| 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 | 53 | Low | 59.2 | Low | 244 Ų | 244 | 153.2 Ų | 153.2 | 100% | 1.202 | 85% | 0.849 | S | S | * | * | 0 | 113.7 | 0 | -74.3 | -178.7 | 143.2 | 0 | 0 | 108.8 | |||||
| 2 | P | 53 | Low | 59 | Low | 122 Ų | 122 | 151.1 Ų | 151.1 | 79% | 0.792 | 85% | 0.852 | S | S | * | * | trans | -106.3 | 138.9 | -175.5 | 35.1 | -25 | 0 | 0 | 0 | 114.6 | ||||
| 3 | K | 52.5 | Low | 58.8 | Low | 195 Ų | 195 | 148.8 Ų | 148.8 | 85% | 0.848 | 85% | 0.852 | S | S | * | * | trans | 56.6 | 117.9 | 132 | -74.8 | -178.1 | 178.2 | 176.9 | 0 | 123.7 | ||||
| 4 | S | 64.3 | Low | 58.8 | Low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 85% | 0.854 | S | S | * | * | 82.8 | 127.3 | 123.2 | -50.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 5 | K | 71 | Confident | 58.7 | Low | 208 Ų | 208 | 143.7 Ų | 143.7 | 90% | 0.904 | 85% | 0.851 | S | S | * | * | trans | -163.1 | 103.4 | 139.7 | -105.8 | 167.3 | -175.7 | 179.5 | 0 | 110.3 | ||||
| 6 | E | 60.5 | Low | 59.2 | Low | 175 Ų | 175 | 144.3 Ų | 144.3 | 82% | 0.818 | 85% | 0.849 | S | S | * | * | trans | -75 | 146.5 | 158 | -79.6 | -161.3 | 95.7 | 0 | 0 | 109.7 | ||||
| 7 | L | 71.3 | Confident | 59.5 | Low | 167 Ų | 167 | 142.1 Ų | 142.1 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -130.2 | 105.6 | 162.8 | -73.7 | 174.2 | 0 | 0 | 0 | 107.9 | ||||
| 8 | V | 55.3 | Low | 59.5 | Low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 84% | 0.84 | S | S | * | * | trans | -89.6 | 131.9 | 163.4 | -73.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 9 | S | 63.1 | Low | 59.1 | Low | 124 Ų | 124 | 139.5 Ų | 139.5 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -121.8 | 123.7 | 169.1 | -69.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | S | 54.8 | Low | 59 | Low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | -89.9 | 152.2 | -174.2 | 46.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 11 | S | 52.7 | Low | 58.6 | Low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | 60 | 119.5 | 141.5 | 66.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 12 | S | 56.7 | Low | 59 | Low | 128 Ų | 128 | 136.1 Ų | 136.1 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | -152.1 | 130.1 | 125.8 | 45.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 13 | S | 55.7 | Low | 59.1 | Low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -99.2 | 137.4 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 14 | A | 59.1 | Low | 59.2 | Low | 107 Ų | 107 | 139.8 Ų | 139.8 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -152.9 | 120.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 15 | S | 58.3 | Low | 58.7 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 131.4 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 16 | D | 65.8 | Low | 57.8 | Low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -163 | 146.1 | 173.6 | -113.9 | -48.9 | 0 | 0 | 0 | 106.2 | ||||
| 17 | S | 64.3 | Low | 57.5 | Low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | cis | -176.1 | 161.7 | -22.7 | -104.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 18 | D | 59.1 | Low | 56.5 | Low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -69.9 | 163.8 | -164.4 | -134.3 | -58.7 | 0 | 0 | 0 | 117.5 | ||||
| 19 | S | 52.4 | Low | 56.5 | Low | 86 Ų | 86 | 148 Ų | 148 | 60% | 0.601 | 82% | 0.822 | S | S | * | * | trans | 32.3 | 138.8 | 147.3 | 59.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 20 | E | 57.2 | Low | 56 | Low | 168 Ų | 168 | 150.6 Ų | 150.6 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | -174.1 | 135.4 | 112.5 | -95.2 | -73.8 | 83.8 | 0 | 0 | 111.4 | |||||
| 21 | V | 50.6 | Low | 55.8 | Low | 127 Ų | 127 | 150.3 Ų | 150.3 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -104.5 | 102.2 | -178.6 | -173.7 | 0 | 0 | 0 | 0 | 108 | K23 | V21-K23 PolarHBondContact O-N 3.38Š| ||
| 22 | D | 61.4 | Low | 56 | Low | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -82.7 | 113.1 | 177.7 | -116.8 | -61.1 | 0 | 0 | 0 | 111.9 | ||||
| 23 | K | 54.3 | Low | 55.5 | Low | 183 Ų | 183 | 149.3 Ų | 149.3 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | trans | -88.7 | 154.1 | 164.4 | -76.9 | 173.7 | 176.9 | 166.9 | 0 | 108.8 | V21 | V21-K23 PolarHBondContact O-N 3.38Š| ||
| 24 | K | 54.9 | Low | 55.5 | Low | 210 Ų | 210 | 151.2 Ų | 151.2 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | 100 | 114.4 | 164.2 | -152.5 | 175.1 | -170.8 | 178.4 | 0 | 111.1 | ||||
| 25 | A | 53.4 | Low | 55.6 | Low | 99 Ų | 99 | 154.3 Ų | 154.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | -161.5 | 142 | 63.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 26 | K | 53.2 | Low | 55.1 | Low | 207 Ų | 207 | 154.4 Ų | 154.4 | 90% | 0.9 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 125.5 | 172 | -178.5 | -177.3 | -173.1 | 177.2 | 0 | 110.7 | ||||
| 27 | R | 54.8 | Low | 54.6 | Low | 256 Ų | 256 | 153.8 Ų | 153.8 | 97% | 0.966 | 81% | 0.81 | S | S | * | * | trans | -156.8 | 115.5 | 145.1 | -121.6 | 172.8 | 171.9 | -179.7 | -2.6 | 113.2 | ||||
| 28 | K | 50.4 | Low | 53.9 | Low | 202 Ų | 202 | 158 Ų | 158 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -96.6 | 124.2 | 176.3 | -166.3 | -178.9 | -172.4 | -178.3 | 0 | 106.9 | ||||
| 29 | K | 53.5 | Low | 53.2 | Low | 192 Ų | 192 | 159.2 Ų | 159.2 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -158.4 | 93 | 162.3 | -138.7 | 174.3 | -177.5 | -173.1 | 0 | 106.5 | ||||
| 30 | Q | 53 | Low | 53.2 | Low | 179 Ų | 179 | 162.6 Ų | 162.6 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | 71.3 | 127 | 92.6 | -76.1 | -177.5 | -5.2 | 0 | 0 | 113.5 | |||||
| 31 | A | 50.7 | Low | 52.7 | Low | 101 Ų | 101 | 163 Ų | 163 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -66.3 | 154.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 32 | A | 57.7 | Low | 52.2 | Low | 102 Ų | 102 | 163.6 Ų | 163.6 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -157.8 | 121.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 33 | P | 46.6 | Very low | 51.3 | Low | 115 Ų | 115 | 160 Ų | 160 | 75% | 0.747 | 82% | 0.823 | S | S | * | * | trans | -97.2 | 169.3 | 157.2 | 35.5 | -25.5 | 0 | 0 | 0 | 110.6 | ||||
