| 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 | 45.8 | Very low | 40.9 | Very low | 254 Ų | 254 | 138.6 Ų | 138.6 | 100% | 1.251 | 82% | 0.819 | S | S | * | * | 0 | 80.4 | 0 | -67.7 | 166.3 | 164 | 0 | 0 | 106.4 | |||||
| 2 | G | 38.2 | Very low | 40.7 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | 92.6 | 99.9 | 107.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 3 | L | 40.3 | Very low | 41.3 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | 44.4 | 136.6 | 87 | -64.2 | 171.8 | 0 | 0 | 0 | 112 | |||||
| 4 | S | 39.6 | Very low | 41.2 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | cis | 173.7 | 163.2 | -0.3 | 175.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 5 | G | 37.7 | Very low | 41 | Very low | 65 Ų | 65 | 138.1 Ų | 138.1 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | 100.3 | 112.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 6 | C | 38.5 | Very low | 40.5 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | cis | 69.6 | 118.7 | 30 | -115.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 7 | V | 43.5 | Very low | 40.4 | Very low | 124 Ų | 124 | 148.8 Ų | 148.8 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | 87.5 | 97.8 | 145.4 | -168.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 8 | A | 38.8 | Very low | 40.1 | Very low | 83 Ų | 83 | 152.6 Ų | 152.6 | 69% | 0.686 | 82% | 0.821 | S | S | * | * | 60.3 | 147.5 | 111.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 9 | R | 41.9 | Very low | 40 | Very low | 219 Ų | 219 | 150.3 Ų | 150.3 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | 102.9 | 146.3 | 139.2 | -67.4 | -174.5 | 178.1 | -143.1 | -2 | 120 | ||||
| 10 | L | 46.3 | Very low | 39.8 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | 88.3 | 110.2 | 152 | -67.8 | 126.9 | 0 | 0 | 0 | 116.1 | ||||
| 11 | L | 38.9 | Very low | 39.7 | Very low | 153 Ų | 153 | 148 Ų | 148 | 80% | 0.801 | 82% | 0.824 | S | S | * | * | 79.5 | 106.5 | 69.7 | -85.5 | 162.4 | 0 | 0 | 0 | 113.8 | |||||
| 12 | A | 39 | Very low | 39.1 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | 77.5 | 176.4 | 128.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 13 | P | 47.9 | Very low | 39.1 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -118.4 | 162.3 | -105.9 | 21.7 | 1.2 | 0 | 0 | 0 | 113 | M15 | P13-M15 PolarHBondContact O-N 3.34Š| |||
| 14 | L | 40.9 | Very low | 39 | Very low | 185 Ų | 185 | 140 Ų | 140 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 93.8 | 174.3 | -78.9 | 150.6 | 0 | 0 | 0 | 110.6 | ||||
| 15 | M | 38 | Very low | 38.7 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -73.4 | 119.1 | 159.4 | -93.2 | -157.6 | -84 | 0 | 0 | 109.6 | P13 | P13-M15 PolarHBondContact O-N 3.34Š| ||
| 16 | W | 33.5 | Very low | 38.3 | Very low | 254 Ų | 254 | 141.6 Ų | 141.6 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 109.5 | 161.2 | -169.5 | -89.5 | 0 | 0 | 0 | 108.7 | ||||
| 17 | R | 37.8 | Very low | 38.2 | Very low | 204 Ų | 204 | 140.1 Ų | 140.1 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -128.7 | 142.2 | 166.3 | -92.8 | -168.8 | 180 | -96.2 | 2.8 | 110.4 | ||||
| 18 | R | 35.6 | Very low | 37.8 | Very low | 217 Ų | 217 | 141.4 Ų | 141.4 | 82% | 0.819 | 81% | 0.813 | S | S | * | * | trans | 84.8 | 116.1 | 155.6 | -80.4 | -178.2 | 166.6 | -161.7 | -2.9 | 118.9 | ||||
| 19 | A | 37 | Very low | 37.6 | Very low | 108 Ų | 108 | 141 Ų | 141 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | -133.8 | 115.2 | 120.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 20 | V | 37.2 | Very low | 37.2 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | trans | -102.5 | 135.1 | 160.2 | 160.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 21 | S | 37.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -125.6 | 138.7 | 160.2 | -136.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 22 | S | 32.5 | Very low | 37.5 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | trans | -121.8 | 128.9 | -165.4 | 152.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 23 | V | 39.4 | Very low | 37.3 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -145.6 | 131.2 | 151.5 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 24 | A | 37.8 | Very low | 36.9 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -16.2 | 153.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 25 | G | 32.8 | Very low | 36.9 | Very low | 72 Ų | 72 | 136.5 Ų | 136.5 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | cis | 120.6 | 114.2 | 18 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 26 | C | 29.8 | Very low | 37.1 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 97% | 0.966 | 82% | 0.816 | S | S | * | * | trans | -159.2 | 136.8 | 158.1 | -114.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 27 | A | 35.9 | Very low | 37.4 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -110.1 | -172.8 | -161.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 28 | V | 35.7 | Very low | 37.3 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 92% | 0.915 | 81% | 0.808 | S | S | * | * | trans | 93.2 | 111.6 | 168.4 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 29 | G | 33.4 | Very low | 37.7 | Very low | 75 Ų | 75 | 124.4 Ų | 124.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | 136.1 | 148.9 | 46.5 | 0 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 30 | A | 33.2 | Very low | 37.8 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | cis | -165 | 150.3 | 23.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 31 | E | 37.8 | Very low | 37.8 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -77.4 | 157.3 | 160.8 | -78.4 | -79.9 | 118.3 | 0 | 0 | 108.8 | ||||
| 32 | P | 55.4 | Low | 38 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -154 | 164.9 | 58.8 | 38.8 | -16.9 | 0 | 0 | 0 | 118.7 | |||||
| 33 | G | 34.8 | Very low | 38.9 | Very low | 55 Ų | 55 | 137.3 Ų | 137.3 | 57% | 0.567 | 82% | 0.824 | S | S | * | * | 112.9 | 107.6 | 122.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 34 | L | 39.4 | Very low | 39.1 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | trans | 45.6 | 122.4 | 140.3 | -89 | 88.3 | 0 | 0 | 0 | 119.3 | ||||
| 35 | Q | 41 | Very low | 39 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | -176.8 | 143.6 | 90.4 | -88.1 | -151.6 | 8.1 | 0 | 0 | 112.8 | |||||
| 36 | L | 41 | Very low | 39.3 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 82% | 0.817 | 83% | 0.832 | S | S | * | * | trans | -86.7 | 133.5 | 171.1 | -152.4 | 94.8 | 0 | 0 | 0 | 108.1 | ||||
| 37 | L | 40.7 | Very low | 39.9 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | 168.1 | 150 | 133.4 | -98.3 | 147.5 | 0 | 0 | 0 | 114.8 | ||||
| 38 | A | 35.1 | Very low | 39.9 | Very low | 85 Ų | 85 | 140.5 Ų | 140.5 | 70% | 0.702 | 83% | 0.827 | S | S | * | * | trans | 94.4 | 101.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 39 | M | 43.8 | Very low | 39.7 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -46.8 | 147.9 | 143.7 | -65.4 | -161.5 | 134.1 | 0 | 0 | 112.4 | ||||
| 40 | Q | 40.1 | Very low | 39.9 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | -172.6 | 163.5 | 127.7 | -101.1 | 162.8 | 71.5 | 0 | 0 | 113.7 | |||||
| 41 | R | 36.8 | Very low | 40.2 | Very low | 240 Ų | 240 | 146.2 Ų | 146.2 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | trans | -83.2 | 162 | -155 | -72.7 | 167 | 157.1 | 170 | -7 | 115.5 | ||||
| 42 | L | 41.8 | Very low | 40.1 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -41.8 | 157.6 | 159.8 | -74.7 | 148.8 | 0 | 0 | 0 | 114.6 | ||||
| 43 | P | 51.8 | Low | 39.3 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | -136.5 | 161.7 | 117.2 | 36.7 | -24.3 | 0 | 0 | 0 | 116 | |||||
| 44 | V | 43.4 | Very low | 39.2 | Very low | 148 Ų | 148 | 148 Ų | 148 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -59.2 | 147.3 | 172.3 | 167.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 45 | G | 35 | Very low | 40.1 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | -175.4 | 95.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 46 | A | 39.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -77.1 | 141.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 47 | A | 41.7 | Very low | 39.8 | Very low | 101 Ų | 101 | 146 Ų | 146 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -155.2 | 110.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 48 | F | 36.7 | Very low | 39.8 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -57.8 | 142.7 | 162.3 | -127.3 | -109.6 | 0 | 0 | 0 | 110.6 | R50 | F48-R50 HydrophobicContact CD1-CB 4.26Å; F48-R50 HydrophobicContact CE1-CB 4.37Å | ||
| 49 | C | 31.7 | Very low | 39.9 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 97% | 0.966 | 82% | 0.819 | S | S | * | * | trans | -141.5 | 116.3 | 150.5 | -101.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | R | 38 | Very low | 39.3 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -114.5 | 133.5 | 179.8 | -159.8 | -172.7 | -153.6 | -157.3 | 5.5 | 107.3 | F48 | F48-R50 HydrophobicContact CD1-CB 4.26Å; F48-R50 HydrophobicContact CE1-CB 4.37Å | ||
