | 0 | 111.5 | I322 Q342 E343 A348 L349 E350 F364 | I322-Q346 HydrophobicContact CD1-CG 3.94Å; I322-Q346 HydrophobicContact CG1-CG 3.92Å; I322-Q346 HydrophobicContact CG2-CG 4.08Å; Q342-Q346 WeakPolarHBondContact O-CG 3.32Å; Q342-Q346 PolarHBondContact O-N 3.48Å; E343-Q346 PolarHBondContact O-N 2.8Å; Q346-A348 VanDerWaalsContact C-N 3.31Å; Q346-A348 PolarHBondContact O-N 3.3Å; Q346-L349 PolarHBondContact O-N 3.08Å; Q346-L349 VanDerWaalsContact O-N 3.15Å; Q346-E350 PolarHBondContact O-N 3.39Å; Q346-F364 WeakPolarHBondContact O-CE2 3.42Å |
| 347 | C | 97.5 | Very high | 96.6 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 44% | 0.439 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 175.7 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | L182 E343 E351 | L182-C347 HydrophobicContact CD1-CB 4.46Å; E343-C347 WeakPolarHBondContact O-CB 3.45Å; E343-C347 PolarHBondContact O-N 3.36Å; E343-C347 PolarHBondContact O-SG 2.88Å; E343-C347 VanDerWaalsContact O-SG 3.34Å; C347-E351 VanDerWaalsContact O-CB 3.26Å; C347-E351 WeakPolarHBondContact O-CB 3.48Å; C347-E351 PolarHBondContact O-N 3.26Å |
| 348 | A | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L182 Y185 I186 K344 Q346 E351 Y352 | L182-A348 HydrophobicContact CB-CB 4.37Å; L182-A348 HydrophobicContact CD2-CB 4.08Å; Y185-A348 HydrophobicContact CD1-CB 3.89Å; Y185-A348 HydrophobicContact CE1-CB 4.34Å; I186-A348 HydrophobicContact CD1-CB 4.16Å; I186-A348 HydrophobicContact CG1-CB 4.07Å; K344-A348 WeakPolarHBondContact O-CB 3.36Å; K344-A348 PolarHBondContact O-N 3.33Å; Q346-A348 VanDerWaalsContact C-N 3.31Å; Q346-A348 PolarHBondContact O-N 3.3Å; A348-E351 PolarHBondContact O-N 3.15Å; A348-Y352 VanDerWaalsContact O-CB 3.31Å; A348-Y352 WeakPolarHBondContact O-CB 3.38Å; A348-Y352 PolarHBondContact O-N 2.85Å |
| 349 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.6 | -176.7 | 62.7 | 0 | 0 | 0 | 112.1 | E315 C318 L319 I322 S345 Q346 E351 Y352 V353 F364 L367 L368 | E315-L349 HydrophobicContact CB-CD1 4.1Å; E315-L349 HydrophobicContact CG-CD1 3.93Å; C318-L349 HydrophobicContact CB-CB 3.95Å; C318-L349 HydrophobicContact CB-CD1 3.82Å; C318-L349 HydrophobicContact CB-CG 4.32Å; L319-L349 HydrophobicContact CD2-CD2 3.91Å; L319-L349 HydrophobicContact CG-CD2 4.3Å; I322-L349 HydrophobicContact CD1-CB 4.34Å; I322-L349 HydrophobicContact CD1-CD2 3.77Å; S345-L349 PolarHBondContact O-N 3.26Å; S345-L349 VanDerWaalsContact O-N 3.09Å; Q346-L349 PolarHBondContact O-N 3.08Å; Q346-L349 VanDerWaalsContact O-N 3.15Å; L349-E351 VanDerWaalsContact C-N 3.34Å; L349-E351 PolarHBondContact O-N 3.46Å; L349-Y352 PolarHBondContact O-N 3.18Å; L349-V353 HydrophobicContact CD1-CG2 4.09Å; L349-V353 HydrophobicContact CG-CG2 4.4Å; L349-V353 WeakPolarHBondContact O-CB 3.43Å; L349-V353 VanDerWaalsContact O-CG2 3.23Å; L349-V353 WeakPolarHBondContact O-CG2 3.24Å; L349-V353 PolarHBondContact O-N 3.4Å; L349-F364 HydrophobicContact CB-CD2 4.4Å; L349-F364 HydrophobicContact CB-CE2 4.14Å; L349-F364 HydrophobicContact CD2-CD2 4.2Å; L349-F364 HydrophobicContact CD2-CE2 4.2Å; L349-F364 HydrophobicContact CG-CD2 3.99Å; L349-F364 HydrophobicContact CG-CE2 4.15Å; L349-L367 HydrophobicContact CD1-CD1 4.16Å; L349-L368 HydrophobicContact CD2-CD2 4.18Å |
| 350 | E | 97.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 55.9 Ų | 55.9 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 178 | -159.8 | -152.7 | 140.7 | 0 | 0 | 110.8 | Q346 V353 R354 F364 | Q346-E350 PolarHBondContact O-N 3.39Å; E350-V353 PolarHBondContact O-N 2.91Å; E350-R354 VanDerWaalsContact O-CB 3.29Å; E350-R354 WeakPolarHBondContact O-CB 3.44Å; E350-R354 PolarHBondContact O-N 3.41Å; E350-R354 IonicContact OE1-CZ 3.46Å; E350-R354 IonicContact OE1-NE 3.41Å; E350-R354 PolarHBondContact OE1-NE 3.29Å; E350-R354 IonicContact OE1-NH2 2.71Å; E350-R354 PolarHBondContact OE1-NH2 3.45Å; E350-R354 IonicContact OE2-NH2 3.68Å; E350-F364 VanDerWaalsContact CA-CD2 3.5Å; E350-F364 HydrophobicContact CB-CD1 4.3Å; E350-F364 HydrophobicContact CB-CD2 3.8Å; E350-F364 HydrophobicContact CB-CE1 4.11Å; E350-F364 HydrophobicContact CB-CE2 3.59Å; E350-F364 HydrophobicContact CB-CG 4.14Å; E350-F364 HydrophobicContact CB-CZ 3.74Å; E350-F364 HydrophobicContact CG-CD1 3.77Å; E350-F364 HydrophobicContact CG-CD2 4.07Å; E350-F364 HydrophobicContact CG-CE1 3.84Å; E350-F364 HydrophobicContact CG-CE2 4.15Å; E350-F364 HydrophobicContact CG-CG 3.86Å; E350-F364 HydrophobicContact CG-CZ 4.02Å |
| 351 | E | 94.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 15% | 0.15 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 179.2 | -170.6 | 56.3 | -121.3 | 0 | 0 | 112.1 | H179 L182 C347 A348 L349 R354 S355 | H179-E351 VanDerWaalsContact CE1-CD 3.48Å; H179-E351 IonicContact CE1-OE1 3.1Å; H179-E351 PolarHBondContact CE1-OE1 3.39Å; H179-E351 IonicContact CE1-OE2 3.54Å; H179-E351 IonicContact ND1-OE1 2.9Å; H179-E351 PolarHBondContact ND1-OE1 3.15Å; H179-E351 IonicContact ND1-OE2 2.81Å; H179-E351 PolarHBondContact ND1-OE2 2.92Å; L182-E351 HydrophobicContact CD1-CB 3.93Å; L182-E351 HydrophobicContact CD1-CG 4.11Å; C347-E351 VanDerWaalsContact O-CB 3.26Å; C347-E351 WeakPolarHBondContact O-CB 3.48Å; C347-E351 PolarHBondContact O-N 3.26Å; A348-E351 PolarHBondContact O-N 3.15Å; L349-E351 VanDerWaalsContact C-N 3.34Å; L349-E351 PolarHBondContact O-N 3.46Å; E351-R354 PolarHBondContact O-N 2.91Å; E351-R354 IonicContact OE1-NH1 3.07Å; E351-R354 PolarHBondContact OE1-NH1 2.93Å; E351-R354 VanDerWaalsContact OE1-NH1 3.07Å; E351-R354 IonicContact OE2-CZ 3.67Å; E351-R354 IonicContact OE2-NH1 2.7Å; E351-R354 PolarHBondContact OE2-NH1 3.16Å; E351-R354 IonicContact OE2-NH2 3.73Å; E351-S355 VanDerWaalsContact O-CB 3.31Å; E351-S355 WeakPolarHBondContact O-CB 3.23Å; E351-S355 PolarHBondContact O-N 2.97Å |