| 34 | E | 55.3 | Low | 50.8 | Low | 161 Ų | 161 | 160.3 Ų | 160.3 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | 115.6 | 135.7 | 178.7 | -68.9 | -166.6 | 126.6 | 0 | 0 | 111.3 | ||||
| 35 | K | 61 | Low | 50.4 | Low | 171 Ų | 171 | 155 Ų | 155 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | cis | -165 | 161 | -1.2 | -107.1 | 164.3 | 175 | 149.9 | 0 | 106.4 | ||||
| 36 | P | 46.7 | Very low | 50.2 | Low | 117 Ų | 117 | 155.3 Ų | 155.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -101.9 | 139.9 | -175.5 | 35.9 | -28.1 | 0 | 0 | 0 | 114 | ||||
| 37 | V | 55.3 | Low | 49.8 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -152.8 | 101.1 | 163.9 | -165.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 38 | K | 49.6 | Very low | 49.1 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | 34.1 | 121.7 | 122.6 | -148.3 | 175 | -167.7 | 173.8 | 0 | 120.8 | |||||
| 39 | K | 46.3 | Very low | 48.6 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | 174 | 118.2 | 124.3 | -100.4 | 180 | 171.5 | 173.9 | 0 | 111.5 | |||||
| 40 | Q | 52.1 | Low | 48.2 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | 77.7 | 140.8 | 106.3 | -77.4 | 179.2 | -41.6 | 0 | 0 | 114.2 | |||||
| 41 | K | 45.1 | Very low | 47.9 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | cis | -176.2 | 148.8 | -16.4 | -146.1 | -174.7 | -174.9 | -170.8 | 0 | 104.8 | ||||
| 42 | T | 40.4 | Very low | 47.7 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | 68.3 | 124.1 | 151.6 | 31.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 43 | G | 44 | Very low | 46.9 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 174.5 | 77.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | E | 42.3 | Very low | 46.9 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -66.6 | 125.8 | 178.9 | -175.6 | 179.1 | 106.3 | 0 | 0 | 112.6 | ||||
| 45 | S | 47.9 | Very low | 46.5 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | 165.2 | 120.9 | 134.4 | -100.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 46 | S | 48.4 | Very low | 46 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 53.8 | 137.2 | 134.9 | 61.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 47 | K | 44.6 | Very low | 46.3 | Very low | 214 Ų | 214 | 132.9 Ų | 132.9 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | trans | 78.3 | 110.2 | 162.2 | -78 | 174.7 | 172 | 169.1 | 0 | 117.9 | ||||
| 48 | G | 41 | Very low | 46.4 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | 160.9 | 41.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A50 | G48-A50 PolarHBondContact O-N 3.47Š| ||
| 49 | A | 39.1 | Very low | 47.3 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 96% | 0.959 | 75% | 0.747 | S | S | * | * | trans | -67.3 | 87.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 50 | A | 45.8 | Very low | 49 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -133.4 | 58.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G48 S52 | G48-A50 PolarHBondContact O-N 3.47Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 3.4Å | ||
| 51 | S | 47.5 | Very low | 50.9 | Low | 107 Ų | 107 | 124.4 Ų | 124.4 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -66.4 | 96.5 | 164.9 | -168.2 | 0 | 0 | 0 | 0 | 108.3 | K53 | S51-K53 PolarHBondContact O-N 3.21Š| ||
| 52 | S | 45.2 | Very low | 53.2 | Low | 95 Ų | 95 | 118 Ų | 118 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | 34.6 | 71.9 | 139.9 | 60.8 | 0 | 0 | 0 | 0 | 116.7 | A50 Q54 | A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 3.4Å; S52-Q54 PolarHBondContact O-N 3.35Å; S52-Q54 VanDerWaalsContact O-N 3.12Å | ||
| 53 | K | 41.4 | Very low | 55.9 | Low | 209 Ų | 209 | 116.7 Ų | 116.7 | 91% | 0.909 | 68% | 0.678 | S | S | * | * | trans | -81.9 | 41.8 | 172.4 | -116.4 | 180 | -173.3 | 177.3 | 0 | 113 | S51 | S51-K53 PolarHBondContact O-N 3.21Š| ||
| 54 | Q | 46.3 | Very low | 58.4 | Low | 167 Ų | 167 | 118.6 Ų | 118.6 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | trans | -114.1 | 44.9 | 177.8 | -160.7 | -173.6 | -39.8 | 0 | 0 | 111.5 | S52 | S52-Q54 PolarHBondContact O-N 3.35Å; S52-Q54 VanDerWaalsContact O-N 3.12Å | ||
| 55 | S | 47.2 | Very low | 61 | Low | 69 Ų | 69 | 114.5 Ų | 114.5 | 48% | 0.483 | 65% | 0.648 | S | S | . | * | trans | -125.7 | -18.9 | 175.2 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | N57 R58 | S55-N57 VanDerWaalsContact C-N 3.31Å; S55-N57 PolarHBondContact O-N 3.42Å; S55-R58 PolarHBondContact O-N 3.46Å | ||
| 56 | S | 50.1 | Low | 63.3 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.6 | -26.4 | -169.2 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 57 | N | 52.4 | Low | 65.5 | Low | 104 Ų | 104 | 115.1 Ų | 115.1 | 56% | 0.556 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -89.2 | -18.9 | -179.7 | -158.2 | -85.9 | 0 | 0 | 0 | 113.5 | S55 D59 | S55-N57 VanDerWaalsContact C-N 3.31Å; S55-N57 PolarHBondContact O-N 3.42Å; N57-D59 VanDerWaalsContact C-N 3.28Å; N57-D59 PolarHBondContact O-N 3.03Å |
| 58 | R | 59 | Low | 67.9 | Low | 189 Ų | 189 | 107 Ų | 107 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68 | -33.4 | -177.8 | -86.5 | -172.9 | 175 | 170.9 | 0.7 | 111.9 | S55 | S55-R58 PolarHBondContact O-N 3.46Å |
| 59 | D | 68.4 | Low | 70.6 | Confident | 104 Ų | 104 | 110 Ų | 110 | 56% | 0.556 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -85.1 | -31.5 | -173.6 | -57.5 | -43.9 | 0 | 0 | 0 | 112.4 | N57 N61 M62 | N57-D59 VanDerWaalsContact C-N 3.28Å; N57-D59 PolarHBondContact O-N 3.03Å; D59-N61 PolarHBondContact O-N 3.36Å; D59-M62 PolarHBondContact O-N 2.86Å |
| 60 | E | 80.5 | Confident | 73.4 | Confident | 137 Ų | 137 | 105.5 Ų | 105.5 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -31.1 | -177.9 | -70.5 | 175.8 | 177.4 | 0 | 0 | 113.2 | ||
| 61 | N | 92.7 | Very high | 75.9 | Confident | 59 Ų | 59 | 102 Ų | 102 | 32% | 0.316 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 19.4 | -177.4 | -64.8 | -50.6 | 0 | 0 | 0 | 113.1 | D59 S72 V73 | D59-N61 PolarHBondContact O-N 3.36Å; N61-S72 CarbonylContact O-C 3.55Å; N61-S72 WeakPolarHBondContact O-CA 3.42Å; N61-V73 HydrophobicContact CB-CB 4.2Å; N61-V73 WeakPolarHBondContact CB-O 3.31Å; N61-V73 PolarHBondContact O-N 3.47Å |