| 51 | A | 38.9 | Very low | 39.3 | Very low | 89 Ų | 89 | 141.9 Ų | 141.9 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | 62.3 | 133 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 52 | C | 35.2 | Very low | 39.3 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | 179.3 | 110.2 | 119.5 | -84.4 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 53 | Q | 37.9 | Very low | 39 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 109.2 | 108.4 | 80.4 | -88.6 | 173.8 | 32 | 0 | 0 | 110.8 | |||||
| 54 | T | 34.3 | Very low | 38.4 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | 28.8 | 172.5 | 126.9 | 59.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 55 | P | 58.3 | Low | 38.5 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | cis | -134 | 178 | -36.6 | 32.1 | -13.2 | 0 | 0 | 0 | 111.9 | ||||
| 56 | N | 40.8 | Very low | 38.3 | Very low | 174 Ų | 174 | 136 Ų | 136 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -157 | 139.2 | 134.3 | -99.3 | -34.5 | 0 | 0 | 0 | 112.6 | ||||
| 57 | F | 33.5 | Very low | 38 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -121.1 | 164.2 | -165.4 | 168.3 | -113.5 | 0 | 0 | 0 | 108.1 | ||||
| 58 | V | 41.8 | Very low | 37.8 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | 93.1 | 137.2 | 165.8 | -168.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 59 | R | 37.8 | Very low | 37.8 | Very low | 221 Ų | 221 | 141.2 Ų | 141.2 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | cis | 173 | 152.5 | -18.1 | -169 | 179.4 | -169 | -175.5 | 3 | 106.8 | ||||
| 60 | G | 30.1 | Very low | 37.9 | Very low | 65 Ų | 65 | 144.9 Ų | 144.9 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | 137.9 | 93.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 61 | L | 40.7 | Very low | 37.8 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | 59.3 | 109.9 | 79.9 | -73.1 | 168.2 | 0 | 0 | 0 | 114.6 | |||||
| 62 | H | 36.3 | Very low | 37.7 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | -170.2 | 145.4 | 113.3 | -110.8 | -92.7 | 0 | 0 | 0 | 111.8 | |||||
| 63 | S | 35.1 | Very low | 37.8 | Very low | 95 Ų | 95 | 148.9 Ų | 148.9 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -73.2 | 168.3 | -167.9 | -43.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 64 | E | 38.8 | Very low | 37.8 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | -176.6 | 165.8 | 128.8 | -94.6 | -42.7 | 85.8 | 0 | 0 | 110.9 | |||||
| 65 | P | 46.6 | Very low | 38.1 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -127.6 | 173.6 | -137.9 | 39.1 | -21.1 | 0 | 0 | 0 | 116.3 | ||||
| 66 | G | 31.1 | Very low | 37.1 | Very low | 65 Ų | 65 | 149.6 Ų | 149.6 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 121.7 | 131.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 67 | L | 33.7 | Very low | 37 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | 65.1 | 143.6 | 146.1 | -99.8 | 83.7 | 0 | 0 | 0 | 118.5 | ||||
| 68 | E | 35.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -161.7 | 166.7 | 16.8 | -152.2 | 172.8 | 155.8 | 0 | 0 | 110.8 | ||||
| 69 | E | 36.8 | Very low | 36.5 | Very low | 160 Ų | 160 | 150.6 Ų | 150.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 157.3 | -174.3 | -171.8 | -176.4 | 107.8 | 0 | 0 | 115.9 | ||||
| 70 | R | 34.2 | Very low | 36.7 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | 152.8 | 123.5 | 110.7 | -163.8 | 156.3 | -176.4 | 180 | 4.2 | 118.1 | |||||
| 71 | A | 36.4 | Very low | 37.5 | Very low | 76 Ų | 76 | 151 Ų | 151 | 63% | 0.628 | 79% | 0.788 | S | S | * | * | trans | 80.7 | 100.8 | 139 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 72 | E | 37.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | 28.5 | 132.6 | 110.1 | -65.3 | 177 | 132.7 | 0 | 0 | 123.8 | |||||
| 73 | R | 36.2 | Very low | 38.1 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | -178.7 | 120.7 | 116.9 | -93.4 | -178.8 | -153.2 | -158.4 | 4.2 | 107.7 | |||||
| 74 | T | 39 | Very low | 38.5 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | 67.9 | 104.5 | 57.3 | 69 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 75 | V | 40.4 | Very low | 38.7 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -169.1 | 108.2 | 136 | -174.4 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 76 | D | 37.4 | Very low | 38.8 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | 74 | 138.1 | 55 | -158.6 | 38.2 | 0 | 0 | 0 | 116.8 | |||||
| 77 | E | 37.2 | Very low | 39.8 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | 86.2 | 122.6 | -179.3 | -57.9 | -147 | 125.5 | 0 | 0 | 118.1 | ||||
| 78 | G | 29.8 | Very low | 40.7 | Very low | 76 Ų | 76 | 146.1 Ų | 146.1 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | cis | -156 | 124.1 | 3.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 79 | R | 35.6 | Very low | 41.7 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -95 | 125.4 | 170.4 | -176 | 175.3 | -170 | 166 | 2.2 | 106 | E81 | R79-E81 PolarHBondContact O-N 2.73Š| ||
| 80 | P | 43.3 | Very low | 42.9 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | trans | -64.4 | 117 | 174.3 | 25.8 | -29.1 | 0 | 0 | 0 | 107.5 | S82 | P80-S82 PolarHBondContact O-N 3.04Å; P80-S82 VanDerWaalsContact O-N 3.11Å | ||
| 81 | E | 45.8 | Very low | 45 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -64.8 | 102.6 | 172.8 | -60 | -179.1 | 145.7 | 0 | 0 | 107 | R79 D83 | R79-E81 PolarHBondContact O-N 2.73Å; E81-D83 PolarHBondContact O-N 2.71Å | ||
| 82 | S | 44.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -79.4 | 95.7 | 166 | 60.9 | 0 | 0 | 0 | 0 | 106.9 | P80 A84 | P80-S82 PolarHBondContact O-N 3.04Å; P80-S82 VanDerWaalsContact O-N 3.11Å; S82-A84 PolarHBondContact O-N 3.2Å | ||
| 83 | D | 45.2 | Very low | 49.9 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | -45.2 | 131.7 | 176.4 | -74.7 | -54 | 0 | 0 | 0 | 112.3 | E81 A85 | E81-D83 PolarHBondContact O-N 2.71Å; D83-A85 PolarHBondContact O-N 3.12Å; D83-A85 VanDerWaalsContact O-N 3.14Å | ||
| 84 | A | 43.9 | Very low | 52.6 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 87% | 0.868 | 67% | 0.667 | S | S | * | * | trans | -62.7 | 108.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S82 | S82-A84 PolarHBondContact O-N 3.2Š| ||
| 85 | A | 42.6 | Very low | 55.1 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 59% | 0.587 | 66% | 0.663 | S | S | * | * | trans | -116.1 | 88.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | D83 H87 | D83-A85 PolarHBondContact O-N 3.12Å; D83-A85 VanDerWaalsContact O-N 3.14Å; A85-H87 PolarHBondContact O-N 3.23Å | ||
| 86 | D | 49.2 | Very low | 57.6 | Low | 130 Ų | 130 | 111.3 Ų | 111.3 | 70% | 0.695 | 63% | 0.634 | S | S | * | * | trans | -62.5 | 99.9 | 166.6 | 178.2 | 10.2 | 0 | 0 | 0 | 109.1 | T88 | D86-T88 PolarHBondContact OD1-N 3.24Å; D86-T88 PolarHBondContact OD1-OG1 3.37Å | ||
| 87 | H | 51.2 | Low | 60.3 | Low | 125 Ų | 125 | 104.4 Ų | 104.4 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | trans | -113.9 | 82.8 | 163.3 | -64.4 | -59.3 | 0 | 0 | 0 | 107.2 | A85 G89 | A85-H87 PolarHBondContact O-N 3.23Å; H87-G89 PolarHBondContact O-N 3.27Å | ||
| 88 | T | 52.3 | Low | 63 | Low | 136 Ų | 136 | 97 Ų | 97 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | trans | -62.3 | 77.5 | 173 | -69.2 | 0 | 0 | 0 | 0 | 111.2 | D86 | D86-T88 PolarHBondContact OD1-N 3.24Å; D86-T88 PolarHBondContact OD1-OG1 3.37Å | ||
| 89 | G | 57.9 | Low | 66.1 | Low | 45 Ų | 45 | 96.9 Ų | 96.9 | 46% | 0.464 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -153.2 | 150.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | H87 K91 | H87-G89 PolarHBondContact O-N 3.27Å; G89-K91 VanDerWaalsContact C-N 3.28Å; G89-K91 PolarHBondContact O-N 3.3Å |
| 90 | P | 62.4 | Low | 69 | Low | 99 Ų | 99 | 86.4 Ų | 86.4 | 64% | 0.643 | 51% | 0.513 | S | S | * | . | trans | -67 | 90 | 177.9 | 26.2 | -31.3 | 0 | 0 | 0 | 109.4 | ||||
| 91 | K | 76.7 | Confident | 71.4 | Confident | 115 Ų | 115 | 80.6 Ų | 80.6 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | trans | -77.8 | 150.9 | 167.4 | -98.4 | 178.9 | 175.2 | 178.4 | 0 | 109 | G89 D93 I96 | G89-K91 VanDerWaalsContact C-N 3.28Å; G89-K91 PolarHBondContact O-N 3.3Å; K91-D93 PolarHBondContact O-N 3.03Å; K91-D93 VanDerWaalsContact O-N 3.09Å; K91-I96 VanDerWaalsContact O-CD1 3.26Å; K91-I96 WeakPolarHBondContact O-CD1 3.07Å | ||
| 92 | F | 86.4 | Confident | 73.8 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 10% | 0.101 | 47% | 0.466 | C | S | . | . | trans | -81.5 | 88.5 | 178.1 | -173.1 | -111.5 | 0 | 0 | 0 | 109.1 | I96 M97 L100 I142 Y146 L149 F172 M175 | F92-I96 HydrophobicContact CD2-CG2 4.21Å; F92-I96 HydrophobicContact CE2-CG2 4.18Å; F92-M97 HydrophobicContact CD1-CE 4.45Å; F92-M97 HydrophobicContact CE1-CE 3.24Å; F92-M97 HydrophobicContact CZ-CE 3.28Å; F92-M97 HydrophobicContact CZ-SD 4.06Å; F92-L100 HydrophobicContact CE2-CD1 3.98Å; F92-L100 HydrophobicContact CZ-CD1 4.48Å; F92-I142 HydrophobicContact CZ-CG2 4.22Å; F92-Y146 HydrophobicContact CB-CD2 4.07Å; F92-Y146 HydrophobicContact CB-CE2 4.17Å; F92-Y146 AromaticContact CD1-CD2 3.45Å; F92-Y146 HydrophobicContact CD1-CD2 3.45Å; F92-Y146 VanDerWaalsContact CD1-CD2 3.45Å; F92-Y146 AromaticContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD2-CD2 4.08Å; F92-Y146 AromaticContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CE2 4.44Å; F92-Y146 HydrophobicContact CE2-CD2 4.38Å; F92-Y146 AromaticContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CE2 4.12Å; F92-Y146 HydrophobicContact CZ-CD2 4.23Å; F92-L149 HydrophobicContact CD2-CD1 3.99Å; F92-L149 HydrophobicContact CE2-CD1 4.47Å; F92-F172 HydrophobicContact CD1-CD1 4.15Å; F92-F172 HydrophobicContact CD1-CG 4.49Å; F92-F172 AromaticContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD2 4.4Å; F92-F172 AromaticContact CE1-CE1 3.73Å; F92-F172 HydrophobicContact CE1-CE1 3.73Å; F92-F172 AromaticContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CZ 4.23Å; F92-F172 HydrophobicContact CZ-CD1 4.39Å; F92-F172 HydrophobicContact CZ-CE1 4.1Å; F92-F172 HydrophobicContact CZ-CZ 4.46Å; F92-M175 HydrophobicContact CD1-CE 3.17Å; F92-M175 HydrophobicContact CE1-CE 3.21Å; F92-M175 HydrophobicContact CG-CE 4.15Å; F92-M175 HydrophobicContact CZ-CE 4.17Å; F92-M175 WeakPolarHBondContact O-CE 3.28Å | ||