| 352 | Y | 96.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 176.7 | -177.5 | -92.4 | 0 | 0 | 0 | 111.7 | I186 D312 A314 E315 A348 L349 R354 S355 Q356 Y357 | I186-Y352 HydrophobicContact CD1-CD2 3.91Å; I186-Y352 HydrophobicContact CD1-CG 4.05Å; D312-Y352 WeakPolarHBondContact OD2-CE1 3.38Å; A314-Y352 HydrophobicContact CB-CD1 4.4Å; A314-Y352 HydrophobicContact CB-CD2 4.22Å; A314-Y352 HydrophobicContact CB-CE1 3.9Å; A314-Y352 HydrophobicContact CB-CE2 3.69Å; E315-Y352 HydrophobicContact CG-CD1 4.05Å; E315-Y352 HydrophobicContact CG-CE1 3.99Å; A348-Y352 VanDerWaalsContact O-CB 3.31Å; A348-Y352 WeakPolarHBondContact O-CB 3.38Å; A348-Y352 PolarHBondContact O-N 2.85Å; L349-Y352 PolarHBondContact O-N 3.18Å; Y352-R354 PolarHBondContact O-N 3.39Å; Y352-S355 PolarHBondContact O-N 3.38Å; Y352-Q356 HydrophobicContact CD1-CG 4.31Å; Y352-Q356 HydrophobicContact CD2-CG 4.04Å; Y352-Q356 HydrophobicContact CE1-CB 4.28Å; Y352-Q356 HydrophobicContact CE1-CG 3.95Å; Y352-Q356 HydrophobicContact CE2-CG 3.67Å; Y352-Q356 HydrophobicContact CG-CG 4.34Å; Y352-Q356 WeakPolarHBondContact O-CB 3.29Å; Y352-Q356 WeakPolarHBondContact O-CG 3.41Å; Y352-Q356 PolarHBondContact O-N 3.18Å; Y352-Y357 HydrophobicContact CE1-CE2 4.36Å |
| 353 | V | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 178.9 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | E315 L349 E350 S355 Y357 R363 F364 L367 | E315-V353 HydrophobicContact CG-CG2 4.49Å; L349-V353 HydrophobicContact CD1-CG2 4.09Å; L349-V353 HydrophobicContact CG-CG2 4.4Å; L349-V353 WeakPolarHBondContact O-CB 3.43Å; L349-V353 VanDerWaalsContact O-CG2 3.23Å; L349-V353 WeakPolarHBondContact O-CG2 3.24Å; L349-V353 PolarHBondContact O-N 3.4Å; E350-V353 PolarHBondContact O-N 2.91Å; V353-S355 VanDerWaalsContact C-N 3.27Å; V353-S355 PolarHBondContact O-N 3.47Å; V353-Y357 CarbonylContact O-C 3.58Å; V353-Y357 WeakPolarHBondContact O-CA 3.47Å; V353-Y357 WeakPolarHBondContact O-CB 3.42Å; V353-Y357 PolarHBondContact O-N 3.28Å; V353-R363 HydrophobicContact CG1-CB 3.71Å; V353-R363 HydrophobicContact CG1-CG 4Å; V353-F364 HydrophobicContact CB-CB 4.46Å; V353-F364 HydrophobicContact CG1-CB 4.14Å; V353-L367 HydrophobicContact CG2-CD1 3.83Å |
| 354 | R | 94.4 | Very high | 95.9 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -32.9 | 178.9 | -152.4 | -173.2 | -42.8 | 105.1 | -7.2 | 112.2 | E350 E351 Y352 | E350-R354 VanDerWaalsContact O-CB 3.29Å; E350-R354 WeakPolarHBondContact O-CB 3.44Å; E350-R354 PolarHBondContact O-N 3.41Å; E350-R354 IonicContact OE1-CZ 3.46Å; E350-R354 IonicContact OE1-NE 3.41Å; E350-R354 PolarHBondContact OE1-NE 3.29Å; E350-R354 IonicContact OE1-NH2 2.71Å; E350-R354 PolarHBondContact OE1-NH2 3.45Å; E350-R354 IonicContact OE2-NH2 3.68Å; E351-R354 PolarHBondContact O-N 2.91Å; E351-R354 IonicContact OE1-NH1 3.07Å; E351-R354 PolarHBondContact OE1-NH1 2.93Å; E351-R354 VanDerWaalsContact OE1-NH1 3.07Å; E351-R354 IonicContact OE2-CZ 3.67Å; E351-R354 IonicContact OE2-NH1 2.7Å; E351-R354 PolarHBondContact OE2-NH1 3.16Å; E351-R354 IonicContact OE2-NH2 3.73Å; Y352-R354 PolarHBondContact O-N 3.39Å |
| 355 | S | 92.1 | Very high | 96 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -78.1 | -48 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 113.4 | E351 Y352 V353 | E351-S355 VanDerWaalsContact O-CB 3.31Å; E351-S355 WeakPolarHBondContact O-CB 3.23Å; E351-S355 PolarHBondContact O-N 2.97Å; Y352-S355 PolarHBondContact O-N 3.38Å; V353-S355 VanDerWaalsContact C-N 3.27Å; V353-S355 PolarHBondContact O-N 3.47Å |
| 356 | Q | 94.5 | Very high | 96 | Very high | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -89.9 | -27.7 | -172.3 | -58.4 | -55 | -76.4 | 0 | 0 | 113.2 | Y352 P358 | Y352-Q356 HydrophobicContact CD1-CG 4.31Å; Y352-Q356 HydrophobicContact CD2-CG 4.04Å; Y352-Q356 HydrophobicContact CE1-CB 4.28Å; Y352-Q356 HydrophobicContact CE1-CG 3.95Å; Y352-Q356 HydrophobicContact CE2-CG 3.67Å; Y352-Q356 HydrophobicContact CG-CG 4.34Å; Y352-Q356 WeakPolarHBondContact O-CB 3.29Å; Y352-Q356 WeakPolarHBondContact O-CG 3.41Å; Y352-Q356 PolarHBondContact O-N 3.18Å; Q356-P358 WeakPolarHBondContact O-CD 3.33Å |
| 357 | Y | 94 | Very high | 96 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | trans | -123.2 | 53.4 | -178.1 | -58.7 | -73.5 | 0 | 0 | 0 | 112.9 | D312 E315 Y352 V353 N359 Q360 | D312-Y357 WeakPolarHBondContact OD2-CE2 3.21Å; D312-Y357 PolarHBondContact OD2-OH 2.96Å; D312-Y357 VanDerWaalsContact OD2-OH 3.12Å; E315-Y357 WeakPolarHBondContact OE1-CE2 3.41Å; Y352-Y357 HydrophobicContact CE1-CE2 4.36Å; V353-Y357 CarbonylContact O-C 3.58Å; V353-Y357 WeakPolarHBondContact O-CA 3.47Å; V353-Y357 WeakPolarHBondContact O-CB 3.42Å; V353-Y357 PolarHBondContact O-N 3.28Å; Y357-N359 PolarHBondContact O-N 3.34Å; Y357-N359 VanDerWaalsContact O-N 3.08Å; Y357-Q360 PolarHBondContact O-N 3.35Å | ||
| 358 | P | 92.9 | Very high | 96.1 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.3 | -177.8 | 26 | -35.6 | 0 | 0 | 0 | 113.2 | Q356 Q360 | Q356-P358 WeakPolarHBondContact O-CD 3.33Å; P358-Q360 VanDerWaalsContact C-N 3.27Å; P358-Q360 PolarHBondContact O-N 3.22Å |
| 359 | N | 94.9 | Very high | 96.1 | Very high | 155 Ų | 155 | 66.7 Ų | 66.7 | 83% | 0.829 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1.7 | 175.6 | -63 | -24.7 | 0 | 0 | 0 | 113.9 | Y357 P361 | Y357-N359 PolarHBondContact O-N 3.34Å; Y357-N359 VanDerWaalsContact O-N 3.08Å; N359-P361 VanDerWaalsContact C-CD 3.46Å |
| 360 | Q | 95.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 69.1 Ų | 69.1 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -124.7 | 62.8 | 179.5 | -54.1 | -176.2 | 38.9 | 0 | 0 | 111.7 | Y357 P358 T362 R363 | Y357-Q360 PolarHBondContact O-N 3.35Å; P358-Q360 VanDerWaalsContact C-N 3.27Å; P358-Q360 PolarHBondContact O-N 3.22Å; Q360-T362 PolarHBondContact O-N 3.45Å; Q360-R363 HydrophobicContact CB-CB 3.86Å; Q360-R363 WeakPolarHBondContact O-CB 3.32Å; Q360-R363 PolarHBondContact O-N 3.32Å; Q360-R363 VanDerWaalsContact OE1-NH1 3.1Å | ||