| 62 | M | 94.1 | Very high | 78.2 | Confident | 41 Ų | 41 | 97.4 Ų | 97.4 | 20% | 0.202 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.5 | -178.6 | -165.6 | 163.1 | 108.3 | 0 | 0 | 111.3 | D59 Y70 V71 M95 | D59-M62 PolarHBondContact O-N 2.86Å; M62-Y70 HydrophobicContact CE-CD1 3.36Å; M62-Y70 HydrophobicContact CE-CD2 3.95Å; M62-Y70 HydrophobicContact CE-CE1 3.43Å; M62-Y70 VanDerWaalsContact CE-CE1 3.43Å; M62-Y70 HydrophobicContact CE-CE2 4.02Å; M62-Y70 HydrophobicContact CE-CG 3.63Å; M62-Y70 HydrophobicContact CG-CD1 3.67Å; M62-Y70 HydrophobicContact CG-CG 3.94Å; M62-Y70 HydrophobicContact SD-CD1 4.15Å; M62-Y70 HydrophobicContact SD-CG 4.13Å; M62-V71 CarbonylContact C-O 3.6Å; M62-M95 HydrophobicContact CE-CE 4.12Å |
| 63 | F | 96.2 | Very high | 80.7 | Confident | 112 Ų | 112 | 95.4 Ų | 95.4 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.5 | -178 | -51.4 | -84.1 | 0 | 0 | 0 | 110 | Y70 V71 V73 | F63-Y70 CarbonylContact O-C 3.45Å; F63-Y70 WeakPolarHBondContact O-CA 3.4Å; F63-V71 HydrophobicContact CB-CB 4.35Å; F63-V71 WeakPolarHBondContact CD2-O 3.31Å; F63-V71 PolarHBondContact N-O 2.67Å; F63-V71 PolarHBondContact O-N 3.35Å; F63-V73 HydrophobicContact CE2-CG2 4.12Å |
| 64 | Q | 96.2 | Very high | 83.2 | Confident | 123 Ų | 123 | 90.1 Ų | 90.1 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 128.2 | 179.6 | -169.4 | 171.4 | 13.4 | 0 | 0 | 111.3 | G66 Y70 | Q64-G66 WeakPolarHBondContact CG-O 3.37Å; Q64-G66 PolarHBondContact NE2-O 3.18Å; Q64-Y70 HydrophobicContact CB-CD1 3.76Å; Q64-Y70 HydrophobicContact CB-CE1 3.59Å; Q64-Y70 HydrophobicContact CG-CD1 4Å; Q64-Y70 HydrophobicContact CG-CE1 3.56Å |
| 65 | I | 97 | Very high | 85.5 | Confident | 103 Ų | 103 | 87.5 Ų | 87.5 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 0.6 | 177 | 59.9 | 164.5 | 0 | 0 | 0 | 112.8 | R69 V71 I84 | I65-R69 HydrophobicContact CD1-CB 4.32Å; I65-R69 HydrophobicContact CG1-CB 3.84Å; I65-R69 WeakPolarHBondContact CG1-O 3.49Å; I65-R69 PolarHBondContact N-O 3Å; I65-V71 HydrophobicContact CD1-CG2 3.89Å; I65-V71 HydrophobicContact CG1-CG2 4.31Å; I65-V71 HydrophobicContact CG2-CG2 3.82Å; I65-I84 HydrophobicContact CD1-CG2 4.07Å |
| 66 | G | 95.5 | Very high | 87.7 | Confident | 28 Ų | 28 | 88.9 Ų | 88.9 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | -179.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q64 M68 R69 | Q64-G66 WeakPolarHBondContact CG-O 3.37Å; Q64-G66 PolarHBondContact NE2-O 3.18Å; G66-M68 VanDerWaalsContact C-N 3.29Å; G66-M68 PolarHBondContact O-N 2.95Å; G66-R69 PolarHBondContact N-O 2.92Å; G66-R69 PolarHBondContact O-N 3.48Å |
| 67 | K | 95.3 | Very high | 89.8 | Confident | 190 Ų | 190 | 93.5 Ų | 93.5 | 83% | 0.826 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -45.8 | -175.6 | -175 | 178.9 | 178.6 | 178.3 | 0 | 113 | ||
| 68 | M | 95.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 91.8 Ų | 91.8 | 22% | 0.217 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 30.6 | 179.2 | -62.4 | -59.9 | -70.6 | 0 | 0 | 111 | G66 E86 Y87 M89 | G66-M68 VanDerWaalsContact C-N 3.29Å; G66-M68 PolarHBondContact O-N 2.95Å; M68-E86 CarbonylContact O-C 3.46Å; M68-E86 VanDerWaalsContact O-CA 3.29Å; M68-E86 WeakPolarHBondContact O-CA 3.49Å; M68-Y87 WeakPolarHBondContact CB-O 3.1Å; M68-Y87 PolarHBondContact O-N 3.46Å; M68-M89 HydrophobicContact CE-CG 3.9Å |
| 69 | R | 97.6 | Very high | 93.7 | Very high | 134 Ų | 134 | 89.9 Ų | 89.9 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.3 | -176.7 | -68.8 | -176.3 | 176.8 | -174 | -0.8 | 110.1 | I65 G66 R85 E86 | I65-R69 HydrophobicContact CD1-CB 4.32Å; I65-R69 HydrophobicContact CG1-CB 3.84Å; I65-R69 WeakPolarHBondContact CG1-O 3.49Å; I65-R69 PolarHBondContact N-O 3Å; G66-R69 PolarHBondContact N-O 2.92Å; G66-R69 PolarHBondContact O-N 3.48Å; R69-R85 WeakPolarHBondContact CA-O 3.48Å; R69-E86 HydrophobicContact CG-CB 4.3Å; R69-E86 HydrophobicContact CG-CG 4.37Å; R69-E86 IonicContact CZ-OE2 3.55Å; R69-E86 IonicContact NE-OE2 3.56Å; R69-E86 PolarHBondContact NE-OE2 3.37Å; R69-E86 IonicContact NH2-OE2 2.77Å; R69-E86 PolarHBondContact NH2-OE2 2.99Å |
| 70 | Y | 97.3 | Very high | 95 | Very high | 23 Ų | 23 | 88.4 Ų | 88.4 | 9% | 0.09 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.2 | -174.9 | -60.6 | -93.1 | 0 | 0 | 0 | 110.7 | M62 F63 Q64 R85 Y87 M95 | M62-Y70 HydrophobicContact CE-CD1 3.36Å; M62-Y70 HydrophobicContact CE-CD2 3.95Å; M62-Y70 HydrophobicContact CE-CE1 3.43Å; M62-Y70 VanDerWaalsContact CE-CE1 3.43Å; M62-Y70 HydrophobicContact CE-CE2 4.02Å; M62-Y70 HydrophobicContact CE-CG 3.63Å; M62-Y70 HydrophobicContact CG-CD1 3.67Å; M62-Y70 HydrophobicContact CG-CG 3.94Å; M62-Y70 HydrophobicContact SD-CD1 4.15Å; M62-Y70 HydrophobicContact SD-CG 4.13Å; F63-Y70 CarbonylContact O-C 3.45Å; F63-Y70 WeakPolarHBondContact O-CA 3.4Å; Q64-Y70 HydrophobicContact CB-CD1 3.76Å; Q64-Y70 HydrophobicContact CB-CE1 3.59Å; Q64-Y70 HydrophobicContact CG-CD1 4Å; Q64-Y70 HydrophobicContact CG-CE1 3.56Å; Y70-R85 PolarHBondContact N-O 3.36Å; Y70-R85 PolarHBondContact O-N 2.82Å; Y70-Y87 AromaticContact CD2-CD2 3.6Å; Y70-Y87 HydrophobicContact CD2-CD2 3.6Å; Y70-Y87 HydrophobicContact CD2-CE2 4.05Å; Y70-Y87 HydrophobicContact CD2-CG 4.17Å; Y70-Y87 HydrophobicContact CE2-CD2 4.42Å; Y70-Y87 HydrophobicContact CG-CD2 4.42Å; Y70-Y87 HydrophobicContact CG-CE2 4.44Å; Y70-M95 HydrophobicContact CE2-SD 4.25Å |
| 71 | V | 97.6 | Very high | 95.8 | Very high | 18 Ų | 18 | 83.3 Ų | 83.3 | 11% | 0.109 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.7 | 162.8 | -176.8 | 0 | 0 | 0 | 0 | 106.6 | M62 F63 I65 I82 D83 I84 | M62-V71 CarbonylContact C-O 3.6Å; F63-V71 HydrophobicContact CB-CB 4.35Å; F63-V71 WeakPolarHBondContact CD2-O 3.31Å; F63-V71 PolarHBondContact N-O 2.67Å; F63-V71 PolarHBondContact O-N 3.35Å; I65-V71 HydrophobicContact CD1-CG2 3.89Å; I65-V71 HydrophobicContact CG1-CG2 4.31Å; I65-V71 HydrophobicContact CG2-CG2 3.82Å; V71-I82 HydrophobicContact CG1-CG2 3.69Å; V71-D83 CarbonylContact C-O 3.5Å; V71-D83 VanDerWaalsContact CA-O 3.27Å; V71-D83 WeakPolarHBondContact CA-O 3.4Å; V71-I84 HydrophobicContact CG1-CG1 4.3Å; V71-I84 HydrophobicContact CG2-CG1 4.15Å; V71-I84 HydrophobicContact CG2-CG2 4.34Å |