| 93 | D | 90.6 | Very high | 76.2 | Confident | 90 Ų | 90 | 80 Ų | 80 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | trans | -93.7 | 168.4 | -176.9 | -63 | -34.9 | 0 | 0 | 0 | 112.8 | K91 D95 I96 M97 | K91-D93 PolarHBondContact O-N 3.03Å; K91-D93 VanDerWaalsContact O-N 3.09Å; D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 2.67Å; D93-I96 WeakPolarHBondContact O-CB 3.37Å; D93-I96 PolarHBondContact O-N 3.22Å; D93-M97 PolarHBondContact O-N 3.29Å; D93-M97 VanDerWaalsContact O-N 3.1Å | ||
| 94 | I | 92.6 | Very high | 78.6 | Confident | 35 Ų | 35 | 75.5 Ų | 75.5 | 18% | 0.179 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.9 | -33.8 | 179.7 | -165.8 | 166.8 | 0 | 0 | 0 | 113.4 | I96 M97 V98 V111 Y123 | I94-I96 VanDerWaalsContact C-N 3.3Å; I94-I96 PolarHBondContact O-N 3.22Å; I94-M97 WeakPolarHBondContact O-CA 3.12Å; I94-M97 VanDerWaalsContact O-CB 3.29Å; I94-M97 WeakPolarHBondContact O-CB 3.36Å; I94-M97 PolarHBondContact O-N 3.1Å; I94-M97 VanDerWaalsContact O-N 3.12Å; I94-V98 HydrophobicContact CG1-CG2 4.41Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 2.86Å; I94-V111 HydrophobicContact CD1-CG1 3.44Å; I94-V111 VanDerWaalsContact CD1-CG1 3.44Å; I94-Y123 HydrophobicContact CD1-CD1 3.38Å; I94-Y123 HydrophobicContact CD1-CD2 4.15Å; I94-Y123 HydrophobicContact CD1-CE1 3.71Å; I94-Y123 HydrophobicContact CD1-CE2 4.44Å; I94-Y123 HydrophobicContact CD1-CG 3.61Å |
| 95 | D | 92.8 | Very high | 81 | Confident | 119 Ų | 119 | 76.2 Ų | 76.2 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 178.1 | -67.9 | -30.6 | 0 | 0 | 0 | 111.5 | D93 M97 S99 | D93-D95 VanDerWaalsContact C-N 3.29Å; D93-D95 PolarHBondContact O-N 2.67Å; D95-M97 VanDerWaalsContact C-N 3.34Å; D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.43Å; D95-S99 PolarHBondContact O-N 3.28Å; D95-S99 PolarHBondContact O-OG 2.91Å |
| 96 | I | 93.1 | Very high | 83.4 | Confident | 51 Ų | 51 | 73.6 Ų | 73.6 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 173.3 | -59.8 | 178.5 | 0 | 0 | 0 | 108.8 | K91 F92 D93 I94 V98 S99 L100 L149 | K91-I96 VanDerWaalsContact O-CD1 3.26Å; K91-I96 WeakPolarHBondContact O-CD1 3.07Å; F92-I96 HydrophobicContact CD2-CG2 4.21Å; F92-I96 HydrophobicContact CE2-CG2 4.18Å; D93-I96 WeakPolarHBondContact O-CB 3.37Å; D93-I96 PolarHBondContact O-N 3.22Å; I94-I96 VanDerWaalsContact C-N 3.3Å; I94-I96 PolarHBondContact O-N 3.22Å; I96-V98 PolarHBondContact O-N 3.47Å; I96-S99 WeakPolarHBondContact O-CB 3.34Å; I96-S99 PolarHBondContact O-N 3.37Å; I96-L100 HydrophobicContact CG2-CD1 4.06Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 3.02Å; I96-L149 HydrophobicContact CG2-CD1 4Å |
| 97 | M | 93.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.3 | -52.8 | 178 | -173.6 | 61.4 | 79.6 | 0 | 0 | 112.4 | F92 D93 I94 D95 S99 L100 L101 I142 F172 M175 I177 | F92-M97 HydrophobicContact CD1-CE 4.45Å; F92-M97 HydrophobicContact CE1-CE 3.24Å; F92-M97 HydrophobicContact CZ-CE 3.28Å; F92-M97 HydrophobicContact CZ-SD 4.06Å; D93-M97 PolarHBondContact O-N 3.29Å; D93-M97 VanDerWaalsContact O-N 3.1Å; I94-M97 WeakPolarHBondContact O-CA 3.12Å; I94-M97 VanDerWaalsContact O-CB 3.29Å; I94-M97 WeakPolarHBondContact O-CB 3.36Å; I94-M97 PolarHBondContact O-N 3.1Å; I94-M97 VanDerWaalsContact O-N 3.12Å; D95-M97 VanDerWaalsContact C-N 3.34Å; M97-S99 VanDerWaalsContact C-N 3.27Å; M97-S99 PolarHBondContact O-N 3.39Å; M97-L100 PolarHBondContact O-N 2.77Å; M97-L101 HydrophobicContact CG-CD1 4.22Å; M97-L101 WeakPolarHBondContact O-CG 3.39Å; M97-L101 PolarHBondContact O-N 2.84Å; M97-I142 HydrophobicContact CE-CG2 4.15Å; M97-I142 HydrophobicContact SD-CD1 4.48Å; M97-I142 HydrophobicContact SD-CG2 3.79Å; M97-F172 HydrophobicContact CE-CD2 3.96Å; M97-F172 HydrophobicContact CE-CE2 3.65Å; M97-F172 HydrophobicContact CE-CZ 3.95Å; M97-M175 HydrophobicContact CB-CE 4.29Å; M97-M175 HydrophobicContact CB-SD 4Å; M97-M175 HydrophobicContact CE-CE 3.6Å; M97-M175 HydrophobicContact CE-CG 4.34Å; M97-M175 HydrophobicContact CE-SD 3.49Å; M97-M175 WeakPolarHBondContact CE-SD 3.41Å; M97-M175 HydrophobicContact CG-SD 4.12Å; M97-I177 HydrophobicContact CE-CD1 3.3Å; M97-I177 HydrophobicContact CE-CG1 3.77Å; M97-I177 HydrophobicContact CG-CD1 4.26Å; M97-I177 HydrophobicContact SD-CD1 3.19Å; M97-I177 WeakPolarHBondContact SD-CD1 3.19Å; M97-I177 HydrophobicContact SD-CG1 3.98Å |
| 98 | V | 94.5 | Very high | 87.5 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 179.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | I94 I96 L101 R102 V111 | I94-V98 HydrophobicContact CG1-CG2 4.41Å; I94-V98 WeakPolarHBondContact O-CG2 3.44Å; I94-V98 PolarHBondContact O-N 2.86Å; I96-V98 PolarHBondContact O-N 3.47Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-R102 HydrophobicContact CG1-CG 4.41Å; V98-R102 WeakPolarHBondContact O-CB 3.26Å; V98-R102 VanDerWaalsContact O-CG 3.25Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.81Å; V98-V111 HydrophobicContact CG2-CG2 4.25Å |
| 99 | S | 95.1 | Very high | 89.6 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | D95 I96 M97 R102 Q103 | D95-S99 VanDerWaalsContact O-CB 3.27Å; D95-S99 WeakPolarHBondContact O-CB 3.43Å; D95-S99 PolarHBondContact O-N 3.28Å; D95-S99 PolarHBondContact O-OG 2.91Å; I96-S99 WeakPolarHBondContact O-CB 3.34Å; I96-S99 PolarHBondContact O-N 3.37Å; M97-S99 VanDerWaalsContact C-N 3.27Å; M97-S99 PolarHBondContact O-N 3.39Å; S99-R102 PolarHBondContact O-N 3.45Å; S99-Q103 WeakPolarHBondContact O-CB 3.2Å; S99-Q103 PolarHBondContact O-N 3.41Å |
| 100 | L | 94.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 176.7 | -67.4 | 174.9 | 0 | 0 | 0 | 111.8 | F92 I96 M97 R102 Q103 E104 Y141 I142 M145 | F92-L100 HydrophobicContact CE2-CD1 3.98Å; F92-L100 HydrophobicContact CZ-CD1 4.48Å; I96-L100 HydrophobicContact CG2-CD1 4.06Å; I96-L100 HydrophobicContact CG2-CG 4.26Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 3.02Å; M97-L100 PolarHBondContact O-N 2.77Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 2.64Å; L100-Q103 PolarHBondContact O-N 2.91Å; L100-E104 PolarHBondContact O-N 2.65Å; L100-E104 VanDerWaalsContact O-N 3.09Å; L100-Y141 HydrophobicContact CD2-CE1 3.68Å; L100-I142 HydrophobicContact CB-CG1 4.46Å; L100-M145 HydrophobicContact CD1-CB 3.83Å; L100-M145 HydrophobicContact CD1-CG 4.31Å; L100-M145 HydrophobicContact CD2-CB 4.2Å; L100-M145 HydrophobicContact CD2-CE 4.22Å; L100-M145 HydrophobicContact CD2-CG 3.82Å |
| 101 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176.1 | -70.9 | 171.3 | 0 | 0 | 0 | 111.6 | M97 V98 E104 N105 A106 I109 V125 M138 I142 L179 | M97-L101 HydrophobicContact CG-CD1 4.22Å; M97-L101 WeakPolarHBondContact O-CG 3.39Å; M97-L101 PolarHBondContact O-N 2.84Å; V98-L101 PolarHBondContact O-N 2.98Å; L101-E104 PolarHBondContact O-N 3.03Å; L101-N105 PolarHBondContact O-N 2.92Å; L101-A106 HydrophobicContact CB-CB 4.03Å; L101-A106 HydrophobicContact CD2-CB 4.25Å; L101-A106 VanDerWaalsContact O-CB 3.24Å; L101-A106 WeakPolarHBondContact O-CB 3.37Å; L101-A106 PolarHBondContact O-N 2.96Å; L101-I109 HydrophobicContact CB-CD1 3.79Å; L101-I109 HydrophobicContact CB-CG1 4.47Å; L101-I109 HydrophobicContact CD1-CG2 4.13Å; L101-V125 HydrophobicContact CD1-CG1 3.77Å; L101-M138 HydrophobicContact CD2-CG 4.31Å; L101-M138 HydrophobicContact CD2-SD 3.61Å; L101-I142 HydrophobicContact CD2-CD1 3.68Å; L101-I142 HydrophobicContact CG-CD1 4.42Å; L101-L179 HydrophobicContact CD2-CD2 4.03Å |
| 102 | R | 94.9 | Very high | 93.7 | Very high | 164 Ų | 164 | 62.3 Ų | 62.3 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.7 | -38.2 | 175.5 | -72.7 | 177.6 | -173.8 | -74.2 | -1.5 | 112.2 | V98 S99 L100 E104 N105 I109 | V98-R102 HydrophobicContact CG1-CG 4.41Å; V98-R102 WeakPolarHBondContact O-CB 3.26Å; V98-R102 VanDerWaalsContact O-CG 3.25Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.81Å; S99-R102 PolarHBondContact O-N 3.45Å; L100-R102 VanDerWaalsContact C-N 3.34Å; L100-R102 PolarHBondContact O-N 2.64Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-E104 PolarHBondContact O-N 3.31Å; R102-N105 PolarHBondContact O-N 3.08Å; R102-I109 HydrophobicContact CG-CD1 3.95Å |
| 103 | Q | 95.6 | Very high | 94.1 | Very high | 116 Ų | 116 | 68.2 Ų | 68.2 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 177.8 | -179.6 | 172.5 | 0.8 | 0 | 0 | 112.1 | S99 L100 N105 Y141 | S99-Q103 WeakPolarHBondContact O-CB 3.2Å; S99-Q103 PolarHBondContact O-N 3.41Å; L100-Q103 PolarHBondContact O-N 2.91Å; Q103-N105 PolarHBondContact O-N 3.34Å; Q103-Y141 PolarHBondContact NE2-OH 3.49Å; Q103-Y141 PolarHBondContact OE1-OH 3.31Å |