| 361 | P | 93.3 | Very high | 96 | Very high | 118 Ų | 118 | 66.7 Ų | 66.7 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.4 | -174.4 | 24.1 | -35.4 | 0 | 0 | 0 | 114.8 | N359 | N359-P361 VanDerWaalsContact C-CD 3.46Š|
| 362 | T | 97.2 | Very high | 96.1 | Very high | 83 Ų | 83 | 69.4 Ų | 69.4 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -4.8 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | Q360 F364 G365 K366 | Q360-T362 PolarHBondContact O-N 3.45Å; T362-F364 PolarHBondContact O-N 3.26Å; T362-G365 PolarHBondContact O-N 2.92Å; T362-K366 WeakPolarHBondContact O-CG 3.45Å; T362-K366 PolarHBondContact O-N 3.46Å; T362-K366 WeakPolarHBondContact OG1-CE 3.44Å; T362-K366 PolarHBondContact OG1-NZ 3.35Å |
| 363 | R | 97.9 | Very high | 96 | Very high | 11 Ų | 11 | 68 Ų | 68 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | -170.4 | -176.9 | 174.9 | -176.1 | 88.1 | 2.5 | 112.7 | L309 H310 E315 V353 Q360 G365 K366 L367 | L309-R363 PolarHBondContact O-NH1 2.96Å; L309-R363 PolarHBondContact O-NH2 2.88Å; H310-R363 PolarHBondContact O-NH2 3.48Å; E315-R363 IonicContact OE1-CZ 3.45Å; E315-R363 IonicContact OE1-NE 2.7Å; E315-R363 PolarHBondContact OE1-NE 3.48Å; E315-R363 IonicContact OE1-NH2 3.33Å; E315-R363 PolarHBondContact OE1-NH2 2.95Å; E315-R363 IonicContact OE2-CZ 3.56Å; E315-R363 IonicContact OE2-NE 3.61Å; E315-R363 IonicContact OE2-NH2 2.69Å; E315-R363 PolarHBondContact OE2-NH2 3.07Å; V353-R363 HydrophobicContact CG1-CB 3.71Å; V353-R363 HydrophobicContact CG1-CG 4Å; Q360-R363 HydrophobicContact CB-CB 3.86Å; Q360-R363 WeakPolarHBondContact O-CB 3.32Å; Q360-R363 PolarHBondContact O-N 3.32Å; Q360-R363 VanDerWaalsContact OE1-NH1 3.1Å; R363-G365 PolarHBondContact O-N 3.13Å; R363-K366 WeakPolarHBondContact O-CB 3.44Å; R363-K366 PolarHBondContact O-N 2.86Å; R363-K366 VanDerWaalsContact O-N 3.11Å; R363-L367 HydrophobicContact CG-CD1 4.06Å; R363-L367 HydrophobicContact CG-CG 4.34Å; R363-L367 VanDerWaalsContact O-CG 3.31Å; R363-L367 WeakPolarHBondContact O-CG 3.37Å; R363-L367 PolarHBondContact O-N 3.28Å |
| 364 | F | 98.4 | Very high | 95.9 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 20% | 0.202 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.5 | -50.8 | 177.6 | 174.7 | -113.1 | 0 | 0 | 0 | 111.9 | Q346 L349 E350 V353 T362 K366 L367 L368 | Q346-F364 WeakPolarHBondContact O-CE2 3.42Å; L349-F364 HydrophobicContact CB-CD2 4.4Å; L349-F364 HydrophobicContact CB-CE2 4.14Å; L349-F364 HydrophobicContact CD2-CD2 4.2Å; L349-F364 HydrophobicContact CD2-CE2 4.2Å; L349-F364 HydrophobicContact CG-CD2 3.99Å; L349-F364 HydrophobicContact CG-CE2 4.15Å; E350-F364 VanDerWaalsContact CA-CD2 3.5Å; E350-F364 HydrophobicContact CB-CD1 4.3Å; E350-F364 HydrophobicContact CB-CD2 3.8Å; E350-F364 HydrophobicContact CB-CE1 4.11Å; E350-F364 HydrophobicContact CB-CE2 3.59Å; E350-F364 HydrophobicContact CB-CG 4.14Å; E350-F364 HydrophobicContact CB-CZ 3.74Å; E350-F364 HydrophobicContact CG-CD1 3.77Å; E350-F364 HydrophobicContact CG-CD2 4.07Å; E350-F364 HydrophobicContact CG-CE1 3.84Å; E350-F364 HydrophobicContact CG-CE2 4.15Å; E350-F364 HydrophobicContact CG-CG 3.86Å; E350-F364 HydrophobicContact CG-CZ 4.02Å; V353-F364 HydrophobicContact CB-CB 4.46Å; V353-F364 HydrophobicContact CG1-CB 4.14Å; T362-F364 PolarHBondContact O-N 3.26Å; F364-K366 PolarHBondContact O-N 3.31Å; F364-L367 PolarHBondContact O-N 2.91Å; F364-L368 HydrophobicContact CD1-CD1 4.37Å; F364-L368 HydrophobicContact CD2-CG 4.48Å; F364-L368 HydrophobicContact CE1-CD1 3.73Å; F364-L368 HydrophobicContact CE2-CD1 3.92Å; F364-L368 HydrophobicContact CE2-CD2 4.43Å; F364-L368 HydrophobicContact CE2-CG 4.14Å; F364-L368 HydrophobicContact CZ-CD1 3.49Å; F364-L368 VanDerWaalsContact CZ-CD1 3.49Å; F364-L368 HydrophobicContact CZ-CG 4.22Å; F364-L368 PolarHBondContact O-N 2.86Å |
| 365 | G | 98.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 34% | 0.34 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | T362 R363 L367 L368 L369 | T362-G365 PolarHBondContact O-N 2.92Å; R363-G365 PolarHBondContact O-N 3.13Å; G365-L367 VanDerWaalsContact C-N 3.34Å; G365-L367 PolarHBondContact O-N 2.9Å; G365-L368 PolarHBondContact O-N 2.85Å; G365-L369 VanDerWaalsContact O-CB 3.26Å; G365-L369 WeakPolarHBondContact O-CB 3.4Å; G365-L369 WeakPolarHBondContact O-CD1 3.39Å; G365-L369 WeakPolarHBondContact O-CG 3.34Å; G365-L369 PolarHBondContact O-N 3.07Å |
| 366 | K | 98.1 | Very high | 96 | Very high | 105 Ų | 105 | 68.6 Ų | 68.6 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 176 | -74.1 | 173.9 | 178.2 | 177.3 | 0 | 112.7 | L309 T362 R363 F364 | L309-K366 HydrophobicContact CD2-CB 4.22Å; L309-K366 HydrophobicContact CD2-CD 4.32Å; T362-K366 WeakPolarHBondContact O-CG 3.45Å; T362-K366 PolarHBondContact O-N 3.46Å; T362-K366 WeakPolarHBondContact OG1-CE 3.44Å; T362-K366 PolarHBondContact OG1-NZ 3.35Å; R363-K366 WeakPolarHBondContact O-CB 3.44Å; R363-K366 PolarHBondContact O-N 2.86Å; R363-K366 VanDerWaalsContact O-N 3.11Å; F364-K366 PolarHBondContact O-N 3.31Å |
| 367 | L | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -51.3 | 177.2 | -66.2 | 168.9 | 0 | 0 | 0 | 111.2 | L309 V311 E315 L319 L349 V353 R363 F364 G365 L369 R370 | L309-L367 HydrophobicContact CD1-CD2 4.29Å; V311-L367 HydrophobicContact CG1-CD2 4.3Å; V311-L367 HydrophobicContact CG2-CD2 3.65Å; E315-L367 HydrophobicContact CB-CD1 4.45Å; E315-L367 HydrophobicContact CG-CD1 4.14Å; E315-L367 WeakPolarHBondContact OE1-CD1 3.47Å; L319-L367 HydrophobicContact CD1-CD2 4.29Å; L319-L367 HydrophobicContact CD2-CB 4.3Å; L349-L367 HydrophobicContact CD1-CD1 4.16Å; V353-L367 HydrophobicContact CG2-CD1 3.83Å; R363-L367 HydrophobicContact CG-CD1 4.06Å; R363-L367 HydrophobicContact CG-CG 4.34Å; R363-L367 VanDerWaalsContact O-CG 3.31Å; R363-L367 WeakPolarHBondContact O-CG 3.37Å; R363-L367 PolarHBondContact O-N 3.28Å; F364-L367 PolarHBondContact O-N 2.91Å; G365-L367 VanDerWaalsContact C-N 3.34Å; G365-L367 PolarHBondContact O-N 2.9Å; L367-L369 VanDerWaalsContact C-N 3.28Å; L367-L369 PolarHBondContact O-N 2.81Å; L367-R370 WeakPolarHBondContact O-CB 3.45Å; L367-R370 PolarHBondContact O-N 3.16Å |
