| 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 | 30.5 | Very low | 32.1 | Very low | 236 Ų | 236 | 159.5 Ų | 159.5 | 100% | 1.163 | 83% | 0.827 | S | S | * | * | 0 | 94.2 | 0 | -61.9 | 162.5 | 179.7 | 0 | 0 | 104.7 | |||||
| 2 | N | 30.6 | Very low | 32 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | 66.6 | 127.2 | 89.2 | -87.8 | 42.8 | 0 | 0 | 0 | 111.4 | |||||
| 3 | T | 35.9 | Very low | 32 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 66% | 0.663 | 83% | 0.825 | S | S | * | * | cis | -143.5 | 143.4 | 16.2 | 42.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 4 | D | 36.3 | Very low | 31.8 | Very low | 142 Ų | 142 | 159.3 Ų | 159.3 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | 42.1 | 116.4 | 136.1 | -50.8 | -60.4 | 0 | 0 | 0 | 122 | ||||
| 5 | C | 29.9 | Very low | 32.7 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -85.2 | 121.6 | 152 | -71 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | R | 31.5 | Very low | 32.5 | Very low | 209 Ų | 209 | 151.9 Ų | 151.9 | 79% | 0.789 | 83% | 0.828 | S | S | * | * | trans | -92.8 | 115.4 | 179.9 | -175.8 | 178.9 | 175.8 | 125.8 | -0.6 | 111.1 | H8 | R6-H8 PolarHBondContact NE-NE2 3.48Š| ||
| 7 | I | 33.2 | Very low | 32.3 | Very low | 157 Ų | 157 | 153.4 Ų | 153.4 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | trans | -74.5 | 138.8 | 169.4 | -63 | 169.3 | 0 | 0 | 0 | 108.7 | ||||
| 8 | H | 30.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 67% | 0.667 | 83% | 0.832 | S | S | * | * | trans | -111.8 | 129.6 | 161.3 | -95.5 | -113.3 | 0 | 0 | 0 | 108.7 | R6 | R6-H8 PolarHBondContact NE-NE2 3.48Š| ||
| 9 | A | 31.3 | Very low | 32.3 | Very low | 89 Ų | 89 | 152.5 Ų | 152.5 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -111.9 | 142.6 | 162 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 10 | E | 31.8 | Very low | 32.2 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | trans | -105.9 | 122.2 | 175 | -66.4 | -177.9 | 111.2 | 0 | 0 | 108.4 | ||||
| 11 | E | 31.6 | Very low | 32.2 | Very low | 184 Ų | 184 | 151.2 Ų | 151.2 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -96.7 | 151.2 | 176.2 | -66.7 | -168.3 | 133.4 | 0 | 0 | 111.1 | ||||
| 12 | A | 31.4 | Very low | 32.9 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -78.8 | 142.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | V | 31.1 | Very low | 33 | Very low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -110.1 | 134.1 | 179.2 | 177 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | W | 29.3 | Very low | 32.7 | Very low | 242 Ų | 242 | 143.7 Ų | 143.7 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -123.9 | 138.5 | 168.4 | -83.3 | 62.5 | 0 | 0 | 0 | 109.6 | ||||
| 15 | P | 45 | Very low | 32.3 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | -107.7 | 154.6 | 179.4 | 38.3 | -32.2 | 0 | 0 | 0 | 114.6 | ||||
| 16 | G | 30.8 | Very low | 32.4 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 107.8 | 104.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 17 | M | 28.3 | Very low | 32.3 | Very low | 177 Ų | 177 | 138.5 Ų | 138.5 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | cis | 91.7 | 94.5 | 25.1 | -164.2 | -178.7 | -178.4 | 0 | 0 | 115.2 | ||||
| 18 | V | 34.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | -173.5 | 150.3 | 118.7 | -87.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 19 | D | 30.6 | Very low | 32.3 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -82.9 | 157.4 | -175.2 | -53.8 | -94.4 | 0 | 0 | 0 | 115 | ||||
| 20 | N | 29.8 | Very low | 33 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -163 | 144.3 | 135.8 | -105.6 | -61.3 | 0 | 0 | 0 | 112.4 | ||||
| 21 | S | 32.4 | Very low | 32.9 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -165.5 | 144.7 | 176.8 | -83.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 22 | P | 45.8 | Very low | 32.8 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | -154.7 | 168.7 | 83.7 | 41.1 | -23.1 | 0 | 0 | 0 | 117.1 | |||||
| 23 | A | 31.7 | Very low | 32.6 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 60.7 | 150 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 24 | S | 30.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | cis | -168.8 | 148 | -10.5 | 44.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 25 | G | 28 | Very low | 32.5 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 165.3 | 103.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 26 | E | 30.8 | Very low | 31.6 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | 10.7 | 139 | 132.8 | -67.5 | 161.7 | -138.7 | 0 | 0 | 118.5 | ||||
| 27 | T | 30.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | cis | -164.5 | 171.6 | 15.5 | 10.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 28 | S | 31.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | trans | 84 | 123.2 | 156.9 | 73.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 29 | L | 30.9 | Very low | 31.3 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -106.2 | 175 | 157.9 | -76.5 | 172.6 | 0 | 0 | 0 | 106.9 | ||||
| 30 | P | 46 | Very low | 31.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | -142.3 | 163 | 17.7 | 42.9 | -24.1 | 0 | 0 | 0 | 119 | ||||
| 31 | L | 30.8 | Very low | 31.9 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 19.7 | 130.1 | 136.2 | -53.8 | 170 | 0 | 0 | 0 | 120.2 | ||||
| 32 | S | 29.5 | Very low | 31.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | -154.5 | 142 | 113.9 | 60 | 0 | 0 | 0 | 0 | 112 | |||||
| 33 | C | 25.7 | Very low | 30.9 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 140.9 | 166.9 | -60.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 34 | S | 29 | Very low | 30.8 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | 174.8 | 134.4 | 120.4 | -80.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 35 | L | 30.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -26.8 | 137.9 | 156 | -66.8 | 150 | 0 | 0 | 0 | 116.3 | ||||
| 36 | R | 26.8 | Very low | 30.9 | Very low | 248 Ų | 248 | 142.9 Ų | 142.9 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | -150.2 | 142.5 | 127.3 | -135.1 | 167 | -174.2 | 149.3 | 2.5 | 111.7 | |||||
| 37 | A | 29.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -94.8 | 155.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 38 | Y | 27.8 | Very low | 30.8 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -139.7 | 142.9 | 159.6 | -98.1 | -83.1 | 0 | 0 | 0 | 110.2 | ||||
| 39 | S | 28.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -105.7 | 160.7 | 170.8 | -68.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 40 | P | 43.3 | Very low | 30.7 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -95.6 | 155.7 | -152.5 | 36.4 | -36.5 | 0 | 0 | 0 | 114.9 | ||||
| 41 | L | 30.8 | Very low | 29.8 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -144.9 | 143.7 | 151.2 | -82.9 | -175.9 | 0 | 0 | 0 | 111.4 | ||||
| 42 | D | 27.2 | Very low | 29.7 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | trans | 42.6 | 109.8 | 151 | -52.9 | -37.6 | 0 | 0 | 0 | 121.6 | ||||
| 43 | M | 28.3 | Very low | 29.7 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | -135.8 | 138.7 | 129.8 | -88.8 | -66.5 | 103.1 | 0 | 0 | 109.2 | |||||
| 44 | V | 31.4 | Very low | 30 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -125.4 | 134.7 | -178.2 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 45 | S | 31.3 | Very low | 29.9 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | 161.3 | 137.9 | 139.4 | -94.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 46 | D | 27.9 | Very low | 30.4 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 47.6 | 129 | 145.7 | -54.5 | -46.1 | 0 | 0 | 0 | 119.6 | ||||
| 47 | L | 31.8 | Very low | 30.5 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | cis | -152.4 | 169.5 | 37.1 | -71.9 | 165.1 | 0 | 0 | 0 | 111.6 | ||||
| 48 | G | 27.3 | Very low | 30.6 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | 130.4 | 59.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y50 | G48-Y50 PolarHBondContact O-N 3.11Š| ||
| 49 | S | 31.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -64.8 | 119.7 | 179.5 | -48.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 50 | Y | 29 | Very low | 31.2 | Very low | 228 Ų | 228 | 140 Ų | 140 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -119.2 | 120.5 | 159.4 | -99.3 | -88.2 | 0 | 0 | 0 | 110.7 | G48 V52 | G48-Y50 PolarHBondContact O-N 3.11Å; Y50-V52 PolarHBondContact O-N 3.1Å | ||
| 51 | Q | 28.6 | Very low | 30.5 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 114 | 179.7 | -76.9 | -86.2 | 10.4 | 0 | 0 | 110.9 | ||||
| 52 | V | 28.4 | Very low | 30.7 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -91.4 | 111.5 | 162.7 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | Y50 P54 | Y50-V52 PolarHBondContact O-N 3.1Å; V52-P54 VanDerWaalsContact O-CD 3.24Å; V52-P54 WeakPolarHBondContact O-CD 3.28Å | ||
| 53 | I | 29.8 | Very low | 30.7 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 117.3 | 175.8 | -58.2 | 174 | 0 | 0 | 0 | 108.9 | S55 | I53-S55 PolarHBondContact O-N 3.06Š| ||
| 54 | P | 32.3 | Very low | 30.7 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -89.4 | 102.3 | 174 | 8.8 | 11 | 0 | 0 | 0 | 109.1 | V52 P56 | V52-P54 VanDerWaalsContact O-CD 3.24Å; V52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-P56 VanDerWaalsContact O-CD 3.31Å; P54-P56 WeakPolarHBondContact O-CD 3.37Å | ||
| 55 | S | 26.7 | Very low | 30.6 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -72.1 | 117.5 | 172.4 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | I53 | I53-S55 PolarHBondContact O-N 3.06Š| ||
| 56 | P | 39.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -90.9 | 126.2 | -176.6 | 34 | -30.5 | 0 | 0 | 0 | 111.5 | P54 | P54-P56 VanDerWaalsContact O-CD 3.31Å; P54-P56 WeakPolarHBondContact O-CD 3.37Å | ||
| 57 | F | 30 | Very low | 30.4 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | trans | -140.5 | 92.7 | 162.4 | -85.2 | -70.2 | 0 | 0 | 0 | 110.9 | ||||
| 58 | S | 30 | Very low | 30.9 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -84 | 127.9 | 164.7 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | D60 | S58-D60 VanDerWaalsContact C-N 3.27Å; S58-D60 PolarHBondContact O-N 3.16Å | ||
| 59 | D | 35.3 | Very low | 31 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -77.8 | 73.3 | 169.3 | -90.6 | -56.1 | 0 | 0 | 0 | 110.3 | ||
| 60 | D | 35.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -150.3 | 115.6 | 165.9 | -102.6 | -43.8 | 0 | 0 | 0 | 110.8 | S58 | S58-D60 VanDerWaalsContact C-N 3.27Å; S58-D60 PolarHBondContact O-N 3.16Å | ||
| 61 | D | 28.5 | Very low | 30.5 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -142.8 | 110.1 | 171.7 | -155.3 | -34 | 0 | 0 | 0 | 109.3 | S63 | D61-S63 PolarHBondContact OD1-N 2.91Å; D61-S63 PolarHBondContact OD1-OG 3.34Å | ||
| 62 | V | 35.3 | Very low | 30.4 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -120.5 | 71.2 | 176 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | V64 | V62-V64 PolarHBondContact O-N 3.36Š| ||
| 63 | S | 26.9 | Very low | 30.4 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -75.9 | 101.4 | 179.7 | -1.1 | 0 | 0 | 0 | 0 | 110.4 | D61 | D61-S63 PolarHBondContact OD1-N 2.91Å; D61-S63 PolarHBondContact OD1-OG 3.34Å | ||
| 64 | V | 28.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -112.5 | 130.6 | 165.6 | 178.8 | 0 | 0 | 0 | 0 | 108 | V62 | V62-V64 PolarHBondContact O-N 3.36Š| ||
| 65 | L | 29.2 | Very low | 30.6 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -71 | 136.1 | -179.1 | -66.8 | 80.3 | 0 | 0 | 0 | 111.1 | ||||
| 66 | S | 27.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | -173.4 | 131.1 | 121.6 | -80.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 67 | S | 27.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -104.2 | 172.5 | 169.5 | -42 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 68 | P | 41.3 | Very low | 30.8 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -109.1 | 166 | -124.5 | 39.3 | -32.3 | 0 | 0 | 0 | 114.7 | |||||
| 69 | R | 29.2 | Very low | 30.7 | Very low | 255 Ų | 255 | 136 Ų | 136 | 96% | 0.962 | 79% | 0.794 | S | S | * | * | trans | -136.2 | 131.5 | 155.1 | -74.1 | -163 | 172.1 | -149.4 | -4.3 | 111.7 | ||||
| 70 | S | 26.9 | Very low | 30.2 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -82.4 | 148.4 | 172.6 | 50.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 71 | C | 24.6 | Very low | 29.8 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -154.5 | 160.1 | 143.8 | -107.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 72 | S | 25.7 | Very low | 29.7 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -119.7 | 158.6 | -161.1 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 73 | S | 28.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 74.7 | 159.7 | 156.8 | -49.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 74 | P | 38.4 | Very low | 29.1 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | cis | -133.3 | 173.5 | -45.3 | 37.5 | -23.3 | 0 | 0 | 0 | 112.6 | ||||
| 75 | E | 26.7 | Very low | 29 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -87.4 | 130.2 | 173.6 | -67.6 | 176.2 | 72 | 0 | 0 | 112.8 | ||||
| 76 | S | 28.3 | Very low | 29 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | 56.2 | 172.4 | 132.8 | -55.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 77 | P | 48 | Very low | 29.1 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | cis | -117.7 | -175.5 | -22.2 | 34.6 | -17.4 | 0 | 0 | 0 | 112 | ||||
| 78 | E | 24.9 | Very low | 29.1 | Very low | 153 Ų | 153 | 125.6 Ų | 125.6 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | 174.1 | 146.7 | 116.4 | -93.5 | -68.7 | 68.6 | 0 | 0 | 115.3 | |||||
| 79 | L | 26.9 | Very low | 28.6 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | trans | 57.2 | 95.8 | 150.1 | -62.9 | 171 | 0 | 0 | 0 | 123.3 | ||||
| 80 | S | 25.4 | Very low | 28.7 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 92 | 164 | 105 | 83.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 81 | S | 27.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 119 Ų | 119 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | 92.4 | 148.5 | 163.7 | 78.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 82 | S | 25.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -116.4 | 173.6 | -152.6 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 83 | C | 24.3 | Very low | 29.6 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 157.6 | 161.9 | 82.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 84 | G | 24.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 123.2 Ų | 123.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | -154.9 | -171.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 85 | S | 27.9 | Very low | 29.3 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -76 | 178.6 | -164.3 | -48 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 86 | S | 28.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 83.5 | 148.4 | 160.1 | 79.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 87 | S | 28.6 | Very low | 29.5 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -173.9 | 153.5 | -23.5 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 88 | S | 28.2 | Very low | 29 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | 66.8 | 152.7 | 155.6 | -58.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 89 | A | 31 | Very low | 29.2 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -145.3 | -168.4 | -22.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 90 | E | 31.2 | Very low | 29.3 | Very low | 182 Ų | 182 | 127.2 Ų | 127.2 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | cis | -166.6 | 165.6 | 32.9 | -71.5 | -173.4 | 102.4 | 0 | 0 | 106.8 | ||||
| 91 | S | 31.4 | Very low | 29.4 | Very low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | cis | -162.3 | 137.4 | -17.9 | -97.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 92 | Q | 33.7 | Very low | 29.6 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 110.4 | 140.5 | -59.5 | -179.4 | -0 | 0 | 0 | 122.4 | ||||
| 93 | D | 32.3 | Very low | 29.7 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -73.1 | 160.2 | 144.5 | -77.2 | -69.3 | 0 | 0 | 0 | 111.7 | ||||
| 94 | S | 30.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -153.8 | 88.9 | 170.4 | -78 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 95 | I | 29.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 18 | 117.7 | 135.8 | -53 | 163.8 | 0 | 0 | 0 | 117.9 | ||||
| 96 | L | 27.4 | Very low | 30.1 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | -164.5 | 164.6 | 117.9 | -115 | 168.2 | 0 | 0 | 0 | 111.9 | |||||