| 104 | E | 94.6 | Very high | 94.1 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 25% | 0.248 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 3.1 | 175 | -66.9 | -61.7 | 127.6 | 0 | 0 | 113.1 | L100 L101 R102 H134 M138 Y141 | L100-E104 PolarHBondContact O-N 2.65Å; L100-E104 VanDerWaalsContact O-N 3.09Å; L101-E104 PolarHBondContact O-N 3.03Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-E104 PolarHBondContact O-N 3.31Å; E104-H134 PolarHBondContact O-NE2 2.69Å; E104-M138 HydrophobicContact CB-CB 4.46Å; E104-M138 HydrophobicContact CB-CE 4.21Å; E104-M138 HydrophobicContact CB-CG 3.95Å; E104-M138 HydrophobicContact CG-CG 4.27Å; E104-Y141 HydrophobicContact CG-CD1 3.47Å; E104-Y141 VanDerWaalsContact CG-CD1 3.47Å; E104-Y141 HydrophobicContact CG-CE1 3.98Å; E104-Y141 HydrophobicContact CG-CG 4.13Å |
| 105 | N | 94.6 | Very high | 94 | Very high | 120 Ų | 120 | 66.1 Ų | 66.1 | 64% | 0.642 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 42.9 | -176.8 | -62.4 | -81.5 | 0 | 0 | 0 | 113.8 | L101 R102 Q103 R107 | L101-N105 PolarHBondContact O-N 2.92Å; R102-N105 PolarHBondContact O-N 3.08Å; Q103-N105 PolarHBondContact O-N 3.34Å; N105-R107 PolarHBondContact O-N 3.33Å |
| 106 | A | 94.4 | Very high | 93.8 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | trans | -55 | 135.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L101 I109 M138 | L101-A106 HydrophobicContact CB-CB 4.03Å; L101-A106 HydrophobicContact CD2-CB 4.25Å; L101-A106 VanDerWaalsContact O-CB 3.24Å; L101-A106 WeakPolarHBondContact O-CB 3.37Å; L101-A106 PolarHBondContact O-N 2.96Å; A106-I109 HydrophobicContact CB-CD1 4.19Å; A106-I109 HydrophobicContact CB-CG1 4.09Å; A106-M138 HydrophobicContact CB-CE 3.64Å; A106-M138 HydrophobicContact CB-SD 3.81Å | ||
| 107 | R | 93.3 | Very high | 93.6 | Very high | 164 Ų | 164 | 71.9 Ų | 71.9 | 62% | 0.619 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 144.2 | 173.2 | -63.3 | -62.8 | -174.7 | 171.9 | -1.4 | 108.1 | N105 S128 T130 | N105-R107 PolarHBondContact O-N 3.33Å; R107-S128 WeakPolarHBondContact CA-O 3.46Å; R107-S128 WeakPolarHBondContact CB-O 3.41Å; R107-S128 PolarHBondContact N-O 2.7Å; R107-S128 CarbonylContact O-C 3.58Å; R107-S128 VanDerWaalsContact O-CA 3.31Å; R107-S128 WeakPolarHBondContact O-CA 3.26Å; R107-S128 WeakPolarHBondContact O-CB 3.29Å; R107-S128 PolarHBondContact O-N 2.84Å; R107-T130 HydrophobicContact CG-CG2 3.94Å |
| 108 | D | 93 | Very high | 93.1 | Very high | 98 Ų | 98 | 75.4 Ų | 75.4 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.8 | 84.1 | 170.1 | -169.7 | -2.5 | 0 | 0 | 0 | 112.9 | R185 | D108-R185 PolarHBondContact O-NH1 3.19Å; D108-R185 IonicContact OD1-CZ 2.65Å; D108-R185 IonicContact OD1-NH1 3.24Å; D108-R185 IonicContact OD1-NH2 2.69Å; D108-R185 PolarHBondContact OD1-NH2 3.32Å; D108-R185 IonicContact OD2-CZ 3.5Å; D108-R185 VanDerWaalsContact OD2-CZ 3.24Å; D108-R185 IonicContact OD2-NE 3.92Å; D108-R185 IonicContact OD2-NH1 3.51Å; D108-R185 PolarHBondContact OD2-NH1 2.89Å; D108-R185 IonicContact OD2-NH2 2.92Å; D108-R185 PolarHBondContact OD2-NH2 3.09Å |
| 109 | I | 95.1 | Very high | 92.7 | Very high | 45 Ų | 45 | 85.9 Ų | 85.9 | 23% | 0.231 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114 | -179.7 | -56.6 | 168.3 | 0 | 0 | 0 | 107.4 | L101 R102 A106 V111 I126 | L101-I109 HydrophobicContact CB-CD1 3.79Å; L101-I109 HydrophobicContact CB-CG1 4.47Å; L101-I109 HydrophobicContact CD1-CG2 4.13Å; R102-I109 HydrophobicContact CG-CD1 3.95Å; A106-I109 HydrophobicContact CB-CD1 4.19Å; A106-I109 HydrophobicContact CB-CG1 4.09Å; I109-V111 HydrophobicContact CG2-CG2 4.22Å; I109-I126 WeakPolarHBondContact CA-O 3.49Å |
| 110 | C | 95 | Very high | 92.4 | Very high | 28 Ų | 28 | 88 Ų | 88 | 19% | 0.189 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.4 | 172.9 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | I126 R185 E191 | C110-I126 HydrophobicContact CB-CB 4.32Å; C110-I126 PolarHBondContact N-O 3.3Å; C110-I126 PolarHBondContact O-N 3.24Å; C110-R185 VanDerWaalsContact CB-NH2 3.35Å; C110-E191 HydrophobicContact CB-CG 4.32Å |
| 111 | V | 95.5 | Very high | 92.3 | Very high | 61 Ų | 61 | 88.2 Ų | 88.2 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.2 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | I94 V98 I109 Y123 V125 | I94-V111 HydrophobicContact CD1-CG1 3.44Å; I94-V111 VanDerWaalsContact CD1-CG1 3.44Å; V98-V111 HydrophobicContact CG2-CG2 4.25Å; I109-V111 HydrophobicContact CG2-CG2 4.22Å; V111-Y123 HydrophobicContact CG1-CD1 4.42Å; V111-V125 HydrophobicContact CG2-CG1 4.32Å; V111-V125 HydrophobicContact CG2-CG2 4.38Å |
| 112 | I | 94.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 92.4 Ų | 92.4 | 9% | 0.092 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 123.2 | -179.1 | -56.4 | 168.2 | 0 | 0 | 0 | 107.2 | F124 I126 W194 T195 | I112-F124 HydrophobicContact CB-CB 4.24Å; I112-F124 HydrophobicContact CD1-CD1 4.32Å; I112-F124 PolarHBondContact N-O 3.02Å; I112-F124 PolarHBondContact O-N 3.4Å; I112-I126 HydrophobicContact CD1-CD1 4.12Å; I112-W194 HydrophobicContact CD1-CB 3.94Å; I112-T195 HydrophobicContact CD1-CG2 4.1Å; I112-T195 HydrophobicContact CG1-CG2 4.32Å; I112-T195 HydrophobicContact CG2-CG2 4.3Å |
| 113 | Q | 93.3 | Very high | 92.1 | Very high | 146 Ų | 146 | 88.5 Ų | 88.5 | 68% | 0.682 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 122.6 | 170.2 | -174.1 | 177.7 | 3 | 0 | 0 | 108.4 | Y123 | Q113-Y123 HydrophobicContact CB-CD1 4.35Å; Q113-Y123 HydrophobicContact CB-CE1 4.27Å; Q113-Y123 HydrophobicContact CG-CD1 4.43Å; Q113-Y123 HydrophobicContact CG-CE1 4.08Å |
| 114 | V | 92.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 83 Ų | 83 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -92.3 | 133.6 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | M118 T121 D122 F124 W194 | V114-M118 HydrophobicContact CG1-CB 4Å; V114-M118 HydrophobicContact CG1-CG 4.08Å; V114-M118 HydrophobicContact CG1-SD 4.39Å; V114-T121 VanDerWaalsContact CB-O 3.25Å; V114-T121 WeakPolarHBondContact CB-O 3.31Å; V114-T121 WeakPolarHBondContact CG1-O 3.49Å; V114-T121 HydrophobicContact CG2-CG2 4.1Å; V114-D122 PolarHBondContact N-O 3.38Å; V114-F124 HydrophobicContact CG2-CB 3.95Å; V114-W194 HydrophobicContact CG2-CE3 4.38Å |
| 115 | P | 89.4 | Confident | 92.1 | Very high | 74 Ų | 74 | 80.5 Ų | 80.5 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 143.4 | 178.1 | 27 | -34 | 0 | 0 | 0 | 110.6 | E117 M118 | P115-E117 PolarHBondContact O-N 2.96Å; P115-M118 PolarHBondContact O-N 3.3Å |
| 116 | P | 88.9 | Confident | 92.2 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 74% | 0.74 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.3 | -175.4 | 27.4 | -36.1 | 0 | 0 | 0 | 113.9 | M118 | P116-M118 VanDerWaalsContact C-N 3.25Å; P116-M118 PolarHBondContact O-N 3.41Å |
| 117 | E | 89.6 | Confident | 92.2 | Very high | 178 Ų | 178 | 74 Ų | 74 | 83% | 0.832 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -37.3 | 172 | -60.3 | 179.7 | -175.9 | 0 | 0 | 111.5 | P115 R119 | P115-E117 PolarHBondContact O-N 2.96Å; E117-R119 PolarHBondContact O-N 2.96Å |
| 118 | M | 81.6 | Confident | 92.4 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -87.3 | 87.7 | 175.1 | -179.6 | 159.5 | -106.6 | 0 | 0 | 107.8 | V114 P115 P116 Y120 W194 R197 | V114-M118 HydrophobicContact CG1-CB 4Å; V114-M118 HydrophobicContact CG1-CG 4.08Å; V114-M118 HydrophobicContact CG1-SD 4.39Å; P115-M118 PolarHBondContact O-N 3.3Å; P116-M118 VanDerWaalsContact C-N 3.25Å; P116-M118 PolarHBondContact O-N 3.41Å; M118-Y120 PolarHBondContact O-N 3.01Å; M118-W194 HydrophobicContact SD-CE3 4.42Å; M118-W194 HydrophobicContact SD-CZ3 3.9Å; M118-R197 VanDerWaalsContact CE-CZ 3.47Å; M118-R197 PolarHBondContact SD-NH2 3.18Å |
| 119 | R | 86.8 | Confident | 92.4 | Very high | 250 Ų | 250 | 61.8 Ų | 61.8 | 94% | 0.943 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 55.8 | -179.4 | -61.5 | -176.7 | 177.9 | -172.3 | -0.2 | 113.6 | E117 | E117-R119 PolarHBondContact O-N 2.96Š|
| 120 | Y | 89.3 | Confident | 92.4 | Very high | 118 Ų | 118 | 64 Ų | 64 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -61.3 | 180 | -179.2 | -115.5 | 0 | 0 | 0 | 110.2 | M118 F124 V176 W194 | M118-Y120 PolarHBondContact O-N 3.01Å; Y120-F124 HydrophobicContact CE1-CD2 4.28Å; Y120-F124 HydrophobicContact CE1-CE2 4.35Å; Y120-V176 HydrophobicContact CE1-CG1 4.19Å; Y120-W194 AromaticContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CZ2 4.28Å; Y120-W194 AromaticContact CD1-CZ3 3.74Å; Y120-W194 HydrophobicContact CD1-CZ3 3.74Å; Y120-W194 AromaticContact CE1-CH2 3.44Å; Y120-W194 HydrophobicContact CE1-CH2 3.44Å; Y120-W194 VanDerWaalsContact CE1-CH2 3.44Å; Y120-W194 AromaticContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ3 4.22Å; Y120-W194 HydrophobicContact CG-CH2 4.09Å |
| 121 | T | 91.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | trans | -161.1 | 163.2 | -178.2 | -162.7 | 0 | 0 | 0 | 0 | 109.1 | V114 S174 M175 V176 | V114-T121 VanDerWaalsContact CB-O 3.25Å; V114-T121 WeakPolarHBondContact CB-O 3.31Å; V114-T121 WeakPolarHBondContact CG1-O 3.49Å; V114-T121 HydrophobicContact CG2-CG2 4.1Å; T121-S174 VanDerWaalsContact OG1-C 3.29Å; T121-S174 PolarHBondContact OG1-O 3.15Å; T121-S174 VanDerWaalsContact OG1-O 3.06Å; T121-M175 VanDerWaalsContact OG1-CA 3.27Å; T121-M175 WeakPolarHBondContact OG1-CA 3.36Å; T121-M175 PolarHBondContact OG1-N 3.11Å; T121-V176 HydrophobicContact CG2-CG1 4Å | ||