| 72 | S | 96.5 | Very high | 96 | Very high | 11 Ų | 11 | 81 Ų | 81 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.8 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | N61 I82 D83 | N61-S72 CarbonylContact O-C 3.55Å; N61-S72 WeakPolarHBondContact O-CA 3.42Å; S72-I82 CarbonylContact O-C 3.54Å; S72-I82 WeakPolarHBondContact O-CA 3.49Å; S72-D83 PolarHBondContact N-O 3.5Å; S72-D83 PolarHBondContact O-N 3.42Å |
| 73 | V | 96.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 79.2 Ų | 79.2 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.3 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | N61 F63 V80 L81 I82 | N61-V73 HydrophobicContact CB-CB 4.2Å; N61-V73 WeakPolarHBondContact CB-O 3.31Å; N61-V73 PolarHBondContact O-N 3.47Å; F63-V73 HydrophobicContact CE2-CG2 4.12Å; V73-V80 HydrophobicContact CG1-CG1 4.03Å; V73-L81 WeakPolarHBondContact CA-O 3.04Å; V73-I82 HydrophobicContact CG2-CG1 4.42Å |
| 74 | R | 94.2 | Very high | 96.3 | Very high | 98 Ų | 98 | 76.1 Ų | 76.1 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.8 | -177.3 | 67 | -174.8 | -177.4 | 99.2 | 1.2 | 112.3 | L81 | R74-L81 PolarHBondContact N-O 3.02Å; R74-L81 PolarHBondContact O-N 3.31Å |
| 75 | D | 95 | Very high | 96.3 | Very high | 112 Ų | 112 | 72.5 Ų | 72.5 | 60% | 0.599 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.2 | 164.6 | -171.3 | -10.5 | 0 | 0 | 0 | 109.7 | G78 K79 | D75-G78 VanDerWaalsContact OD1-CA 3.22Å; D75-G78 WeakPolarHBondContact OD1-CA 3.27Å; D75-G78 PolarHBondContact OD1-N 3.23Å; D75-K79 PolarHBondContact OD1-N 3.17Å |
| 76 | F | 93 | Very high | 96.3 | Very high | 98 Ų | 98 | 70.2 Ų | 70.2 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -133 | 112.5 | 171.7 | -175 | -108.3 | 0 | 0 | 0 | 110.6 | G78 K79 L81 | F76-G78 VanDerWaalsContact C-N 3.29Å; F76-G78 PolarHBondContact O-N 3.16Å; F76-K79 PolarHBondContact N-O 3.44Å; F76-K79 PolarHBondContact O-N 3.27Å; F76-L81 HydrophobicContact CB-CD1 3.9Å; F76-L81 HydrophobicContact CD1-CD1 4.26Å; F76-L81 HydrophobicContact CG-CD1 4.44Å |
| 77 | K | 94.8 | Very high | 96.4 | Very high | 184 Ų | 184 | 70.5 Ų | 70.5 | 80% | 0.8 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 55.3 | 42.2 | -179.3 | -58 | -176 | 174.7 | -175.7 | 0 | 112.7 | K79 | K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.21Å |
| 78 | G | 95.7 | Very high | 96.4 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 75.3 | 18.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D75 F76 | D75-G78 VanDerWaalsContact OD1-CA 3.22Å; D75-G78 WeakPolarHBondContact OD1-CA 3.27Å; D75-G78 PolarHBondContact OD1-N 3.23Å; F76-G78 VanDerWaalsContact C-N 3.29Å; F76-G78 PolarHBondContact O-N 3.16Å |
| 79 | K | 96.6 | Very high | 96.4 | Very high | 149 Ų | 149 | 71.2 Ų | 71.2 | 65% | 0.648 | 34% | 0.342 | S | S | * | . | trans | -126.7 | 127.1 | 177.7 | -63 | -173.7 | -179.9 | -174.3 | 0 | 109 | D75 F76 K77 L81 | D75-K79 PolarHBondContact OD1-N 3.17Å; F76-K79 PolarHBondContact N-O 3.44Å; F76-K79 PolarHBondContact O-N 3.27Å; K77-K79 VanDerWaalsContact C-N 3.3Å; K77-K79 PolarHBondContact O-N 3.21Å; K79-L81 PolarHBondContact O-N 3.32Å | ||
| 80 | V | 96.5 | Very high | 96.3 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 129.1 | 170.6 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | V73 P106 | V73-V80 HydrophobicContact CG1-CG1 4.03Å; V80-P106 HydrophobicContact CB-CG 4.17Å; V80-P106 HydrophobicContact CG1-CG 4.37Å; V80-P106 WeakPolarHBondContact O-CD 3.1Å |
| 81 | L | 97.1 | Very high | 96.3 | Very high | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.1 | 174.8 | -65.5 | 177.4 | 0 | 0 | 0 | 110.1 | V73 R74 F76 K79 L104 | V73-L81 WeakPolarHBondContact CA-O 3.04Å; R74-L81 PolarHBondContact N-O 3.02Å; R74-L81 PolarHBondContact O-N 3.31Å; F76-L81 HydrophobicContact CB-CD1 3.9Å; F76-L81 HydrophobicContact CD1-CD1 4.26Å; F76-L81 HydrophobicContact CG-CD1 4.44Å; K79-L81 PolarHBondContact O-N 3.32Å; L81-L104 WeakPolarHBondContact CA-O 3.41Å |
| 82 | I | 97.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 80 Ų | 80 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 105.9 | 171.1 | -54.5 | 83.1 | 0 | 0 | 0 | 106.6 | V71 S72 V73 L104 P106 W109 | V71-I82 HydrophobicContact CG1-CG2 3.69Å; S72-I82 CarbonylContact O-C 3.54Å; S72-I82 WeakPolarHBondContact O-CA 3.49Å; V73-I82 HydrophobicContact CG2-CG1 4.42Å; I82-L104 HydrophobicContact CB-CB 4.5Å; I82-L104 PolarHBondContact N-O 3.34Å; I82-L104 PolarHBondContact O-N 2.78Å; I82-P106 HydrophobicContact CD1-CG 4.38Å; I82-W109 HydrophobicContact CD1-CB 3.87Å; I82-W109 HydrophobicContact CD1-CG 4.19Å; I82-W109 HydrophobicContact CG1-CB 4.24Å; I82-W109 HydrophobicContact CG1-CD2 4.42Å; I82-W109 HydrophobicContact CG1-CG 4.11Å; I82-W109 HydrophobicContact CG2-CD2 4.19Å; I82-W109 HydrophobicContact CG2-CE3 3.97Å; I82-W109 HydrophobicContact CG2-CZ3 4.28Å |
| 83 | D | 97 | Very high | 96.1 | Very high | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 118.1 | -175.7 | -168.3 | -108.1 | 0 | 0 | 0 | 110.8 | V71 S72 R85 I102 S103 | V71-D83 CarbonylContact C-O 3.5Å; V71-D83 VanDerWaalsContact CA-O 3.27Å; V71-D83 WeakPolarHBondContact CA-O 3.4Å; S72-D83 PolarHBondContact N-O 3.5Å; S72-D83 PolarHBondContact O-N 3.42Å; D83-R85 WeakPolarHBondContact OD1-CB 3.44Å; D83-R85 IonicContact OD1-CZ 3.02Å; D83-R85 IonicContact OD1-NE 3.62Å; D83-R85 PolarHBondContact OD1-NE 3.25Å; D83-R85 IonicContact OD1-NH2 2.81Å; D83-R85 IonicContact OD2-CZ 3.63Å; D83-R85 IonicContact OD2-NE 3.34Å; D83-R85 IonicContact OD2-NH2 3.59Å; D83-R85 PolarHBondContact OD2-NH2 3.45Å; D83-I102 WeakPolarHBondContact CA-O 3.43Å; D83-S103 PolarHBondContact OD2-OG 3.37Å |
| 84 | I | 97.8 | Very high | 96 | Very high | 47 Ų | 47 | 84.6 Ų | 84.6 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110 | 175 | -51.2 | 176.3 | 0 | 0 | 0 | 107.2 | I65 V71 G101 I102 L104 W109 | I65-I84 HydrophobicContact CD1-CG2 4.07Å; V71-I84 HydrophobicContact CG1-CG1 4.3Å; V71-I84 HydrophobicContact CG2-CG1 4.15Å; V71-I84 HydrophobicContact CG2-CG2 4.34Å; I84-G101 CarbonylContact O-C 3.54Å; I84-G101 WeakPolarHBondContact O-CA 3.45Å; I84-I102 HydrophobicContact CB-CG2 4.3Å; I84-I102 PolarHBondContact N-O 2.91Å; I84-I102 PolarHBondContact O-N 3.04Å; I84-L104 HydrophobicContact CD1-CD1 4.06Å; I84-W109 HydrophobicContact CD1-CZ3 4.31Å |