| 97 | D | 32.3 | Very low | 30.1 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -135.6 | 172.2 | -163.9 | -160.5 | -26.9 | 0 | 0 | 0 | 111.1 | ||||
| 98 | H | 36.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | trans | 104.2 | 111.1 | 147.9 | -91.8 | 27.7 | 0 | 0 | 0 | 123.1 | ||||
| 99 | L | 29.9 | Very low | 30 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | 77.2 | 132.3 | 137.8 | -58.5 | 171.7 | 0 | 0 | 0 | 119 | ||||
| 100 | L | 28.5 | Very low | 29.9 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | -161.2 | 155.1 | 66.1 | -97.8 | 170 | 0 | 0 | 0 | 115.7 | |||||
| 101 | S | 28.5 | Very low | 29.7 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | 69.5 | 153.2 | 161.5 | -51.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 102 | Q | 32.1 | Very low | 29.5 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | cis | -138.4 | 154.4 | 15.5 | -67 | -86.7 | -19.8 | 0 | 0 | 112.4 | ||||
| 103 | T | 26.9 | Very low | 29.1 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -142.8 | 161.9 | 148 | 68.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 104 | S | 29.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | cis | -153.5 | -153.1 | 14.3 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 105 | L | 29.1 | Very low | 28.6 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | 74.7 | 140.5 | -178.2 | -51.6 | 169.2 | 0 | 0 | 0 | 115 | ||||
| 106 | G | 26.5 | Very low | 28.6 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | cis | -167.3 | 159.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 107 | S | 29.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -88.4 | 137.6 | -165.4 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 108 | A | 27.9 | Very low | 28.6 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 127.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 109 | G | 27 | Very low | 28.2 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | -78.8 | 159.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 110 | R | 28.6 | Very low | 28 | Very low | 253 Ų | 253 | 132.5 Ų | 132.5 | 96% | 0.955 | 82% | 0.819 | S | S | * | * | trans | -122.7 | 143.7 | 161.6 | -80.8 | -170 | 171.8 | -171.9 | -1.9 | 110.5 | ||||
| 111 | V | 26.2 | Very low | 27.8 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -83.1 | 141.1 | -166.8 | -161.7 | 0 | 0 | 0 | 0 | 110.6 | A113 | V111-A113 PolarHBondContact O-N 3.17Š| ||
| 112 | S | 27.2 | Very low | 27.6 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -65.2 | 121.7 | 165.7 | -58.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 113 | A | 25.8 | Very low | 27.3 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -126.6 | 107.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | V111 | V111-A113 PolarHBondContact O-N 3.17Š| ||
| 114 | A | 26.7 | Very low | 27.2 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -77.6 | 133.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 115 | L | 26.2 | Very low | 27.1 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -133.2 | 118.8 | 163.7 | -80.1 | 175.3 | 0 | 0 | 0 | 107.7 | ||||
| 116 | E | 29.1 | Very low | 27.1 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -77.7 | 133.8 | -175.8 | -59.2 | -172.9 | 131.7 | 0 | 0 | 111.7 | L118 | E116-L118 PolarHBondContact O-N 2.92Š| ||
| 117 | P | 31.9 | Very low | 27.4 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -80.6 | 105.8 | 167 | 31.3 | -30.8 | 0 | 0 | 0 | 110.2 | N119 | P117-N119 PolarHBondContact O-N 3.32Š| ||
| 118 | L | 28.1 | Very low | 27.5 | Very low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -57.3 | 117 | -179.9 | -74.2 | 167.4 | 0 | 0 | 0 | 113.3 | E116 | E116-L118 PolarHBondContact O-N 2.92Š| ||
| 119 | N | 27.4 | Very low | 27.7 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 39.5 | 78.7 | 156.4 | -78.4 | -20.4 | 0 | 0 | 0 | 118 | P117 F121 | P117-N119 PolarHBondContact O-N 3.32Å; N119-F121 VanDerWaalsContact C-N 3.35Å; N119-F121 HydrophobicContact CB-CD2 4.36Å; N119-F121 PolarHBondContact O-N 3.25Å | ||
| 120 | A | 26.2 | Very low | 28 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 86 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q122 | A120-Q122 PolarHBondContact O-N 3.28Š| ||
| 121 | F | 24.6 | Very low | 28.2 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | -70.6 | 88.7 | 178.5 | -117 | -84.5 | 0 | 0 | 0 | 112.1 | N119 W123 | N119-F121 VanDerWaalsContact C-N 3.35Å; N119-F121 HydrophobicContact CB-CD2 4.36Å; N119-F121 PolarHBondContact O-N 3.25Å; F121-W123 PolarHBondContact O-N 3.5Å | ||
| 122 | Q | 24.5 | Very low | 28.5 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -78.1 | 108 | 170.8 | 175.2 | 176.1 | -29.3 | 0 | 0 | 109.6 | A120 D124 | A120-Q122 PolarHBondContact O-N 3.28Å; Q122-D124 PolarHBondContact NE2-OD2 3.38Å; Q122-D124 PolarHBondContact O-N 3.45Å | ||
| 123 | W | 24.6 | Very low | 28.7 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | -93.6 | 98.8 | 174.7 | -146.5 | -28.7 | 0 | 0 | 0 | 110.5 | F121 S125 | F121-W123 PolarHBondContact O-N 3.5Å; W123-S125 PolarHBondContact O-N 3.27Å | ||
| 124 | D | 24.3 | Very low | 28.7 | Very low | 93 Ų | 93 | 141.2 Ų | 141.2 | 50% | 0.497 | 77% | 0.772 | S | S | . | * | trans | -64.6 | 123.6 | 169.8 | -106.7 | -73.6 | 0 | 0 | 0 | 110.1 | Q122 R126 | Q122-D124 PolarHBondContact NE2-OD2 3.38Å; Q122-D124 PolarHBondContact O-N 3.45Å; D124-R126 VanDerWaalsContact C-N 3.26Å; D124-R126 PolarHBondContact O-N 2.68Å | ||
| 125 | S | 28.1 | Very low | 29.1 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -83.9 | 70 | 176.2 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | W123 | W123-S125 PolarHBondContact O-N 3.27Š| ||
| 126 | R | 30.1 | Very low | 29.2 | Very low | 212 Ų | 212 | 140.1 Ų | 140.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -114.2 | 143.5 | 169.8 | -64.5 | -174 | -177.7 | -156.3 | -1.3 | 109 | D124 D128 | D124-R126 VanDerWaalsContact C-N 3.26Å; D124-R126 PolarHBondContact O-N 2.68Å; R126-D128 PolarHBondContact O-N 3.15Å | ||
| 127 | G | 31.3 | Very low | 29.2 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | -53.1 | 128.7 | -155.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | G129 | G127-G129 PolarHBondContact O-N 3.34Š| ||
| 128 | D | 31.8 | Very low | 29.1 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | trans | -56.7 | 126.1 | 150.5 | -79.6 | -21.1 | 0 | 0 | 0 | 108.1 | R126 K411 | R126-D128 PolarHBondContact O-N 3.15Å; D128-K411 IonicContact OD2-NZ 3.23Å; D128-K411 PolarHBondContact OD2-NZ 2.73Å | ||
| 129 | G | 32.1 | Very low | 29.1 | Very low | 55 Ų | 55 | 144 Ų | 144 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | trans | -74.3 | 175.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112 | G127 S131 | G127-G129 PolarHBondContact O-N 3.34Å; G129-S131 PolarHBondContact O-N 2.9Å | ||
| 130 | P | 33.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -70.9 | 104.1 | 178.8 | 29.1 | -33.9 | 0 | 0 | 0 | 111.4 | K132 | P130-K132 PolarHBondContact O-N 3.01Š| ||
| 131 | S | 33.8 | Very low | 29.3 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -62.8 | 114.4 | 164 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | G129 | G129-S131 PolarHBondContact O-N 2.9Š| ||
| 132 | K | 30.8 | Very low | 29.4 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -69.2 | 135.8 | 162 | -63.9 | -179.5 | 178.8 | -177.5 | 0 | 108.6 | P130 | P130-K132 PolarHBondContact O-N 3.01Š| ||
| 133 | H | 32.5 | Very low | 29.5 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -142.4 | 141.1 | 159.7 | -110.7 | -90.4 | 0 | 0 | 0 | 108.1 | ||||
| 134 | E | 26.7 | Very low | 29.6 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 162.2 | 174.6 | -85.1 | -175.6 | 125.5 | 0 | 0 | 111.6 | ||||
| 135 | P | 33.4 | Very low | 29.8 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 148.7 | -174.7 | 26.6 | -35.8 | 0 | 0 | 0 | 112.7 | ||||
| 136 | V | 29.4 | Very low | 29.8 | Very low | 135 Ų | 135 | 155 Ų | 155 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -115 | 135.8 | 154.8 | 176.3 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 137 | E | 28.5 | Very low | 29.7 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -50.2 | 142.6 | -169.1 | -59.1 | -65.5 | 92.8 | 0 | 0 | 113.6 | ||||
| 138 | E | 29.9 | Very low | 29.8 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -84.8 | 128.6 | 177.5 | -61.6 | -176.4 | 130.4 | 0 | 0 | 110.4 | ||||
| 139 | E | 28 | Very low | 29.8 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -112 | 133.2 | 159.5 | -71.5 | -164.7 | 156.2 | 0 | 0 | 109.4 | F141 | E139-F141 PolarHBondContact O-N 3.31Š| ||
| 140 | D | 30.4 | Very low | 29.8 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -68.8 | 88 | -166.7 | -79.1 | -60.9 | 0 | 0 | 0 | 114.4 | N142 | D140-N142 PolarHBondContact O-N 3.45Š| ||
| 141 | F | 28 | Very low | 29.9 | Very low | 173 Ų | 173 | 160.9 Ų | 160.9 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -87.8 | 100.5 | 164.3 | -84.1 | -85.1 | 0 | 0 | 0 | 111.6 | E139 F143 | E139-F141 PolarHBondContact O-N 3.31Å; F141-F143 VanDerWaalsContact O-CD2 3.31Å; F141-F143 WeakPolarHBondContact O-CD2 3.42Å; F141-F143 PolarHBondContact O-N 3.47Å | ||
| 142 | N | 27 | Very low | 29.7 | Very low | 164 Ų | 164 | 160 Ų | 160 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -58.4 | 111 | -171.4 | -154 | -9.4 | 0 | 0 | 0 | 113 | D140 L144 | D140-N142 PolarHBondContact O-N 3.45Å; N142-L144 PolarHBondContact O-N 3.31Å | ||
| 143 | F | 26.1 | Very low | 29.8 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -83.4 | 107.8 | -176.4 | -94.3 | -92.8 | 0 | 0 | 0 | 112.6 | F141 T145 | F141-F143 VanDerWaalsContact O-CD2 3.31Å; F141-F143 WeakPolarHBondContact O-CD2 3.42Å; F141-F143 PolarHBondContact O-N 3.47Å; F143-T145 PolarHBondContact O-N 2.76Å; F143-T145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | L | 27.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 159.5 Ų | 159.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -62.2 | 112.2 | 162.1 | -79.7 | 171.1 | 0 | 0 | 0 | 110 | N142 W146 | N142-L144 PolarHBondContact O-N 3.31Å; L144-W146 PolarHBondContact O-N 3.49Å; L144-W146 VanDerWaalsContact O-N 3.17Å | ||
| 145 | T | 27.7 | Very low | 30.1 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -74 | 105.7 | -173.6 | 44.5 | 0 | 0 | 0 | 0 | 111.7 | F143 S147 | F143-T145 PolarHBondContact O-N 2.76Å; F143-T145 VanDerWaalsContact O-N 3.12Å; T145-S147 PolarHBondContact O-N 2.94Å | ||
| 146 | W | 27.4 | Very low | 30.1 | Very low | 247 Ų | 247 | 158.4 Ų | 158.4 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | trans | -71.4 | 69.1 | 166 | -90.5 | 56.4 | 0 | 0 | 0 | 111.1 | L144 | L144-W146 PolarHBondContact O-N 3.49Å; L144-W146 VanDerWaalsContact O-N 3.17Å | ||
| 147 | S | 29.7 | Very low | 30 | Very low | 93 Ų | 93 | 155.1 Ų | 155.1 | 65% | 0.65 | 83% | 0.831 | S | S | * | * | trans | -130 | 52.2 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | T145 | T145-S147 PolarHBondContact O-N 2.94Š| ||
| 148 | N | 32.1 | Very low | 29.9 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -160.8 | 71.2 | 169.2 | -96.6 | -29 | 0 | 0 | 0 | 111.8 | ||||
| 149 | V | 31.4 | Very low | 29.8 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 78% | 0.782 | 83% | 0.83 | S | S | * | * | trans | -139.9 | 54.4 | 163.2 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 150 | E | 32.9 | Very low | 30 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -141.8 | 32 | 174.4 | -157 | 152.9 | -132.3 | 0 | 0 | 112.9 | ||
| 151 | T | 35.2 | Very low | 30.4 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -142.8 | 75.9 | 171 | -28.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 152 | A | 28.8 | Very low | 31.3 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -137.1 | 24.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 153 | E | 34.1 | Very low | 32.1 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -107.7 | 72 | 172.3 | -70.8 | -163.3 | 128.7 | 0 | 0 | 111.9 | ||||
| 154 | Q | 34.8 | Very low | 32.9 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -162.3 | -9.7 | 158.7 | -127.5 | 151.2 | 100.5 | 0 | 0 | 118.9 | ||
| 155 | L | 29.8 | Very low | 33.6 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | trans | -124 | 121 | 175.2 | -69.1 | 176.3 | 0 | 0 | 0 | 111 | G157 | L155-G157 PolarHBondContact O-N 2.94Å; L155-G157 VanDerWaalsContact O-N 3.11Å | ||
| 156 | G | 33.2 | Very low | 34.3 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 99% | 0.99 | 74% | 0.742 | S | S | * | * | trans | -76.5 | 93.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 157 | G | 28 | Very low | 35.2 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | trans | -146.2 | 116.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L155 F159 | L155-G157 PolarHBondContact O-N 2.94Å; L155-G157 VanDerWaalsContact O-N 3.11Å; G157-F159 VanDerWaalsContact C-N 3.33Å; G157-F159 PolarHBondContact O-N 3.34Å | ||
| 158 | S | 26.7 | Very low | 36 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | -81.3 | 76 | -179.8 | 58 | 0 | 0 | 0 | 0 | 111.3 | H160 | S158-H160 PolarHBondContact O-N 3.36Š| ||
| 159 | F | 27.5 | Very low | 36.2 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 82% | 0.82 | 71% | 0.711 | S | S | * | * | trans | -82.5 | 107.7 | 167.7 | -121.4 | -89.8 | 0 | 0 | 0 | 109.5 | G157 | G157-F159 VanDerWaalsContact C-N 3.33Å; G157-F159 PolarHBondContact O-N 3.34Å | ||
| 160 | H | 32.9 | Very low | 37 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | trans | -124 | 89.3 | 177.9 | -147.2 | -59.1 | 0 | 0 | 0 | 106.4 | S158 T162 | S158-H160 PolarHBondContact O-N 3.36Å; H160-T162 PolarHBondContact O-N 2.94Å | ||
| 161 | P | 38.7 | Very low | 37.8 | Very low | 66 Ų | 66 | 126 Ų | 126 | 43% | 0.429 | 69% | 0.69 | S | S | . | * | trans | -58.5 | 137.5 | -176.2 | 23.7 | -33.2 | 0 | 0 | 0 | 109.9 | I166 | P161-I166 HydrophobicContact CB-CD1 4.37Å; P161-I166 HydrophobicContact CB-CG1 4.22Å; P161-I166 HydrophobicContact CG-CD1 4.25Å; P161-I166 HydrophobicContact CG-CG1 4.46Å | ||
| 162 | T | 46.4 | Very low | 38.2 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 43% | 0.429 | 68% | 0.682 | S | S | . | * | trans | -69.8 | 164.7 | 175.8 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | H160 E164 E165 I166 | H160-T162 PolarHBondContact O-N 2.94Å; T162-E164 PolarHBondContact O-N 3.09Å; T162-E165 VanDerWaalsContact CB-OE2 3.32Å; T162-E165 WeakPolarHBondContact CB-OE2 3.43Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.24Å; T162-E165 PolarHBondContact N-OE2 3.03Å; T162-E165 WeakPolarHBondContact OG1-CG 3.5Å; T162-E165 PolarHBondContact OG1-N 3.35Å; T162-E165 PolarHBondContact OG1-OE2 3.13Å; T162-I166 WeakPolarHBondContact O-CG1 3.47Å; T162-I166 PolarHBondContact O-N 2.89Å | ||
| 163 | L | 44.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 127 Ų | 127 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -65.8 | -28.4 | 176.8 | -89 | 163 | 0 | 0 | 0 | 112.3 | I166 E167 | L163-I166 PolarHBondContact O-N 3.46Å; L163-E167 WeakPolarHBondContact O-CG 3.21Å; L163-E167 PolarHBondContact O-N 3.44Å |
| 164 | E | 42.7 | Very low | 39.3 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.5 | -46.1 | -179.9 | -66.5 | 167.4 | 162.6 | 0 | 0 | 110.6 | T162 I166 E167 E168 | T162-E164 PolarHBondContact O-N 3.09Å; E164-I166 PolarHBondContact O-N 3.14Å; E164-E167 PolarHBondContact O-N 3.25Å; E164-E167 VanDerWaalsContact O-N 3.11Å; E164-E168 WeakPolarHBondContact O-CB 3.37Å; E164-E168 PolarHBondContact O-N 3.04Å |
| 165 | E | 40.7 | Very low | 39.7 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 44% | 0.435 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -61.2 | -27 | 173.4 | -68.4 | 162.2 | 119 | 0 | 0 | 113.3 | T162 F169 | T162-E165 VanDerWaalsContact CB-OE2 3.32Å; T162-E165 WeakPolarHBondContact CB-OE2 3.43Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.24Å; T162-E165 PolarHBondContact N-OE2 3.03Å; T162-E165 WeakPolarHBondContact OG1-CG 3.5Å; T162-E165 PolarHBondContact OG1-N 3.35Å; T162-E165 PolarHBondContact OG1-OE2 3.13Å; E165-F169 WeakPolarHBondContact O-CB 3.45Å; E165-F169 PolarHBondContact O-N 3.02Å |
| 166 | I | 44.1 | Very low | 39.5 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 39% | 0.385 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -81.1 | -33.7 | 176.2 | -65.6 | 168.2 | 0 | 0 | 0 | 111.4 | P161 T162 L163 E164 L170 | P161-I166 HydrophobicContact CB-CD1 4.37Å; P161-I166 HydrophobicContact CB-CG1 4.22Å; P161-I166 HydrophobicContact CG-CD1 4.25Å; P161-I166 HydrophobicContact CG-CG1 4.46Å; T162-I166 WeakPolarHBondContact O-CG1 3.47Å; T162-I166 PolarHBondContact O-N 2.89Å; L163-I166 PolarHBondContact O-N 3.46Å; E164-I166 PolarHBondContact O-N 3.14Å; I166-L170 HydrophobicContact CG2-CD1 4.2Å; I166-L170 WeakPolarHBondContact O-CB 3.38Å; I166-L170 WeakPolarHBondContact O-CD1 3.39Å; I166-L170 VanDerWaalsContact O-CG 3.22Å; I166-L170 WeakPolarHBondContact O-CG 3.38Å; I166-L170 PolarHBondContact O-N 3.37Å |