| 368 | L | 98.3 | Very high | 95.8 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 177 | -67.5 | -171.9 | 0 | 0 | 0 | 112.2 | I322 L349 F364 G365 R370 L371 P372 | I322-L368 HydrophobicContact CD1-CD2 3.92Å; L349-L368 HydrophobicContact CD2-CD2 4.18Å; F364-L368 HydrophobicContact CD1-CD1 4.37Å; F364-L368 HydrophobicContact CD2-CG 4.48Å; F364-L368 HydrophobicContact CE1-CD1 3.73Å; F364-L368 HydrophobicContact CE2-CD1 3.92Å; F364-L368 HydrophobicContact CE2-CD2 4.43Å; F364-L368 HydrophobicContact CE2-CG 4.14Å; F364-L368 HydrophobicContact CZ-CD1 3.49Å; F364-L368 VanDerWaalsContact CZ-CD1 3.49Å; F364-L368 HydrophobicContact CZ-CG 4.22Å; F364-L368 PolarHBondContact O-N 2.86Å; G365-L368 PolarHBondContact O-N 2.85Å; L368-R370 PolarHBondContact O-N 3.13Å; L368-L371 HydrophobicContact CD2-CD1 4.16Å; L368-L371 WeakPolarHBondContact O-CB 3.49Å; L368-L371 PolarHBondContact O-N 3.06Å; L368-P372 WeakPolarHBondContact O-CD 3.36Å |
| 369 | L | 97.5 | Very high | 95.9 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 61% | 0.613 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -5.7 | 175 | -74.5 | 170.1 | 0 | 0 | 0 | 114 | G365 L367 | G365-L369 VanDerWaalsContact O-CB 3.26Å; G365-L369 WeakPolarHBondContact O-CB 3.4Å; G365-L369 WeakPolarHBondContact O-CD1 3.39Å; G365-L369 WeakPolarHBondContact O-CG 3.34Å; G365-L369 PolarHBondContact O-N 3.07Å; L367-L369 VanDerWaalsContact C-N 3.28Å; L367-L369 PolarHBondContact O-N 2.81Å |
| 370 | R | 97.6 | Very high | 95.6 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -30.2 | 167.7 | -58.5 | -62.4 | 74.7 | -126.7 | -8 | 113 | L306 L309 L367 L368 S373 L374 | L306-R370 HydrophobicContact CD2-CB 4.03Å; L306-R370 HydrophobicContact CD2-CG 4.04Å; L309-R370 HydrophobicContact CD1-CG 3.65Å; L367-R370 WeakPolarHBondContact O-CB 3.45Å; L367-R370 PolarHBondContact O-N 3.16Å; L368-R370 PolarHBondContact O-N 3.13Å; R370-S373 PolarHBondContact NH1-OG 3.21Å; R370-S373 VanDerWaalsContact NH1-OG 3.1Å; R370-S373 PolarHBondContact NH2-OG 3.12Å; R370-S373 WeakPolarHBondContact O-CA 3.44Å; R370-S373 VanDerWaalsContact O-CB 3.26Å; R370-S373 WeakPolarHBondContact O-CB 3.5Å; R370-S373 PolarHBondContact O-N 2.89Å; R370-L374 PolarHBondContact O-N 3.36Å |
| 371 | L | 97 | Very high | 95.3 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -48.6 | -173.7 | -56.5 | -177.1 | 0 | 0 | 0 | 112.9 | L319 I322 V323 L368 S373 L374 | L319-L371 HydrophobicContact CB-CD2 4.39Å; L319-L371 HydrophobicContact CD2-CD1 4.27Å; L319-L371 HydrophobicContact CD2-CD2 3.77Å; L319-L371 HydrophobicContact CD2-CG 4.15Å; I322-L371 HydrophobicContact CB-CD1 4.24Å; I322-L371 HydrophobicContact CG2-CD1 3.58Å; V323-L371 HydrophobicContact CG2-CD2 3.64Å; L368-L371 HydrophobicContact CD2-CD1 4.16Å; L368-L371 WeakPolarHBondContact O-CB 3.49Å; L368-L371 PolarHBondContact O-N 3.06Å; L371-S373 PolarHBondContact O-N 2.91Å; L371-S373 VanDerWaalsContact O-N 3.07Å; L371-L374 HydrophobicContact CD2-CD1 3.85Å; L371-L374 WeakPolarHBondContact O-CB 3.14Å; L371-L374 WeakPolarHBondContact O-CG 3.25Å; L371-L374 PolarHBondContact O-N 2.92Å |
| 372 | P | 95.9 | Very high | 95.2 | Very high | 89 Ų | 89 | 47 Ų | 47 | 58% | 0.578 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.4 | -20.1 | 176.2 | -21.2 | 34 | 0 | 0 | 0 | 114 | L368 | L368-P372 WeakPolarHBondContact O-CD 3.36Å |
| 373 | S | 94.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -78.8 | -23.9 | 176.2 | -50.1 | 0 | 0 | 0 | 0 | 112.5 | R370 L371 R375 T376 | R370-S373 PolarHBondContact NH1-OG 3.21Å; R370-S373 VanDerWaalsContact NH1-OG 3.1Å; R370-S373 PolarHBondContact NH2-OG 3.12Å; R370-S373 WeakPolarHBondContact O-CA 3.44Å; R370-S373 VanDerWaalsContact O-CB 3.26Å; R370-S373 WeakPolarHBondContact O-CB 3.5Å; R370-S373 PolarHBondContact O-N 2.89Å; L371-S373 PolarHBondContact O-N 2.91Å; L371-S373 VanDerWaalsContact O-N 3.07Å; S373-R375 VanDerWaalsContact C-N 3.3Å; S373-R375 PolarHBondContact O-N 3.48Å; S373-T376 WeakPolarHBondContact O-CB 3.48Å; S373-T376 WeakPolarHBondContact O-CG2 3.43Å; S373-T376 PolarHBondContact O-N 3.34Å; S373-T376 PolarHBondContact O-OG1 3.47Å |
| 374 | L | 94.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 178 | -55.5 | -180 | 0 | 0 | 0 | 110.9 | E255 V258 L259 L306 V323 R370 L371 T376 V377 | E255-L374 HydrophobicContact CB-CB 4.15Å; E255-L374 HydrophobicContact CB-CD1 4.08Å; E255-L374 HydrophobicContact CG-CB 3.88Å; V258-L374 HydrophobicContact CB-CD2 4.29Å; V258-L374 HydrophobicContact CG1-CD2 3.76Å; L259-L374 HydrophobicContact CD1-CD1 4.21Å; L259-L374 HydrophobicContact CD2-CD1 4.14Å; L259-L374 HydrophobicContact CD2-CD2 4.5Å; L259-L374 HydrophobicContact CG-CD1 3.97Å; L306-L374 HydrophobicContact CD1-CD2 4.1Å; V323-L374 HydrophobicContact CG2-CD1 4.12Å; R370-L374 PolarHBondContact O-N 3.36Å; L371-L374 HydrophobicContact CD2-CD1 3.85Å; L371-L374 WeakPolarHBondContact O-CB 3.14Å; L371-L374 WeakPolarHBondContact O-CG 3.25Å; L371-L374 PolarHBondContact O-N 2.92Å; L374-T376 PolarHBondContact O-N 2.68Å; L374-V377 PolarHBondContact O-N 3.32Å |
| 375 | R | 93.4 | Very high | 93.7 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -10.3 | 176.8 | -63.8 | -177.1 | 178.7 | -172.6 | -1.9 | 114.9 | E255 D328 S373 V377 | E255-R375 HydrophobicContact CG-CG 4.27Å; E255-R375 WeakPolarHBondContact OE1-CG 3.21Å; E255-R375 IonicContact OE1-CZ 3.94Å; E255-R375 IonicContact OE1-NE 3.14Å; E255-R375 PolarHBondContact OE1-NE 2.87Å; E255-R375 IonicContact OE1-NH2 3.95Å; E255-R375 PolarHBondContact OE1-NH2 2.91Å; D328-R375 IonicContact OD2-CZ 2.65Å; D328-R375 VanDerWaalsContact OD2-CZ 3.24Å; D328-R375 IonicContact OD2-NH1 2.66Å; D328-R375 PolarHBondContact OD2-NH1 2.78Å; D328-R375 IonicContact OD2-NH2 2.81Å; D328-R375 PolarHBondContact OD2-NH2 2.88Å; S373-R375 VanDerWaalsContact C-N 3.3Å; S373-R375 PolarHBondContact O-N 3.48Å; R375-V377 VanDerWaalsContact C-N 3.28Å |