| 85 | R | 97.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 83.7 Ų | 83.7 | 18% | 0.181 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.1 | -166.8 | -175.9 | 172.7 | -55.6 | -79 | -9.8 | 114.7 | R69 Y70 D83 Y87 P97 G98 | R69-R85 WeakPolarHBondContact CA-O 3.48Å; Y70-R85 PolarHBondContact N-O 3.36Å; Y70-R85 PolarHBondContact O-N 2.82Å; D83-R85 WeakPolarHBondContact OD1-CB 3.44Å; D83-R85 IonicContact OD1-CZ 3.02Å; D83-R85 IonicContact OD1-NE 3.62Å; D83-R85 PolarHBondContact OD1-NE 3.25Å; D83-R85 IonicContact OD1-NH2 2.81Å; D83-R85 IonicContact OD2-CZ 3.63Å; D83-R85 IonicContact OD2-NE 3.34Å; D83-R85 IonicContact OD2-NH2 3.59Å; D83-R85 PolarHBondContact OD2-NH2 3.45Å; R85-Y87 HydrophobicContact CB-CE2 4.03Å; R85-Y87 HydrophobicContact CG-CD2 4.39Å; R85-Y87 HydrophobicContact CG-CE2 4.17Å; R85-P97 HydrophobicContact CG-CB 4.47Å; R85-G98 PolarHBondContact NH1-O 3.18Å |
| 86 | E | 97.3 | Very high | 95.8 | Very high | 54 Ų | 54 | 81.7 Ų | 81.7 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.7 | 166.8 | -172 | 172 | 117.5 | 0 | 0 | 109.9 | M68 R69 G98 K100 | M68-E86 CarbonylContact O-C 3.46Å; M68-E86 VanDerWaalsContact O-CA 3.29Å; M68-E86 WeakPolarHBondContact O-CA 3.49Å; R69-E86 HydrophobicContact CG-CB 4.3Å; R69-E86 HydrophobicContact CG-CG 4.37Å; R69-E86 IonicContact CZ-OE2 3.55Å; R69-E86 IonicContact NE-OE2 3.56Å; R69-E86 PolarHBondContact NE-OE2 3.37Å; R69-E86 IonicContact NH2-OE2 2.77Å; R69-E86 PolarHBondContact NH2-OE2 2.99Å; E86-G98 WeakPolarHBondContact O-CA 3.27Å; E86-G98 PolarHBondContact O-N 3.35Å; E86-K100 HydrophobicContact CB-CB 4.12Å; E86-K100 PolarHBondContact N-O 2.93Å; E86-K100 IonicContact OE1-NZ 3.32Å; E86-K100 PolarHBondContact OE1-NZ 3.37Å |
| 87 | Y | 97 | Very high | 95.9 | Very high | 35 Ų | 35 | 80.6 Ų | 80.6 | 14% | 0.137 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 163.4 | 176.6 | -74.7 | -108.2 | 0 | 0 | 0 | 110.1 | M68 Y70 R85 M95 K96 P97 | M68-Y87 WeakPolarHBondContact CB-O 3.1Å; M68-Y87 PolarHBondContact O-N 3.46Å; Y70-Y87 AromaticContact CD2-CD2 3.6Å; Y70-Y87 HydrophobicContact CD2-CD2 3.6Å; Y70-Y87 HydrophobicContact CD2-CE2 4.05Å; Y70-Y87 HydrophobicContact CD2-CG 4.17Å; Y70-Y87 HydrophobicContact CE2-CD2 4.42Å; Y70-Y87 HydrophobicContact CG-CD2 4.42Å; Y70-Y87 HydrophobicContact CG-CE2 4.44Å; R85-Y87 HydrophobicContact CB-CE2 4.03Å; R85-Y87 HydrophobicContact CG-CD2 4.39Å; R85-Y87 HydrophobicContact CG-CE2 4.17Å; Y87-M95 HydrophobicContact CD1-CB 4.3Å; Y87-K96 CarbonylContact C-O 3.55Å; Y87-K96 VanDerWaalsContact CA-O 3.24Å; Y87-K96 WeakPolarHBondContact CA-O 3.43Å; Y87-K96 WeakPolarHBondContact CB-O 3.2Å; Y87-K96 VanDerWaalsContact CD1-C 3.44Å; Y87-K96 WeakPolarHBondContact CD1-O 3.24Å; Y87-P97 HydrophobicContact CD1-CB 4.42Å; Y87-P97 HydrophobicContact CE1-CB 4.02Å |
| 88 | W | 96.3 | Very high | 96 | Very high | 131 Ų | 131 | 72.6 Ų | 72.6 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.4 | 170.6 | 61 | -76.2 | 0 | 0 | 0 | 108.9 | D90 M95 K96 P97 | W88-D90 HydrophobicContact CE3-CB 4.28Å; W88-D90 HydrophobicContact CH2-CB 3.78Å; W88-D90 VanDerWaalsContact CZ3-CA 3.43Å; W88-D90 HydrophobicContact CZ3-CB 3.48Å; W88-D90 VanDerWaalsContact CZ3-CB 3.48Å; W88-M95 WeakPolarHBondContact O-CA 3.22Å; W88-K96 VanDerWaalsContact CD1-O 3.25Å; W88-K96 HydrophobicContact CD2-CB 4.17Å; W88-K96 VanDerWaalsContact CE2-CB 3.49Å; W88-K96 HydrophobicContact CH2-CB 4.45Å; W88-K96 HydrophobicContact CH2-CG 4.27Å; W88-K96 HydrophobicContact CZ2-CB 3.64Å; W88-K96 HydrophobicContact CZ2-CG 3.87Å; W88-K96 PolarHBondContact N-O 3.13Å; W88-K96 PolarHBondContact O-N 3.33Å; W88-P97 PolarHBondContact NE1-O 3.09Å |
| 89 | M | 95.6 | Very high | 96 | Very high | 117 Ų | 117 | 81.3 Ų | 81.3 | 58% | 0.576 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.5 | 172.1 | -76.4 | 176.3 | 178.1 | 0 | 0 | 108.9 | M68 E94 M95 | M68-M89 HydrophobicContact CE-CG 3.9Å; M89-E94 WeakPolarHBondContact CA-O 3.38Å; M89-M95 HydrophobicContact CE-CG 4.26Å; M89-M95 HydrophobicContact CG-CG 4.28Å |
| 90 | D | 95.7 | Very high | 96.1 | Very high | 23 Ų | 23 | 80.8 Ų | 80.8 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | trans | -77.2 | -178.6 | 171.5 | 63.6 | 18.2 | 0 | 0 | 0 | 112.5 | W88 E92 G93 E94 K96 | W88-D90 HydrophobicContact CE3-CB 4.28Å; W88-D90 HydrophobicContact CH2-CB 3.78Å; W88-D90 VanDerWaalsContact CZ3-CA 3.43Å; W88-D90 HydrophobicContact CZ3-CB 3.48Å; W88-D90 VanDerWaalsContact CZ3-CB 3.48Å; D90-E92 WeakPolarHBondContact CB-OE2 3.29Å; D90-E92 PolarHBondContact O-N 2.99Å; D90-E92 WeakPolarHBondContact OD1-CA 3.4Å; D90-E92 WeakPolarHBondContact OD1-CB 3.21Å; D90-E92 PolarHBondContact OD1-N 3.08Å; D90-G93 PolarHBondContact O-N 3.43Å; D90-G93 VanDerWaalsContact O-N 3.15Å; D90-G93 PolarHBondContact OD1-N 2.96Å; D90-E94 PolarHBondContact N-O 3.4Å; D90-E94 VanDerWaalsContact N-O 3.07Å; D90-E94 PolarHBondContact OD1-N 2.97Å; D90-K96 HydrophobicContact CB-CG 4.46Å; D90-K96 WeakPolarHBondContact OD2-CE 3.44Å; D90-K96 IonicContact OD2-NZ 3.89Å | ||
| 91 | Q | 96.3 | Very high | 96.1 | Very high | 192 Ų | 192 | 79.3 Ų | 79.3 | 90% | 0.897 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23 | -178.4 | -65 | -176.5 | -7.2 | 0 | 0 | 111.4 | G93 | Q91-G93 VanDerWaalsContact C-N 3.33Š|
| 92 | E | 96.4 | Very high | 96.1 | Very high | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.673 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.3 | 176.3 | -59.4 | 70.5 | -152.9 | 0 | 0 | 112.5 | D90 | D90-E92 WeakPolarHBondContact CB-OE2 3.29Å; D90-E92 PolarHBondContact O-N 2.99Å; D90-E92 WeakPolarHBondContact OD1-CA 3.4Å; D90-E92 WeakPolarHBondContact OD1-CB 3.21Å; D90-E92 PolarHBondContact OD1-N 3.08Å |
| 93 | G | 93.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 84.1 Ų | 84.1 | 52% | 0.515 | 42% | 0.417 | S | S | . | . | trans | 87.2 | 9.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D90 Q91 | D90-G93 PolarHBondContact O-N 3.43Å; D90-G93 VanDerWaalsContact O-N 3.15Å; D90-G93 PolarHBondContact OD1-N 2.96Å; Q91-G93 VanDerWaalsContact C-N 3.33Å | ||