| 167 | E | 46 | Very low | 39.2 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 57% | 0.57 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.8 | -41.3 | 176.2 | -73.1 | 178.4 | 168.7 | 0 | 0 | 110.6 | L163 E164 L170 E171 | L163-E167 WeakPolarHBondContact O-CG 3.21Å; L163-E167 PolarHBondContact O-N 3.44Å; E164-E167 PolarHBondContact O-N 3.25Å; E164-E167 VanDerWaalsContact O-N 3.11Å; E167-L170 PolarHBondContact O-N 2.84Å; E167-L170 VanDerWaalsContact O-N 3.13Å; E167-E171 PolarHBondContact O-N 2.86Å |
| 168 | E | 45.6 | Very low | 39.2 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 61% | 0.607 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -57.9 | -49.8 | 173 | -172.6 | 170 | -140.4 | 0 | 0 | 112.1 | E164 L170 E171 E172 | E164-E168 WeakPolarHBondContact O-CB 3.37Å; E164-E168 PolarHBondContact O-N 3.04Å; E168-L170 PolarHBondContact O-N 3.13Å; E168-E171 PolarHBondContact O-N 2.87Å; E168-E171 VanDerWaalsContact O-N 3.11Å; E168-E172 PolarHBondContact O-N 3.48Å |
| 169 | F | 36.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 128 Ų | 128 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.5 | -27.1 | 176.5 | -175.2 | -96.2 | 0 | 0 | 0 | 113.5 | E165 N173 | E165-F169 WeakPolarHBondContact O-CB 3.45Å; E165-F169 PolarHBondContact O-N 3.02Å; F169-N173 PolarHBondContact O-ND2 3.24Å |
| 170 | L | 48.4 | Very low | 39.3 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 48% | 0.482 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -82.4 | -25.5 | 175.9 | -75.2 | 171.1 | 0 | 0 | 0 | 113 | I166 E167 E168 M174 | I166-L170 HydrophobicContact CG2-CD1 4.2Å; I166-L170 WeakPolarHBondContact O-CB 3.38Å; I166-L170 WeakPolarHBondContact O-CD1 3.39Å; I166-L170 VanDerWaalsContact O-CG 3.22Å; I166-L170 WeakPolarHBondContact O-CG 3.38Å; I166-L170 PolarHBondContact O-N 3.37Å; E167-L170 PolarHBondContact O-N 2.84Å; E167-L170 VanDerWaalsContact O-N 3.13Å; E168-L170 PolarHBondContact O-N 3.13Å; L170-M174 WeakPolarHBondContact O-CE 3.49Å; L170-M174 WeakPolarHBondContact O-CG 3.49Å |
| 171 | E | 49.4 | Very low | 39.1 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -81.4 | -39.8 | 175.5 | -69.1 | -170.5 | 164.3 | 0 | 0 | 111.8 | E167 E168 N173 | E167-E171 PolarHBondContact O-N 2.86Å; E168-E171 PolarHBondContact O-N 2.87Å; E168-E171 VanDerWaalsContact O-N 3.11Å; E171-N173 VanDerWaalsContact C-N 3.27Å; E171-N173 PolarHBondContact O-N 2.98Å |
| 172 | E | 43.1 | Very low | 38.7 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.4 | -29.8 | 174.4 | -73 | -163.2 | 132.1 | 0 | 0 | 113.6 | E168 | E168-E172 PolarHBondContact O-N 3.48Å |
| 173 | N | 44.3 | Very low | 37.8 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 20.9 | -172.7 | -71.5 | -87.6 | 0 | 0 | 0 | 114.3 | F169 E171 | F169-N173 PolarHBondContact O-ND2 3.24Å; E171-N173 VanDerWaalsContact C-N 3.27Å; E171-N173 PolarHBondContact O-N 2.98Å |
| 174 | M | 43.3 | Very low | 36.8 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -129.3 | 24.5 | 179.3 | -72.6 | -158.9 | -61.2 | 0 | 0 | 115.2 | L170 | L170-M174 WeakPolarHBondContact O-CE 3.49Å; L170-M174 WeakPolarHBondContact O-CG 3.49Å | ||
| 175 | E | 41.7 | Very low | 36.1 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | trans | -69.7 | 136.8 | 170.6 | -77.9 | -145.9 | 122.4 | 0 | 0 | 113.4 | ||||
| 176 | M | 26.9 | Very low | 35.5 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | trans | 64.8 | 103.6 | 168 | -57.9 | -151.7 | -63 | 0 | 0 | 119.7 | ||||
| 177 | V | 25.9 | Very low | 34.5 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | -129.8 | 95.1 | 104.9 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | V179 | V177-V179 HydrophobicContact CG1-CG2 4.13Š| |||
| 178 | T | 29 | Very low | 34.4 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | -98.8 | 97.9 | 167.9 | 40.3 | 0 | 0 | 0 | 0 | 109.2 | K180 | T178-K180 PolarHBondContact O-N 3.25Å; T178-K180 VanDerWaalsContact O-N 3.12Å | ||
| 179 | V | 28.2 | Very low | 33.6 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -66 | 113 | 172.8 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | V177 Q181 | V177-V179 HydrophobicContact CG1-CG2 4.13Å; V179-Q181 PolarHBondContact O-N 2.8Å; V179-Q181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | K | 27.8 | Very low | 33.2 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -68 | 103.1 | 165.3 | -81.1 | -172 | 172.5 | -171.8 | 0 | 108.9 | T178 E182 | T178-K180 PolarHBondContact O-N 3.25Å; T178-K180 VanDerWaalsContact O-N 3.12Å; K180-E182 PolarHBondContact O-N 3.2Å | ||
| 181 | Q | 29.1 | Very low | 32.2 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -88.3 | 94.4 | 165.8 | -164.6 | 169.3 | 16.9 | 0 | 0 | 107.6 | V179 | V179-Q181 PolarHBondContact O-N 2.8Å; V179-Q181 VanDerWaalsContact O-N 3.09Å | ||
| 182 | E | 29.7 | Very low | 31.1 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | -69.5 | 147.3 | 173.3 | -63.9 | -165.2 | 161.8 | 0 | 0 | 110.1 | K180 | K180-E182 PolarHBondContact O-N 3.2Š| ||
| 183 | G | 27.5 | Very low | 30.4 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -69.2 | 140.2 | -157.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 184 | F | 23.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -123.9 | 89.4 | 164 | -159.9 | -93.4 | 0 | 0 | 0 | 108.4 | V186 | F184-V186 HydrophobicContact CD1-CG2 3.6Å; F184-V186 HydrophobicContact CE1-CG2 3.69Å | ||
| 185 | D | 27 | Very low | 29 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -66.6 | 132.1 | 176.2 | -88.4 | -69 | 0 | 0 | 0 | 110.9 | ||||
| 186 | V | 27.5 | Very low | 28.4 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -139.5 | 118.1 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 110 | F184 | F184-V186 HydrophobicContact CD1-CG2 3.6Å; F184-V186 HydrophobicContact CE1-CG2 3.69Å | ||
| 187 | G | 24.2 | Very low | 28.5 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 163.4 | 136.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 188 | P | 44.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | cis | -124 | -175 | -20.2 | 38 | -21.3 | 0 | 0 | 0 | 113 | ||||
| 189 | E | 28.1 | Very low | 28.6 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 6.4 | 131.7 | 155.8 | -55.4 | 175 | 132.9 | 0 | 0 | 118 | ||||
| 190 | E | 27.2 | Very low | 28.5 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | -174 | 156.8 | 75.7 | -87.7 | -163.6 | 126.6 | 0 | 0 | 114.1 | |||||
| 191 | T | 28.4 | Very low | 28.4 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 62.1 | 136.5 | 156.3 | 56.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 192 | F | 27.1 | Very low | 28.4 | Very low | 219 Ų | 219 | 141.6 Ų | 141.6 | 96% | 0.961 | 81% | 0.807 | S | S | * | * | trans | -87.8 | 148.6 | 160.8 | -89.8 | -104.7 | 0 | 0 | 0 | 110.9 | ||||
| 193 | G | 27 | Very low | 28.3 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | trans | -176.4 | 113.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 194 | L | 30.5 | Very low | 28.5 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 68.7 | 125.5 | 156.2 | -49.2 | 179.7 | 0 | 0 | 0 | 117.1 | ||||
| 195 | E | 28.4 | Very low | 28.6 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | 65.7 | 133.5 | 99.1 | -58.9 | -177.4 | 126.6 | 0 | 0 | 115.4 | |||||
| 196 | G | 28.3 | Very low | 28.7 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | 166.5 | 144.3 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 197 | G | 28.8 | Very low | 28.8 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 65.3 | -175.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 198 | L | 28.1 | Very low | 29 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | cis | -169.5 | 162.7 | -28.3 | -118.9 | 170.3 | 0 | 0 | 0 | 107.5 | ||||
| 199 | E | 30.3 | Very low | 28.2 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | 63.8 | 125.9 | 171.1 | -58.1 | -178 | 135.5 | 0 | 0 | 116.9 | ||||
| 200 | C | 25.4 | Very low | 28.2 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | cis | 96.4 | 103 | 23.7 | -163.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 201 | C | 27 | Very low | 28.5 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | 60.4 | 155.5 | 164.8 | -64.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 202 | R | 27.8 | Very low | 29.7 | Very low | 243 Ų | 243 | 138.5 Ų | 138.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | cis | -157 | 163 | 26.7 | -154.1 | 176.6 | -161.5 | 154.3 | 3 | 110.1 | ||||
| 203 | A | 27.7 | Very low | 29.8 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 153.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 204 | S | 31.5 | Very low | 30.2 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 168.9 | 145.7 | 109.2 | -85.2 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 205 | T | 27 | Very low | 30.2 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | 59.3 | 128.5 | 141.7 | 57.7 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 206 | S | 28.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 68.5 | 148.7 | 131 | 73.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 207 | E | 30.4 | Very low | 30.5 | Very low | 159 Ų | 159 | 139 Ų | 139 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | cis | -167 | 169.7 | -9 | -131.8 | -165.7 | 115 | 0 | 0 | 109.4 | ||||
| 208 | L | 27.6 | Very low | 30.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 71% | 0.707 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 159.1 | 158.3 | -61.8 | 158.9 | 0 | 0 | 0 | 116.8 | ||||
| 209 | K | 28.1 | Very low | 31.2 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | cis | -172.6 | 148.4 | -24.8 | 174.6 | 157.4 | -177.7 | 165.5 | 0 | 108.5 | ||||
| 210 | L | 27.8 | Very low | 31.2 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | 164.7 | 129.4 | 134.5 | -88.5 | 160.7 | 0 | 0 | 0 | 113.4 | ||||
| 211 | E | 32.6 | Very low | 31.6 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | -106.5 | 154.5 | 159.8 | -75.2 | -99 | 122.5 | 0 | 0 | 106.6 | ||||
| 212 | P | 54.7 | Low | 32.7 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | -143.7 | -171.7 | 75.2 | 40.2 | -19.5 | 0 | 0 | 0 | 112.7 | |||||
| 213 | D | 28.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | cis | -157.8 | 171.2 | 28.4 | -141.2 | -43.2 | 0 | 0 | 0 | 113.8 | ||||
| 214 | A | 34.7 | Very low | 33.2 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | trans | -116.2 | 174 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 215 | K | 30.8 | Very low | 33.2 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -172.8 | 121.2 | 144.7 | -104 | 149.6 | -167.3 | 170.5 | 0 | 116.1 | ||||
| 216 | H | 32.4 | Very low | 33.5 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | 56 | 150.8 | 145.5 | -86.4 | 19.5 | 0 | 0 | 0 | 121 | ||||
| 217 | S | 30.3 | Very low | 34.1 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | cis | -168 | 148.4 | -5.4 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 218 | D | 33.6 | Very low | 34.2 | Very low | 133 Ų | 133 | 134 Ų | 134 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 52.8 | 146.4 | 145.3 | -70.6 | 21.9 | 0 | 0 | 0 | 121.2 | ||||
| 219 | Q | 38.1 | Very low | 35.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | cis | -161.6 | 171.6 | 2.4 | -126.6 | 176.3 | 68.5 | 0 | 0 | 111.6 | ||||
| 220 | T | 29.9 | Very low | 36 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 76.8 | 138.7 | 161.2 | 14.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 221 | V | 35.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -151.1 | 138.1 | 178.7 | 161.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 222 | P | 50.3 | Low | 36.3 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | -158.1 | 138.5 | 117.7 | 36 | -15.4 | 0 | 0 | 0 | 119.1 | |||||
| 223 | I | 34.2 | Very low | 35.4 | Very low | 167 Ų | 167 | 125 Ų | 125 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | 63.7 | 141.9 | 126.9 | -58.4 | 168.4 | 0 | 0 | 0 | 118.3 | |||||
| 224 | A | 31.4 | Very low | 35.7 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | cis | -129.5 | -176.2 | 17.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 225 | G | 31.3 | Very low | 36.9 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | 92.7 | 134.8 | 17.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 226 | T | 32.6 | Very low | 37 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | cis | -148.7 | 178.7 | 12 | 57 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 227 | S | 41.1 | Very low | 37 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | trans | -79.6 | 170.9 | 171.5 | 43.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 228 | D | 33.3 | Very low | 37 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | 176.9 | 178 | 71.1 | -97.1 | -60.8 | 0 | 0 | 0 | 113.7 | |||||
| 229 | P | 57.2 | Low | 36.9 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -124.4 | 175.4 | -171.4 | 43.7 | -32.4 | 0 | 0 | 0 | 118.6 | ||||
| 230 | A | 35.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 122.2 Ų | 122.2 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | 82 | 138 | 147.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 231 | M | 30.9 | Very low | 36.2 | Very low | 178 Ų | 178 | 120.7 Ų | 120.7 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -163.7 | 124.7 | 157.7 | -90.5 | -69.3 | -172.3 | 0 | 0 | 106.2 | ||||
| 232 | A | 37 | Very low | 36 | Very low | 89 Ų | 89 | 120.8 Ų | 120.8 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | 74 | 134.1 | 75.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 233 | A | 34.5 | Very low | 35.1 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | -170.2 | 150.8 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 234 | L | 34.8 | Very low | 35.6 | Very low | 158 Ų | 158 | 120.1 Ų | 120.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | 68.8 | 167.2 | 147.4 | -73.3 | 172.9 | 0 | 0 | 0 | 121.7 | ||||
| 235 | P | 60.9 | Low | 35.5 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -138.2 | 146.6 | -11.2 | 25.4 | -1.6 | 0 | 0 | 0 | 119.3 | ||||
| 236 | V | 33.5 | Very low | 35.4 | Very low | 133 Ų | 133 | 126.4 Ų | 126.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 148.1 | 131.6 | 179.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 237 | S | 31.3 | Very low | 35 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -152.8 | 144.1 | 12.2 | 28.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 238 | K | 30.4 | Very low | 34.4 | Very low | 217 Ų | 217 | 128 Ų | 128 | 94% | 0.943 | 78% | 0.776 | S | S | * | * | trans | 39.7 | 160.1 | 139.2 | -72.8 | -176.4 | 175 | 179.1 | 0 | 123.6 | ||||
| 239 | A | 30.6 | Very low | 34.3 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -134.8 | 165.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 240 | S | 28.5 | Very low | 33 | Very low | 119 Ų | 119 | 127 Ų | 127 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 177.2 | 158.7 | 136 | -161.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 241 | S | 26 | Very low | 32.6 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 85.6 | 109.3 | 141.3 | -154 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 242 | V | 30.5 | Very low | 32.6 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 140.7 | 130.5 | 174.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 243 | N | 31.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | -94.6 | 150 | 174 | -147.3 | 3.1 | 0 | 0 | 0 | 109 | ||||
| 244 | P | 45.6 | Very low | 32.4 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | -155.4 | -165.8 | 71.8 | 43.6 | -22.3 | 0 | 0 | 0 | 116.2 | |||||
| 245 | T | 29.3 | Very low | 32.2 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -55.6 | 147.5 | 172.5 | 51.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 246 | H | 28.6 | Very low | 30.5 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -156.7 | 172.5 | 121.9 | -144.9 | -93.7 | 0 | 0 | 0 | 113.5 | |||||
| 247 | E | 23.8 | Very low | 30.3 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -77 | 169.5 | -174.1 | -56.6 | 177 | 101.8 | 0 | 0 | 116.6 | ||||
| 248 | S | 29.5 | Very low | 30.1 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -54.5 | 167.3 | 163.3 | 54.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 249 | V | 31 | Very low | 30.4 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | -170.2 | 142.2 | 128.1 | 135 | 0 | 0 | 0 | 0 | 114 | |||||
| 250 | A | 29 | Very low | 30.9 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 58.8 | 142.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 251 | G | 26.8 | Very low | 31.1 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | cis | 163.5 | -174.9 | -9.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 252 | A | 30.9 | Very low | 31.3 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 68.9 | 140.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 253 | K | 34 | Very low | 31.4 | Very low | 205 Ų | 205 | 136.6 Ų | 136.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | cis | -131.8 | 167.7 | 7.5 | -69 | 178.2 | 178.7 | 174.4 | 0 | 112.2 | ||||