| 376 | T | 94.2 | Very high | 93.2 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -17.7 | 171.4 | 67.1 | 0 | 0 | 0 | 0 | 113 | Q302 S373 L374 | Q302-T376 PolarHBondContact NE2-OG1 2.93Å; S373-T376 WeakPolarHBondContact O-CB 3.48Å; S373-T376 WeakPolarHBondContact O-CG2 3.43Å; S373-T376 PolarHBondContact O-N 3.34Å; S373-T376 PolarHBondContact O-OG1 3.47Å; L374-T376 PolarHBondContact O-N 2.68Å |
| 377 | V | 94.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -93 | 104.8 | 174.6 | -171.3 | 0 | 0 | 0 | 0 | 108.6 | V258 I298 F299 Q302 L374 R375 I382 | V258-V377 HydrophobicContact CG2-CB 3.94Å; V258-V377 HydrophobicContact CG2-CG1 4.04Å; V258-V377 HydrophobicContact CG2-CG2 4.09Å; I298-V377 HydrophobicContact CG2-CG2 4.42Å; F299-V377 HydrophobicContact CB-CG1 3.96Å; F299-V377 HydrophobicContact CB-CG2 4.25Å; F299-V377 HydrophobicContact CD2-CG1 3.9Å; F299-V377 HydrophobicContact CD2-CG2 4.11Å; F299-V377 HydrophobicContact CG-CG1 3.97Å; Q302-V377 HydrophobicContact CB-CG2 4.37Å; Q302-V377 HydrophobicContact CG-CG2 3.87Å; L374-V377 PolarHBondContact O-N 3.32Å; R375-V377 VanDerWaalsContact C-N 3.28Å; V377-I382 HydrophobicContact CG1-CD1 3.87Å; V377-I382 HydrophobicContact CG1-CG1 3.87Å |
| 378 | S | 91.1 | Very high | 92.1 | Very high | 50 Ų | 50 | 44 Ų | 44 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | trans | -64.1 | 139.6 | -179.7 | -176.8 | 0 | 0 | 0 | 0 | 111.9 | S380 V381 I382 | S378-S380 VanDerWaalsContact C-N 3.27Å; S378-S380 PolarHBondContact O-N 3.47Å; S378-S380 PolarHBondContact OG-N 2.92Å; S378-S380 PolarHBondContact OG-OG 3.37Å; S378-V381 WeakPolarHBondContact O-CB 3.43Å; S378-V381 PolarHBondContact O-N 2.87Å; S378-V381 VanDerWaalsContact O-N 3.11Å; S378-I382 PolarHBondContact O-N 3.11Å | ||
| 379 | S | 93.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51.6 | -47.7 | 168.1 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | V381 I382 E383 | S379-V381 PolarHBondContact O-N 3.49Å; S379-V381 VanDerWaalsContact O-N 3.16Å; S379-I382 WeakPolarHBondContact O-CA 3.31Å; S379-I382 WeakPolarHBondContact O-CB 3.47Å; S379-I382 PolarHBondContact O-N 3.17Å; S379-E383 WeakPolarHBondContact O-CG 3.28Å; S379-E383 PolarHBondContact O-N 3.04Å |
| 380 | S | 89.4 | Confident | 90.4 | Very high | 48 Ų | 48 | 46.9 Ų | 46.9 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -28.1 | 178.6 | 71.1 | 0 | 0 | 0 | 0 | 114.5 | S378 Q384 | S378-S380 VanDerWaalsContact C-N 3.27Å; S378-S380 PolarHBondContact O-N 3.47Å; S378-S380 PolarHBondContact OG-N 2.92Å; S378-S380 PolarHBondContact OG-OG 3.37Å; S380-Q384 WeakPolarHBondContact O-CB 3.34Å; S380-Q384 WeakPolarHBondContact O-CG 3.22Å; S380-Q384 PolarHBondContact O-N 3.01Å; S380-Q384 VanDerWaalsContact O-N 3.12Å; S380-Q384 PolarHBondContact O-NE2 3.17Å |
| 381 | V | 88.3 | Confident | 89.7 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.4 | -43.6 | 174.2 | 162.5 | 0 | 0 | 0 | 0 | 110.3 | H295 S378 S379 E383 Q384 L385 | H295-V381 HydrophobicContact CB-CG1 3.84Å; H295-V381 HydrophobicContact CB-CG2 3.84Å; S378-V381 WeakPolarHBondContact O-CB 3.43Å; S378-V381 PolarHBondContact O-N 2.87Å; S378-V381 VanDerWaalsContact O-N 3.11Å; S379-V381 PolarHBondContact O-N 3.49Å; S379-V381 VanDerWaalsContact O-N 3.16Å; V381-E383 VanDerWaalsContact C-N 3.32Å; V381-E383 PolarHBondContact O-N 3.46Å; V381-Q384 PolarHBondContact O-N 2.97Å; V381-L385 HydrophobicContact CG1-CD1 3.66Å; V381-L385 HydrophobicContact CG1-CG 4.36Å; V381-L385 WeakPolarHBondContact O-CB 3.13Å; V381-L385 VanDerWaalsContact O-CG 3.23Å; V381-L385 WeakPolarHBondContact O-CG 3.22Å; V381-L385 PolarHBondContact O-N 3.21Å |
| 382 | I | 92 | Very high | 89 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175 | -62.8 | 168.2 | 0 | 0 | 0 | 110 | W253 F257 V258 V377 S378 S379 L385 F386 F387 | W253-I382 HydrophobicContact CH2-CB 4.17Å; W253-I382 HydrophobicContact CH2-CG2 3.98Å; W253-I382 HydrophobicContact CZ3-CB 4.24Å; W253-I382 HydrophobicContact CZ3-CG2 3.65Å; F257-I382 HydrophobicContact CD1-CD1 3.98Å; F257-I382 HydrophobicContact CD1-CG1 4.3Å; F257-I382 HydrophobicContact CD1-CG2 3.62Å; F257-I382 HydrophobicContact CD2-CG2 4.36Å; F257-I382 HydrophobicContact CE1-CG2 3.63Å; F257-I382 HydrophobicContact CE2-CG2 4.37Å; F257-I382 HydrophobicContact CG-CG2 4.01Å; F257-I382 HydrophobicContact CZ-CG2 4.03Å; V258-I382 HydrophobicContact CG2-CD1 4.24Å; V377-I382 HydrophobicContact CG1-CD1 3.87Å; V377-I382 HydrophobicContact CG1-CG1 3.87Å; S378-I382 PolarHBondContact O-N 3.11Å; S379-I382 WeakPolarHBondContact O-CA 3.31Å; S379-I382 WeakPolarHBondContact O-CB 3.47Å; S379-I382 PolarHBondContact O-N 3.17Å; I382-L385 PolarHBondContact O-N 2.88Å; I382-F386 HydrophobicContact CG2-CD2 4.04Å; I382-F386 WeakPolarHBondContact O-CD2 3.36Å; I382-F386 PolarHBondContact O-N 3.21Å; I382-F386 VanDerWaalsContact O-N 3.15Å; I382-F387 HydrophobicContact CG2-CD2 4.24Å; I382-F387 HydrophobicContact CG2-CE2 3.84Å |
| 383 | E | 90.6 | Very high | 88.2 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -57.7 | -51.3 | 174.1 | -68.2 | -167.8 | 130.3 | 0 | 0 | 112.2 | W253 S379 V381 L385 F386 F387 V388 I396 | W253-E383 HydrophobicContact CH2-CG 3.79Å; W253-E383 HydrophobicContact CZ2-CG 3.93Å; S379-E383 WeakPolarHBondContact O-CG 3.28Å; S379-E383 PolarHBondContact O-N 3.04Å; V381-E383 VanDerWaalsContact C-N 3.32Å; V381-E383 PolarHBondContact O-N 3.46Å; E383-L385 PolarHBondContact O-N 3.4Å; E383-F386 PolarHBondContact O-N 3.31Å; E383-F387 WeakPolarHBondContact O-CA 3.47Å; E383-F387 PolarHBondContact O-N 3.49Å; E383-V388 PolarHBondContact O-N 3.42Å; E383-I396 HydrophobicContact CG-CG1 3.83Å; E383-I396 WeakPolarHBondContact OE1-CG1 3.46Å; E383-I396 PolarHBondContact OE1-N 3.42Å |