| 122 | D | 92 | Very high | 92.2 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -85.9 | -37.6 | 177.1 | -54.1 | -47.3 | 0 | 0 | 0 | 111.1 | V114 S174 | V114-D122 PolarHBondContact N-O 3.38Å; D122-S174 VanDerWaalsContact CB-O 3.29Å; D122-S174 WeakPolarHBondContact CB-O 3.47Å; D122-S174 PolarHBondContact N-O 3.25Å |
| 123 | Y | 94.6 | Very high | 92.2 | Very high | 81 Ų | 81 | 73.6 Ų | 73.6 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.7 | 179.9 | -61.7 | -79 | 0 | 0 | 0 | 112.7 | I94 V111 Q113 S174 M175 V176 | I94-Y123 HydrophobicContact CD1-CD1 3.38Å; I94-Y123 HydrophobicContact CD1-CD2 4.15Å; I94-Y123 HydrophobicContact CD1-CE1 3.71Å; I94-Y123 HydrophobicContact CD1-CE2 4.44Å; I94-Y123 HydrophobicContact CD1-CG 3.61Å; V111-Y123 HydrophobicContact CG1-CD1 4.42Å; Q113-Y123 HydrophobicContact CB-CD1 4.35Å; Q113-Y123 HydrophobicContact CB-CE1 4.27Å; Q113-Y123 HydrophobicContact CG-CD1 4.43Å; Q113-Y123 HydrophobicContact CG-CE1 4.08Å; Y123-S174 PolarHBondContact N-O 3.24Å; Y123-M175 VanDerWaalsContact O-CA 3.23Å; Y123-M175 WeakPolarHBondContact O-CA 3.48Å; Y123-M175 WeakPolarHBondContact O-CB 3.49Å; Y123-V176 PolarHBondContact O-N 3.12Å |
| 124 | F | 94.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.6 | 173.7 | -165.5 | -88.8 | 0 | 0 | 0 | 109.1 | I112 V114 Y120 I126 V176 H178 W194 | I112-F124 HydrophobicContact CB-CB 4.24Å; I112-F124 HydrophobicContact CD1-CD1 4.32Å; I112-F124 PolarHBondContact N-O 3.02Å; I112-F124 PolarHBondContact O-N 3.4Å; V114-F124 HydrophobicContact CG2-CB 3.95Å; Y120-F124 HydrophobicContact CE1-CD2 4.28Å; Y120-F124 HydrophobicContact CE1-CE2 4.35Å; F124-I126 HydrophobicContact CD1-CD1 3.96Å; F124-I126 HydrophobicContact CD1-CG1 3.75Å; F124-I126 HydrophobicContact CE1-CD1 3.69Å; F124-I126 HydrophobicContact CE1-CG1 3.5Å; F124-V176 HydrophobicContact CB-CG1 4.43Å; F124-V176 HydrophobicContact CD2-CG1 3.26Å; F124-V176 HydrophobicContact CE2-CG1 3.67Å; F124-V176 HydrophobicContact CG-CG1 4.07Å; F124-H178 AromaticContact CE1-CD2 3.81Å; F124-H178 AromaticContact CE2-CD2 3.42Å; F124-H178 VanDerWaalsContact CE2-CD2 3.42Å; F124-H178 WeakPolarHBondContact CE2-CD2 3.37Å; F124-H178 AromaticContact CE2-NE2 3.26Å; F124-H178 VanDerWaalsContact CE2-NE2 3.26Å; F124-H178 WeakPolarHBondContact CE2-NE2 3.35Å; F124-H178 AromaticContact CZ-CD2 3.12Å; F124-H178 WeakPolarHBondContact CZ-CD2 3.33Å; F124-H178 AromaticContact CZ-CG 3.96Å; F124-H178 AromaticContact CZ-NE2 3.32Å; F124-H178 VanDerWaalsContact CZ-NE2 3.32Å; F124-H178 WeakPolarHBondContact CZ-NE2 3.31Å; F124-W194 HydrophobicContact CD1-CG 4.27Å; F124-W194 HydrophobicContact CD2-CD2 4.13Å; F124-W194 AromaticContact CD2-CE2 3.94Å; F124-W194 HydrophobicContact CD2-CE3 4.45Å; F124-W194 HydrophobicContact CD2-CH2 4.47Å; F124-W194 HydrophobicContact CD2-CZ2 4.14Å; F124-W194 AromaticContact CE1-CD1 3.66Å; F124-W194 HydrophobicContact CE1-CG 4.24Å; F124-W194 AromaticContact CE1-NE1 3.77Å; F124-W194 HydrophobicContact CE2-CD2 4.18Å; F124-W194 AromaticContact CE2-CE2 3.54Å; F124-W194 HydrophobicContact CE2-CH2 4.42Å; F124-W194 AromaticContact CE2-CZ2 3.7Å; F124-W194 HydrophobicContact CE2-CZ2 3.7Å; F124-W194 AromaticContact CE2-NE1 3.58Å; F124-W194 HydrophobicContact CG-CD2 4.36Å; F124-W194 HydrophobicContact CG-CG 4.45Å; F124-W194 AromaticContact CZ-CD1 3.71Å; F124-W194 HydrophobicContact CZ-CD2 4.42Å; F124-W194 AromaticContact CZ-CE2 3.79Å; F124-W194 HydrophobicContact CZ-CG 4.41Å; F124-W194 HydrophobicContact CZ-CZ2 4.32Å; F124-W194 AromaticContact CZ-NE1 3.3Å; F124-W194 VanDerWaalsContact CZ-NE1 3.3Å |
| 125 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129 | -176.3 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | L101 V111 V176 I177 H178 | L101-V125 HydrophobicContact CD1-CG1 3.77Å; V111-V125 HydrophobicContact CG2-CG1 4.32Å; V111-V125 HydrophobicContact CG2-CG2 4.38Å; V125-V176 PolarHBondContact N-O 3.26Å; V125-I177 HydrophobicContact CB-CG1 4.36Å; V125-I177 HydrophobicContact CB-CG2 4.44Å; V125-I177 HydrophobicContact CG1-CG2 4.35Å; V125-I177 CarbonylContact O-C 3.55Å; V125-I177 VanDerWaalsContact O-CA 3.31Å; V125-I177 WeakPolarHBondContact O-CA 3.23Å; V125-H178 PolarHBondContact O-N 3.25Å |
| 126 | I | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.8 | 176.4 | -57.1 | 165.9 | 0 | 0 | 0 | 107.8 | I109 C110 I112 F124 H178 M180 L190 E191 | I109-I126 WeakPolarHBondContact CA-O 3.49Å; C110-I126 HydrophobicContact CB-CB 4.32Å; C110-I126 PolarHBondContact N-O 3.3Å; C110-I126 PolarHBondContact O-N 3.24Å; I112-I126 HydrophobicContact CD1-CD1 4.12Å; F124-I126 HydrophobicContact CD1-CD1 3.96Å; F124-I126 HydrophobicContact CD1-CG1 3.75Å; F124-I126 HydrophobicContact CE1-CD1 3.69Å; F124-I126 HydrophobicContact CE1-CG1 3.5Å; I126-H178 WeakPolarHBondContact CA-O 3.32Å; I126-M180 HydrophobicContact CG2-CE 3.34Å; I126-L190 HydrophobicContact CD1-CB 4.06Å; I126-E191 HydrophobicContact CD1-CG 3.58Å |
| 127 | G | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | H178 L179 M180 | G127-H178 PolarHBondContact N-O 2.95Å; G127-L179 WeakPolarHBondContact O-CA 3.12Å; G127-M180 PolarHBondContact O-N 3Å; G127-M180 VanDerWaalsContact O-N 3.09Å |
| 128 | S | 95.8 | Very high | 93 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 137 | 175.7 | -66 | 0 | 0 | 0 | 0 | 112.6 | R107 M180 R185 | R107-S128 WeakPolarHBondContact CA-O 3.46Å; R107-S128 WeakPolarHBondContact CB-O 3.41Å; R107-S128 PolarHBondContact N-O 2.7Å; R107-S128 CarbonylContact O-C 3.58Å; R107-S128 VanDerWaalsContact O-CA 3.31Å; R107-S128 WeakPolarHBondContact O-CA 3.26Å; R107-S128 WeakPolarHBondContact O-CB 3.29Å; R107-S128 PolarHBondContact O-N 2.84Å; S128-M180 VanDerWaalsContact CA-O 3.23Å; S128-M180 WeakPolarHBondContact CA-O 3.42Å; S128-R185 VanDerWaalsContact OG-CD 3.28Å; S128-R185 WeakPolarHBondContact OG-CD 3.26Å; S128-R185 PolarHBondContact OG-NH1 3.47Å |
| 129 | G | 94.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -102.1 | 158.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L135 M180 P182 | G129-L135 VanDerWaalsContact CA-CD2 3.47Å; G129-M180 PolarHBondContact N-O 2.88Å; G129-P182 WeakPolarHBondContact O-CD 3.49Å | ||
| 130 | T | 93.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 55% | 0.552 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -83.4 | -23.1 | 175.7 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | R107 H134 | R107-T130 HydrophobicContact CG-CG2 3.94Å; T130-H134 PolarHBondContact N-ND1 2.83Å; T130-H134 PolarHBondContact OG1-ND1 3.42Å |
| 131 | S | 93.9 | Very high | 94.2 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -157.2 | 160.9 | 180 | 62.5 | 0 | 0 | 0 | 0 | 109.9 | R133 H134 L135 | S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 2.81Å; S131-H134 WeakPolarHBondContact O-CA 3.34Å; S131-H134 WeakPolarHBondContact O-CB 3.46Å; S131-H134 PolarHBondContact O-N 2.83Å; S131-H134 WeakPolarHBondContact OG-CB 3.35Å; S131-H134 PolarHBondContact OG-N 2.9Å; S131-L135 WeakPolarHBondContact O-CG 3.25Å; S131-L135 PolarHBondContact O-N 3.09Å |
| 132 | T | 93.3 | Very high | 94.3 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 178.2 | 64.5 | 0 | 0 | 0 | 0 | 111 | H134 L135 H136 D165 L181 | T132-H134 VanDerWaalsContact C-N 3.29Å; T132-H134 PolarHBondContact O-N 2.87Å; T132-L135 WeakPolarHBondContact O-CB 3.35Å; T132-L135 PolarHBondContact O-N 2.84Å; T132-L135 VanDerWaalsContact O-N 3.15Å; T132-H136 PolarHBondContact O-CD2 3.17Å; T132-H136 PolarHBondContact O-N 3Å; T132-D165 WeakPolarHBondContact CB-O 3.35Å; T132-D165 HydrophobicContact CG2-CB 3.61Å; T132-D165 WeakPolarHBondContact CG2-O 3.29Å; T132-L181 HydrophobicContact CG2-CD1 4.15Å |
| 133 | R | 93.6 | Very high | 94.3 | Very high | 209 Ų | 209 | 36.4 Ų | 36.4 | 79% | 0.789 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -57.7 | -40.1 | 174.1 | -173.7 | -177.4 | 178.2 | 96.9 | 0.9 | 112.7 | S131 H136 A137 | S131-R133 VanDerWaalsContact C-N 3.32Å; S131-R133 PolarHBondContact O-N 2.81Å; R133-H136 PolarHBondContact O-N 3.38Å; R133-A137 WeakPolarHBondContact O-CB 3.41Å; R133-A137 PolarHBondContact O-N 3Å |
| 134 | H | 94.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 177.7 | 177.6 | -161.2 | 0 | 0 | 0 | 110.9 | E104 T130 S131 T132 H136 A137 M138 | E104-H134 PolarHBondContact O-NE2 2.69Å; T130-H134 PolarHBondContact N-ND1 2.83Å; T130-H134 PolarHBondContact OG1-ND1 3.42Å; S131-H134 WeakPolarHBondContact O-CA 3.34Å; S131-H134 WeakPolarHBondContact O-CB 3.46Å; S131-H134 PolarHBondContact O-N 2.83Å; S131-H134 WeakPolarHBondContact OG-CB 3.35Å; S131-H134 PolarHBondContact OG-N 2.9Å; T132-H134 VanDerWaalsContact C-N 3.29Å; T132-H134 PolarHBondContact O-N 2.87Å; H134-H136 VanDerWaalsContact C-N 3.33Å; H134-H136 PolarHBondContact O-N 3.27Å; H134-A137 PolarHBondContact O-N 3.29Å; H134-M138 WeakPolarHBondContact NE2-CE 3.24Å; H134-M138 WeakPolarHBondContact O-CB 3.44Å; H134-M138 PolarHBondContact O-N 3.04Å |