| 94 | E | 93.9 | Very high | 96.2 | Very high | 111 Ų | 111 | 84.8 Ų | 84.8 | 52% | 0.519 | 42% | 0.421 | S | S | . | . | trans | -80.8 | 137.5 | 175.5 | -56 | -170.1 | 159.5 | 0 | 0 | 111.3 | M89 D90 K96 | M89-E94 WeakPolarHBondContact CA-O 3.38Å; D90-E94 PolarHBondContact N-O 3.4Å; D90-E94 VanDerWaalsContact N-O 3.07Å; D90-E94 PolarHBondContact OD1-N 2.97Å; E94-K96 PolarHBondContact O-N 2.78Å; E94-K96 WeakPolarHBondContact OE2-CE 3.2Å; E94-K96 IonicContact OE2-NZ 2.62Å; E94-K96 PolarHBondContact OE2-NZ 3.33Å | ||
| 95 | M | 92.1 | Very high | 96.1 | Very high | 79 Ų | 79 | 85.1 Ų | 85.1 | 39% | 0.389 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 115.8 | 172.4 | -68.8 | -169 | -68.2 | 0 | 0 | 110.4 | M62 Y70 Y87 W88 M89 | M62-M95 HydrophobicContact CE-CE 4.12Å; Y70-M95 HydrophobicContact CE2-SD 4.25Å; Y87-M95 HydrophobicContact CD1-CB 4.3Å; W88-M95 WeakPolarHBondContact O-CA 3.22Å; M89-M95 HydrophobicContact CE-CG 4.26Å; M89-M95 HydrophobicContact CG-CG 4.28Å |
| 96 | K | 94.1 | Very high | 96.2 | Very high | 70 Ų | 70 | 85.7 Ų | 85.7 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.1 | 176.2 | -61.2 | -65 | 179.7 | -174 | 0 | 110.7 | Y87 W88 D90 E94 G98 | Y87-K96 CarbonylContact C-O 3.55Å; Y87-K96 VanDerWaalsContact CA-O 3.24Å; Y87-K96 WeakPolarHBondContact CA-O 3.43Å; Y87-K96 WeakPolarHBondContact CB-O 3.2Å; Y87-K96 VanDerWaalsContact CD1-C 3.44Å; Y87-K96 WeakPolarHBondContact CD1-O 3.24Å; W88-K96 VanDerWaalsContact CD1-O 3.25Å; W88-K96 HydrophobicContact CD2-CB 4.17Å; W88-K96 VanDerWaalsContact CE2-CB 3.49Å; W88-K96 HydrophobicContact CH2-CB 4.45Å; W88-K96 HydrophobicContact CH2-CG 4.27Å; W88-K96 HydrophobicContact CZ2-CB 3.64Å; W88-K96 HydrophobicContact CZ2-CG 3.87Å; W88-K96 PolarHBondContact N-O 3.13Å; W88-K96 PolarHBondContact O-N 3.33Å; D90-K96 HydrophobicContact CB-CG 4.46Å; D90-K96 WeakPolarHBondContact OD2-CE 3.44Å; D90-K96 IonicContact OD2-NZ 3.89Å; E94-K96 PolarHBondContact O-N 2.78Å; E94-K96 WeakPolarHBondContact OE2-CE 3.2Å; E94-K96 IonicContact OE2-NZ 2.62Å; E94-K96 PolarHBondContact OE2-NZ 3.33Å; K96-G98 PolarHBondContact O-N 2.78Å |
| 97 | P | 95.3 | Very high | 96.2 | Very high | 75 Ų | 75 | 89.1 Ų | 89.1 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 130 | 173.3 | 26 | -32.9 | 0 | 0 | 0 | 110 | R85 Y87 W88 | R85-P97 HydrophobicContact CG-CB 4.47Å; Y87-P97 HydrophobicContact CD1-CB 4.42Å; Y87-P97 HydrophobicContact CE1-CB 4.02Å; W88-P97 PolarHBondContact NE1-O 3.09Å |
| 98 | G | 95.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 91.7 Ų | 91.7 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 173.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R85 E86 K96 K100 | R85-G98 PolarHBondContact NH1-O 3.18Å; E86-G98 WeakPolarHBondContact O-CA 3.27Å; E86-G98 PolarHBondContact O-N 3.35Å; K96-G98 PolarHBondContact O-N 2.78Å; G98-K100 VanDerWaalsContact C-N 3.3Å; G98-K100 PolarHBondContact O-N 2.91Å |
| 99 | R | 96.3 | Very high | 96.3 | Very high | 250 Ų | 250 | 89.3 Ų | 89.3 | 94% | 0.943 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | -25.6 | 176.1 | -170.9 | 174 | 178.9 | 179 | -0 | 112.6 | G101 | R99-G101 PolarHBondContact O-N 3.21Å |
| 100 | K | 97.7 | Very high | 96.4 | Very high | 137 Ų | 137 | 87.1 Ų | 87.1 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 109.7 | 179.9 | -62.3 | 178 | -170.8 | 164.6 | 0 | 110.3 | E86 G98 | E86-K100 HydrophobicContact CB-CB 4.12Å; E86-K100 PolarHBondContact N-O 2.93Å; E86-K100 IonicContact OE1-NZ 3.32Å; E86-K100 PolarHBondContact OE1-NZ 3.37Å; G98-K100 VanDerWaalsContact C-N 3.3Å; G98-K100 PolarHBondContact O-N 2.91Å |
| 101 | G | 97.1 | Very high | 96.6 | Very high | 43 Ų | 43 | 90.4 Ų | 90.4 | 44% | 0.443 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | 170 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I84 R99 | I84-G101 CarbonylContact O-C 3.54Å; I84-G101 WeakPolarHBondContact O-CA 3.45Å; R99-G101 PolarHBondContact O-N 3.21Å |
| 102 | I | 98 | Very high | 96.6 | Very high | 97 Ų | 97 | 84.1 Ų | 84.1 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.8 | 179.2 | -170.9 | 165.7 | 0 | 0 | 0 | 109.7 | D83 I84 L104 | D83-I102 WeakPolarHBondContact CA-O 3.43Å; I84-I102 HydrophobicContact CB-CG2 4.3Å; I84-I102 PolarHBondContact N-O 2.91Å; I84-I102 PolarHBondContact O-N 3.04Å; I102-L104 HydrophobicContact CD1-CD2 3.76Å; I102-L104 HydrophobicContact CG1-CD2 3.88Å; I102-L104 HydrophobicContact CG2-CD2 4.29Å; I102-L104 HydrophobicContact CG2-CG 4.38Å |
| 103 | S | 97.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 81.8 Ų | 81.8 | 31% | 0.308 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 118.6 | 168.4 | -51.6 | 0 | 0 | 0 | 0 | 108.5 | D83 | D83-S103 PolarHBondContact OD2-OG 3.37Å |
| 104 | L | 98.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 86.7 Ų | 86.7 | 9% | 0.094 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 142.6 | 177 | -56.6 | 177 | 0 | 0 | 0 | 109.6 | L81 I82 I84 I102 Q108 W109 L112 | L81-L104 WeakPolarHBondContact CA-O 3.41Å; I82-L104 HydrophobicContact CB-CB 4.5Å; I82-L104 PolarHBondContact N-O 3.34Å; I82-L104 PolarHBondContact O-N 2.78Å; I84-L104 HydrophobicContact CD1-CD1 4.06Å; I102-L104 HydrophobicContact CD1-CD2 3.76Å; I102-L104 HydrophobicContact CG1-CD2 3.88Å; I102-L104 HydrophobicContact CG2-CD2 4.29Å; I102-L104 HydrophobicContact CG2-CG 4.38Å; L104-Q108 HydrophobicContact CB-CB 4.16Å; L104-Q108 HydrophobicContact CD2-CB 4.19Å; L104-W109 HydrophobicContact CD1-CE3 4.14Å; L104-L112 HydrophobicContact CD1-CD2 4.09Å |
| 105 | N | 97.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 86.3 Ų | 86.3 | 28% | 0.283 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 169.2 | 164.3 | 72.3 | 7.8 | 0 | 0 | 0 | 110 | E107 Q108 W109 | N105-E107 PolarHBondContact O-N 3.49Å; N105-E107 PolarHBondContact OD1-N 2.91Å; N105-Q108 PolarHBondContact O-N 2.92Å; N105-Q108 WeakPolarHBondContact OD1-CB 3.41Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.4Å; N105-Q108 PolarHBondContact OD1-N 2.94Å; N105-Q108 PolarHBondContact OD1-OE1 2.77Å; N105-W109 PolarHBondContact O-N 2.88Å |