| 384 | Q | 85.8 | Confident | 87.8 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -64.4 | -36.9 | -179.3 | -73.3 | 168.5 | 45.1 | 0 | 0 | 113.3 | F292 S380 V381 | F292-Q384 HydrophobicContact CE2-CB 3.99Å; F292-Q384 HydrophobicContact CZ-CB 4.44Å; S380-Q384 WeakPolarHBondContact O-CB 3.34Å; S380-Q384 WeakPolarHBondContact O-CG 3.22Å; S380-Q384 PolarHBondContact O-N 3.01Å; S380-Q384 VanDerWaalsContact O-N 3.12Å; S380-Q384 PolarHBondContact O-NE2 3.17Å; V381-Q384 PolarHBondContact O-N 2.97Å |
| 385 | L | 85.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -71.3 | -37 | -179.7 | -75.4 | 168 | 0 | 0 | 0 | 113.3 | L273 F292 I296 F299 V381 I382 E383 | L273-L385 HydrophobicContact CB-CD2 3.94Å; L273-L385 HydrophobicContact CD1-CD2 4.45Å; L273-L385 HydrophobicContact CD2-CD2 4.27Å; L273-L385 HydrophobicContact CG-CD2 4.44Å; F292-L385 HydrophobicContact CE1-CD2 3.54Å; F292-L385 HydrophobicContact CE1-CG 4.46Å; F292-L385 HydrophobicContact CZ-CD2 3.44Å; F292-L385 VanDerWaalsContact CZ-CD2 3.44Å; F292-L385 HydrophobicContact CZ-CG 3.89Å; I296-L385 HydrophobicContact CD1-CD2 4.09Å; I296-L385 HydrophobicContact CG1-CD2 3.67Å; F299-L385 HydrophobicContact CD1-CD1 4.24Å; V381-L385 HydrophobicContact CG1-CD1 3.66Å; V381-L385 HydrophobicContact CG1-CG 4.36Å; V381-L385 WeakPolarHBondContact O-CB 3.13Å; V381-L385 VanDerWaalsContact O-CG 3.23Å; V381-L385 WeakPolarHBondContact O-CG 3.22Å; V381-L385 PolarHBondContact O-N 3.21Å; I382-L385 PolarHBondContact O-N 2.88Å; E383-L385 PolarHBondContact O-N 3.4Å |
| 386 | F | 87.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -127.4 | -31.1 | -165.4 | -55.1 | -65.2 | 0 | 0 | 0 | 115.6 | I216 C217 A220 F257 M266 L268 L273 F299 I382 E383 | I216-F386 HydrophobicContact CG2-CD1 4.13Å; I216-F386 HydrophobicContact CG2-CE1 3.76Å; C217-F386 PolarHBondContact SG-O 3.17Å; C217-F386 VanDerWaalsContact SG-O 3.4Å; A220-F386 HydrophobicContact CB-CB 3.54Å; A220-F386 HydrophobicContact CB-CD1 3.91Å; A220-F386 HydrophobicContact CB-CD2 4.42Å; A220-F386 HydrophobicContact CB-CG 3.69Å; F257-F386 HydrophobicContact CE1-CD2 4.01Å; F257-F386 AromaticContact CE1-CE2 3.95Å; F257-F386 HydrophobicContact CE1-CE2 3.95Å; F257-F386 AromaticContact CZ-CD2 3.8Å; F257-F386 HydrophobicContact CZ-CD2 3.8Å; F257-F386 HydrophobicContact CZ-CE2 4.09Å; F257-F386 HydrophobicContact CZ-CG 4.35Å; M266-F386 HydrophobicContact CE-CD1 3.75Å; M266-F386 HydrophobicContact CE-CE1 3.3Å; M266-F386 HydrophobicContact CE-CE2 4.32Å; M266-F386 HydrophobicContact CE-CG 4.42Å; M266-F386 HydrophobicContact CE-CZ 3.65Å; M266-F386 HydrophobicContact SD-CZ 4.41Å; L268-F386 HydrophobicContact CD2-CZ 3.9Å; L273-F386 HydrophobicContact CD2-CD1 4.45Å; L273-F386 HydrophobicContact CD2-CE1 3.49Å; L273-F386 VanDerWaalsContact CD2-CE1 3.49Å; L273-F386 HydrophobicContact CD2-CZ 3.89Å; F299-F386 HydrophobicContact CD1-CE2 4.33Å; F299-F386 HydrophobicContact CD1-CZ 4.48Å; F299-F386 AromaticContact CE1-CE2 3.63Å; F299-F386 HydrophobicContact CE1-CE2 3.63Å; F299-F386 AromaticContact CE1-CZ 3.79Å; F299-F386 HydrophobicContact CE1-CZ 3.79Å; I382-F386 HydrophobicContact CG2-CD2 4.04Å; I382-F386 WeakPolarHBondContact O-CD2 3.36Å; I382-F386 PolarHBondContact O-N 3.21Å; I382-F386 VanDerWaalsContact O-N 3.15Å; E383-F386 PolarHBondContact O-N 3.31Å |
| 387 | F | 88.4 | Confident | 87 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -109.6 | -29.6 | -163.4 | -66.2 | -80.8 | 0 | 0 | 0 | 114.2 | A220 A221 L224 W253 F257 I382 E383 R389 L390 V391 I396 | A220-F387 HydrophobicContact CB-CE2 4.4Å; A220-F387 HydrophobicContact CB-CZ 4.12Å; A221-F387 HydrophobicContact CB-CE1 4.44Å; L224-F387 HydrophobicContact CB-CE1 4.04Å; L224-F387 HydrophobicContact CB-CZ 3.79Å; L224-F387 HydrophobicContact CD2-CD1 4.24Å; L224-F387 HydrophobicContact CD2-CE1 3.52Å; L224-F387 HydrophobicContact CD2-CZ 3.81Å; L224-F387 HydrophobicContact CG-CE1 4.43Å; L224-F387 HydrophobicContact CG-CZ 4.39Å; W253-F387 HydrophobicContact CZ3-CE2 4.46Å; F257-F387 HydrophobicContact CD2-CE2 4.38Å; F257-F387 HydrophobicContact CD2-CZ 4.34Å; F257-F387 AromaticContact CE2-CE2 3.86Å; F257-F387 HydrophobicContact CE2-CE2 3.86Å; F257-F387 AromaticContact CE2-CZ 3.82Å; F257-F387 HydrophobicContact CE2-CZ 3.82Å; F257-F387 HydrophobicContact CZ-CE2 4.28Å; I382-F387 HydrophobicContact CG2-CD2 4.24Å; I382-F387 HydrophobicContact CG2-CE2 3.84Å; E383-F387 WeakPolarHBondContact O-CA 3.47Å; E383-F387 PolarHBondContact O-N 3.49Å; F387-R389 PolarHBondContact O-N 3.07Å; F387-R389 VanDerWaalsContact O-N 3.11Å; F387-L390 WeakPolarHBondContact O-CA 3.35Å; F387-L390 PolarHBondContact O-N 2.73Å; F387-V391 HydrophobicContact CB-CG2 4.25Å; F387-V391 WeakPolarHBondContact O-CG2 3.24Å; F387-V391 PolarHBondContact O-N 3.01Å; F387-I396 HydrophobicContact CB-CD1 3.94Å; F387-I396 HydrophobicContact CB-CG1 4.42Å; F387-I396 HydrophobicContact CD1-CD1 3.74Å; F387-I396 HydrophobicContact CD2-CD1 4.45Å; F387-I396 HydrophobicContact CE1-CD1 4.37Å; F387-I396 HydrophobicContact CG-CD1 3.78Å; F387-I396 HydrophobicContact CG-CG1 4.28Å |
| 388 | V | 84.5 | Confident | 86.7 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -54 | -34.9 | 178 | 167.2 | 0 | 0 | 0 | 0 | 112.5 | E383 L390 G392 | E383-V388 PolarHBondContact O-N 3.42Å; V388-L390 VanDerWaalsContact C-N 3.33Å; V388-L390 PolarHBondContact O-N 3.24Å; V388-G392 VanDerWaalsContact O-CA 3.29Å; V388-G392 WeakPolarHBondContact O-CA 3.44Å; V388-G392 PolarHBondContact O-N 3.4Å; V388-G392 VanDerWaalsContact O-N 3.15Å |