| 135 | L | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 174.3 | -64.7 | 171.6 | 0 | 0 | 0 | 111.3 | G129 S131 T132 M138 A139 M168 L179 L181 | G129-L135 VanDerWaalsContact CA-CD2 3.47Å; S131-L135 WeakPolarHBondContact O-CG 3.25Å; S131-L135 PolarHBondContact O-N 3.09Å; T132-L135 WeakPolarHBondContact O-CB 3.35Å; T132-L135 PolarHBondContact O-N 2.84Å; T132-L135 VanDerWaalsContact O-N 3.15Å; L135-M138 PolarHBondContact O-N 3.06Å; L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.95Å; L135-M168 HydrophobicContact CB-CE 3.26Å; L135-L179 HydrophobicContact CD2-CB 3.9Å; L135-L181 HydrophobicContact CD1-CD2 3.96Å; L135-L181 HydrophobicContact CD1-CG 3.94Å |
| 136 | H | 93.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 41.7 Ų | 41.7 | 15% | 0.153 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -47.8 | -179.8 | -80.3 | -76.2 | 0 | 0 | 0 | 111.5 | T132 R133 H134 M138 A139 F140 K162 D165 M168 | T132-H136 PolarHBondContact O-CD2 3.17Å; T132-H136 PolarHBondContact O-N 3Å; R133-H136 PolarHBondContact O-N 3.38Å; H134-H136 VanDerWaalsContact C-N 3.33Å; H134-H136 PolarHBondContact O-N 3.27Å; H136-M138 VanDerWaalsContact C-N 3.27Å; H136-M138 PolarHBondContact O-N 2.97Å; H136-A139 PolarHBondContact O-N 2.98Å; H136-F140 HydrophobicContact CB-CD2 4.31Å; H136-F140 HydrophobicContact CB-CE2 4.21Å; H136-F140 WeakPolarHBondContact O-CD2 3.42Å; H136-F140 PolarHBondContact O-N 3.49Å; H136-K162 PolarHBondContact CE1-O 3.19Å; H136-D165 IonicContact NE2-OD1 3.05Å; H136-M168 HydrophobicContact CB-CE 4.26Å; H136-M168 VanDerWaalsContact CE1-SD 3.52Å; H136-M168 PolarHBondContact ND1-SD 3.31Å |
| 137 | A | 93.9 | Very high | 93.6 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.5 | -45.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | R133 H134 F140 Y141 | R133-A137 WeakPolarHBondContact O-CB 3.41Å; R133-A137 PolarHBondContact O-N 3Å; H134-A137 PolarHBondContact O-N 3.29Å; A137-F140 PolarHBondContact O-N 3.04Å; A137-Y141 VanDerWaalsContact O-CB 3.24Å; A137-Y141 WeakPolarHBondContact O-CB 3.48Å; A137-Y141 PolarHBondContact O-N 2.93Å |
| 138 | M | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 178 | -169.4 | -174.1 | -55.9 | 0 | 0 | 112 | L101 E104 A106 H134 L135 H136 F140 Y141 I142 L179 | L101-M138 HydrophobicContact CD2-CG 4.31Å; L101-M138 HydrophobicContact CD2-SD 3.61Å; E104-M138 HydrophobicContact CB-CB 4.46Å; E104-M138 HydrophobicContact CB-CE 4.21Å; E104-M138 HydrophobicContact CB-CG 3.95Å; E104-M138 HydrophobicContact CG-CG 4.27Å; A106-M138 HydrophobicContact CB-CE 3.64Å; A106-M138 HydrophobicContact CB-SD 3.81Å; H134-M138 WeakPolarHBondContact NE2-CE 3.24Å; H134-M138 WeakPolarHBondContact O-CB 3.44Å; H134-M138 PolarHBondContact O-N 3.04Å; L135-M138 PolarHBondContact O-N 3.06Å; H136-M138 VanDerWaalsContact C-N 3.27Å; H136-M138 PolarHBondContact O-N 2.97Å; M138-F140 PolarHBondContact O-N 2.91Å; M138-Y141 PolarHBondContact O-N 3.23Å; M138-I142 HydrophobicContact CG-CD1 3.97Å; M138-I142 VanDerWaalsContact O-CG1 3.29Å; M138-I142 WeakPolarHBondContact O-CG1 3.31Å; M138-I142 PolarHBondContact O-N 3.32Å; M138-L179 HydrophobicContact CB-CD1 4.38Å; M138-L179 HydrophobicContact CG-CD1 4.26Å; M138-L179 HydrophobicContact SD-CD1 4.22Å; M138-L179 HydrophobicContact SD-CD2 3.69Å |
| 139 | A | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L135 H136 Y141 V143 I159 M168 V170 L179 | L135-A139 WeakPolarHBondContact O-CB 3.42Å; L135-A139 PolarHBondContact O-N 2.95Å; H136-A139 PolarHBondContact O-N 2.98Å; A139-Y141 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 2.98Å; A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.01Å; A139-V143 VanDerWaalsContact O-N 3.07Å; A139-I159 HydrophobicContact CB-CD1 4.22Å; A139-I159 HydrophobicContact CB-CG2 4.39Å; A139-M168 HydrophobicContact CB-SD 4.16Å; A139-V170 HydrophobicContact CB-CG2 4.41Å; A139-L179 HydrophobicContact CB-CD1 3.89Å |
| 140 | F | 93.3 | Very high | 92.1 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 176.7 | -74.5 | -61.4 | 0 | 0 | 0 | 112.4 | H136 A137 M138 K144 I159 | H136-F140 HydrophobicContact CB-CD2 4.31Å; H136-F140 HydrophobicContact CB-CE2 4.21Å; H136-F140 WeakPolarHBondContact O-CD2 3.42Å; H136-F140 PolarHBondContact O-N 3.49Å; A137-F140 PolarHBondContact O-N 3.04Å; M138-F140 PolarHBondContact O-N 2.91Å; F140-K144 VanDerWaalsContact O-CB 3.23Å; F140-K144 WeakPolarHBondContact O-CB 3.25Å; F140-K144 PolarHBondContact O-N 2.94Å; F140-I159 HydrophobicContact CD1-CD1 3.68Å; F140-I159 HydrophobicContact CE1-CD1 3.85Å; F140-I159 HydrophobicContact CG-CD1 4.33Å |
| 141 | Y | 94.5 | Very high | 91.4 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 20% | 0.2 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 177.3 | -179.8 | -109.4 | 0 | 0 | 0 | 111.4 | L100 Q103 E104 A137 M138 A139 V143 K144 M145 | L100-Y141 HydrophobicContact CD2-CE1 3.68Å; Q103-Y141 PolarHBondContact NE2-OH 3.49Å; Q103-Y141 PolarHBondContact OE1-OH 3.31Å; E104-Y141 HydrophobicContact CG-CD1 3.47Å; E104-Y141 VanDerWaalsContact CG-CD1 3.47Å; E104-Y141 HydrophobicContact CG-CE1 3.98Å; E104-Y141 HydrophobicContact CG-CG 4.13Å; A137-Y141 VanDerWaalsContact O-CB 3.24Å; A137-Y141 WeakPolarHBondContact O-CB 3.48Å; A137-Y141 PolarHBondContact O-N 2.93Å; M138-Y141 PolarHBondContact O-N 3.23Å; A139-Y141 VanDerWaalsContact C-N 3.34Å; A139-Y141 PolarHBondContact O-N 2.98Å; Y141-V143 PolarHBondContact O-N 3.48Å; Y141-K144 WeakPolarHBondContact O-CB 3.23Å; Y141-K144 PolarHBondContact O-N 3.37Å; Y141-K144 VanDerWaalsContact O-N 3.13Å; Y141-M145 HydrophobicContact CD1-CG 4.37Å; Y141-M145 HydrophobicContact CD2-CG 4.38Å; Y141-M145 HydrophobicContact CE1-CG 4.01Å; Y141-M145 HydrophobicContact CE2-CG 3.98Å; Y141-M145 HydrophobicContact CE2-SD 4.08Å; Y141-M145 WeakPolarHBondContact O-CG 3.24Å; Y141-M145 PolarHBondContact O-N 2.94Å |
| 142 | I | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 179 | -63.5 | 164.1 | 0 | 0 | 0 | 110.6 | F92 M97 L100 L101 M138 K144 M145 Y146 F172 I177 L179 | F92-I142 HydrophobicContact CZ-CG2 4.22Å; M97-I142 HydrophobicContact CE-CG2 4.15Å; M97-I142 HydrophobicContact SD-CD1 4.48Å; M97-I142 HydrophobicContact SD-CG2 3.79Å; L100-I142 HydrophobicContact CB-CG1 4.46Å; L101-I142 HydrophobicContact CD2-CD1 3.68Å; L101-I142 HydrophobicContact CG-CD1 4.42Å; M138-I142 HydrophobicContact CG-CD1 3.97Å; M138-I142 VanDerWaalsContact O-CG1 3.29Å; M138-I142 WeakPolarHBondContact O-CG1 3.31Å; M138-I142 PolarHBondContact O-N 3.32Å; I142-K144 VanDerWaalsContact C-N 3.28Å; I142-K144 PolarHBondContact O-N 2.96Å; I142-M145 PolarHBondContact O-N 3.03Å; I142-M145 VanDerWaalsContact O-N 3.15Å; I142-Y146 WeakPolarHBondContact O-CB 3.43Å; I142-Y146 PolarHBondContact O-N 3.01Å; I142-F172 HydrophobicContact CG2-CE1 4.3Å; I142-F172 HydrophobicContact CG2-CZ 3.65Å; I142-I177 HydrophobicContact CD1-CD1 4Å; I142-I177 HydrophobicContact CG2-CD1 3.94Å; I142-L179 HydrophobicContact CD1-CD1 4.48Å |
| 143 | V | 92.9 | Very high | 89.8 | Confident | 9 Ų | 9 | 71 Ų | 71 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -36 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | A139 Y141 K147 V157 I159 V170 | A139-V143 WeakPolarHBondContact O-CG2 3.39Å; A139-V143 PolarHBondContact O-N 3.01Å; A139-V143 VanDerWaalsContact O-N 3.07Å; Y141-V143 PolarHBondContact O-N 3.48Å; V143-K147 HydrophobicContact CG1-CD 4.36Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.41Å; V143-K147 PolarHBondContact O-N 3.21Å; V143-V157 HydrophobicContact CG2-CG1 4.15Å; V143-I159 HydrophobicContact CB-CD1 4.29Å; V143-I159 HydrophobicContact CG2-CD1 3.85Å; V143-I159 HydrophobicContact CG2-CG1 3.64Å; V143-V170 HydrophobicContact CG2-CG1 3.67Å |
| 144 | K | 92.8 | Very high | 89.3 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 172.9 | -178.4 | 179.4 | 177.6 | 177 | 0 | 109.9 | F140 Y141 I142 Y146 K147 H148 | F140-K144 VanDerWaalsContact O-CB 3.23Å; F140-K144 WeakPolarHBondContact O-CB 3.25Å; F140-K144 PolarHBondContact O-N 2.94Å; Y141-K144 WeakPolarHBondContact O-CB 3.23Å; Y141-K144 PolarHBondContact O-N 3.37Å; Y141-K144 VanDerWaalsContact O-N 3.13Å; I142-K144 VanDerWaalsContact C-N 3.28Å; I142-K144 PolarHBondContact O-N 2.96Å; K144-Y146 PolarHBondContact O-N 2.81Å; K144-K147 WeakPolarHBondContact O-CB 3.11Å; K144-K147 PolarHBondContact O-N 2.83Å; K144-H148 PolarHBondContact O-N 3.48Å; K144-H148 PolarHBondContact O-ND1 2.87Å |
| 145 | M | 91.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 179.8 | -66.6 | -56.1 | -68.1 | 0 | 0 | 111.9 | L100 Y141 I142 K147 H148 L149 | L100-M145 HydrophobicContact CD1-CB 3.83Å; L100-M145 HydrophobicContact CD1-CG 4.31Å; L100-M145 HydrophobicContact CD2-CB 4.2Å; L100-M145 HydrophobicContact CD2-CE 4.22Å; L100-M145 HydrophobicContact CD2-CG 3.82Å; Y141-M145 HydrophobicContact CD1-CG 4.37Å; Y141-M145 HydrophobicContact CD2-CG 4.38Å; Y141-M145 HydrophobicContact CE1-CG 4.01Å; Y141-M145 HydrophobicContact CE2-CG 3.98Å; Y141-M145 HydrophobicContact CE2-SD 4.08Å; Y141-M145 WeakPolarHBondContact O-CG 3.24Å; Y141-M145 PolarHBondContact O-N 2.94Å; I142-M145 PolarHBondContact O-N 3.03Å; I142-M145 VanDerWaalsContact O-N 3.15Å; M145-K147 VanDerWaalsContact C-N 3.31Å; M145-K147 PolarHBondContact O-N 2.99Å; M145-H148 PolarHBondContact O-N 2.67Å; M145-L149 WeakPolarHBondContact O-CG 3.23Å; M145-L149 PolarHBondContact O-N 2.82Å |