| 106 | P | 97.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 86.2 Ų | 86.2 | 40% | 0.396 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -31.3 | -178.6 | -26.5 | 37.2 | 0 | 0 | 0 | 113.8 | V80 I82 N110 | V80-P106 HydrophobicContact CB-CG 4.17Å; V80-P106 HydrophobicContact CG1-CG 4.37Å; V80-P106 WeakPolarHBondContact O-CD 3.1Å; I82-P106 HydrophobicContact CD1-CG 4.38Å; P106-N110 VanDerWaalsContact O-CG 3.28Å; P106-N110 PolarHBondContact O-N 2.59Å; P106-N110 PolarHBondContact O-ND2 3.02Å |
| 107 | E | 97.9 | Very high | 97.6 | Very high | 126 Ų | 126 | 86.4 Ų | 86.4 | 59% | 0.589 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.5 | -50.6 | 177.3 | -177.2 | -179.2 | -174.6 | 0 | 0 | 111.7 | N105 W109 N110 Q111 | N105-E107 PolarHBondContact O-N 3.49Å; N105-E107 PolarHBondContact OD1-N 2.91Å; E107-W109 VanDerWaalsContact C-N 3.28Å; E107-W109 PolarHBondContact O-N 2.78Å; E107-N110 PolarHBondContact O-N 2.79Å; E107-N110 VanDerWaalsContact O-N 3.13Å; E107-Q111 PolarHBondContact O-N 2.79Å |
| 108 | Q | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 88.1 Ų | 88.1 | 42% | 0.416 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 175 | -71.4 | 164.4 | -20.2 | 0 | 0 | 111.5 | L104 N105 N110 Q111 L112 | L104-Q108 HydrophobicContact CB-CB 4.16Å; L104-Q108 HydrophobicContact CD2-CB 4.19Å; N105-Q108 PolarHBondContact O-N 2.92Å; N105-Q108 WeakPolarHBondContact OD1-CB 3.41Å; N105-Q108 WeakPolarHBondContact OD1-CG 3.4Å; N105-Q108 PolarHBondContact OD1-N 2.94Å; N105-Q108 PolarHBondContact OD1-OE1 2.77Å; Q108-N110 VanDerWaalsContact C-N 3.35Å; Q108-Q111 PolarHBondContact O-N 2.9Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 PolarHBondContact O-N 2.85Å |
| 109 | W | 98.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 31% | 0.307 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.6 | 177.2 | -111.6 | 0 | 0 | 0 | 112.3 | I82 I84 L104 N105 E107 L112 K113 | I82-W109 HydrophobicContact CD1-CB 3.87Å; I82-W109 HydrophobicContact CD1-CG 4.19Å; I82-W109 HydrophobicContact CG1-CB 4.24Å; I82-W109 HydrophobicContact CG1-CD2 4.42Å; I82-W109 HydrophobicContact CG1-CG 4.11Å; I82-W109 HydrophobicContact CG2-CD2 4.19Å; I82-W109 HydrophobicContact CG2-CE3 3.97Å; I82-W109 HydrophobicContact CG2-CZ3 4.28Å; I84-W109 HydrophobicContact CD1-CZ3 4.31Å; L104-W109 HydrophobicContact CD1-CE3 4.14Å; N105-W109 PolarHBondContact O-N 2.88Å; E107-W109 VanDerWaalsContact C-N 3.28Å; E107-W109 PolarHBondContact O-N 2.78Å; W109-L112 HydrophobicContact CE3-CD2 3.98Å; W109-L112 HydrophobicContact CZ3-CD2 3.88Å; W109-L112 PolarHBondContact O-N 3.26Å; W109-K113 HydrophobicContact CZ2-CD 4.49Å; W109-K113 HydrophobicContact CZ2-CG 4.48Å; W109-K113 WeakPolarHBondContact O-CG 3.38Å; W109-K113 PolarHBondContact O-N 2.81Å; W109-K113 VanDerWaalsContact O-N 3.09Å |
| 110 | N | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 82.3 Ų | 82.3 | 38% | 0.38 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 175.5 | -72.5 | -27.6 | 0 | 0 | 0 | 112.1 | P106 E107 Q108 L112 K113 E114 | P106-N110 VanDerWaalsContact O-CG 3.28Å; P106-N110 PolarHBondContact O-N 2.59Å; P106-N110 PolarHBondContact O-ND2 3.02Å; E107-N110 PolarHBondContact O-N 2.79Å; E107-N110 VanDerWaalsContact O-N 3.13Å; Q108-N110 VanDerWaalsContact C-N 3.35Å; N110-L112 VanDerWaalsContact C-N 3.29Å; N110-L112 PolarHBondContact O-N 3.28Å; N110-K113 WeakPolarHBondContact O-CB 3.47Å; N110-K113 PolarHBondContact O-N 3.36Å; N110-K113 VanDerWaalsContact O-N 3.08Å; N110-K113 WeakPolarHBondContact OD1-CE 3.47Å; N110-K113 PolarHBondContact OD1-NZ 2.81Å; N110-E114 WeakPolarHBondContact O-CG 3.46Å; N110-E114 PolarHBondContact O-N 3.32Å |
| 111 | Q | 98.2 | Very high | 97.9 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.3 | -37.3 | 175.1 | -69.6 | -178.2 | 21.6 | 0 | 0 | 112.5 | E107 Q108 K113 E114 Q115 | E107-Q111 PolarHBondContact O-N 2.79Å; Q108-Q111 PolarHBondContact O-N 2.9Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; Q111-E114 PolarHBondContact O-N 2.85Å; Q111-Q115 PolarHBondContact O-N 2.81Å |
| 112 | L | 98 | Very high | 98 | Very high | 60 Ų | 60 | 79 Ų | 79 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 173.5 | 177.8 | 62.4 | 0 | 0 | 0 | 110.8 | L104 Q108 W109 N110 Q115 I116 I119 | L104-L112 HydrophobicContact CD1-CD2 4.09Å; Q108-L112 WeakPolarHBondContact O-CB 3.42Å; Q108-L112 PolarHBondContact O-N 2.85Å; W109-L112 HydrophobicContact CE3-CD2 3.98Å; W109-L112 HydrophobicContact CZ3-CD2 3.88Å; W109-L112 PolarHBondContact O-N 3.26Å; N110-L112 VanDerWaalsContact C-N 3.29Å; N110-L112 PolarHBondContact O-N 3.28Å; L112-Q115 PolarHBondContact O-N 3.15Å; L112-I116 WeakPolarHBondContact O-CG1 3.22Å; L112-I116 PolarHBondContact O-N 2.73Å; L112-I119 HydrophobicContact CD1-CD1 3.99Å |
| 113 | K | 98.1 | Very high | 97.9 | Very high | 95 Ų | 95 | 78.8 Ų | 78.8 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 177.7 | -73.4 | -175.7 | -64.7 | 168.1 | 0 | 112.9 | W109 N110 Q111 Q115 I116 | W109-K113 HydrophobicContact CZ2-CD 4.49Å; W109-K113 HydrophobicContact CZ2-CG 4.48Å; W109-K113 WeakPolarHBondContact O-CG 3.38Å; W109-K113 PolarHBondContact O-N 2.81Å; W109-K113 VanDerWaalsContact O-N 3.09Å; N110-K113 WeakPolarHBondContact O-CB 3.47Å; N110-K113 PolarHBondContact O-N 3.36Å; N110-K113 VanDerWaalsContact O-N 3.08Å; N110-K113 WeakPolarHBondContact OD1-CE 3.47Å; N110-K113 PolarHBondContact OD1-NZ 2.81Å; Q111-K113 VanDerWaalsContact C-N 3.34Å; K113-Q115 PolarHBondContact O-N 3.07Å; K113-I116 HydrophobicContact CB-CD1 4.27Å; K113-I116 HydrophobicContact CG-CD1 4.21Å; K113-I116 WeakPolarHBondContact O-CB 3.32Å; K113-I116 PolarHBondContact O-N 2.94Å |
| 114 | E | 98.2 | Very high | 97.9 | Very high | 152 Ų | 152 | 84.9 Ų | 84.9 | 71% | 0.71 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -61.4 | -33.6 | 177.3 | -72.5 | 170.9 | -173.8 | 0 | 0 | 111.9 | N110 Q111 | N110-E114 WeakPolarHBondContact O-CG 3.46Å; N110-E114 PolarHBondContact O-N 3.32Å; Q111-E114 PolarHBondContact O-N 2.85Å |
| 115 | Q | 97.9 | Very high | 97.9 | Very high | 103 Ų | 103 | 92.2 Ų | 92.2 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -3.4 | 178.1 | -70.6 | -178.5 | 73.5 | 0 | 0 | 114.4 | Q111 L112 K113 S117 D118 I119 | Q111-Q115 PolarHBondContact O-N 2.81Å; L112-Q115 PolarHBondContact O-N 3.15Å; K113-Q115 PolarHBondContact O-N 3.07Å; Q115-S117 VanDerWaalsContact C-N 3.26Å; Q115-S117 PolarHBondContact O-N 3.48Å; Q115-D118 PolarHBondContact O-N 2.84Å; Q115-D118 VanDerWaalsContact O-N 3.16Å; Q115-I119 HydrophobicContact CB-CD1 4.08Å; Q115-I119 HydrophobicContact CB-CG1 4.47Å; Q115-I119 VanDerWaalsContact O-CG1 3.27Å; Q115-I119 WeakPolarHBondContact O-CG1 3.46Å; Q115-I119 PolarHBondContact O-N 3.49Å |