| 389 | R | 78.6 | Confident | 86.5 | Confident | 131 Ų | 131 | 50.7 Ų | 50.7 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.9 | -19.9 | 174.7 | -76.5 | -167.9 | 60.6 | -177.7 | -5.1 | 115 | E214 A276 F387 | E214-R389 IonicContact OE1-CZ 3.14Å; E214-R389 IonicContact OE1-NH1 2.66Å; E214-R389 IonicContact OE1-NH2 2.7Å; E214-R389 PolarHBondContact OE1-NH2 3.44Å; A276-R389 VanDerWaalsContact O-CD 3.28Å; A276-R389 WeakPolarHBondContact O-CD 3.31Å; F387-R389 PolarHBondContact O-N 3.07Å; F387-R389 VanDerWaalsContact O-N 3.11Å |
| 390 | L | 81.8 | Confident | 86.3 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -104.2 | -37.3 | -174.1 | -62.2 | 179.7 | 0 | 0 | 0 | 112.9 | C217 A221 F387 V388 | C217-L390 HydrophobicContact CB-CD1 4.13Å; C217-L390 HydrophobicContact CB-CD2 4.44Å; C217-L390 HydrophobicContact CB-CG 4.36Å; A221-L390 HydrophobicContact CB-CD1 3.86Å; F387-L390 WeakPolarHBondContact O-CA 3.35Å; F387-L390 PolarHBondContact O-N 2.73Å; V388-L390 VanDerWaalsContact C-N 3.33Å; V388-L390 PolarHBondContact O-N 3.24Å |
| 391 | V | 82.9 | Confident | 86.2 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -123.5 | 3.9 | -172.3 | -50.4 | 0 | 0 | 0 | 0 | 113.3 | F387 K393 T394 I396 L399 | F387-V391 HydrophobicContact CB-CG2 4.25Å; F387-V391 WeakPolarHBondContact O-CG2 3.24Å; F387-V391 PolarHBondContact O-N 3.01Å; V391-K393 PolarHBondContact O-N 2.85Å; V391-T394 WeakPolarHBondContact CG2-O 3.35Å; V391-T394 WeakPolarHBondContact O-CB 3.27Å; V391-T394 PolarHBondContact O-N 2.8Å; V391-T394 PolarHBondContact O-OG1 2.88Å; V391-I396 HydrophobicContact CG2-CD1 4.22Å; V391-L399 HydrophobicContact CB-CD1 3.9Å; V391-L399 HydrophobicContact CG1-CD1 3.57Å; V391-L399 HydrophobicContact CG2-CD1 4.05Å |
| 392 | G | 81.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -117.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V388 | V388-G392 VanDerWaalsContact O-CA 3.29Å; V388-G392 WeakPolarHBondContact O-CA 3.44Å; V388-G392 PolarHBondContact O-N 3.4Å; V388-G392 VanDerWaalsContact O-N 3.15Å |
| 393 | K | 79.1 | Confident | 85.9 | Confident | 211 Ų | 211 | 57.4 Ų | 57.4 | 92% | 0.917 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.3 | 179.2 | -64 | -179.4 | 179.9 | 175.9 | 0 | 113.2 | V391 P395 | V391-K393 PolarHBondContact O-N 2.85Å; K393-P395 WeakPolarHBondContact O-CD 3.29Å |
| 394 | T | 85 | Confident | 85.5 | Confident | 60 Ų | 60 | 56 Ų | 56 | 37% | 0.368 | 29% | 0.286 | S | S | . | . | trans | -80.2 | 116.3 | -177.5 | -45.7 | 0 | 0 | 0 | 0 | 109.8 | V391 T398 L399 | V391-T394 WeakPolarHBondContact CG2-O 3.35Å; V391-T394 WeakPolarHBondContact O-CB 3.27Å; V391-T394 PolarHBondContact O-N 2.8Å; V391-T394 PolarHBondContact O-OG1 2.88Å; T394-T398 HydrophobicContact CG2-CG2 4.38Å; T394-L399 HydrophobicContact CG2-CD2 3.89Å; T394-L399 HydrophobicContact CG2-CG 4.16Å | ||
| 395 | P | 87.3 | Confident | 85 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | trans | -64.5 | 142 | 180 | -20.6 | 32.9 | 0 | 0 | 0 | 111.5 | K393 E397 T398 | K393-P395 WeakPolarHBondContact O-CD 3.29Å; P395-E397 PolarHBondContact O-N 3.48Å; P395-T398 WeakPolarHBondContact O-CA 3.39Å; P395-T398 WeakPolarHBondContact O-CB 3.43Å; P395-T398 PolarHBondContact O-N 2.9Å; P395-T398 PolarHBondContact O-OG1 2.89Å | ||
| 396 | I | 90.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -30.5 | -178.4 | -67.8 | -55.3 | 0 | 0 | 0 | 112.2 | L224 W253 E383 F387 V391 T398 L399 I400 | L224-I396 HydrophobicContact CD1-CG2 3.98Å; L224-I396 HydrophobicContact CD2-CD1 3.91Å; L224-I396 HydrophobicContact CD2-CG2 3.78Å; W253-I396 HydrophobicContact CD2-CB 4.47Å; W253-I396 HydrophobicContact CD2-CG2 3.66Å; W253-I396 HydrophobicContact CE3-CG2 3.88Å; W253-I396 HydrophobicContact CG-CG2 4.23Å; W253-I396 HydrophobicContact CH2-CB 3.98Å; W253-I396 HydrophobicContact CH2-CG1 3.91Å; W253-I396 HydrophobicContact CH2-CG2 3.97Å; W253-I396 HydrophobicContact CZ2-CB 3.64Å; W253-I396 HydrophobicContact CZ2-CG1 4.04Å; W253-I396 HydrophobicContact CZ2-CG2 3.75Å; W253-I396 HydrophobicContact CZ3-CG1 4.47Å; W253-I396 HydrophobicContact CZ3-CG2 4.03Å; E383-I396 HydrophobicContact CG-CG1 3.83Å; E383-I396 WeakPolarHBondContact OE1-CG1 3.46Å; E383-I396 PolarHBondContact OE1-N 3.42Å; F387-I396 HydrophobicContact CB-CD1 3.94Å; F387-I396 HydrophobicContact CB-CG1 4.42Å; F387-I396 HydrophobicContact CD1-CD1 3.74Å; F387-I396 HydrophobicContact CD2-CD1 4.45Å; F387-I396 HydrophobicContact CE1-CD1 4.37Å; F387-I396 HydrophobicContact CG-CD1 3.78Å; F387-I396 HydrophobicContact CG-CG1 4.28Å; V391-I396 HydrophobicContact CG2-CD1 4.22Å; I396-T398 PolarHBondContact O-N 2.93Å; I396-L399 HydrophobicContact CD1-CD1 3.91Å; I396-L399 PolarHBondContact O-N 3.4Å; I396-L399 VanDerWaalsContact O-N 3.11Å; I396-I400 HydrophobicContact CG2-CD1 3.65Å; I396-I400 HydrophobicContact CG2-CG1 4.06Å; I396-I400 WeakPolarHBondContact O-CG1 3.43Å; I396-I400 PolarHBondContact O-N 3.15Å |
| 397 | E | 88.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 22% | 0.22 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -20.8 | 173.8 | -62 | 75.6 | -161.1 | 0 | 0 | 113.3 | R250 W253 P395 | R250-E397 HydrophobicContact CB-CB 4.48Å; R250-E397 HydrophobicContact CB-CG 4.19Å; R250-E397 HydrophobicContact CG-CB 3.84Å; R250-E397 HydrophobicContact CG-CG 4.08Å; R250-E397 VanDerWaalsContact CZ-O 3.25Å; R250-E397 PolarHBondContact NE-O 3.15Å; R250-E397 PolarHBondContact NH2-O 3.25Å; W253-E397 PolarHBondContact NE1-OE1 3.18Å; P395-E397 PolarHBondContact O-N 3.48Å |
| 398 | T | 87.6 | Confident | 84.6 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.239 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.5 | -51.5 | 172.2 | -46.5 | 0 | 0 | 0 | 0 | 109.5 | T394 P395 I396 I400 R401 D402 | T394-T398 HydrophobicContact CG2-CG2 4.38Å; P395-T398 WeakPolarHBondContact O-CA 3.39Å; P395-T398 WeakPolarHBondContact O-CB 3.43Å; P395-T398 PolarHBondContact O-N 2.9Å; P395-T398 PolarHBondContact O-OG1 2.89Å; I396-T398 PolarHBondContact O-N 2.93Å; T398-I400 PolarHBondContact O-N 2.82Å; T398-R401 VanDerWaalsContact CG2-NH2 3.33Å; T398-R401 WeakPolarHBondContact O-CB 3.48Å; T398-R401 PolarHBondContact O-N 3.1Å; T398-D402 VanDerWaalsContact O-CG 3.32Å; T398-D402 PolarHBondContact O-N 3.16Å; T398-D402 VanDerWaalsContact O-N 3.16Å |