| 254 | K | 35 | Very low | 31.2 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | trans | -79 | 168 | 168.2 | -52.5 | 176 | -176.9 | 178.5 | 0 | 109.3 | ||||
| 255 | T | 28.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | cis | -157.7 | 171.6 | 37.6 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 256 | S | 26.1 | Very low | 30.8 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -44 | 165.8 | 163.5 | -142.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 257 | T | 29.2 | Very low | 30.8 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | -172.1 | 152.8 | 55.1 | -34.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 258 | N | 27.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 18.6 | 131.3 | 156.8 | -67.4 | -23.3 | 0 | 0 | 0 | 124.9 | ||||
| 259 | K | 37 | Very low | 31.2 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | 32.2 | 123.7 | 128.8 | -155.5 | -167.4 | -177.4 | -173.6 | 0 | 120.4 | |||||
| 260 | P | 41.6 | Very low | 31.3 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | -136 | 169.4 | 110.8 | 43.6 | -33.6 | 0 | 0 | 0 | 110.8 | |||||
| 261 | S | 31 | Very low | 31.4 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | cis | 75.1 | 111.6 | 29.7 | -146.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 262 | L | 30 | Very low | 31.8 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -158 | 137.1 | 168.9 | -108.3 | 167 | 0 | 0 | 0 | 111.1 | ||||
| 263 | E | 33.3 | Very low | 32.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -112.8 | -175.8 | 161.1 | -64.6 | -174.5 | 102.2 | 0 | 0 | 108.3 | ||||
| 264 | D | 27.7 | Very low | 31.9 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 65.3 | 151.2 | 173.3 | -80.5 | -29.2 | 0 | 0 | 0 | 117.9 | ||||
| 265 | R | 33.1 | Very low | 31.6 | Very low | 220 Ų | 220 | 133 Ų | 133 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | cis | -158.1 | 154.2 | -28.3 | -164.3 | 161.6 | 173.4 | 164.7 | -4.3 | 110.8 | ||||
| 266 | S | 32.3 | Very low | 31.7 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -42 | 136.9 | -178.8 | -36.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 267 | T | 29.2 | Very low | 31.8 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -150.2 | 119.6 | 140.5 | 41.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 268 | S | 31.1 | Very low | 32 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 22.3 | 130 | 144.4 | 61.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 269 | S | 31.4 | Very low | 32.3 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | 130 | 140 | 112.1 | 71.8 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 270 | S | 31.8 | Very low | 32.1 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 69 | 154.6 | 156.2 | 78.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 271 | G | 30.5 | Very low | 31.5 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 87.8 | 80.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 272 | T | 36.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54 | 138.8 | 164.9 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 273 | P | 36.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 159.5 | 147.7 | 34.8 | -30 | 0 | 0 | 0 | 112.4 | ||
| 274 | V | 29.4 | Very low | 31.4 | Very low | 131 Ų | 131 | 143 Ų | 143 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 139.8 | -169.2 | 175.6 | 0 | 0 | 0 | 0 | 113.5 | V276 | V274-V276 HydrophobicContact CG1-CG2 4.04Š|
| 275 | I | 30.1 | Very low | 31.6 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 130.5 | 163.4 | -59.9 | 173.4 | 0 | 0 | 0 | 108.9 | ||
| 276 | V | 29.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -120.1 | 129.1 | 162 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | V274 | V274-V276 HydrophobicContact CG1-CG2 4.04Š| ||
| 277 | Q | 28.3 | Very low | 32.1 | Very low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -87.7 | 156.7 | 179.1 | -63.6 | 178.2 | -29.1 | 0 | 0 | 111.8 | ||||
| 278 | I | 33.2 | Very low | 32.3 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | -119.4 | 137.7 | 146.2 | -62.5 | -179.2 | 0 | 0 | 0 | 106.8 | ||||
| 279 | Q | 33.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -97.4 | 154.4 | -167.4 | -66.4 | -172.9 | 12.4 | 0 | 0 | 113.5 | ||||
| 280 | P | 33.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -77.4 | 153.9 | 170.3 | 33.5 | -35.7 | 0 | 0 | 0 | 112.3 | ||||
| 281 | I | 28.7 | Very low | 33 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 89% | 0.892 | 78% | 0.778 | S | S | * | * | trans | -104.1 | 136.2 | 174.9 | -62.3 | -179.8 | 0 | 0 | 0 | 110.3 | ||||
| 282 | R | 31.6 | Very low | 33.1 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -83.3 | 156.6 | -173.4 | -73.2 | 168.5 | 152.1 | 166.7 | -9.4 | 114 | ||||
| 283 | V | 29.8 | Very low | 33.1 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | trans | -128.6 | 110.6 | 143.6 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 284 | K | 30.5 | Very low | 33.1 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | 20.3 | 111.5 | 159.6 | -64.1 | 179.7 | 178.3 | 178.7 | 0 | 122.1 | ||||
| 285 | Q | 33.1 | Very low | 33.2 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 163.2 | 137.4 | -102.3 | 175.4 | -71.6 | 0 | 0 | 111.3 | ||||
| 286 | E | 32.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 58% | 0.579 | 78% | 0.778 | S | S | * | * | cis | -154.4 | -143.8 | -10.3 | -150.8 | -171.1 | 104.3 | 0 | 0 | 107.8 | T288 | E286-T288 WeakPolarHBondContact OE1-CB 3.21Å; E286-T288 PolarHBondContact OE1-N 2.89Å; E286-T288 PolarHBondContact OE1-OG1 3.26Å | ||
| 287 | P | 42.5 | Very low | 34.3 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | cis | -122.7 | 166.9 | 14.8 | 42.6 | -27 | 0 | 0 | 0 | 117.3 | ||||
| 288 | T | 34.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 64% | 0.638 | 79% | 0.787 | S | S | * | * | trans | -84.5 | 144.1 | 179.2 | -65.3 | 0 | 0 | 0 | 0 | 115.7 | E286 | E286-T288 WeakPolarHBondContact OE1-CB 3.21Å; E286-T288 PolarHBondContact OE1-N 2.89Å; E286-T288 PolarHBondContact OE1-OG1 3.26Å | ||
| 289 | L | 30.1 | Very low | 34.7 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -144.7 | 119.1 | 153 | -80 | -176.5 | 0 | 0 | 0 | 113.4 | ||||
| 290 | T | 33.2 | Very low | 35 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | trans | 33.1 | 141 | 150.4 | 53.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 291 | P | 44.4 | Very low | 34.9 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -79.8 | 154 | -180 | 35 | -37 | 0 | 0 | 0 | 114.3 | ||||
| 292 | V | 32.1 | Very low | 35.2 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -133.5 | 141.4 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 293 | T | 37 | Very low | 35.5 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 144.1 | -177.8 | -46.6 | 0 | 0 | 0 | 0 | 113.7 | A295 | T293-A295 PolarHBondContact O-N 3.04Š|
| 294 | P | 37.6 | Very low | 35.5 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.1 | 172.3 | 26.3 | -35.3 | 0 | 0 | 0 | 112 | ||
| 295 | A | 31.5 | Very low | 35.7 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 161.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T293 | T293-A295 PolarHBondContact O-N 3.04Š|
| 296 | A | 38.5 | Very low | 35.7 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 297 | P | 43.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.5 | 177 | 27.7 | -36.1 | 0 | 0 | 0 | 112.3 | ||
| 298 | P | 36 | Very low | 35.2 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 136.7 | 179.7 | 27.3 | -34.3 | 0 | 0 | 0 | 112.1 | ||
| 299 | S | 33.6 | Very low | 35.1 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 162.8 | 177.2 | 46.5 | 0 | 0 | 0 | 0 | 113 | ||
| 300 | Q | 39.3 | Very low | 35.3 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63 | 145.6 | -178.4 | -62.8 | -179.5 | -10 | 0 | 0 | 112.9 | ||
| 301 | P | 32 | Very low | 35.4 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.2 | 161.5 | 30.6 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 302 | G | 35.1 | Very low | 35 | Very low | 60 Ų | 60 | 130.3 Ų | 130.3 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | trans | -75.5 | -179 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V304 | G302-V304 PolarHBondContact O-N 2.77Š| ||
| 303 | P | 38.1 | Very low | 35.2 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.9 | -175.3 | 29 | -34.9 | 0 | 0 | 0 | 112.4 | ||
| 304 | V | 30.1 | Very low | 35.5 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 90% | 0.903 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 125.1 | 166.8 | -82.1 | 0 | 0 | 0 | 0 | 110.5 | G302 | G302-V304 PolarHBondContact O-N 2.77Š|
| 305 | S | 34.1 | Very low | 35.2 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 164.3 | 169.7 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 306 | D | 33.4 | Very low | 35.7 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 65.6 | 58.6 | 157.3 | -49.1 | -48.3 | 0 | 0 | 0 | 119.1 | K308 | D306-K308 PolarHBondContact O-N 3.48Š| ||
| 307 | I | 32.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 132 Ų | 132 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -79 | 108 | 154.4 | -59.4 | 178.6 | 0 | 0 | 0 | 109.2 | I309 | I307-I309 HydrophobicContact CG2-CG1 4.3Å; I307-I309 PolarHBondContact O-N 3.3Å | ||
| 308 | K | 33 | Very low | 36.1 | Very low | 203 Ų | 203 | 129.4 Ų | 129.4 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -74.4 | 102.9 | 168.7 | -72.6 | -178.3 | 179.5 | 175.2 | 0 | 110.2 | D306 A310 | D306-K308 PolarHBondContact O-N 3.48Å; K308-A310 PolarHBondContact O-N 3.39Å | ||
| 309 | I | 32.2 | Very low | 36.3 | Very low | 129 Ų | 129 | 129 Ų | 129 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | trans | -75.9 | 118 | 174.7 | -58.9 | 175.4 | 0 | 0 | 0 | 109.4 | I307 | I307-I309 HydrophobicContact CG2-CG1 4.3Å; I307-I309 PolarHBondContact O-N 3.3Å | ||
| 310 | A | 32.9 | Very low | 36.3 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -75.5 | 134.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | K308 L312 | K308-A310 PolarHBondContact O-N 3.39Å; A310-L312 PolarHBondContact O-N 3.26Å | ||
| 311 | Q | 35.2 | Very low | 36.3 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -79.4 | 111.9 | 179.1 | -72.5 | 175.9 | -31.8 | 0 | 0 | 110.8 | ||||
| 312 | L | 36.5 | Very low | 36.4 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 80% | 0.801 | 70% | 0.696 | S | S | * | * | trans | -79.5 | 115.7 | 166 | -82.9 | 162.9 | 0 | 0 | 0 | 109.4 | A310 | A310-L312 PolarHBondContact O-N 3.26Š| ||
| 313 | L | 37.2 | Very low | 36.6 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 56% | 0.56 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98 | 122.9 | 172.6 | -61.4 | 173.4 | 0 | 0 | 0 | 108.8 | T320 | L313-T320 HydrophobicContact CB-CG2 4.22Å; L313-T320 HydrophobicContact CD1-CG2 4.22Å; L313-T320 HydrophobicContact CD2-CG2 4.03Å; L313-T320 HydrophobicContact CG-CG2 4.39Å |
| 314 | V | 42.6 | Very low | 36.5 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 50% | 0.503 | 70% | 0.695 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.6 | 172.4 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | I316 | V314-I316 HydrophobicContact CG1-CD1 4.42Å; V314-I316 HydrophobicContact CG1-CG1 4.13Å |
| 315 | N | 32.3 | Very low | 36.6 | Very low | 107 Ų | 107 | 123 Ų | 123 | 57% | 0.572 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.2 | 178.7 | -179.3 | -4.8 | 0 | 0 | 0 | 109.2 | G318 | N315-G318 WeakPolarHBondContact OD1-CA 3.48Å; N315-G318 PolarHBondContact OD1-N 3.25Å; N315-G318 VanDerWaalsContact OD1-N 3.12Å |
| 316 | I | 41.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 57% | 0.569 | 69% | 0.688 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.2 | 172.9 | -51.4 | -179.6 | 0 | 0 | 0 | 107.1 | V314 G318 Q319 | V314-I316 HydrophobicContact CG1-CD1 4.42Å; V314-I316 HydrophobicContact CG1-CG1 4.13Å; I316-G318 PolarHBondContact O-N 3.42Å; I316-G318 VanDerWaalsContact O-N 3.13Å; I316-Q319 PolarHBondContact O-N 2.82Å |
| 317 | Q | 37.8 | Very low | 36.5 | Very low | 199 Ų | 199 | 127 Ų | 127 | 93% | 0.93 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52 | 32.3 | 179.5 | -64.8 | -178.9 | -6.8 | 0 | 0 | 115.1 | Q319 | Q317-Q319 PolarHBondContact O-N 3.46Š|
| 318 | G | 52.2 | Low | 36.4 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.3 | 12.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | N315 I316 | N315-G318 WeakPolarHBondContact OD1-CA 3.48Å; N315-G318 PolarHBondContact OD1-N 3.25Å; N315-G318 VanDerWaalsContact OD1-N 3.12Å; I316-G318 PolarHBondContact O-N 3.42Å; I316-G318 VanDerWaalsContact O-N 3.13Å |
| 319 | Q | 39.6 | Very low | 36.3 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 59% | 0.589 | 68% | 0.682 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.4 | 168.8 | -67.1 | -171.1 | 4.1 | 0 | 0 | 110.6 | I316 Q317 F321 | I316-Q319 PolarHBondContact O-N 2.82Å; Q317-Q319 PolarHBondContact O-N 3.46Å; Q319-F321 HydrophobicContact CB-CD2 4.46Å; Q319-F321 HydrophobicContact CB-CE2 3.59Å; Q319-F321 HydrophobicContact CB-CZ 3.66Å; Q319-F321 WeakPolarHBondContact O-CD2 3.47Å; Q319-F321 WeakPolarHBondContact O-CE2 3.4Å |
| 320 | T | 33.9 | Very low | 36.2 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.3 | -177.6 | -49.3 | 0 | 0 | 0 | 0 | 109.7 | L313 | L313-T320 HydrophobicContact CB-CG2 4.22Å; L313-T320 HydrophobicContact CD1-CG2 4.22Å; L313-T320 HydrophobicContact CD2-CG2 4.03Å; L313-T320 HydrophobicContact CG-CG2 4.39Å |
| 321 | F | 40.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 50% | 0.504 | 70% | 0.695 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 126.2 | 179.9 | -61.6 | -81.8 | 0 | 0 | 0 | 111.1 | Q319 | Q319-F321 HydrophobicContact CB-CD2 4.46Å; Q319-F321 HydrophobicContact CB-CE2 3.59Å; Q319-F321 HydrophobicContact CB-CZ 3.66Å; Q319-F321 WeakPolarHBondContact O-CD2 3.47Å; Q319-F321 WeakPolarHBondContact O-CE2 3.4Å |
| 322 | A | 34.1 | Very low | 36.1 | Very low | 75 Ų | 75 | 120.9 Ų | 120.9 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 111 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V324 | A322-V324 PolarHBondContact O-N 3.03Å |
| 323 | L | 38.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 121.5 Ų | 121.5 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -82.4 | 112 | 175 | -68.5 | 172.8 | 0 | 0 | 0 | 110.3 | ||||
| 324 | V | 35.3 | Very low | 35.5 | Very low | 126 Ų | 126 | 122 Ų | 122 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | trans | -94.4 | 114.7 | 172 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | A322 H326 | A322-V324 PolarHBondContact O-N 3.03Å; V324-H326 PolarHBondContact O-N 3.37Å | ||
| 325 | P | 34.2 | Very low | 34.9 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 62% | 0.623 | 72% | 0.717 | S | S | * | * | trans | -74.6 | 109.5 | -179.8 | 29.2 | -33.2 | 0 | 0 | 0 | 110.5 | I327 | P325-I327 PolarHBondContact O-N 3.23Š| ||
| 326 | H | 31.7 | Very low | 35.1 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 79% | 0.787 | 72% | 0.724 | S | S | * | * | trans | -85.3 | 109.4 | 174.4 | -146.3 | -59.3 | 0 | 0 | 0 | 110.1 | V324 L328 | V324-H326 PolarHBondContact O-N 3.37Å; H326-L328 PolarHBondContact O-N 2.87Å | ||
| 327 | I | 33.6 | Very low | 34.6 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.7 | 172.9 | -58.4 | 175.3 | 0 | 0 | 0 | 108.5 | P325 | P325-I327 PolarHBondContact O-N 3.23Š|
| 328 | L | 28.8 | Very low | 34.2 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 124.9 | 174.8 | -72.6 | 174.8 | 0 | 0 | 0 | 110.5 | H326 | H326-L328 PolarHBondContact O-N 2.87Š|
| 329 | P | 32.4 | Very low | 33.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 161 | 159.2 | 32.5 | -33.2 | 0 | 0 | 0 | 110.8 | ||
| 330 | S | 29.7 | Very low | 32.6 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 143.4 | -170.8 | -49.3 | 0 | 0 | 0 | 0 | 114.8 | S332 | S330-S332 PolarHBondContact O-N 2.8Š|
| 331 | P | 35.9 | Very low | 32.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | trans | -73.6 | 115.3 | -173.7 | 29.2 | -34.9 | 0 | 0 | 0 | 112.4 | ||||
| 332 | S | 29.2 | Very low | 31.9 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -133.7 | 148.4 | 163.7 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | S330 | S330-S332 PolarHBondContact O-N 2.8Š| ||
| 333 | L | 29.4 | Very low | 31.9 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 63.5 | 117.5 | 173.1 | -55.3 | 179.6 | 0 | 0 | 0 | 117.8 | ||||
| 334 | S | 32.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -83.1 | 128.5 | 165.8 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 335 | V | 29.7 | Very low | 31.6 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -137.9 | 123.8 | 158.4 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | K337 | V335-K337 PolarHBondContact O-N 3.44Š| ||