| 146 | Y | 90.9 | Very high | 88.3 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.8 | -44.7 | 172.9 | 179.5 | -104 | 0 | 0 | 0 | 112.1 | F92 I142 K144 H148 L149 K150 V157 F172 | F92-Y146 HydrophobicContact CB-CD2 4.07Å; F92-Y146 HydrophobicContact CB-CE2 4.17Å; F92-Y146 AromaticContact CD1-CD2 3.45Å; F92-Y146 HydrophobicContact CD1-CD2 3.45Å; F92-Y146 VanDerWaalsContact CD1-CD2 3.45Å; F92-Y146 AromaticContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD1-CE2 3.84Å; F92-Y146 HydrophobicContact CD2-CD2 4.08Å; F92-Y146 AromaticContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CD2 3.76Å; F92-Y146 HydrophobicContact CE1-CE2 4.44Å; F92-Y146 HydrophobicContact CE2-CD2 4.38Å; F92-Y146 AromaticContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CD2 3.62Å; F92-Y146 HydrophobicContact CG-CE2 4.12Å; F92-Y146 HydrophobicContact CZ-CD2 4.23Å; I142-Y146 WeakPolarHBondContact O-CB 3.43Å; I142-Y146 PolarHBondContact O-N 3.01Å; K144-Y146 PolarHBondContact O-N 2.81Å; Y146-H148 PolarHBondContact O-N 2.9Å; Y146-L149 PolarHBondContact O-N 2.91Å; Y146-K150 HydrophobicContact CD1-CB 4.49Å; Y146-K150 HydrophobicContact CD1-CD 4.15Å; Y146-K150 HydrophobicContact CE1-CB 4.11Å; Y146-K150 HydrophobicContact CE1-CD 3.77Å; Y146-K150 HydrophobicContact CE2-CB 4.26Å; Y146-K150 VanDerWaalsContact O-CB 3.25Å; Y146-K150 WeakPolarHBondContact O-CB 3.27Å; Y146-K150 WeakPolarHBondContact O-CG 3.42Å; Y146-K150 PolarHBondContact O-N 2.84Å; Y146-V157 HydrophobicContact CD1-CB 4.21Å; Y146-V157 HydrophobicContact CD1-CG2 3.65Å; Y146-V157 HydrophobicContact CE1-CB 4.22Å; Y146-V157 HydrophobicContact CE1-CG2 3.3Å; Y146-V157 HydrophobicContact CG-CG2 4.5Å; Y146-F172 HydrophobicContact CD1-CD1 4.22Å; Y146-F172 HydrophobicContact CD1-CE1 4.33Å; Y146-F172 AromaticContact CD2-CD1 3.6Å; Y146-F172 HydrophobicContact CD2-CD1 3.6Å; Y146-F172 AromaticContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CE1-CD1 4.46Å; Y146-F172 AromaticContact CE2-CD1 3.85Å; Y146-F172 HydrophobicContact CE2-CD1 3.85Å; Y146-F172 AromaticContact CG-CD1 3.78Å; Y146-F172 HydrophobicContact CG-CD1 3.78Å; Y146-F172 AromaticContact CG-CE1 3.78Å; Y146-F172 HydrophobicContact CG-CE1 3.78Å |
| 147 | K | 89.5 | Confident | 88.2 | Confident | 113 Ų | 113 | 73.9 Ų | 73.9 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -27.1 | 176.7 | -75.1 | 172.5 | -178.9 | -179.1 | 0 | 114 | V143 K144 M145 | V143-K147 HydrophobicContact CG1-CD 4.36Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.41Å; V143-K147 PolarHBondContact O-N 3.21Å; K144-K147 WeakPolarHBondContact O-CB 3.11Å; K144-K147 PolarHBondContact O-N 2.83Å; M145-K147 VanDerWaalsContact C-N 3.31Å; M145-K147 PolarHBondContact O-N 2.99Å |
| 148 | H | 87.9 | Confident | 88 | Confident | 137 Ų | 137 | 77.7 Ų | 77.7 | 63% | 0.634 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -84.6 | -29.6 | 177.5 | -68.1 | 73 | 0 | 0 | 0 | 112.3 | K144 M145 Y146 | K144-H148 PolarHBondContact O-N 3.48Å; K144-H148 PolarHBondContact O-ND1 2.87Å; M145-H148 PolarHBondContact O-N 2.67Å; Y146-H148 PolarHBondContact O-N 2.9Å |
| 149 | L | 85.9 | Confident | 87.8 | Confident | 49 Ų | 49 | 78 Ų | 78 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -92.8 | -25.5 | -176.7 | -66.3 | 171.2 | 0 | 0 | 0 | 113.4 | F92 I96 M145 Y146 | F92-L149 HydrophobicContact CD2-CD1 3.99Å; F92-L149 HydrophobicContact CE2-CD1 4.47Å; I96-L149 HydrophobicContact CG2-CD1 4Å; M145-L149 WeakPolarHBondContact O-CG 3.23Å; M145-L149 PolarHBondContact O-N 2.82Å; Y146-L149 PolarHBondContact O-N 2.91Å |
| 150 | K | 81.1 | Confident | 87.8 | Confident | 43 Ų | 43 | 82.1 Ų | 82.1 | 19% | 0.187 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -63.8 | 151.2 | -174.2 | 68.4 | 177 | -175.8 | 153.2 | 0 | 113.4 | Y146 D154 H156 | Y146-K150 HydrophobicContact CD1-CB 4.49Å; Y146-K150 HydrophobicContact CD1-CD 4.15Å; Y146-K150 HydrophobicContact CE1-CB 4.11Å; Y146-K150 HydrophobicContact CE1-CD 3.77Å; Y146-K150 HydrophobicContact CE2-CB 4.26Å; Y146-K150 VanDerWaalsContact O-CB 3.25Å; Y146-K150 WeakPolarHBondContact O-CB 3.27Å; Y146-K150 WeakPolarHBondContact O-CG 3.42Å; Y146-K150 PolarHBondContact O-N 2.84Å; K150-D154 HydrophobicContact CB-CB 4.36Å; K150-H156 PolarHBondContact NZ-CD2 3.36Å; K150-H156 PolarHBondContact NZ-NE2 3.4Å |
| 151 | C | 77.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 78.3 Ų | 78.3 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | trans | -74.4 | 153.6 | 169.6 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | H153 D154 | C151-H153 PolarHBondContact O-N 3.46Å; C151-D154 WeakPolarHBondContact CB-OD2 3.45Å; C151-D154 PolarHBondContact N-OD2 3.15Å; C151-D154 PolarHBondContact O-N 2.99Å; C151-D154 VanDerWaalsContact O-N 3.08Å | ||
| 152 | K | 75.7 | Confident | 87 | Confident | 214 Ų | 214 | 80.8 Ų | 80.8 | 93% | 0.93 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.9 | -178 | -70.8 | -177.6 | -179.5 | 176.5 | 0 | 114.1 | ||
| 153 | H | 78.7 | Confident | 86.7 | Confident | 183 Ų | 183 | 88.6 Ų | 88.6 | 85% | 0.847 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -15.2 | -179 | -69.4 | -72.2 | 0 | 0 | 0 | 113.6 | C151 | C151-H153 PolarHBondContact O-N 3.46Š|
| 154 | D | 83.2 | Confident | 86.2 | Confident | 64 Ų | 64 | 91.7 Ų | 91.7 | 34% | 0.342 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -77 | 140.3 | -176 | -57.7 | -32.5 | 0 | 0 | 0 | 111.2 | K150 C151 | K150-D154 HydrophobicContact CB-CB 4.36Å; C151-D154 WeakPolarHBondContact CB-OD2 3.45Å; C151-D154 PolarHBondContact N-OD2 3.15Å; C151-D154 PolarHBondContact O-N 2.99Å; C151-D154 VanDerWaalsContact O-N 3.08Å |
| 155 | P | 83.9 | Confident | 85.8 | Confident | 99 Ų | 99 | 89.8 Ų | 89.8 | 64% | 0.643 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 159.2 | -179 | 25.4 | -33.2 | 0 | 0 | 0 | 112.2 | ||
| 156 | H | 84.8 | Confident | 85.7 | Confident | 148 Ų | 148 | 90.9 Ų | 90.9 | 69% | 0.685 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 128.9 | 174 | -70.2 | 85.5 | 0 | 0 | 0 | 110 | K150 | K150-H156 PolarHBondContact NZ-CD2 3.36Å; K150-H156 PolarHBondContact NZ-NE2 3.4Å |
| 157 | V | 90.5 | Very high | 85.8 | Confident | 21 Ų | 21 | 94 Ų | 94 | 13% | 0.127 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -79 | 134.2 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 109.9 | V143 Y146 V170 D171 F172 | V143-V157 HydrophobicContact CG2-CG1 4.15Å; Y146-V157 HydrophobicContact CD1-CB 4.21Å; Y146-V157 HydrophobicContact CD1-CG2 3.65Å; Y146-V157 HydrophobicContact CE1-CB 4.22Å; Y146-V157 HydrophobicContact CE1-CG2 3.3Å; Y146-V157 HydrophobicContact CG-CG2 4.5Å; V157-V170 HydrophobicContact CG1-CG1 3.32Å; V157-D171 VanDerWaalsContact CG1-O 3.24Å; V157-D171 WeakPolarHBondContact CG1-O 3.19Å; V157-D171 WeakPolarHBondContact CG2-O 3.29Å; V157-F172 HydrophobicContact CG1-CD1 4.35Å; V157-F172 HydrophobicContact CG1-CE1 4.15Å; V157-F172 HydrophobicContact CG2-CD1 3.75Å; V157-F172 HydrophobicContact CG2-CE1 4.22Å; V157-F172 HydrophobicContact CG2-CG 4.42Å |
| 158 | K | 88.9 | Confident | 86.1 | Confident | 130 Ų | 130 | 88.6 Ų | 88.6 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | trans | -104.2 | 144.7 | 171.9 | -175 | 170.2 | 168.5 | -114.3 | 0 | 108.7 | E160 | K158-E160 WeakPolarHBondContact CD-OE1 3.41Å; K158-E160 WeakPolarHBondContact CE-OE1 3.26Å; K158-E160 WeakPolarHBondContact CG-OE1 3.49Å; K158-E160 IonicContact NZ-OE1 2.72Å; K158-E160 PolarHBondContact NZ-OE1 3.33Å; K158-E160 IonicContact NZ-OE2 2.85Å; K158-E160 PolarHBondContact NZ-OE2 2.98Å | ||
| 159 | I | 92.5 | Very high | 86.4 | Confident | 7 Ų | 7 | 83.8 Ų | 83.8 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123 | 169.9 | -56.3 | 170.3 | 0 | 0 | 0 | 105.8 | A139 F140 V143 K162 M168 V170 | A139-I159 HydrophobicContact CB-CD1 4.22Å; A139-I159 HydrophobicContact CB-CG2 4.39Å; F140-I159 HydrophobicContact CD1-CD1 3.68Å; F140-I159 HydrophobicContact CE1-CD1 3.85Å; F140-I159 HydrophobicContact CG-CD1 4.33Å; V143-I159 HydrophobicContact CB-CD1 4.29Å; V143-I159 HydrophobicContact CG2-CD1 3.85Å; V143-I159 HydrophobicContact CG2-CG1 3.64Å; I159-K162 HydrophobicContact CB-CG 4.26Å; I159-K162 HydrophobicContact CG2-CG 4.08Å; I159-K162 WeakPolarHBondContact O-CE 3.29Å; I159-M168 HydrophobicContact CG2-CG 4.5Å; I159-M168 HydrophobicContact CG2-SD 4.31Å; I159-V170 HydrophobicContact CB-CG2 4.49Å; I159-V170 HydrophobicContact CG1-CG2 4.12Å; I159-V170 HydrophobicContact CG2-CG2 4.2Å |
| 160 | E | 92.4 | Very high | 86.8 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 153.7 | 170.8 | -55.6 | -58 | 150.6 | 0 | 0 | 109.6 | K158 C169 | K158-E160 WeakPolarHBondContact CD-OE1 3.41Å; K158-E160 WeakPolarHBondContact CE-OE1 3.26Å; K158-E160 WeakPolarHBondContact CG-OE1 3.49Å; K158-E160 IonicContact NZ-OE1 2.72Å; K158-E160 PolarHBondContact NZ-OE1 3.33Å; K158-E160 IonicContact NZ-OE2 2.85Å; K158-E160 PolarHBondContact NZ-OE2 2.98Å; E160-C169 PolarHBondContact N-O 3.19Å; E160-C169 PolarHBondContact O-N 3.34Å |
| 161 | G | 88.7 | Confident | 87.3 | Confident | 25 Ų | 25 | 83.6 Ų | 83.6 | 26% | 0.258 | 43% | 0.428 | S | S | . | . | trans | 77.9 | 26.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | D163 T164 M168 | G161-D163 PolarHBondContact O-N 3.29Å; G161-T164 PolarHBondContact O-N 3Å; G161-M168 VanDerWaalsContact O-CG 3.23Å; G161-M168 WeakPolarHBondContact O-CG 3.49Å | ||
| 162 | K | 84.3 | Confident | 87.9 | Confident | 103 Ų | 103 | 81 Ų | 81 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.2 | 176.9 | -70.2 | -177.6 | -176 | 175.8 | 0 | 114.1 | H136 I159 | H136-K162 PolarHBondContact CE1-O 3.19Å; I159-K162 HydrophobicContact CB-CG 4.26Å; I159-K162 HydrophobicContact CG2-CG 4.08Å; I159-K162 WeakPolarHBondContact O-CE 3.29Å |