| 399 | L | 87.5 | Confident | 84.6 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | -178.5 | -57 | 178.9 | 0 | 0 | 0 | 112.5 | V391 T394 I396 R401 D402 M403 | V391-L399 HydrophobicContact CB-CD1 3.9Å; V391-L399 HydrophobicContact CG1-CD1 3.57Å; V391-L399 HydrophobicContact CG2-CD1 4.05Å; T394-L399 HydrophobicContact CG2-CD2 3.89Å; T394-L399 HydrophobicContact CG2-CG 4.16Å; I396-L399 HydrophobicContact CD1-CD1 3.91Å; I396-L399 PolarHBondContact O-N 3.4Å; I396-L399 VanDerWaalsContact O-N 3.11Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.14Å; L399-D402 CarbonylContact O-C 3.44Å; L399-D402 PolarHBondContact O-N 2.7Å; L399-D402 VanDerWaalsContact O-N 3.1Å; L399-M403 HydrophobicContact CB-CE 4.33Å; L399-M403 WeakPolarHBondContact O-CB 3.46Å; L399-M403 VanDerWaalsContact O-CG 3.24Å; L399-M403 WeakPolarHBondContact O-CG 3.46Å; L399-M403 PolarHBondContact O-N 3.35Å |
| 400 | I | 88.9 | Confident | 85 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 175 | -74.7 | 166.1 | 0 | 0 | 0 | 111.4 | V228 L249 W253 I396 T398 D402 M403 L404 | V228-I400 HydrophobicContact CG2-CG1 4.18Å; L249-I400 HydrophobicContact CB-CG2 3.71Å; W253-I400 HydrophobicContact CB-CD1 3.42Å; W253-I400 VanDerWaalsContact CB-CD1 3.42Å; W253-I400 HydrophobicContact CD2-CD1 4.24Å; W253-I400 HydrophobicContact CG-CD1 3.45Å; W253-I400 VanDerWaalsContact CG-CD1 3.45Å; I396-I400 HydrophobicContact CG2-CD1 3.65Å; I396-I400 HydrophobicContact CG2-CG1 4.06Å; I396-I400 WeakPolarHBondContact O-CG1 3.43Å; I396-I400 PolarHBondContact O-N 3.15Å; T398-I400 PolarHBondContact O-N 2.82Å; I400-D402 VanDerWaalsContact C-N 3.31Å; I400-D402 PolarHBondContact O-N 3.11Å; I400-M403 PolarHBondContact O-N 2.84Å; I400-L404 HydrophobicContact CG2-CD1 3.9Å; I400-L404 WeakPolarHBondContact O-CD1 3.49Å; I400-L404 VanDerWaalsContact O-CG 3.27Å; I400-L404 WeakPolarHBondContact O-CG 3.17Å; I400-L404 PolarHBondContact O-N 3.32Å |
| 401 | R | 87.5 | Confident | 85.2 | Confident | 90 Ų | 90 | 62 Ų | 62 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 174.7 | 177.6 | -158.5 | 65.3 | -147.7 | -11.5 | 110.2 | V246 T398 L399 M403 L404 L405 | V246-R401 HydrophobicContact CG1-CB 4.31Å; V246-R401 HydrophobicContact CG1-CG 4.45Å; V246-R401 HydrophobicContact CG2-CG 4.36Å; T398-R401 VanDerWaalsContact CG2-NH2 3.33Å; T398-R401 WeakPolarHBondContact O-CB 3.48Å; T398-R401 PolarHBondContact O-N 3.1Å; L399-R401 VanDerWaalsContact C-N 3.32Å; L399-R401 PolarHBondContact O-N 3.14Å; R401-M403 PolarHBondContact O-N 3.3Å; R401-L404 PolarHBondContact O-N 3.2Å; R401-L405 HydrophobicContact CG-CD1 3.95Å; R401-L405 HydrophobicContact CG-CG 4.48Å; R401-L405 WeakPolarHBondContact O-CG 3.33Å; R401-L405 PolarHBondContact O-N 3.49Å; R401-L405 VanDerWaalsContact O-N 3.14Å |
| 402 | D | 86.9 | Confident | 85.3 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 46% | 0.455 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.5 | -8.7 | -176.7 | -56.1 | -21.4 | 0 | 0 | 0 | 113.1 | T398 L399 I400 | T398-D402 VanDerWaalsContact O-CG 3.32Å; T398-D402 PolarHBondContact O-N 3.16Å; T398-D402 VanDerWaalsContact O-N 3.16Å; L399-D402 CarbonylContact O-C 3.44Å; L399-D402 PolarHBondContact O-N 2.7Å; L399-D402 VanDerWaalsContact O-N 3.1Å; I400-D402 VanDerWaalsContact C-N 3.31Å; I400-D402 PolarHBondContact O-N 3.11Å |
| 403 | M | 86.9 | Confident | 85.6 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -6.3 | 168 | -70.5 | 175 | -171.5 | 0 | 0 | 113.4 | F225 V228 R232 L399 I400 R401 | F225-M403 HydrophobicContact CD2-SD 4.22Å; V228-M403 HydrophobicContact CG1-CB 3.9Å; V228-M403 HydrophobicContact CG2-SD 4.37Å; R232-M403 PolarHBondContact NH1-O 2.88Å; L399-M403 HydrophobicContact CB-CE 4.33Å; L399-M403 WeakPolarHBondContact O-CB 3.46Å; L399-M403 VanDerWaalsContact O-CG 3.24Å; L399-M403 WeakPolarHBondContact O-CG 3.46Å; L399-M403 PolarHBondContact O-N 3.35Å; I400-M403 PolarHBondContact O-N 2.84Å; R401-M403 PolarHBondContact O-N 3.3Å |
| 404 | L | 81.6 | Confident | 86.1 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -34.1 | 178.9 | -75.3 | 163 | 0 | 0 | 0 | 112.7 | V228 R232 F237 I242 V246 L249 I400 R401 | V228-L404 HydrophobicContact CG1-CD2 4.06Å; V228-L404 HydrophobicContact CG1-CG 4.1Å; R232-L404 HydrophobicContact CG-CD2 3.81Å; R232-L404 PolarHBondContact NH1-O 3.29Å; F237-L404 HydrophobicContact CE1-CD2 4.36Å; I242-L404 HydrophobicContact CD1-CB 4.31Å; V246-L404 HydrophobicContact CB-CD1 4.43Å; V246-L404 HydrophobicContact CG2-CB 4.43Å; V246-L404 HydrophobicContact CG2-CD1 3.69Å; L249-L404 HydrophobicContact CB-CD1 4.48Å; L249-L404 HydrophobicContact CD1-CD1 3.73Å; L249-L404 HydrophobicContact CD1-CD2 3.68Å; L249-L404 HydrophobicContact CD1-CG 4.16Å; I400-L404 HydrophobicContact CG2-CD1 3.9Å; I400-L404 WeakPolarHBondContact O-CD1 3.49Å; I400-L404 VanDerWaalsContact O-CG 3.27Å; I400-L404 WeakPolarHBondContact O-CG 3.17Å; I400-L404 PolarHBondContact O-N 3.32Å; R401-L404 PolarHBondContact O-N 3.2Å |
| 405 | L | 75.1 | Confident | 86.2 | Confident | 149 Ų | 149 | 52.6 Ų | 52.6 | 78% | 0.78 | 27% | 0.27 | S | S | * | . | trans | -72.3 | 0 | 171.9 | -59.9 | 175.6 | 0 | 0 | 0 | 112.4 | I242 R401 | I242-L405 HydrophobicContact CD1-CD2 4.4Å; I242-L405 HydrophobicContact CG1-CD2 3.9Å; R401-L405 HydrophobicContact CG-CD1 3.95Å; R401-L405 HydrophobicContact CG-CG 4.48Å; R401-L405 WeakPolarHBondContact O-CG 3.33Å; R401-L405 PolarHBondContact O-N 3.49Å; R401-L405 VanDerWaalsContact O-N 3.14Å |
Retrieved 405 of 405 residues in 154.8 ms
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