| 336 | S | 37 | Very low | 31.7 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | -65.4 | 95.6 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | F338 | S336-F338 PolarHBondContact O-N 3.2Š| ||
| 337 | K | 31.8 | Very low | 31.7 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -84.3 | 109.9 | 168.4 | -76.2 | -176.1 | 177.3 | 176.4 | 0 | 109.8 | V335 V339 | V335-K337 PolarHBondContact O-N 3.44Å; K337-V339 PolarHBondContact O-N 3.5Å | ||
| 338 | F | 29.9 | Very low | 31.7 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -58.9 | 125.6 | 166.5 | -72.7 | -100.2 | 0 | 0 | 0 | 109.5 | S336 R340 | S336-F338 PolarHBondContact O-N 3.2Å; F338-R340 VanDerWaalsContact C-N 3.32Å; F338-R340 PolarHBondContact O-N 3.44Å | ||
| 339 | V | 29 | Very low | 32.2 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -72.4 | 90.7 | 170.3 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | K337 I341 | K337-V339 PolarHBondContact O-N 3.5Å; V339-I341 HydrophobicContact CG1-CG1 3.98Å; V339-I341 PolarHBondContact O-N 3.03Å; V339-I341 VanDerWaalsContact O-N 3.09Å | ||
| 340 | R | 29.1 | Very low | 32.5 | Very low | 234 Ų | 234 | 137.7 Ų | 137.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 93.4 | 166.2 | -77.2 | -175.2 | 173.2 | 173.9 | -2.2 | 108.4 | F338 A342 | F338-R340 VanDerWaalsContact C-N 3.32Å; F338-R340 PolarHBondContact O-N 3.44Å; R340-A342 PolarHBondContact O-N 3.48Å; R340-A342 VanDerWaalsContact O-N 3.13Å | ||
| 341 | I | 31.1 | Very low | 32.7 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | trans | -66.9 | 107.9 | 164.8 | -54.8 | 179.8 | 0 | 0 | 0 | 106.9 | V339 | V339-I341 HydrophobicContact CG1-CG1 3.98Å; V339-I341 PolarHBondContact O-N 3.03Å; V339-I341 VanDerWaalsContact O-N 3.09Å | ||
| 342 | A | 27.7 | Very low | 32.5 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79 | 121.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R340 V344 | R340-A342 PolarHBondContact O-N 3.48Å; R340-A342 VanDerWaalsContact O-N 3.13Å; A342-V344 PolarHBondContact O-N 3.37Å |
| 343 | P | 34.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 130 | 176.5 | 28.4 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 344 | V | 33.4 | Very low | 32.6 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72 | 130 | 171.4 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | A342 I346 | A342-V344 PolarHBondContact O-N 3.37Å; V344-I346 PolarHBondContact O-N 3.44Å; V344-I346 VanDerWaalsContact O-N 3.14Å |
| 345 | P | 34.3 | Very low | 32.7 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -73.7 | 106 | 179.3 | 29 | -33.8 | 0 | 0 | 0 | 111.1 | ||||
| 346 | I | 35.7 | Very low | 33 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 82% | 0.821 | 82% | 0.815 | S | S | * | * | trans | -81.9 | 120.2 | 166.4 | -59.4 | 177.6 | 0 | 0 | 0 | 107.9 | V344 A348 | V344-I346 PolarHBondContact O-N 3.44Å; V344-I346 VanDerWaalsContact O-N 3.14Å; I346-A348 PolarHBondContact O-N 2.79Å | ||
| 347 | A | 31.3 | Very low | 32.9 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -74.2 | 122.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 348 | A | 33.6 | Very low | 33 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | -108.6 | 135.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I346 | I346-A348 PolarHBondContact O-N 2.79Š| ||
| 349 | K | 39 | Very low | 33.3 | Very low | 208 Ų | 208 | 132 Ų | 132 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -94.9 | 135.2 | 171.5 | -84.2 | 177.4 | 172.3 | 175.4 | 0 | 110.1 | ||||
| 350 | P | 40.2 | Very low | 33.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -89.2 | 128.8 | 179.5 | 33.3 | -32.8 | 0 | 0 | 0 | 113.1 | ||||
| 351 | L | 32.9 | Very low | 34 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | trans | -148.2 | 137.2 | 157.3 | -64 | 174.4 | 0 | 0 | 0 | 105.9 | ||||
| 352 | G | 31.4 | Very low | 34.2 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | cis | 165.9 | 115.8 | -10.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 353 | L | 31 | Very low | 34.5 | Very low | 195 Ų | 195 | 127 Ų | 127 | 100% | 1.021 | 82% | 0.816 | S | S | * | * | trans | 65.4 | 148 | 173.7 | -65.6 | 161.4 | 0 | 0 | 0 | 117.8 | ||||
| 354 | G | 30.9 | Very low | 34.6 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | 144.3 | 78.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 355 | E | 33.3 | Very low | 34.9 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -86.6 | 165.4 | 168.5 | -53.3 | 175.9 | 135.1 | 0 | 0 | 109.3 | ||||
| 356 | S | 36.6 | Very low | 35.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | cis | -157.1 | 178.2 | 17.9 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 357 | A | 34.7 | Very low | 35.6 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | 31.6 | 140.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 358 | A | 34.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | cis | -171.5 | 150.3 | -12.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 359 | S | 35.8 | Very low | 36.7 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | 175.4 | 118.5 | 134.4 | -167.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 360 | Q | 40.1 | Very low | 36.6 | Very low | 192 Ų | 192 | 130.2 Ų | 130.2 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 27.7 | 92.2 | 142.3 | -51.4 | -177.7 | 30.6 | 0 | 0 | 120.5 | ||||
| 361 | A | 32.4 | Very low | 36.3 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -163.4 | 135.9 | 136 | 0 | 0 | 0 | 0 | 0 | 110.6 | A363 | A361-A363 VanDerWaalsContact C-N 3.34Å; A361-A363 PolarHBondContact O-N 2.82Å | ||
| 362 | S | 35.3 | Very low | 36.9 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | -79.2 | 73.8 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 363 | A | 34.3 | Very low | 37.7 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 58% | 0.579 | 80% | 0.803 | S | S | * | * | trans | -95.6 | 116.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A361 L365 | A361-A363 VanDerWaalsContact C-N 3.34Å; A361-A363 PolarHBondContact O-N 2.82Å; A363-L365 HydrophobicContact CB-CG 4.39Å; A363-L365 PolarHBondContact O-N 3.37Å | ||
| 364 | I | 35.4 | Very low | 38.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | -76.6 | 91.4 | 172.1 | -61.3 | 175.1 | 0 | 0 | 0 | 108.6 | I366 | I364-I366 HydrophobicContact CG2-CD1 4.17Å; I364-I366 HydrophobicContact CG2-CG1 4.09Å; I364-I366 PolarHBondContact O-N 3.42Å | ||
| 365 | L | 40.3 | Very low | 39.2 | Very low | 158 Ų | 158 | 131.9 Ų | 131.9 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | -87 | 90 | 177.8 | -71.5 | 172.7 | 0 | 0 | 0 | 111.3 | A363 | A363-L365 HydrophobicContact CB-CG 4.39Å; A363-L365 PolarHBondContact O-N 3.37Å | ||
| 366 | I | 44.6 | Very low | 40.2 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -101.2 | 102 | 165.4 | -60.1 | 175.4 | 0 | 0 | 0 | 108.5 | I364 | I364-I366 HydrophobicContact CG2-CD1 4.17Å; I364-I366 HydrophobicContact CG2-CG1 4.09Å; I364-I366 PolarHBondContact O-N 3.42Å | ||
| 367 | G | 39.6 | Very low | 41.1 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 73.9 | 113.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q369 | G367-Q369 PolarHBondContact O-N 3.08Š|
| 368 | G | 48.1 | Very low | 42.1 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 93% | 0.928 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -72 | 46.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 369 | Q | 41 | Very low | 43.6 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -106.9 | 106 | 162.8 | -74.3 | -169.6 | 3 | 0 | 0 | 109.8 | G367 F371 | G367-Q369 PolarHBondContact O-N 3.08Å; Q369-F371 HydrophobicContact CB-CD2 4.23Å; Q369-F371 HydrophobicContact CB-CE2 4.18Å; Q369-F371 PolarHBondContact O-N 3.43Å | ||
| 370 | R | 35.7 | Very low | 45.6 | Very low | 228 Ų | 228 | 127.7 Ų | 127.7 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -68.7 | 86.6 | 165.7 | -170.6 | -177.7 | -164 | 166.9 | 4.3 | 107.7 | Q372 | R370-Q372 VanDerWaalsContact C-N 3.27Å; R370-Q372 PolarHBondContact O-N 3.28Å | ||
| 371 | F | 35.5 | Very low | 47.6 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 77% | 0.768 | 71% | 0.712 | S | S | * | * | trans | -58.5 | 95.9 | 167.4 | -87.3 | -89.7 | 0 | 0 | 0 | 108.2 | Q369 K373 | Q369-F371 HydrophobicContact CB-CD2 4.23Å; Q369-F371 HydrophobicContact CB-CE2 4.18Å; Q369-F371 PolarHBondContact O-N 3.43Å; F371-K373 PolarHBondContact O-N 3.21Å | ||
| 372 | Q | 45.3 | Very low | 50.4 | Low | 150 Ų | 150 | 126.3 Ų | 126.3 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 132.7 | 158.1 | -64.2 | -76.1 | 26.8 | 0 | 0 | 106.5 | R370 S374 | R370-Q372 VanDerWaalsContact C-N 3.27Å; R370-Q372 PolarHBondContact O-N 3.28Å; Q372-S374 PolarHBondContact O-N 3.36Å |
| 373 | K | 47 | Very low | 53 | Low | 182 Ų | 182 | 122.3 Ų | 122.3 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 130 | 166.8 | -68.7 | 177.9 | -179.1 | 174.9 | 0 | 106.3 | F371 | F371-K373 PolarHBondContact O-N 3.21Š|
| 374 | S | 41.4 | Very low | 55.7 | Low | 75 Ų | 75 | 125 Ų | 125 | 52% | 0.524 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 128.5 | -172.6 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | Q372 V376 A377 | Q372-S374 PolarHBondContact O-N 3.36Å; S374-V376 PolarHBondContact O-N 3.46Å; S374-A377 WeakPolarHBondContact O-CB 3.44Å; S374-A377 PolarHBondContact O-N 3.22Å |
| 375 | P | 53.2 | Low | 58.5 | Low | 92 Ų | 92 | 117.8 Ų | 117.8 | 60% | 0.597 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -19.3 | -175.3 | -28 | 35.3 | 0 | 0 | 0 | 114.5 | A377 D378 | P375-A377 PolarHBondContact O-N 3.4Å; P375-D378 PolarHBondContact O-N 3.24Å |
| 376 | V | 53 | Low | 60.9 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.7 | -27.4 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | S374 I380 | S374-V376 PolarHBondContact O-N 3.46Å; V376-I380 HydrophobicContact CG1-CD1 4.36Å; V376-I380 WeakPolarHBondContact O-CG1 3.31Å |
| 377 | A | 56.3 | Low | 63.1 | Low | 56 Ų | 56 | 113 Ų | 113 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.2 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S374 P375 | S374-A377 WeakPolarHBondContact O-CB 3.44Å; S374-A377 PolarHBondContact O-N 3.22Å; P375-A377 PolarHBondContact O-N 3.4Å |
| 378 | D | 56.2 | Low | 65.5 | Low | 144 Ų | 144 | 114.8 Ų | 114.8 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -86.9 | -12.8 | -174.3 | -57.4 | -47.8 | 0 | 0 | 0 | 112.7 | P375 | P375-D378 PolarHBondContact O-N 3.24Å |
| 379 | L | 64.5 | Low | 67.4 | Low | 147 Ų | 147 | 114.3 Ų | 114.3 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -86.2 | -17 | 175.1 | -87.6 | 156.6 | 0 | 0 | 0 | 114.1 | K381 | L379-K381 PolarHBondContact O-N 3.44Å; L379-K381 VanDerWaalsContact O-N 3.14Å |
| 380 | I | 78.4 | Confident | 69.9 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -82.6 | 95.9 | 179.3 | -59.9 | 163.7 | 0 | 0 | 0 | 109.4 | V376 M382 T395 | V376-I380 HydrophobicContact CG1-CD1 4.36Å; V376-I380 WeakPolarHBondContact O-CG1 3.31Å; I380-M382 HydrophobicContact CB-CE 3.99Å; I380-M382 HydrophobicContact CG2-CE 3.6Å; I380-M382 HydrophobicContact CG2-SD 4.3Å; I380-M382 PolarHBondContact O-N 3.42Å; I380-T395 HydrophobicContact CG2-CG2 3.86Å |
| 381 | K | 81.8 | Confident | 72.5 | Confident | 167 Ų | 167 | 103.6 Ų | 103.6 | 73% | 0.726 | 57% | 0.565 | S | S | * | * | trans | -55.5 | 110.5 | 175.8 | -172.7 | 174 | -175.6 | 174.2 | 0 | 111.2 | L379 | L379-K381 PolarHBondContact O-N 3.44Å; L379-K381 VanDerWaalsContact O-N 3.14Å | ||
| 382 | M | 90.6 | Very high | 75.3 | Confident | 89 Ų | 89 | 100 Ų | 100 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | trans | -88.9 | 129.3 | 179.5 | -62.7 | -64.6 | 168.1 | 0 | 0 | 111.7 | I380 M393 T395 | I380-M382 HydrophobicContact CB-CE 3.99Å; I380-M382 HydrophobicContact CG2-CE 3.6Å; I380-M382 HydrophobicContact CG2-SD 4.3Å; I380-M382 PolarHBondContact O-N 3.42Å; M382-M393 HydrophobicContact CB-CE 3.56Å; M382-M393 HydrophobicContact CG-CE 4.12Å; M382-T395 HydrophobicContact CE-CG2 3.91Å; M382-T395 HydrophobicContact SD-CG2 3.77Å | ||
| 383 | H | 90.8 | Very high | 77.6 | Confident | 52 Ų | 52 | 98.3 Ų | 98.3 | 24% | 0.241 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 106.3 | 174.5 | -57.4 | -83.1 | 0 | 0 | 0 | 110 | M393 Y394 K396 S397 L400 | H383-M393 CarbonylContact O-C 3.55Å; H383-M393 WeakPolarHBondContact O-CA 3.44Å; H383-Y394 PolarHBondContact N-O 3.06Å; H383-Y394 PolarHBondContact O-N 3.44Å; H383-K396 VanDerWaalsContact CD2-C 3.5Å; H383-S397 PolarHBondContact CD2-N 3.34Å; H383-S397 VanDerWaalsContact CD2-N 3.3Å; H383-S397 PolarHBondContact NE2-N 2.95Å; H383-L400 HydrophobicContact CB-CB 4.06Å; H383-L400 HydrophobicContact CB-CD2 3.74Å |
| 384 | K | 91.6 | Very high | 79.7 | Confident | 127 Ų | 127 | 92.1 Ų | 92.1 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 146.3 | 175.9 | -168.1 | -169.2 | 173 | -173 | 0 | 110.9 | M393 L400 | K384-M393 HydrophobicContact CB-CG 4.05Å; K384-M393 HydrophobicContact CG-CG 3.93Å; K384-L400 WeakPolarHBondContact O-CD2 3.29Å |
| 385 | C | 93.9 | Very high | 82.2 | Confident | 5 Ų | 5 | 92.4 Ų | 92.4 | 3% | 0.034 | 51% | 0.514 | C | S | . | . | trans | -66.2 | 134 | 167.4 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | C390 K392 L400 H403 H407 | C385-C390 HydrophobicContact CB-CB 4.17Å; C385-K392 WeakPolarHBondContact CB-O 3.42Å; C385-K392 PolarHBondContact N-O 3.41Å; C385-L400 HydrophobicContact CB-CD1 4.17Å; C385-H403 PolarHBondContact SG-NE2 3.34Å; C385-H407 PolarHBondContact SG-NE2 3.29Å | ||
| 386 | S | 91.3 | Very high | 84 | Confident | 114 Ų | 114 | 94 Ų | 94 | 80% | 0.797 | 51% | 0.511 | S | S | * | . | trans | -83.4 | -14 | 178.4 | -146.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 387 | F | 90.1 | Very high | 85.7 | Confident | 96 Ų | 96 | 93.4 Ų | 93.4 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -72.8 | 131.5 | -174.1 | -164.9 | -92.2 | 0 | 0 | 0 | 111.6 | G389 C390 H407 | F387-G389 PolarHBondContact O-N 2.84Å; F387-C390 HydrophobicContact CB-CB 4.14Å; F387-C390 WeakPolarHBondContact O-CB 3.35Å; F387-C390 PolarHBondContact O-N 2.97Å; F387-H407 HydrophobicContact CB-CB 4.42Å; F387-H407 AromaticContact CD1-CE1 3.81Å; F387-H407 AromaticContact CD1-CG 3.97Å; F387-H407 AromaticContact CD1-ND1 3.56Å; F387-H407 HydrophobicContact CD2-CB 3.63Å; F387-H407 AromaticContact CD2-CG 3.86Å; F387-H407 AromaticContact CE1-ND1 3.95Å; F387-H407 HydrophobicContact CE2-CB 3.96Å; F387-H407 HydrophobicContact CG-CB 3.94Å; F387-H407 AromaticContact CG-CD2 3.81Å; F387-H407 AromaticContact CG-CG 3.6Å; F387-H407 AromaticContact CG-ND1 3.72Å |
| 388 | P | 90.5 | Very high | 87.3 | Confident | 105 Ų | 105 | 94 Ų | 94 | 68% | 0.682 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 139 | -178.6 | 23.3 | -33.6 | 0 | 0 | 0 | 111.8 | C390 | P388-C390 PolarHBondContact O-N 3.47Š|
| 389 | G | 88.6 | Confident | 89 | Confident | 80 Ų | 80 | 91.8 Ų | 91.8 | 83% | 0.825 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -7.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F387 N391 | F387-G389 PolarHBondContact O-N 2.84Å; G389-N391 PolarHBondContact O-N 2.85Å |
| 390 | C | 92.2 | Very high | 90.3 | Very high | 11 Ų | 11 | 86 Ų | 86 | 7% | 0.074 | 47% | 0.466 | C | S | . | . | trans | -96.3 | 90.3 | -177.7 | -155.5 | 0 | 0 | 0 | 0 | 113.9 | C385 F387 P388 K392 H403 H407 | C385-C390 HydrophobicContact CB-CB 4.17Å; F387-C390 HydrophobicContact CB-CB 4.14Å; F387-C390 WeakPolarHBondContact O-CB 3.35Å; F387-C390 PolarHBondContact O-N 2.97Å; P388-C390 PolarHBondContact O-N 3.47Å; C390-K392 PolarHBondContact O-N 3.38Å; C390-H403 PolarHBondContact SG-NE2 3.07Å; C390-H407 WeakPolarHBondContact CB-CE1 3.42Å; C390-H407 WeakPolarHBondContact CB-NE2 3.4Å; C390-H407 PolarHBondContact SG-CE1 2.97Å; C390-H407 PolarHBondContact SG-NE2 3.25Å | ||
| 391 | N | 91.2 | Very high | 90.8 | Very high | 142 Ų | 142 | 89.2 Ų | 89.2 | 76% | 0.759 | 48% | 0.477 | S | S | * | . | trans | -78.5 | 36 | 178.7 | -66.6 | -38.8 | 0 | 0 | 0 | 114.7 | G389 | G389-N391 PolarHBondContact O-N 2.85Š| ||
| 392 | K | 92.9 | Very high | 91.1 | Very high | 99 Ų | 99 | 82.7 Ų | 82.7 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | trans | -95.1 | 140.7 | 179.5 | -64.3 | -170.2 | -175.6 | -60.6 | 0 | 111.7 | C385 C390 Y394 | C385-K392 WeakPolarHBondContact CB-O 3.42Å; C385-K392 PolarHBondContact N-O 3.41Å; C390-K392 PolarHBondContact O-N 3.38Å; K392-Y394 HydrophobicContact CB-CE2 3.75Å | ||
| 393 | M | 93.6 | Very high | 91.1 | Very high | 116 Ų | 116 | 78.9 Ų | 78.9 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.1 | -178.2 | -66.5 | 174.4 | 66.3 | 0 | 0 | 110.3 | M382 H383 K384 | M382-M393 HydrophobicContact CB-CE 3.56Å; M382-M393 HydrophobicContact CG-CE 4.12Å; H383-M393 CarbonylContact O-C 3.55Å; H383-M393 WeakPolarHBondContact O-CA 3.44Å; K384-M393 HydrophobicContact CB-CG 4.05Å; K384-M393 HydrophobicContact CG-CG 3.93Å |