| 116 | I | 98.1 | Very high | 97.6 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55.9 | -41.3 | -177 | -74.8 | 172.9 | 0 | 0 | 0 | 111.5 | L112 K113 D118 I119 D120 | L112-I116 WeakPolarHBondContact O-CG1 3.22Å; L112-I116 PolarHBondContact O-N 2.73Å; K113-I116 HydrophobicContact CB-CD1 4.27Å; K113-I116 HydrophobicContact CG-CD1 4.21Å; K113-I116 WeakPolarHBondContact O-CB 3.32Å; K113-I116 PolarHBondContact O-N 2.94Å; I116-D118 PolarHBondContact O-N 2.97Å; I116-I119 PolarHBondContact O-N 2.86Å; I116-D120 WeakPolarHBondContact O-CB 3.5Å; I116-D120 VanDerWaalsContact O-CG 3.32Å; I116-D120 PolarHBondContact O-N 3.21Å |
| 117 | S | 97.4 | Very high | 97.6 | Very high | 74 Ų | 74 | 101.6 Ų | 101.6 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 179.8 | -170.9 | 0 | 0 | 0 | 0 | 112 | Q115 I119 D120 D121 | Q115-S117 VanDerWaalsContact C-N 3.26Å; Q115-S117 PolarHBondContact O-N 3.48Å; S117-I119 VanDerWaalsContact C-N 3.34Å; S117-D120 PolarHBondContact O-N 3.05Å; S117-D121 PolarHBondContact O-N 3.4Å |
| 118 | D | 98 | Very high | 97.6 | Very high | 111 Ų | 111 | 100.3 Ų | 100.3 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -37.1 | 179.6 | -64.6 | -23.9 | 0 | 0 | 0 | 111.3 | Q115 I116 D121 A122 | Q115-D118 PolarHBondContact O-N 2.84Å; Q115-D118 VanDerWaalsContact O-N 3.16Å; I116-D118 PolarHBondContact O-N 2.97Å; D118-D121 PolarHBondContact O-N 2.9Å; D118-A122 WeakPolarHBondContact O-CB 3.48Å; D118-A122 PolarHBondContact O-N 2.74Å |
| 119 | I | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 100.9 Ų | 100.9 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 174 | -68.4 | 165.7 | 0 | 0 | 0 | 110.2 | L112 Q115 I116 S117 D121 A122 V123 | L112-I119 HydrophobicContact CD1-CD1 3.99Å; Q115-I119 HydrophobicContact CB-CD1 4.08Å; Q115-I119 HydrophobicContact CB-CG1 4.47Å; Q115-I119 VanDerWaalsContact O-CG1 3.27Å; Q115-I119 WeakPolarHBondContact O-CG1 3.46Å; Q115-I119 PolarHBondContact O-N 3.49Å; I116-I119 PolarHBondContact O-N 2.86Å; S117-I119 VanDerWaalsContact C-N 3.34Å; I119-D121 VanDerWaalsContact C-N 3.34Å; I119-D121 PolarHBondContact O-N 3.17Å; I119-A122 WeakPolarHBondContact O-CB 3.37Å; I119-A122 PolarHBondContact O-N 2.62Å; I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 2.96Å; I119-V123 PolarHBondContact O-N 3.24Å |
| 120 | D | 98.3 | Very high | 97.6 | Very high | 73 Ų | 73 | 102.1 Ų | 102.1 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 179.1 | -76.2 | -15.9 | 0 | 0 | 0 | 111.5 | I116 S117 A122 V123 R124 | I116-D120 WeakPolarHBondContact O-CB 3.5Å; I116-D120 VanDerWaalsContact O-CG 3.32Å; I116-D120 PolarHBondContact O-N 3.21Å; S117-D120 PolarHBondContact O-N 3.05Å; D120-A122 VanDerWaalsContact C-N 3.33Å; D120-V123 PolarHBondContact O-N 3.22Å; D120-R124 WeakPolarHBondContact O-CG 3.1Å; D120-R124 PolarHBondContact O-N 3.43Å |
| 121 | D | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 104.1 Ų | 104.1 | 33% | 0.326 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 174.4 | -78.2 | -4.7 | 0 | 0 | 0 | 112.1 | S117 D118 I119 R124 K125 | S117-D121 PolarHBondContact O-N 3.4Å; D118-D121 PolarHBondContact O-N 2.9Å; I119-D121 VanDerWaalsContact C-N 3.34Å; I119-D121 PolarHBondContact O-N 3.17Å; D121-R124 IonicContact OD1-CZ 3.49Å; D121-R124 IonicContact OD1-NH1 2.67Å; D121-R124 PolarHBondContact OD1-NH1 3.18Å; D121-R124 IonicContact OD1-NH2 3.7Å; D121-K125 WeakPolarHBondContact O-CD 3.44Å; D121-K125 VanDerWaalsContact O-CG 3.31Å; D121-K125 WeakPolarHBondContact O-CG 3.22Å; D121-K125 PolarHBondContact O-N 3.18Å |
| 122 | A | 98.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 104.9 Ų | 104.9 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D118 I119 D120 R124 K125 L126 | D118-A122 WeakPolarHBondContact O-CB 3.48Å; D118-A122 PolarHBondContact O-N 2.74Å; I119-A122 WeakPolarHBondContact O-CB 3.37Å; I119-A122 PolarHBondContact O-N 2.62Å; D120-A122 VanDerWaalsContact C-N 3.33Å; A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 3.22Å; A122-K125 PolarHBondContact O-N 3.12Å; A122-L126 PolarHBondContact O-N 2.99Å |
| 123 | V | 97.9 | Very high | 97.5 | Very high | 93 Ų | 93 | 108.1 Ų | 108.1 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | 176 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | I119 D120 K125 L126 | I119-V123 HydrophobicContact CG2-CG2 4.38Å; I119-V123 VanDerWaalsContact O-CG2 3.31Å; I119-V123 WeakPolarHBondContact O-CG2 2.96Å; I119-V123 PolarHBondContact O-N 3.24Å; D120-V123 PolarHBondContact O-N 3.22Å; V123-K125 PolarHBondContact O-N 3Å; V123-L126 PolarHBondContact O-N 2.89Å |
| 124 | R | 97.2 | Very high | 97.4 | Very high | 171 Ų | 171 | 109.1 Ų | 109.1 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.5 | -19.2 | 178.1 | -70.4 | -176.8 | -135.1 | 123.8 | 7 | 114.2 | D120 D121 A122 | D120-R124 WeakPolarHBondContact O-CG 3.1Å; D120-R124 PolarHBondContact O-N 3.43Å; D121-R124 IonicContact OD1-CZ 3.49Å; D121-R124 IonicContact OD1-NH1 2.67Å; D121-R124 PolarHBondContact OD1-NH1 3.18Å; D121-R124 IonicContact OD1-NH2 3.7Å; A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 3.22Å |
| 125 | K | 96.8 | Very high | 97.3 | Very high | 173 Ų | 173 | 105.5 Ų | 105.5 | 75% | 0.752 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -87.8 | -15.2 | 179.2 | -73 | 169.8 | -174.8 | 168.7 | 0 | 113.2 | D121 A122 V123 | D121-K125 WeakPolarHBondContact O-CD 3.44Å; D121-K125 VanDerWaalsContact O-CG 3.31Å; D121-K125 WeakPolarHBondContact O-CG 3.22Å; D121-K125 PolarHBondContact O-N 3.18Å; A122-K125 PolarHBondContact O-N 3.12Å; V123-K125 PolarHBondContact O-N 3Å |
| 126 | L | 92.4 | Very high | 97.3 | Very high | 209 Ų | 209 | 105.7 Ų | 105.7 | 100% | 1.094 | 55% | 0.55 | S | S | * | * | trans | -98.4 | 0 | 178 | -66.6 | 176.8 | 0 | 0 | 0 | 111.1 | A122 V123 | A122-L126 PolarHBondContact O-N 2.99Å; V123-L126 PolarHBondContact O-N 2.89Å |
Retrieved 126 of 126 residues in 288.9 ms
(Link to these results)