| 394 | Y | 92.8 | Very high | 91.1 | Very high | 52 Ų | 52 | 79 Ų | 79 | 20% | 0.204 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.5 | -170.4 | -64 | -88.1 | 0 | 0 | 0 | 111.9 | H383 K392 K396 H399 L400 H403 | H383-Y394 PolarHBondContact N-O 3.06Å; H383-Y394 PolarHBondContact O-N 3.44Å; K392-Y394 HydrophobicContact CB-CE2 3.75Å; Y394-K396 PolarHBondContact O-N 3.02Å; Y394-H399 HydrophobicContact CD1-CB 3.6Å; Y394-H399 HydrophobicContact CE1-CB 4.41Å; Y394-H399 HydrophobicContact CG-CB 4.12Å; Y394-L400 HydrophobicContact CD2-CB 4.16Å; Y394-L400 HydrophobicContact CD2-CD1 4.17Å; Y394-L400 HydrophobicContact CE2-CD1 4.49Å; Y394-L400 HydrophobicContact CG-CB 4.42Å; Y394-H403 HydrophobicContact CE1-CB 4.42Å; Y394-H403 HydrophobicContact CE2-CB 3.92Å; Y394-H403 AromaticContact CE2-CD2 3.35Å; Y394-H403 WeakPolarHBondContact CE2-CD2 3.42Å; Y394-H403 AromaticContact CE2-CG 3.83Å; Y394-H403 AromaticContact CZ-CD2 3.71Å; Y394-H403 AromaticContact CZ-CG 3.76Å; Y394-H403 PolarHBondContact OH-CD2 3.42Å; Y394-H403 VanDerWaalsContact OH-CG 3.28Å |
| 395 | T | 92.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 75.2 Ų | 75.2 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -75.2 | -6.9 | 175.8 | 52.9 | 0 | 0 | 0 | 0 | 114.3 | I380 M382 | I380-T395 HydrophobicContact CG2-CG2 3.86Å; M382-T395 HydrophobicContact CE-CG2 3.91Å; M382-T395 HydrophobicContact SD-CG2 3.77Å |
| 396 | K | 90.3 | Very high | 90.8 | Very high | 126 Ų | 126 | 81.5 Ų | 81.5 | 55% | 0.548 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -136.4 | 136 | 178.5 | -64.4 | -161.9 | 173.4 | -157.2 | 0 | 110.7 | H383 Y394 S398 H399 L400 | H383-K396 VanDerWaalsContact CD2-C 3.5Å; Y394-K396 PolarHBondContact O-N 3.02Å; K396-S398 VanDerWaalsContact C-N 3.29Å; K396-S398 PolarHBondContact O-N 3.11Å; K396-H399 HydrophobicContact CB-CB 4.44Å; K396-H399 PolarHBondContact O-N 2.9Å; K396-H399 VanDerWaalsContact O-N 3.14Å; K396-L400 PolarHBondContact O-N 2.75Å |
| 397 | S | 90.4 | Very high | 90.7 | Very high | 77 Ų | 77 | 79.1 Ų | 79.1 | 54% | 0.538 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.7 | -41.1 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | H383 H399 L400 K401 | H383-S397 PolarHBondContact CD2-N 3.34Å; H383-S397 VanDerWaalsContact CD2-N 3.3Å; H383-S397 PolarHBondContact NE2-N 2.95Å; S397-H399 VanDerWaalsContact C-N 3.32Å; S397-H399 PolarHBondContact O-N 3.4Å; S397-L400 PolarHBondContact O-N 3.15Å; S397-L400 VanDerWaalsContact O-N 3.13Å; S397-K401 PolarHBondContact O-N 2.92Å |
| 398 | S | 89.4 | Confident | 90.6 | Very high | 68 Ų | 68 | 78.7 Ų | 78.7 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 176.2 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | K396 K401 A402 | K396-S398 VanDerWaalsContact C-N 3.29Å; K396-S398 PolarHBondContact O-N 3.11Å; S398-K401 PolarHBondContact O-N 2.9Å; S398-A402 WeakPolarHBondContact O-CB 3.24Å; S398-A402 PolarHBondContact O-N 3.19Å |
| 399 | H | 90.8 | Very high | 90.5 | Very high | 98 Ų | 98 | 76.1 Ų | 76.1 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.3 | -35.2 | 174.9 | -64.7 | 172.3 | 0 | 0 | 0 | 112.1 | Y394 K396 S397 H403 | Y394-H399 HydrophobicContact CD1-CB 3.6Å; Y394-H399 HydrophobicContact CE1-CB 4.41Å; Y394-H399 HydrophobicContact CG-CB 4.12Å; K396-H399 HydrophobicContact CB-CB 4.44Å; K396-H399 PolarHBondContact O-N 2.9Å; K396-H399 VanDerWaalsContact O-N 3.14Å; S397-H399 VanDerWaalsContact C-N 3.32Å; S397-H399 PolarHBondContact O-N 3.4Å; H399-H403 WeakPolarHBondContact O-CB 3.2Å; H399-H403 PolarHBondContact O-N 3.4Å |
| 400 | L | 92.6 | Very high | 90.6 | Very high | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.1 | -47.7 | 170.4 | 173.7 | 60.8 | 0 | 0 | 0 | 111 | H383 K384 C385 Y394 K396 S397 A402 H403 L404 | H383-L400 HydrophobicContact CB-CB 4.06Å; H383-L400 HydrophobicContact CB-CD2 3.74Å; K384-L400 WeakPolarHBondContact O-CD2 3.29Å; C385-L400 HydrophobicContact CB-CD1 4.17Å; Y394-L400 HydrophobicContact CD2-CB 4.16Å; Y394-L400 HydrophobicContact CD2-CD1 4.17Å; Y394-L400 HydrophobicContact CE2-CD1 4.49Å; Y394-L400 HydrophobicContact CG-CB 4.42Å; K396-L400 PolarHBondContact O-N 2.75Å; S397-L400 PolarHBondContact O-N 3.15Å; S397-L400 VanDerWaalsContact O-N 3.13Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.25Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CA 3.42Å; L400-H403 WeakPolarHBondContact O-CB 3.45Å; L400-H403 PolarHBondContact O-N 3.35Å; L400-L404 HydrophobicContact CD1-CD1 4.21Å; L400-L404 HydrophobicContact CD1-CD2 4.18Å; L400-L404 HydrophobicContact CD1-CG 3.89Å; L400-L404 HydrophobicContact CG-CD1 4.05Å; L400-L404 HydrophobicContact CG-CG 4.22Å; L400-L404 WeakPolarHBondContact O-CG 3.43Å; L400-L404 PolarHBondContact O-N 2.88Å |
| 401 | K | 89.6 | Confident | 90.5 | Very high | 144 Ų | 144 | 80 Ų | 80 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.6 | -44.1 | 178.7 | -164.7 | 171.1 | -174.3 | 174 | 0 | 111.1 | S397 S398 H403 L404 | S397-K401 PolarHBondContact O-N 2.92Å; S398-K401 PolarHBondContact O-N 2.9Å; K401-H403 VanDerWaalsContact C-N 3.31Å; K401-H403 PolarHBondContact O-N 3.43Å; K401-L404 PolarHBondContact O-N 3.05Å |
| 402 | A | 88.4 | Confident | 90.4 | Very high | 30 Ų | 30 | 75.9 Ų | 75.9 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.1 | -26.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | S398 L400 | S398-A402 WeakPolarHBondContact O-CB 3.24Å; S398-A402 PolarHBondContact O-N 3.19Å; L400-A402 VanDerWaalsContact C-N 3.31Å; L400-A402 PolarHBondContact O-N 3.25Å |
| 403 | H | 90.3 | Very high | 90.3 | Very high | 9 Ų | 9 | 74.3 Ų | 74.3 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.1 | -43.3 | 172.6 | 170.4 | 29.9 | 0 | 0 | 0 | 112.4 | C385 C390 Y394 H399 L400 K401 R405 R406 H407 | C385-H403 PolarHBondContact SG-NE2 3.34Å; C390-H403 PolarHBondContact SG-NE2 3.07Å; Y394-H403 HydrophobicContact CE1-CB 4.42Å; Y394-H403 HydrophobicContact CE2-CB 3.92Å; Y394-H403 AromaticContact CE2-CD2 3.35Å; Y394-H403 WeakPolarHBondContact CE2-CD2 3.42Å; Y394-H403 AromaticContact CE2-CG 3.83Å; Y394-H403 AromaticContact CZ-CD2 3.71Å; Y394-H403 AromaticContact CZ-CG 3.76Å; Y394-H403 PolarHBondContact OH-CD2 3.42Å; Y394-H403 VanDerWaalsContact OH-CG 3.28Å; H399-H403 WeakPolarHBondContact O-CB 3.2Å; H399-H403 PolarHBondContact O-N 3.4Å; L400-H403 CarbonylContact O-C 3.57Å; L400-H403 WeakPolarHBondContact O-CA 3.42Å; L400-H403 WeakPolarHBondContact O-CB 3.45Å; L400-H403 PolarHBondContact O-N 3.35Å; K401-H403 VanDerWaalsContact C-N 3.31Å; K401-H403 PolarHBondContact O-N 3.43Å; H403-R405 PolarHBondContact O-N 3.49Å; H403-R405 VanDerWaalsContact O-N 3.17Å; H403-R406 PolarHBondContact O-N 2.69Å; H403-H407 AromaticContact CD2-NE2 3.84Å; H403-H407 AromaticContact CE1-CD2 3.76Å; H403-H407 AromaticContact CE1-NE2 2.9Å; H403-H407 PolarHBondContact CE1-NE2 2.83Å; H403-H407 AromaticContact NE2-CD2 3.99Å; H403-H407 AromaticContact NE2-NE2 2.7Å; H403-H407 PolarHBondContact NE2-NE2 3.24Å |
| 404 | L | 91.1 | Very high | 90.3 | Very high | 55 Ų | 55 | 70.2 Ų | 70.2 | 29% | 0.288 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.2 | -31 | -177.7 | -71.4 | 171.6 | 0 | 0 | 0 | 112.2 | L400 K401 R406 H407 T408 | L400-L404 HydrophobicContact CD1-CD1 4.21Å; L400-L404 HydrophobicContact CD1-CD2 4.18Å; L400-L404 HydrophobicContact CD1-CG 3.89Å; L400-L404 HydrophobicContact CG-CD1 4.05Å; L400-L404 HydrophobicContact CG-CG 4.22Å; L400-L404 WeakPolarHBondContact O-CG 3.43Å; L400-L404 PolarHBondContact O-N 2.88Å; K401-L404 PolarHBondContact O-N 3.05Å; L404-R406 PolarHBondContact O-N 2.35Å; L404-R406 VanDerWaalsContact O-N 3.12Å; L404-H407 WeakPolarHBondContact O-CA 3.37Å; L404-H407 WeakPolarHBondContact O-CB 3.5Å; L404-H407 PolarHBondContact O-N 3.27Å; L404-T408 PolarHBondContact O-N 2.83Å; L404-T408 PolarHBondContact O-OG1 3.48Å |
| 405 | R | 91 | Very high | 90.4 | Very high | 46 Ų | 46 | 68.3 Ų | 68.3 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.1 | -22.9 | 172.3 | -63.7 | -166.3 | 172 | 149.7 | 2.1 | 115.6 | H403 H407 T408 G409 E410 F413 S425 | H403-R405 PolarHBondContact O-N 3.49Å; H403-R405 VanDerWaalsContact O-N 3.17Å; R405-H407 VanDerWaalsContact C-N 3.3Å; R405-T408 WeakPolarHBondContact CA-OG1 3.32Å; R405-G409 CarbonylContact O-C 3.27Å; R405-G409 WeakPolarHBondContact O-CA 3.38Å; R405-G409 PolarHBondContact O-N 3.49Å; R405-E410 HydrophobicContact CB-CB 4.06Å; R405-E410 HydrophobicContact CG-CB 3.8Å; R405-E410 IonicContact NE-OE2 2.79Å; R405-E410 PolarHBondContact NE-OE2 2.87Å; R405-E410 VanDerWaalsContact NE-OE2 3.11Å; R405-E410 PolarHBondContact O-N 2.7Å; R405-F413 VanDerWaalsContact NH1-CE2 3.34Å; R405-S425 WeakPolarHBondContact CD-O 3.46Å; R405-S425 PolarHBondContact NH1-O 3.33Å; R405-S425 VanDerWaalsContact NH1-O 3.1Å |
| 406 | R | 87.8 | Confident | 90.4 | Very high | 138 Ų | 138 | 72 Ų | 72 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -84.9 | -4 | 173.2 | -171.2 | 154.9 | 50 | 72.6 | 3.6 | 113.4 | H403 L404 | H403-R406 PolarHBondContact O-N 2.69Å; L404-R406 PolarHBondContact O-N 2.35Å; L404-R406 VanDerWaalsContact O-N 3.12Å |
| 407 | H | 89.3 | Confident | 90.3 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -102.4 | -40.6 | 167.1 | -61.5 | -57.9 | 0 | 0 | 0 | 111.6 | C385 F387 C390 H403 L404 R405 | C385-H407 PolarHBondContact SG-NE2 3.29Å; F387-H407 HydrophobicContact CB-CB 4.42Å; F387-H407 AromaticContact CD1-CE1 3.81Å; F387-H407 AromaticContact CD1-CG 3.97Å; F387-H407 AromaticContact CD1-ND1 3.56Å; F387-H407 HydrophobicContact CD2-CB 3.63Å; F387-H407 AromaticContact CD2-CG 3.86Å; F387-H407 AromaticContact CE1-ND1 3.95Å; F387-H407 HydrophobicContact CE2-CB 3.96Å; F387-H407 HydrophobicContact CG-CB 3.94Å; F387-H407 AromaticContact CG-CD2 3.81Å; F387-H407 AromaticContact CG-CG 3.6Å; F387-H407 AromaticContact CG-ND1 3.72Å; C390-H407 WeakPolarHBondContact CB-CE1 3.42Å; C390-H407 WeakPolarHBondContact CB-NE2 3.4Å; C390-H407 PolarHBondContact SG-CE1 2.97Å; C390-H407 PolarHBondContact SG-NE2 3.25Å; H403-H407 AromaticContact CD2-NE2 3.84Å; H403-H407 AromaticContact CE1-CD2 3.76Å; H403-H407 AromaticContact CE1-NE2 2.9Å; H403-H407 PolarHBondContact CE1-NE2 2.83Å; H403-H407 AromaticContact NE2-CD2 3.99Å; H403-H407 AromaticContact NE2-NE2 2.7Å; H403-H407 PolarHBondContact NE2-NE2 3.24Å; L404-H407 WeakPolarHBondContact O-CA 3.37Å; L404-H407 WeakPolarHBondContact O-CB 3.5Å; L404-H407 PolarHBondContact O-N 3.27Å; R405-H407 VanDerWaalsContact C-N 3.3Å |
| 408 | T | 88.1 | Confident | 90.4 | Very high | 87 Ų | 87 | 78 Ų | 78 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -80.2 | -15.4 | 177.3 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | L404 R405 E410 | L404-T408 PolarHBondContact O-N 2.83Å; L404-T408 PolarHBondContact O-OG1 3.48Å; R405-T408 WeakPolarHBondContact CA-OG1 3.32Å; T408-E410 WeakPolarHBondContact CB-OE1 3.41Å; T408-E410 PolarHBondContact O-N 3.38Å; T408-E410 WeakPolarHBondContact OG1-CG 2.92Å; T408-E410 PolarHBondContact OG1-OE1 2.99Å |
| 409 | G | 87.8 | Confident | 90.3 | Very high | 51 Ų | 51 | 79 Ų | 79 | 53% | 0.526 | 42% | 0.418 | S | S | . | . | trans | 77 | -0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R405 K411 | R405-G409 CarbonylContact O-C 3.27Å; R405-G409 WeakPolarHBondContact O-CA 3.38Å; R405-G409 PolarHBondContact O-N 3.49Å; G409-K411 PolarHBondContact O-N 2.51Å | ||
| 410 | E | 90.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 39% | 0.388 | 40% | 0.403 | S | S | . | . | trans | -49.7 | 122.3 | 179.2 | -80.7 | 165.6 | -113.8 | 0 | 0 | 112.8 | R405 T408 P412 | R405-E410 HydrophobicContact CB-CB 4.06Å; R405-E410 HydrophobicContact CG-CB 3.8Å; R405-E410 IonicContact NE-OE2 2.79Å; R405-E410 PolarHBondContact NE-OE2 2.87Å; R405-E410 VanDerWaalsContact NE-OE2 3.11Å; R405-E410 PolarHBondContact O-N 2.7Å; T408-E410 WeakPolarHBondContact CB-OE1 3.41Å; T408-E410 PolarHBondContact O-N 3.38Å; T408-E410 WeakPolarHBondContact OG1-CG 2.92Å; T408-E410 PolarHBondContact OG1-OE1 2.99Å; E410-P412 HydrophobicContact CB-CG 4.41Å; E410-P412 WeakPolarHBondContact O-CD 3.42Å | ||
| 411 | K | 90.3 | Very high | 90.1 | Very high | 89 Ų | 89 | 77.2 Ų | 77.2 | 39% | 0.387 | 43% | 0.428 | S | S | . | . | trans | -121.2 | 71.5 | 172.2 | -69.2 | 169.7 | 177.6 | -178.2 | 0 | 110.4 | D128 G409 F413 R423 F424 | D128-K411 IonicContact OD2-NZ 3.23Å; D128-K411 PolarHBondContact OD2-NZ 2.73Å; G409-K411 PolarHBondContact O-N 2.51Å; K411-F413 PolarHBondContact O-N 2.9Å; K411-R423 HydrophobicContact CB-CB 3.65Å; K411-R423 WeakPolarHBondContact O-CB 3.35Å; K411-R423 PolarHBondContact O-NE 3.36Å; K411-F424 CarbonylContact C-O 3.26Å; K411-F424 VanDerWaalsContact C-O 3.27Å; K411-F424 VanDerWaalsContact CA-O 3.3Å; K411-F424 WeakPolarHBondContact CA-O 3.41Å | ||
| 412 | P | 88.7 | Confident | 90.2 | Very high | 55 Ų | 55 | 76.5 Ų | 76.5 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | trans | -67.6 | -35.4 | -173.2 | -22.5 | 37 | 0 | 0 | 0 | 113 | E410 A414 R423 | E410-P412 HydrophobicContact CB-CG 4.41Å; E410-P412 WeakPolarHBondContact O-CD 3.42Å; P412-A414 PolarHBondContact O-N 3.13Å; P412-A414 VanDerWaalsContact O-N 3.1Å; P412-R423 PolarHBondContact O-NH2 3.38Å | ||
| 413 | F | 91.6 | Very high | 90.5 | Very high | 67 Ų | 67 | 81.6 Ų | 81.6 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 91.5 | -171.7 | -59 | -73 | 0 | 0 | 0 | 111.3 | R405 K411 R423 F424 S425 S427 L430 | R405-F413 VanDerWaalsContact NH1-CE2 3.34Å; K411-F413 PolarHBondContact O-N 2.9Å; F413-R423 CarbonylContact O-C 3.57Å; F413-R423 WeakPolarHBondContact O-CA 3.47Å; F413-F424 HydrophobicContact CB-CB 4.33Å; F413-F424 PolarHBondContact N-O 2.73Å; F413-F424 VanDerWaalsContact N-O 3.16Å; F413-F424 PolarHBondContact O-N 2.92Å; F413-S425 WeakPolarHBondContact CE2-O 3.36Å; F413-S427 VanDerWaalsContact CE2-N 3.34Å; F413-L430 HydrophobicContact CB-CB 4.11Å; F413-L430 HydrophobicContact CB-CD2 3.87Å |
| 414 | A | 92.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 82.3 Ų | 82.3 | 24% | 0.24 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 154.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P412 N416 W422 R423 L430 | P412-A414 PolarHBondContact O-N 3.13Å; P412-A414 VanDerWaalsContact O-N 3.1Å; A414-N416 PolarHBondContact O-OD1 3.29Å; A414-W422 CarbonylContact C-O 3.6Å; A414-R423 HydrophobicContact CB-CG 4.13Å; A414-L430 WeakPolarHBondContact O-CD1 3.43Å; A414-L430 VanDerWaalsContact O-CD2 3.23Å; A414-L430 WeakPolarHBondContact O-CD2 3.12Å |
| 415 | C | 95.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 80.9 Ų | 80.9 | 8% | 0.081 | 43% | 0.432 | C | S | . | . | trans | -91.1 | 112.5 | 166.9 | -169 | 0 | 0 | 0 | 0 | 110.7 | W417 W422 L430 H433 H437 | C415-W417 PolarHBondContact O-N 3.34Å; C415-W422 WeakPolarHBondContact CB-O 3.29Å; C415-W422 PolarHBondContact N-O 3.32Å; C415-L430 HydrophobicContact CB-CD1 3.86Å; C415-H433 VanDerWaalsContact SG-CD2 3.55Å; C415-H433 PolarHBondContact SG-NE2 2.99Å; C415-H433 VanDerWaalsContact SG-NE2 3.38Å; C415-H437 PolarHBondContact SG-NE2 2.97Å | ||
| 416 | N | 92.2 | Very high | 90.3 | Very high | 159 Ų | 159 | 83.8 Ų | 83.8 | 85% | 0.85 | 44% | 0.443 | S | S | * | . | trans | -71.5 | 8.4 | 179.1 | -55 | 16.8 | 0 | 0 | 0 | 113.7 | A414 | A414-N416 PolarHBondContact O-OD1 3.29Š| ||
| 417 | W | 89.9 | Confident | 90.4 | Very high | 141 Ų | 141 | 80.4 Ų | 80.4 | 53% | 0.534 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -77.4 | 123.4 | 175.3 | -166.3 | -79.2 | 0 | 0 | 0 | 109.7 | C415 G419 C420 H437 | C415-W417 PolarHBondContact O-N 3.34Å; W417-G419 PolarHBondContact O-N 2.93Å; W417-C420 HydrophobicContact CB-CB 4.06Å; W417-C420 WeakPolarHBondContact O-CB 3.47Å; W417-C420 PolarHBondContact O-N 3.12Å; W417-H437 HydrophobicContact CD2-CB 3.73Å; W417-H437 AromaticContact CD2-CD2 3.95Å; W417-H437 AromaticContact CD2-CG 3.76Å; W417-H437 HydrophobicContact CE3-CB 3.66Å; W417-H437 HydrophobicContact CG-CB 4.34Å; W417-H437 AromaticContact CG-CD2 3.71Å; W417-H437 AromaticContact CG-CG 3.82Å; W417-H437 HydrophobicContact CH2-CB 4.17Å; W417-H437 HydrophobicContact CZ2-CB 4.24Å; W417-H437 HydrophobicContact CZ3-CB 3.89Å |
| 418 | Q | 90.7 | Very high | 90.4 | Very high | 189 Ų | 189 | 80.9 Ų | 80.9 | 88% | 0.883 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 134.6 | -174.3 | -165.4 | 170.6 | 5.3 | 0 | 0 | 111.3 | C420 | Q418-C420 PolarHBondContact O-N 3.17Š|
| 419 | G | 87.8 | Confident | 90.5 | Very high | 89 Ų | 89 | 79 Ų | 79 | 92% | 0.918 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -1.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | W417 | W417-G419 PolarHBondContact O-N 2.93Š|
| 420 | C | 91.3 | Very high | 90.8 | Very high | 22 Ų | 22 | 77.8 Ų | 77.8 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -61.8 | 176 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | W417 Q418 W422 H433 H437 | W417-C420 HydrophobicContact CB-CB 4.06Å; W417-C420 WeakPolarHBondContact O-CB 3.47Å; W417-C420 PolarHBondContact O-N 3.12Å; Q418-C420 PolarHBondContact O-N 3.17Å; C420-W422 PolarHBondContact O-N 3.09Å; C420-W422 VanDerWaalsContact SG-CD1 3.55Å; C420-H433 VanDerWaalsContact SG-CE1 3.55Å; C420-H433 PolarHBondContact SG-NE2 2.71Å; C420-H437 WeakPolarHBondContact CB-NE2 3.42Å; C420-H437 PolarHBondContact SG-CE1 3.33Å; C420-H437 PolarHBondContact SG-NE2 3.25Å |
| 421 | G | 88.3 | Confident | 90.9 | Very high | 63 Ų | 63 | 76.1 Ų | 76.1 | 65% | 0.649 | 41% | 0.409 | S | S | * | . | trans | 68.2 | -1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 422 | W | 91.8 | Very high | 90.9 | Very high | 129 Ų | 129 | 76.7 Ų | 76.7 | 49% | 0.489 | 41% | 0.409 | S | S | . | . | trans | -63.5 | 138.3 | 179.2 | -81.1 | 59.1 | 0 | 0 | 0 | 111.7 | A414 C415 C420 F424 | A414-W422 CarbonylContact C-O 3.6Å; C415-W422 WeakPolarHBondContact CB-O 3.29Å; C415-W422 PolarHBondContact N-O 3.32Å; C420-W422 PolarHBondContact O-N 3.09Å; C420-W422 VanDerWaalsContact SG-CD1 3.55Å; W422-F424 HydrophobicContact CB-CE2 3.8Å; W422-F424 HydrophobicContact CB-CZ 3.81Å; W422-F424 HydrophobicContact CD2-CZ 4.43Å; W422-F424 HydrophobicContact CE3-CE1 4.05Å; W422-F424 AromaticContact CE3-CZ 3.82Å; W422-F424 HydrophobicContact CE3-CZ 3.82Å; W422-F424 HydrophobicContact CG-CZ 4.48Å | ||
| 423 | R | 93.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 75.4 Ų | 75.4 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.3 | 177.2 | -51.9 | -170.5 | 72.4 | 123.1 | 5.5 | 111.8 | K411 P412 F413 A414 | K411-R423 HydrophobicContact CB-CB 3.65Å; K411-R423 WeakPolarHBondContact O-CB 3.35Å; K411-R423 PolarHBondContact O-NE 3.36Å; P412-R423 PolarHBondContact O-NH2 3.38Å; F413-R423 CarbonylContact O-C 3.57Å; F413-R423 WeakPolarHBondContact O-CA 3.47Å; A414-R423 HydrophobicContact CB-CG 4.13Å |
| 424 | F | 92 | Very high | 91.1 | Very high | 24 Ų | 24 | 79.5 Ų | 79.5 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 153.2 | -171.4 | -58.9 | -83.5 | 0 | 0 | 0 | 113 | K411 F413 W422 E429 L430 H433 | K411-F424 CarbonylContact C-O 3.26Å; K411-F424 VanDerWaalsContact C-O 3.27Å; K411-F424 VanDerWaalsContact CA-O 3.3Å; K411-F424 WeakPolarHBondContact CA-O 3.41Å; F413-F424 HydrophobicContact CB-CB 4.33Å; F413-F424 PolarHBondContact N-O 2.73Å; F413-F424 VanDerWaalsContact N-O 3.16Å; F413-F424 PolarHBondContact O-N 2.92Å; W422-F424 HydrophobicContact CB-CE2 3.8Å; W422-F424 HydrophobicContact CB-CZ 3.81Å; W422-F424 HydrophobicContact CD2-CZ 4.43Å; W422-F424 HydrophobicContact CE3-CE1 4.05Å; W422-F424 AromaticContact CE3-CZ 3.82Å; W422-F424 HydrophobicContact CE3-CZ 3.82Å; W422-F424 HydrophobicContact CG-CZ 4.48Å; F424-E429 HydrophobicContact CB-CB 3.93Å; F424-E429 HydrophobicContact CD1-CB 3.87Å; F424-E429 HydrophobicContact CG-CB 4.13Å; F424-L430 HydrophobicContact CB-CB 4.3Å; F424-L430 HydrophobicContact CD2-CB 3.84Å; F424-L430 HydrophobicContact CD2-CD1 3.91Å; F424-L430 HydrophobicContact CD2-CG 4.48Å; F424-L430 HydrophobicContact CE2-CD1 4.1Å; F424-L430 HydrophobicContact CG-CB 4.26Å; F424-H433 HydrophobicContact CE1-CB 4.05Å; F424-H433 HydrophobicContact CE2-CB 3.82Å; F424-H433 AromaticContact CE2-CD2 3.4Å; F424-H433 WeakPolarHBondContact CE2-CD2 3.39Å; F424-H433 AromaticContact CE2-CG 3.58Å; F424-H433 HydrophobicContact CZ-CB 3.45Å; F424-H433 VanDerWaalsContact CZ-CB 3.45Å; F424-H433 AromaticContact CZ-CD2 3.58Å; F424-H433 AromaticContact CZ-CG 3.27Å; F424-H433 AromaticContact CZ-ND1 3.69Å |
| 425 | S | 89.6 | Confident | 91.1 | Very high | 25 Ų | 25 | 81.9 Ų | 81.9 | 18% | 0.175 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -77.1 | -28.8 | 180 | 75.6 | 0 | 0 | 0 | 0 | 112.6 | R405 F413 E429 | R405-S425 WeakPolarHBondContact CD-O 3.46Å; R405-S425 PolarHBondContact NH1-O 3.33Å; R405-S425 VanDerWaalsContact NH1-O 3.1Å; F413-S425 WeakPolarHBondContact CE2-O 3.36Å; S425-E429 PolarHBondContact N-OE2 2.89Å; S425-E429 PolarHBondContact OG-OE2 3.07Å |
| 426 | R | 87.8 | Confident | 90.8 | Very high | 107 Ų | 107 | 85.2 Ų | 85.2 | 40% | 0.404 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -129.6 | 153.1 | -176.6 | -60.5 | 156.2 | 51.7 | 120.4 | -3.9 | 112.5 | D428 E429 L430 | R426-D428 WeakPolarHBondContact CB-OD1 3.39Å; R426-D428 IonicContact CZ-OD1 2.79Å; R426-D428 IonicContact CZ-OD2 2.88Å; R426-D428 IonicContact NE-OD1 3.11Å; R426-D428 PolarHBondContact NE-OD1 2.79Å; R426-D428 IonicContact NE-OD2 3.38Å; R426-D428 VanDerWaalsContact NH2-CG 3.26Å; R426-D428 IonicContact NH2-OD1 3.42Å; R426-D428 PolarHBondContact NH2-OD1 2.85Å; R426-D428 VanDerWaalsContact NH2-OD1 3.15Å; R426-D428 IonicContact NH2-OD2 3.15Å; R426-D428 PolarHBondContact NH2-OD2 2.81Å; R426-E429 HydrophobicContact CB-CB 4.44Å; R426-E429 HydrophobicContact CB-CG 3.98Å; R426-E429 PolarHBondContact N-OE2 3.14Å; R426-E429 VanDerWaalsContact N-OE2 3.09Å; R426-E429 WeakPolarHBondContact O-CB 3.36Å; R426-E429 PolarHBondContact O-N 3.36Å; R426-L430 PolarHBondContact O-N 3.13Å |
| 427 | S | 90.2 | Very high | 90.7 | Very high | 67 Ų | 67 | 80.8 Ų | 80.8 | 47% | 0.469 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.9 | -29.3 | 179.6 | 50.4 | 0 | 0 | 0 | 0 | 113.6 | F413 S431 | F413-S427 VanDerWaalsContact CE2-N 3.34Å; S427-S431 VanDerWaalsContact O-CB 3.29Å; S427-S431 WeakPolarHBondContact O-CB 3.41Å; S427-S431 PolarHBondContact O-N 3.01Å; S427-S431 PolarHBondContact O-OG 2.94Å |
| 428 | D | 88.6 | Confident | 90.6 | Very high | 73 Ų | 73 | 77.3 Ų | 77.3 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73 | -30.2 | 175 | 70.3 | -46.1 | 0 | 0 | 0 | 112.3 | R426 R432 | R426-D428 WeakPolarHBondContact CB-OD1 3.39Å; R426-D428 IonicContact CZ-OD1 2.79Å; R426-D428 IonicContact CZ-OD2 2.88Å; R426-D428 IonicContact NE-OD1 3.11Å; R426-D428 PolarHBondContact NE-OD1 2.79Å; R426-D428 IonicContact NE-OD2 3.38Å; R426-D428 VanDerWaalsContact NH2-CG 3.26Å; R426-D428 IonicContact NH2-OD1 3.42Å; R426-D428 PolarHBondContact NH2-OD1 2.85Å; R426-D428 VanDerWaalsContact NH2-OD1 3.15Å; R426-D428 IonicContact NH2-OD2 3.15Å; R426-D428 PolarHBondContact NH2-OD2 2.81Å; D428-R432 WeakPolarHBondContact O-CB 3.47Å; D428-R432 PolarHBondContact O-N 3.42Å |
| 429 | E | 91.1 | Very high | 90.4 | Very high | 47 Ų | 47 | 70.5 Ų | 70.5 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 171.9 | -64.9 | 174.9 | 151.4 | 0 | 0 | 111 | F424 S425 R426 R432 H433 | F424-E429 HydrophobicContact CB-CB 3.93Å; F424-E429 HydrophobicContact CD1-CB 3.87Å; F424-E429 HydrophobicContact CG-CB 4.13Å; S425-E429 PolarHBondContact N-OE2 2.89Å; S425-E429 PolarHBondContact OG-OE2 3.07Å; R426-E429 HydrophobicContact CB-CB 4.44Å; R426-E429 HydrophobicContact CB-CG 3.98Å; R426-E429 PolarHBondContact N-OE2 3.14Å; R426-E429 VanDerWaalsContact N-OE2 3.09Å; R426-E429 WeakPolarHBondContact O-CB 3.36Å; R426-E429 PolarHBondContact O-N 3.36Å; E429-R432 PolarHBondContact O-N 2.89Å; E429-H433 WeakPolarHBondContact O-CB 3.41Å; E429-H433 PolarHBondContact O-N 3.33Å |
| 430 | L | 94.1 | Very high | 90.6 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 172.7 | 171.9 | 61.1 | 0 | 0 | 0 | 111.6 | F413 A414 C415 F424 R426 R432 H433 R434 | F413-L430 HydrophobicContact CB-CB 4.11Å; F413-L430 HydrophobicContact CB-CD2 3.87Å; A414-L430 WeakPolarHBondContact O-CD1 3.43Å; A414-L430 VanDerWaalsContact O-CD2 3.23Å; A414-L430 WeakPolarHBondContact O-CD2 3.12Å; C415-L430 HydrophobicContact CB-CD1 3.86Å; F424-L430 HydrophobicContact CB-CB 4.3Å; F424-L430 HydrophobicContact CD2-CB 3.84Å; F424-L430 HydrophobicContact CD2-CD1 3.91Å; F424-L430 HydrophobicContact CD2-CG 4.48Å; F424-L430 HydrophobicContact CE2-CD1 4.1Å; F424-L430 HydrophobicContact CG-CB 4.26Å; R426-L430 PolarHBondContact O-N 3.13Å; L430-R432 VanDerWaalsContact C-N 3.27Å; L430-R432 PolarHBondContact O-N 3.32Å; L430-H433 CarbonylContact O-C 3.58Å; L430-H433 PolarHBondContact O-N 3.19Å; L430-H433 VanDerWaalsContact O-N 3.11Å; L430-R434 PolarHBondContact O-N 3.44Å |
| 431 | S | 91.5 | Very high | 90.6 | Very high | 49 Ų | 49 | 74.6 Ų | 74.6 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -32.4 | -179.5 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | S427 | S427-S431 VanDerWaalsContact O-CB 3.29Å; S427-S431 WeakPolarHBondContact O-CB 3.41Å; S427-S431 PolarHBondContact O-N 3.01Å; S427-S431 PolarHBondContact O-OG 2.94Å |
| 432 | R | 90.8 | Very high | 90.7 | Very high | 101 Ų | 101 | 75.1 Ų | 75.1 | 38% | 0.381 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.2 | -41.9 | 171.7 | 178.7 | -174.9 | 68.3 | -159.2 | -2.6 | 111.4 | D428 E429 L430 R435 R454 | D428-R432 WeakPolarHBondContact O-CB 3.47Å; D428-R432 PolarHBondContact O-N 3.42Å; E429-R432 PolarHBondContact O-N 2.89Å; L430-R432 VanDerWaalsContact C-N 3.27Å; L430-R432 PolarHBondContact O-N 3.32Å; R432-R435 WeakPolarHBondContact O-CB 3.18Å; R432-R435 PolarHBondContact O-N 3.12Å; R432-R454 HydrophobicContact CG-CG 4.18Å |
| 433 | H | 92.8 | Very high | 90.9 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 13% | 0.125 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.7 | 165.8 | 75.6 | 0 | 0 | 0 | 112.2 | C415 C420 F424 E429 L430 R435 S436 H437 | C415-H433 VanDerWaalsContact SG-CD2 3.55Å; C415-H433 PolarHBondContact SG-NE2 2.99Å; C415-H433 VanDerWaalsContact SG-NE2 3.38Å; C420-H433 VanDerWaalsContact SG-CE1 3.55Å; C420-H433 PolarHBondContact SG-NE2 2.71Å; F424-H433 HydrophobicContact CE1-CB 4.05Å; F424-H433 HydrophobicContact CE2-CB 3.82Å; F424-H433 AromaticContact CE2-CD2 3.4Å; F424-H433 WeakPolarHBondContact CE2-CD2 3.39Å; F424-H433 AromaticContact CE2-CG 3.58Å; F424-H433 HydrophobicContact CZ-CB 3.45Å; F424-H433 VanDerWaalsContact CZ-CB 3.45Å; F424-H433 AromaticContact CZ-CD2 3.58Å; F424-H433 AromaticContact CZ-CG 3.27Å; F424-H433 AromaticContact CZ-ND1 3.69Å; E429-H433 WeakPolarHBondContact O-CB 3.41Å; E429-H433 PolarHBondContact O-N 3.33Å; L430-H433 CarbonylContact O-C 3.58Å; L430-H433 PolarHBondContact O-N 3.19Å; L430-H433 VanDerWaalsContact O-N 3.11Å; H433-R435 PolarHBondContact O-N 3.06Å; H433-S436 PolarHBondContact O-N 3.32Å; H433-S436 PolarHBondContact O-OG 2.67Å; H433-H437 AromaticContact CD2-NE2 3.27Å; H433-H437 PolarHBondContact CD2-NE2 3.42Å; H433-H437 VanDerWaalsContact CD2-NE2 3.27Å; H433-H437 AromaticContact CE1-CE1 3.7Å; H433-H437 AromaticContact CE1-NE2 3.05Å; H433-H437 PolarHBondContact CE1-NE2 3.16Å; H433-H437 AromaticContact NE2-CE1 3.9Å; H433-H437 AromaticContact NE2-NE2 2.35Å; H433-H437 PolarHBondContact NE2-NE2 2.83Å |
| 434 | R | 92.1 | Very high | 91 | Very high | 153 Ų | 153 | 70.2 Ų | 70.2 | 58% | 0.577 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.6 | -23.4 | 177.1 | -167.3 | 166 | 71.4 | -150.9 | 6.8 | 113.5 | L430 S436 H437 S438 | L430-R434 PolarHBondContact O-N 3.44Å; R434-S436 VanDerWaalsContact C-N 3.34Å; R434-H437 PolarHBondContact O-N 3.39Å; R434-S438 PolarHBondContact O-N 3.43Å; R434-S438 PolarHBondContact O-OG 2.79Å |
| 435 | R | 91.2 | Very high | 91.1 | Very high | 80 Ų | 80 | 69 Ų | 69 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.6 | -15 | 174.2 | -56.5 | 175.7 | -167.7 | 170.1 | 0.4 | 114.3 | R432 H433 G439 V440 A453 | R432-R435 WeakPolarHBondContact O-CB 3.18Å; R432-R435 PolarHBondContact O-N 3.12Å; H433-R435 PolarHBondContact O-N 3.06Å; R435-G439 WeakPolarHBondContact O-CA 3.41Å; R435-G439 PolarHBondContact O-N 3.02Å; R435-V440 PolarHBondContact O-N 2.95Å; R435-A453 PolarHBondContact NH1-O 2.94Å |
| 436 | S | 89 | Confident | 91.3 | Very high | 82 Ų | 82 | 73.1 Ų | 73.1 | 57% | 0.573 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -74.4 | -33.2 | 170.3 | 64.7 | 0 | 0 | 0 | 0 | 111.6 | H433 R434 | H433-S436 PolarHBondContact O-N 3.32Å; H433-S436 PolarHBondContact O-OG 2.67Å; R434-S436 VanDerWaalsContact C-N 3.34Å |
| 437 | H | 89.6 | Confident | 91.5 | Very high | 65 Ų | 65 | 72.6 Ų | 72.6 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.4 | -44.2 | 175.7 | -57.9 | -42.7 | 0 | 0 | 0 | 112 | C415 W417 C420 H433 R434 | C415-H437 PolarHBondContact SG-NE2 2.97Å; W417-H437 HydrophobicContact CD2-CB 3.73Å; W417-H437 AromaticContact CD2-CD2 3.95Å; W417-H437 AromaticContact CD2-CG 3.76Å; W417-H437 HydrophobicContact CE3-CB 3.66Å; W417-H437 HydrophobicContact CG-CB 4.34Å; W417-H437 AromaticContact CG-CD2 3.71Å; W417-H437 AromaticContact CG-CG 3.82Å; W417-H437 HydrophobicContact CH2-CB 4.17Å; W417-H437 HydrophobicContact CZ2-CB 4.24Å; W417-H437 HydrophobicContact CZ3-CB 3.89Å; C420-H437 WeakPolarHBondContact CB-NE2 3.42Å; C420-H437 PolarHBondContact SG-CE1 3.33Å; C420-H437 PolarHBondContact SG-NE2 3.25Å; H433-H437 AromaticContact CD2-NE2 3.27Å; H433-H437 PolarHBondContact CD2-NE2 3.42Å; H433-H437 VanDerWaalsContact CD2-NE2 3.27Å; H433-H437 AromaticContact CE1-CE1 3.7Å; H433-H437 AromaticContact CE1-NE2 3.05Å; H433-H437 PolarHBondContact CE1-NE2 3.16Å; H433-H437 AromaticContact NE2-CE1 3.9Å; H433-H437 AromaticContact NE2-NE2 2.35Å; H433-H437 PolarHBondContact NE2-NE2 2.83Å; R434-H437 PolarHBondContact O-N 3.39Å |
| 438 | S | 88 | Confident | 91.7 | Very high | 68 Ų | 68 | 71.8 Ų | 71.8 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -85.4 | -4.8 | 179.4 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | R434 V440 | R434-S438 PolarHBondContact O-N 3.43Å; R434-S438 PolarHBondContact O-OG 2.79Å; S438-V440 PolarHBondContact O-N 3.1Å; S438-V440 WeakPolarHBondContact OG-CG2 3.45Å |
| 439 | G | 87.7 | Confident | 91.9 | Very high | 47 Ų | 47 | 75 Ų | 75 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | trans | 62.8 | 6.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | R435 K441 | R435-G439 WeakPolarHBondContact O-CA 3.41Å; R435-G439 PolarHBondContact O-N 3.02Å; G439-K441 PolarHBondContact O-N 3.48Å | ||
| 440 | V | 91.6 | Very high | 92 | Very high | 76 Ų | 76 | 79 Ų | 79 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | trans | -68.2 | 119.5 | -169.7 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | R435 S438 P442 | R435-V440 PolarHBondContact O-N 2.95Å; S438-V440 PolarHBondContact O-N 3.1Å; S438-V440 WeakPolarHBondContact OG-CG2 3.45Å; V440-P442 VanDerWaalsContact O-CD 3.29Å; V440-P442 WeakPolarHBondContact O-CD 3.48Å | ||
| 441 | K | 91.8 | Very high | 92 | Very high | 121 Ų | 121 | 83.6 Ų | 83.6 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | trans | -113.3 | 79.6 | -179.4 | -66.5 | 174.4 | -171.6 | -176.7 | 0 | 110.7 | G439 Y443 K451 F452 A453 | G439-K441 PolarHBondContact O-N 3.48Å; K441-Y443 VanDerWaalsContact C-N 3.35Å; K441-Y443 PolarHBondContact O-N 2.87Å; K441-K451 HydrophobicContact CB-CB 3.76Å; K441-F452 CarbonylContact C-O 3.16Å; K441-F452 VanDerWaalsContact C-O 3.26Å; K441-F452 WeakPolarHBondContact CA-O 3.23Å; K441-A453 HydrophobicContact CG-CB 4.39Å | ||
| 442 | P | 90.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 83.2 Ų | 83.2 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | trans | -82 | -8.4 | -169 | 34.1 | -35.2 | 0 | 0 | 0 | 114.2 | V440 F452 | V440-P442 VanDerWaalsContact O-CD 3.29Å; V440-P442 WeakPolarHBondContact O-CD 3.48Å; P442-F452 WeakPolarHBondContact CD-O 3.43Å | ||
| 443 | Y | 94.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 80 Ų | 80 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 98 | -177 | -55.3 | -75.8 | 0 | 0 | 0 | 110.4 | K441 K451 F452 S455 | K441-Y443 VanDerWaalsContact C-N 3.35Å; K441-Y443 PolarHBondContact O-N 2.87Å; Y443-K451 CarbonylContact O-C 3.59Å; Y443-F452 WeakPolarHBondContact CD2-O 3.35Å; Y443-F452 PolarHBondContact N-O 3.24Å; Y443-F452 VanDerWaalsContact N-O 3.08Å; Y443-F452 PolarHBondContact O-N 3.13Å; Y443-S455 VanDerWaalsContact CD2-N 3.32Å |
| 444 | Q | 95.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 82.4 Ų | 82.4 | 40% | 0.402 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 142.8 | -179.8 | -176.8 | 159.5 | -20.3 | 0 | 0 | 112.4 | E449 K451 L458 | Q444-E449 WeakPolarHBondContact CG-O 3.3Å; Q444-K451 HydrophobicContact CB-CG 4.21Å; Q444-K451 HydrophobicContact CG-CG 4.22Å; Q444-L458 WeakPolarHBondContact O-CD2 3.44Å |
| 445 | C | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.423 | C | S | . | . | trans | -77.2 | 126 | 171.5 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | V447 E449 K450 F452 L458 H461 | C445-V447 PolarHBondContact O-N 3.39Å; C445-V447 PolarHBondContact SG-N 3.11Å; C445-E449 WeakPolarHBondContact O-CA 3.33Å; C445-E449 PolarHBondContact O-N 2.85Å; C445-K450 WeakPolarHBondContact CB-O 3.41Å; C445-K450 PolarHBondContact N-O 3.44Å; C445-F452 HydrophobicContact CB-CE2 4.42Å; C445-L458 HydrophobicContact CB-CD1 3.93Å; C445-H461 VanDerWaalsContact SG-CD2 3.57Å; C445-H461 PolarHBondContact SG-NE2 2.75Å | ||
| 446 | P | 93.6 | Very high | 92.2 | Very high | 111 Ų | 111 | 76.6 Ų | 76.6 | 72% | 0.721 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -0.2 | 178.3 | 32.2 | -36.7 | 0 | 0 | 0 | 114.3 | ||
| 447 | V | 92.9 | Very high | 92.5 | Very high | 95 Ų | 95 | 76 Ų | 76 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -33.6 | -177.4 | -175 | 0 | 0 | 0 | 0 | 112.6 | C445 H465 | C445-V447 PolarHBondContact O-N 3.39Å; C445-V447 PolarHBondContact SG-N 3.11Å; V447-H465 HydrophobicContact CB-CB 4.48Å; V447-H465 HydrophobicContact CG1-CB 4.14Å; V447-H465 HydrophobicContact CG2-CB 4.39Å |
| 448 | C | 93.7 | Very high | 92.7 | Very high | 51 Ų | 51 | 74 Ų | 74 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.8 | 20.8 | -177.7 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | K450 H461 H465 | C448-K450 PolarHBondContact O-N 3.1Å; C448-H461 PolarHBondContact SG-NE2 3.17Å; C448-H465 PolarHBondContact SG-CE1 2.93Å; C448-H465 PolarHBondContact SG-NE2 2.93Å |
| 449 | E | 92.3 | Very high | 93.1 | Very high | 140 Ų | 140 | 74 Ų | 74 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | trans | 57.3 | -1.6 | 172.5 | -58.5 | -168.3 | -171.2 | 0 | 0 | 118.2 | Q444 C445 K451 | Q444-E449 WeakPolarHBondContact CG-O 3.3Å; C445-E449 WeakPolarHBondContact O-CA 3.33Å; C445-E449 PolarHBondContact O-N 2.85Å; E449-K451 WeakPolarHBondContact O-CG 3.41Å; E449-K451 PolarHBondContact O-N 3.35Å | ||
| 450 | K | 93.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 77.8 Ų | 77.8 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | trans | -55.5 | 126.8 | 175.5 | -68.5 | -165.8 | 176.9 | -158.4 | 0 | 110.6 | C445 C448 F452 | C445-K450 WeakPolarHBondContact CB-O 3.41Å; C445-K450 PolarHBondContact N-O 3.44Å; C448-K450 PolarHBondContact O-N 3.1Å; K450-F452 HydrophobicContact CB-CE2 4.01Å; K450-F452 HydrophobicContact CB-CZ 4.11Å; K450-F452 WeakPolarHBondContact O-CD2 3.44Å; K450-F452 WeakPolarHBondContact O-CE2 3.34Å | ||
| 451 | K | 95.1 | Very high | 93.4 | Very high | 122 Ų | 122 | 75.9 Ų | 75.9 | 53% | 0.53 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.3 | -175.8 | -63 | -179.4 | 176.4 | 174.4 | 0 | 111.1 | K441 Y443 Q444 E449 | K441-K451 HydrophobicContact CB-CB 3.76Å; Y443-K451 CarbonylContact O-C 3.59Å; Q444-K451 HydrophobicContact CB-CG 4.21Å; Q444-K451 HydrophobicContact CG-CG 4.22Å; E449-K451 WeakPolarHBondContact O-CG 3.41Å; E449-K451 PolarHBondContact O-N 3.35Å |
| 452 | F | 92.9 | Very high | 93.5 | Very high | 41 Ų | 41 | 73.2 Ų | 73.2 | 18% | 0.18 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.6 | -177.4 | -59.7 | -88.9 | 0 | 0 | 0 | 111.4 | K441 P442 Y443 C445 K450 R454 H457 L458 H461 | K441-F452 CarbonylContact C-O 3.16Å; K441-F452 VanDerWaalsContact C-O 3.26Å; K441-F452 WeakPolarHBondContact CA-O 3.23Å; P442-F452 WeakPolarHBondContact CD-O 3.43Å; Y443-F452 WeakPolarHBondContact CD2-O 3.35Å; Y443-F452 PolarHBondContact N-O 3.24Å; Y443-F452 VanDerWaalsContact N-O 3.08Å; Y443-F452 PolarHBondContact O-N 3.13Å; C445-F452 HydrophobicContact CB-CE2 4.42Å; K450-F452 HydrophobicContact CB-CE2 4.01Å; K450-F452 HydrophobicContact CB-CZ 4.11Å; K450-F452 WeakPolarHBondContact O-CD2 3.44Å; K450-F452 WeakPolarHBondContact O-CE2 3.34Å; F452-R454 PolarHBondContact O-N 3.38Å; F452-H457 HydrophobicContact CB-CB 4.37Å; F452-H457 HydrophobicContact CD1-CB 3.94Å; F452-H457 HydrophobicContact CG-CB 4.41Å; F452-L458 HydrophobicContact CB-CB 4.38Å; F452-L458 HydrophobicContact CD2-CB 3.92Å; F452-L458 HydrophobicContact CD2-CD1 3.89Å; F452-L458 HydrophobicContact CE2-CD1 4.02Å; F452-L458 HydrophobicContact CG-CB 4.29Å; F452-H461 HydrophobicContact CE1-CB 4.12Å; F452-H461 HydrophobicContact CE2-CB 4.02Å; F452-H461 AromaticContact CE2-CD2 3.45Å; F452-H461 VanDerWaalsContact CE2-CD2 3.45Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.42Å; F452-H461 AromaticContact CE2-CG 3.78Å; F452-H461 HydrophobicContact CZ-CB 3.55Å; F452-H461 AromaticContact CZ-CD2 3.47Å; F452-H461 VanDerWaalsContact CZ-CD2 3.47Å; F452-H461 WeakPolarHBondContact CZ-CD2 3.4Å; F452-H461 AromaticContact CZ-CG 3.33Å; F452-H461 AromaticContact CZ-ND1 3.87Å |
| 453 | A | 91.7 | Very high | 93.6 | Very high | 34 Ų | 34 | 76.3 Ų | 76.3 | 28% | 0.281 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -73.4 | -14.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R435 K441 | R435-A453 PolarHBondContact NH1-O 2.94Å; K441-A453 HydrophobicContact CG-CB 4.39Å |
| 454 | R | 91.3 | Very high | 93.4 | Very high | 77 Ų | 77 | 76.7 Ų | 76.7 | 29% | 0.291 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -139.1 | 137.8 | -172.2 | -67.6 | 167.6 | 55.8 | 163.8 | -2.5 | 112.3 | R432 F452 D456 H457 L458 | R432-R454 HydrophobicContact CG-CG 4.18Å; F452-R454 PolarHBondContact O-N 3.38Å; R454-D456 IonicContact CZ-OD1 2.75Å; R454-D456 VanDerWaalsContact CZ-OD1 3.23Å; R454-D456 IonicContact NE-OD1 3.68Å; R454-D456 PolarHBondContact NE-OD1 3.38Å; R454-D456 IonicContact NH2-OD1 3.63Å; R454-D456 PolarHBondContact NH2-OD1 3.42Å; R454-D456 IonicContact NH2-OD2 2.82Å; R454-D456 PolarHBondContact NH2-OD2 3.01Å; R454-D456 PolarHBondContact O-N 3.14Å; R454-H457 HydrophobicContact CB-CB 4.31Å; R454-H457 WeakPolarHBondContact CD-NE2 3.44Å; R454-H457 PolarHBondContact NE-CE1 3.03Å; R454-H457 VanDerWaalsContact NE-CE1 3.3Å; R454-H457 PolarHBondContact NE-NE2 2.88Å; R454-H457 PolarHBondContact O-N 3.11Å; R454-L458 PolarHBondContact O-N 3.22Å |
| 455 | S | 93.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 76 Ų | 76 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 177.3 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | Y443 H457 L458 S459 | Y443-S455 VanDerWaalsContact CD2-N 3.32Å; S455-H457 VanDerWaalsContact C-N 3.28Å; S455-H457 PolarHBondContact O-N 3.4Å; S455-L458 PolarHBondContact O-N 3.38Å; S455-S459 WeakPolarHBondContact O-CB 3.36Å; S455-S459 PolarHBondContact O-N 3.42Å; S455-S459 PolarHBondContact O-OG 3.3Å |
| 456 | D | 92.6 | Very high | 92.2 | Very high | 49 Ų | 49 | 85.4 Ų | 85.4 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.7 | -29.3 | 177.4 | 82.6 | -83.8 | 0 | 0 | 0 | 112.6 | R454 K460 | R454-D456 IonicContact CZ-OD1 2.75Å; R454-D456 VanDerWaalsContact CZ-OD1 3.23Å; R454-D456 IonicContact NE-OD1 3.68Å; R454-D456 PolarHBondContact NE-OD1 3.38Å; R454-D456 IonicContact NH2-OD1 3.63Å; R454-D456 PolarHBondContact NH2-OD1 3.42Å; R454-D456 IonicContact NH2-OD2 2.82Å; R454-D456 PolarHBondContact NH2-OD2 3.01Å; R454-D456 PolarHBondContact O-N 3.14Å; D456-K460 WeakPolarHBondContact O-CD 3.39Å; D456-K460 VanDerWaalsContact O-CG 3.24Å; D456-K460 WeakPolarHBondContact O-CG 3.39Å; D456-K460 PolarHBondContact O-N 3.33Å; D456-K460 WeakPolarHBondContact OD2-CE 3.32Å; D456-K460 IonicContact OD2-NZ 2.77Å; D456-K460 PolarHBondContact OD2-NZ 2.67Å |
| 457 | H | 94.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 87 Ų | 87 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.4 | -44.5 | 175.3 | -64.6 | 3.9 | 0 | 0 | 0 | 110.7 | F452 R454 S455 S459 K460 H461 | F452-H457 HydrophobicContact CB-CB 4.37Å; F452-H457 HydrophobicContact CD1-CB 3.94Å; F452-H457 HydrophobicContact CG-CB 4.41Å; R454-H457 HydrophobicContact CB-CB 4.31Å; R454-H457 WeakPolarHBondContact CD-NE2 3.44Å; R454-H457 PolarHBondContact NE-CE1 3.03Å; R454-H457 VanDerWaalsContact NE-CE1 3.3Å; R454-H457 PolarHBondContact NE-NE2 2.88Å; R454-H457 PolarHBondContact O-N 3.11Å; S455-H457 VanDerWaalsContact C-N 3.28Å; S455-H457 PolarHBondContact O-N 3.4Å; H457-S459 VanDerWaalsContact C-N 3.33Å; H457-S459 PolarHBondContact O-N 2.98Å; H457-K460 PolarHBondContact O-N 3.01Å; H457-H461 WeakPolarHBondContact O-CB 3.34Å; H457-H461 PolarHBondContact O-N 3.11Å |
| 458 | L | 95.8 | Very high | 89.7 | Confident | 22 Ų | 22 | 87.1 Ų | 87.1 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 170 | 174.2 | 60.4 | 0 | 0 | 0 | 111.5 | Q444 C445 F452 R454 S455 K460 H461 I462 | Q444-L458 WeakPolarHBondContact O-CD2 3.44Å; C445-L458 HydrophobicContact CB-CD1 3.93Å; F452-L458 HydrophobicContact CB-CB 4.38Å; F452-L458 HydrophobicContact CD2-CB 3.92Å; F452-L458 HydrophobicContact CD2-CD1 3.89Å; F452-L458 HydrophobicContact CE2-CD1 4.02Å; F452-L458 HydrophobicContact CG-CB 4.29Å; R454-L458 PolarHBondContact O-N 3.22Å; S455-L458 PolarHBondContact O-N 3.38Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 3.38Å; L458-H461 WeakPolarHBondContact O-CB 3.22Å; L458-H461 PolarHBondContact O-N 3.39Å; L458-H461 VanDerWaalsContact O-N 3.13Å; L458-I462 HydrophobicContact CD1-CD1 3.76Å; L458-I462 HydrophobicContact CD1-CG1 3.86Å; L458-I462 HydrophobicContact CD2-CD1 4.4Å; L458-I462 HydrophobicContact CG-CD1 3.79Å; L458-I462 HydrophobicContact CG-CG1 4.33Å; L458-I462 WeakPolarHBondContact O-CG1 3.48Å; L458-I462 PolarHBondContact O-N 2.78Å |
| 459 | S | 94.5 | Very high | 87.9 | Confident | 69 Ų | 69 | 96 Ų | 96 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -30.4 | 179.2 | -66.7 | 0 | 0 | 0 | 0 | 113.8 | S455 H457 | S455-S459 WeakPolarHBondContact O-CB 3.36Å; S455-S459 PolarHBondContact O-N 3.42Å; S455-S459 PolarHBondContact O-OG 3.3Å; H457-S459 VanDerWaalsContact C-N 3.33Å; H457-S459 PolarHBondContact O-N 2.98Å |
| 460 | K | 93.4 | Very high | 86.2 | Confident | 125 Ų | 125 | 95 Ų | 95 | 54% | 0.543 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.5 | -43.3 | 169.8 | -72.8 | 163.4 | -169.7 | 166 | 0 | 110.9 | D456 H457 L458 K463 | D456-K460 WeakPolarHBondContact O-CD 3.39Å; D456-K460 VanDerWaalsContact O-CG 3.24Å; D456-K460 WeakPolarHBondContact O-CG 3.39Å; D456-K460 PolarHBondContact O-N 3.33Å; D456-K460 WeakPolarHBondContact OD2-CE 3.32Å; D456-K460 IonicContact OD2-NZ 2.77Å; D456-K460 PolarHBondContact OD2-NZ 2.67Å; H457-K460 PolarHBondContact O-N 3.01Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 3.38Å; K460-K463 WeakPolarHBondContact O-CB 3.36Å; K460-K463 PolarHBondContact O-N 3.11Å |
| 461 | H | 93.9 | Very high | 84.3 | Confident | 36 Ų | 36 | 92 Ų | 92 | 17% | 0.167 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 179.5 | 173.2 | 68.5 | 0 | 0 | 0 | 113.2 | C445 C448 F452 H457 L458 K463 V464 H465 | C445-H461 VanDerWaalsContact SG-CD2 3.57Å; C445-H461 PolarHBondContact SG-NE2 2.75Å; C448-H461 PolarHBondContact SG-NE2 3.17Å; F452-H461 HydrophobicContact CE1-CB 4.12Å; F452-H461 HydrophobicContact CE2-CB 4.02Å; F452-H461 AromaticContact CE2-CD2 3.45Å; F452-H461 VanDerWaalsContact CE2-CD2 3.45Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.42Å; F452-H461 AromaticContact CE2-CG 3.78Å; F452-H461 HydrophobicContact CZ-CB 3.55Å; F452-H461 AromaticContact CZ-CD2 3.47Å; F452-H461 VanDerWaalsContact CZ-CD2 3.47Å; F452-H461 WeakPolarHBondContact CZ-CD2 3.4Å; F452-H461 AromaticContact CZ-CG 3.33Å; F452-H461 AromaticContact CZ-ND1 3.87Å; H457-H461 WeakPolarHBondContact O-CB 3.34Å; H457-H461 PolarHBondContact O-N 3.11Å; L458-H461 WeakPolarHBondContact O-CB 3.22Å; L458-H461 PolarHBondContact O-N 3.39Å; L458-H461 VanDerWaalsContact O-N 3.13Å; H461-K463 PolarHBondContact O-N 3Å; H461-K463 VanDerWaalsContact O-N 3.15Å; H461-V464 VanDerWaalsContact O-CB 3.28Å; H461-V464 WeakPolarHBondContact O-CB 3.31Å; H461-V464 PolarHBondContact O-N 3.13Å; H461-H465 AromaticContact CD2-NE2 3.83Å; H461-H465 AromaticContact CE1-NE2 3.38Å; H461-H465 PolarHBondContact CE1-NE2 2.66Å; H461-H465 AromaticContact NE2-CD2 3.81Å; H461-H465 AromaticContact NE2-NE2 3.01Å; H461-H465 PolarHBondContact NE2-NE2 3.21Å |
| 462 | I | 92.8 | Very high | 82 | Confident | 66 Ų | 66 | 97.5 Ų | 97.5 | 34% | 0.338 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58 | -30.2 | 176.7 | -71.5 | 169.5 | 0 | 0 | 0 | 111.9 | L458 V464 H465 R466 | L458-I462 HydrophobicContact CD1-CD1 3.76Å; L458-I462 HydrophobicContact CD1-CG1 3.86Å; L458-I462 HydrophobicContact CD2-CD1 4.4Å; L458-I462 HydrophobicContact CG-CD1 3.79Å; L458-I462 HydrophobicContact CG-CG1 4.33Å; L458-I462 WeakPolarHBondContact O-CG1 3.48Å; L458-I462 PolarHBondContact O-N 2.78Å; I462-V464 PolarHBondContact O-N 3.3Å; I462-H465 PolarHBondContact O-N 3.28Å; I462-R466 PolarHBondContact O-N 3.39Å |
| 463 | K | 92.6 | Very high | 79.7 | Confident | 138 Ų | 138 | 101.5 Ų | 101.5 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -25.7 | 175.1 | -63.3 | 176 | -176.9 | -173.3 | 0 | 112.9 | K460 H461 R466 F467 | K460-K463 WeakPolarHBondContact O-CB 3.36Å; K460-K463 PolarHBondContact O-N 3.11Å; H461-K463 PolarHBondContact O-N 3Å; H461-K463 VanDerWaalsContact O-N 3.15Å; K463-R466 PolarHBondContact O-N 3.23Å; K463-F467 PolarHBondContact O-N 3.12Å |
| 464 | V | 89.7 | Confident | 77.7 | Confident | 85 Ų | 85 | 106 Ų | 106 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.7 | -34.9 | 176.2 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | H461 I462 F467 P468 | H461-V464 VanDerWaalsContact O-CB 3.28Å; H461-V464 WeakPolarHBondContact O-CB 3.31Å; H461-V464 PolarHBondContact O-N 3.13Å; I462-V464 PolarHBondContact O-N 3.3Å; V464-F467 CarbonylContact O-C 3.59Å; V464-P468 WeakPolarHBondContact O-CA 3.43Å |
| 465 | H | 86.5 | Confident | 75.5 | Confident | 70 Ų | 70 | 113.5 Ų | 113.5 | 32% | 0.324 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.5 | -30.5 | 173 | -62.6 | -59.3 | 0 | 0 | 0 | 112.7 | V447 C448 H461 I462 | V447-H465 HydrophobicContact CB-CB 4.48Å; V447-H465 HydrophobicContact CG1-CB 4.14Å; V447-H465 HydrophobicContact CG2-CB 4.39Å; C448-H465 PolarHBondContact SG-CE1 2.93Å; C448-H465 PolarHBondContact SG-NE2 2.93Å; H461-H465 AromaticContact CD2-NE2 3.83Å; H461-H465 AromaticContact CE1-NE2 3.38Å; H461-H465 PolarHBondContact CE1-NE2 2.66Å; H461-H465 AromaticContact NE2-CD2 3.81Å; H461-H465 AromaticContact NE2-NE2 3.01Å; H461-H465 PolarHBondContact NE2-NE2 3.21Å; I462-H465 PolarHBondContact O-N 3.28Å |
| 466 | R | 79.4 | Confident | 73 | Confident | 198 Ų | 198 | 115.3 Ų | 115.3 | 75% | 0.747 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.7 | -28.9 | 175.5 | -165.9 | 176.4 | -174.6 | 95.5 | 1.1 | 113 | I462 K463 | I462-R466 PolarHBondContact O-N 3.39Å; K463-R466 PolarHBondContact O-N 3.23Å |
| 467 | F | 71.5 | Confident | 70.9 | Confident | 146 Ų | 146 | 118.2 Ų | 118.2 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -136 | 73.9 | 179.4 | -57.7 | -72.7 | 0 | 0 | 0 | 109.6 | K463 V464 R469 | K463-F467 PolarHBondContact O-N 3.12Å; V464-F467 CarbonylContact O-C 3.59Å; F467-R469 PolarHBondContact O-N 3.3Å |
| 468 | P | 62.9 | Low | 68.5 | Low | 96 Ų | 96 | 125.2 Ų | 125.2 | 62% | 0.623 | 65% | 0.649 | S | S | * | * | trans | -58.9 | 132 | 170.5 | 25.6 | -33.7 | 0 | 0 | 0 | 108.5 | V464 S470 | V464-P468 WeakPolarHBondContact O-CA 3.43Å; P468-S470 PolarHBondContact O-N 3.01Å | ||
| 469 | R | 56.8 | Low | 67.1 | Low | 238 Ų | 238 | 130.4 Ų | 130.4 | 90% | 0.898 | 68% | 0.676 | S | S | * | * | trans | -66.9 | 96.5 | 175.2 | -87.5 | -179.7 | 148.4 | 93.5 | -5.8 | 109.3 | F467 | F467-R469 PolarHBondContact O-N 3.3Š| ||
| 470 | S | 57 | Low | 65.7 | Low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | -57 | 138.6 | 160.2 | 46.4 | 0 | 0 | 0 | 0 | 109 | P468 | P468-S470 PolarHBondContact O-N 3.01Š| ||
| 471 | G | 52.5 | Low | 64.2 | Low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | trans | 81 | 56.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 472 | R | 46.3 | Very low | 62.4 | Low | 237 Ų | 237 | 139.8 Ų | 139.8 | 89% | 0.894 | 73% | 0.725 | S | S | * | * | trans | -100.1 | 83.1 | 130.9 | -136.3 | -169.1 | -65.2 | -165.4 | 1.1 | 107 | V474 | R472-V474 PolarHBondContact O-N 2.83Å; R472-V474 VanDerWaalsContact O-N 3.16Å | ||
| 473 | T | 45.8 | Very low | 60.5 | Low | 124 Ų | 124 | 144.4 Ų | 144.4 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -62.3 | 114.7 | 168.9 | 33 | 0 | 0 | 0 | 0 | 107.5 | R475 | T473-R475 PolarHBondContact O-N 3.41Š| ||
| 474 | V | 48.3 | Very low | 58.4 | Low | 129 Ų | 129 | 144.9 Ų | 144.9 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -64.2 | 110.3 | 166.1 | 179.2 | 0 | 0 | 0 | 0 | 105.6 | R472 S476 | R472-V474 PolarHBondContact O-N 2.83Å; R472-V474 VanDerWaalsContact O-N 3.16Å; V474-S476 PolarHBondContact O-N 3.09Å; V474-S476 VanDerWaalsContact O-N 3.1Å | ||
| 475 | R | 44.8 | Very low | 56.1 | Low | 235 Ų | 235 | 149.1 Ų | 149.1 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | -66.6 | 106 | 160.9 | -73.9 | -177.8 | 177.4 | 169.7 | -1.8 | 105.4 | T473 A477 | T473-R475 PolarHBondContact O-N 3.41Å; R475-A477 PolarHBondContact O-N 3.12Å; R475-A477 VanDerWaalsContact O-N 3.11Å | ||
| 476 | S | 42 | Very low | 53.8 | Low | 100 Ų | 100 | 155.2 Ų | 155.2 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -55.7 | 118.1 | 165.5 | -61 | 0 | 0 | 0 | 0 | 107.6 | V474 N478 | V474-S476 PolarHBondContact O-N 3.09Å; V474-S476 VanDerWaalsContact O-N 3.1Å; S476-N478 PolarHBondContact O-N 3.43Å | ||
| 477 | A | 47.7 | Very low | 51.7 | Low | 109 Ų | 109 | 151.7 Ų | 151.7 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 123.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | R475 | R475-A477 PolarHBondContact O-N 3.12Å; R475-A477 VanDerWaalsContact O-N 3.11Å | ||
| 478 | N | 44.7 | Very low | 49.9 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 100% | 1.166 | 83% | 0.832 | S | S | * | * | trans | -148.1 | 0 | -177 | -170 | 115.2 | 0 | 0 | 0 | 107.7 | S476 | S476-N478 PolarHBondContact O-N 3.43Š|
Retrieved 478 of 478 residues in 613.4 ms
(Link to these results)