| 163 | D | 86.1 | Confident | 88.5 | Confident | 164 Ų | 164 | 73.1 Ų | 73.1 | 88% | 0.877 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -9.3 | -179.3 | -52.4 | -34.8 | 0 | 0 | 0 | 111.4 | G161 | G161-D163 PolarHBondContact O-N 3.29Š|
| 164 | T | 83.2 | Confident | 88.9 | Confident | 75 Ų | 75 | 67 Ų | 67 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | trans | -106.5 | 122.4 | 178.9 | -52.2 | 0 | 0 | 0 | 0 | 108.7 | G161 | G161-T164 PolarHBondContact O-N 3Š| ||
| 165 | D | 83.1 | Confident | 89.4 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -81.3 | -21.3 | -170.7 | -75 | -19.6 | 0 | 0 | 0 | 113.3 | T132 H136 | T132-D165 WeakPolarHBondContact CB-O 3.35Å; T132-D165 HydrophobicContact CG2-CB 3.61Å; T132-D165 WeakPolarHBondContact CG2-O 3.29Å; H136-D165 IonicContact NE2-OD1 3.05Å |
| 166 | D | 90.2 | Very high | 89.9 | Confident | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -95.3 | -20.6 | -167.1 | -52.3 | -31.8 | 0 | 0 | 0 | 113.3 | M180 L181 | D166-M180 VanDerWaalsContact O-CA 3.29Å; D166-M180 WeakPolarHBondContact O-CA 3.34Å; D166-L181 HydrophobicContact CB-CD1 4.29Å; D166-L181 PolarHBondContact O-N 3.21Å |
| 167 | W | 94 | Very high | 90.4 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 125.4 | -176.1 | -175.9 | 18.3 | 0 | 0 | 0 | 111.6 | H178 M180 L190 | W167-H178 AromaticContact CE2-ND1 3.57Å; W167-H178 AromaticContact CZ2-CE1 3.93Å; W167-H178 AromaticContact CZ2-ND1 3.41Å; W167-H178 WeakPolarHBondContact CZ2-ND1 3.27Å; W167-H178 AromaticContact NE1-CG 3.86Å; W167-H178 AromaticContact NE1-ND1 3.17Å; W167-H178 PolarHBondContact NE1-ND1 3.21Å; W167-H178 VanDerWaalsContact NE1-ND1 3.17Å; W167-M180 HydrophobicContact CB-CB 4.42Å; W167-M180 HydrophobicContact CG-CB 4.4Å; W167-L190 HydrophobicContact CZ2-CD1 4.07Å |
| 168 | M | 94.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147.9 | 169.2 | -79.3 | 176.5 | -73.5 | 0 | 0 | 110.7 | L135 H136 A139 I159 G161 L179 | L135-M168 HydrophobicContact CB-CE 3.26Å; H136-M168 HydrophobicContact CB-CE 4.26Å; H136-M168 VanDerWaalsContact CE1-SD 3.52Å; H136-M168 PolarHBondContact ND1-SD 3.31Å; A139-M168 HydrophobicContact CB-SD 4.16Å; I159-M168 HydrophobicContact CG2-CG 4.5Å; I159-M168 HydrophobicContact CG2-SD 4.31Å; G161-M168 VanDerWaalsContact O-CG 3.23Å; G161-M168 WeakPolarHBondContact O-CG 3.49Å; M168-L179 PolarHBondContact N-O 3.37Å; M168-L179 PolarHBondContact O-N 3.34Å |
| 169 | C | 94.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 46.1 Ų | 46.1 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.4 | 169.6 | 67 | 0 | 0 | 0 | 0 | 111.8 | E160 I177 | E160-C169 PolarHBondContact N-O 3.19Å; E160-C169 PolarHBondContact O-N 3.34Å; C169-I177 CarbonylContact C-O 3.53Å; C169-I177 VanDerWaalsContact CA-O 3.24Å; C169-I177 WeakPolarHBondContact CA-O 3.01Å |
| 170 | V | 94.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 119.2 | -177.9 | -169.7 | 0 | 0 | 0 | 0 | 108.2 | A139 V143 V157 I159 F172 I177 | A139-V170 HydrophobicContact CB-CG2 4.41Å; V143-V170 HydrophobicContact CG2-CG1 3.67Å; V157-V170 HydrophobicContact CG1-CG1 3.32Å; I159-V170 HydrophobicContact CB-CG2 4.49Å; I159-V170 HydrophobicContact CG1-CG2 4.12Å; I159-V170 HydrophobicContact CG2-CG2 4.2Å; V170-F172 HydrophobicContact CB-CE2 3.95Å; V170-F172 HydrophobicContact CB-CZ 4.15Å; V170-F172 HydrophobicContact CG1-CD2 4.46Å; V170-F172 HydrophobicContact CG1-CE1 4.11Å; V170-F172 HydrophobicContact CG1-CE2 3.55Å; V170-F172 HydrophobicContact CG1-CZ 3.35Å; V170-I177 PolarHBondContact N-O 2.96Å; V170-I177 PolarHBondContact O-N 2.7Å |
| 171 | D | 92.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 43 Ų | 43 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.7 | -177.2 | -176 | 3.1 | 0 | 0 | 0 | 110.8 | V157 G173 V176 | V157-D171 VanDerWaalsContact CG1-O 3.24Å; V157-D171 WeakPolarHBondContact CG1-O 3.19Å; V157-D171 WeakPolarHBondContact CG2-O 3.29Å; D171-G173 PolarHBondContact OD1-N 3.26Å; D171-V176 HydrophobicContact CB-CG2 4.34Å |
| 172 | F | 90 | Very high | 91.5 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 8% | 0.075 | 25% | 0.254 | C | S | . | . | trans | -106.9 | 0.8 | 178.5 | -56.2 | -89.9 | 0 | 0 | 0 | 112.8 | F92 M97 I142 Y146 V157 V170 S174 M175 I177 | F92-F172 HydrophobicContact CD1-CD1 4.15Å; F92-F172 HydrophobicContact CD1-CG 4.49Å; F92-F172 AromaticContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD1 3.57Å; F92-F172 HydrophobicContact CE1-CD2 4.4Å; F92-F172 AromaticContact CE1-CE1 3.73Å; F92-F172 HydrophobicContact CE1-CE1 3.73Å; F92-F172 AromaticContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CG 3.94Å; F92-F172 HydrophobicContact CE1-CZ 4.23Å; F92-F172 HydrophobicContact CZ-CD1 4.39Å; F92-F172 HydrophobicContact CZ-CE1 4.1Å; F92-F172 HydrophobicContact CZ-CZ 4.46Å; M97-F172 HydrophobicContact CE-CD2 3.96Å; M97-F172 HydrophobicContact CE-CE2 3.65Å; M97-F172 HydrophobicContact CE-CZ 3.95Å; I142-F172 HydrophobicContact CG2-CE1 4.3Å; I142-F172 HydrophobicContact CG2-CZ 3.65Å; Y146-F172 HydrophobicContact CD1-CD1 4.22Å; Y146-F172 HydrophobicContact CD1-CE1 4.33Å; Y146-F172 AromaticContact CD2-CD1 3.6Å; Y146-F172 HydrophobicContact CD2-CD1 3.6Å; Y146-F172 AromaticContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CD2-CE1 3.98Å; Y146-F172 HydrophobicContact CE1-CD1 4.46Å; Y146-F172 AromaticContact CE2-CD1 3.85Å; Y146-F172 HydrophobicContact CE2-CD1 3.85Å; Y146-F172 AromaticContact CG-CD1 3.78Å; Y146-F172 HydrophobicContact CG-CD1 3.78Å; Y146-F172 AromaticContact CG-CE1 3.78Å; Y146-F172 HydrophobicContact CG-CE1 3.78Å; V157-F172 HydrophobicContact CG1-CD1 4.35Å; V157-F172 HydrophobicContact CG1-CE1 4.15Å; V157-F172 HydrophobicContact CG2-CD1 3.75Å; V157-F172 HydrophobicContact CG2-CE1 4.22Å; V157-F172 HydrophobicContact CG2-CG 4.42Å; V170-F172 HydrophobicContact CB-CE2 3.95Å; V170-F172 HydrophobicContact CB-CZ 4.15Å; V170-F172 HydrophobicContact CG1-CD2 4.46Å; V170-F172 HydrophobicContact CG1-CE1 4.11Å; V170-F172 HydrophobicContact CG1-CE2 3.55Å; V170-F172 HydrophobicContact CG1-CZ 3.35Å; F172-S174 PolarHBondContact O-N 3.32Å; F172-M175 HydrophobicContact CB-CG 4.17Å; F172-M175 WeakPolarHBondContact CB-O 3.4Å; F172-M175 HydrophobicContact CD2-CG 4.17Å; F172-M175 WeakPolarHBondContact CD2-O 3.45Å; F172-M175 HydrophobicContact CG-CG 4.45Å; F172-M175 PolarHBondContact N-O 3.19Å; F172-I177 HydrophobicContact CD2-CD1 4.42Å; F172-I177 HydrophobicContact CD2-CG1 4.34Å; F172-I177 HydrophobicContact CE2-CD1 3.41Å; F172-I177 VanDerWaalsContact CE2-CD1 3.41Å; F172-I177 HydrophobicContact CE2-CG1 3.69Å; F172-I177 HydrophobicContact CZ-CD1 3.92Å | ||
| 173 | G | 87.8 | Confident | 91.9 | Very high | 49 Ų | 49 | 47 Ų | 47 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 89 | -63.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D171 | D171-G173 PolarHBondContact OD1-N 3.26Š|
| 174 | S | 88.9 | Confident | 92.3 | Very high | 55 Ų | 55 | 39.9 Ų | 39.9 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -78.3 | -26 | 178 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | T121 D122 Y123 F172 | T121-S174 VanDerWaalsContact OG1-C 3.29Å; T121-S174 PolarHBondContact OG1-O 3.15Å; T121-S174 VanDerWaalsContact OG1-O 3.06Å; D122-S174 VanDerWaalsContact CB-O 3.29Å; D122-S174 WeakPolarHBondContact CB-O 3.47Å; D122-S174 PolarHBondContact N-O 3.25Å; Y123-S174 PolarHBondContact N-O 3.24Å; F172-S174 PolarHBondContact O-N 3.32Å |
| 175 | M | 92.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 151.9 | 175.3 | 61.1 | 176.8 | 147.6 | 0 | 0 | 110.9 | F92 M97 T121 Y123 F172 | F92-M175 HydrophobicContact CD1-CE 3.17Å; F92-M175 HydrophobicContact CE1-CE 3.21Å; F92-M175 HydrophobicContact CG-CE 4.15Å; F92-M175 HydrophobicContact CZ-CE 4.17Å; F92-M175 WeakPolarHBondContact O-CE 3.28Å; M97-M175 HydrophobicContact CB-CE 4.29Å; M97-M175 HydrophobicContact CB-SD 4Å; M97-M175 HydrophobicContact CE-CE 3.6Å; M97-M175 HydrophobicContact CE-CG 4.34Å; M97-M175 HydrophobicContact CE-SD 3.49Å; M97-M175 WeakPolarHBondContact CE-SD 3.41Å; M97-M175 HydrophobicContact CG-SD 4.12Å; T121-M175 VanDerWaalsContact OG1-CA 3.27Å; T121-M175 WeakPolarHBondContact OG1-CA 3.36Å; T121-M175 PolarHBondContact OG1-N 3.11Å; Y123-M175 VanDerWaalsContact O-CA 3.23Å; Y123-M175 WeakPolarHBondContact O-CA 3.48Å; Y123-M175 WeakPolarHBondContact O-CB 3.49Å; F172-M175 HydrophobicContact CB-CG 4.17Å; F172-M175 WeakPolarHBondContact CB-O 3.4Å; F172-M175 HydrophobicContact CD2-CG 4.17Å; F172-M175 WeakPolarHBondContact CD2-O 3.45Å; F172-M175 HydrophobicContact CG-CG 4.45Å; F172-M175 PolarHBondContact N-O 3.19Å |
| 176 | V | 93.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.4 | 174.8 | 67 | 0 | 0 | 0 | 0 | 109.9 | Y120 T121 Y123 F124 V125 D171 | Y120-V176 HydrophobicContact CE1-CG1 4.19Å; T121-V176 HydrophobicContact CG2-CG1 4Å; Y123-V176 PolarHBondContact O-N 3.12Å; F124-V176 HydrophobicContact CB-CG1 4.43Å; F124-V176 HydrophobicContact CD2-CG1 3.26Å; F124-V176 HydrophobicContact CE2-CG1 3.67Å; F124-V176 HydrophobicContact CG-CG1 4.07Å; V125-V176 PolarHBondContact N-O 3.26Å; D171-V176 HydrophobicContact CB-CG2 4.34Å |
| 177 | I | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.3 | 174.4 | -46.1 | 168.4 | 0 | 0 | 0 | 109.4 | M97 V125 I142 C169 V170 F172 L179 | M97-I177 HydrophobicContact CE-CD1 3.3Å; M97-I177 HydrophobicContact CE-CG1 3.77Å; M97-I177 HydrophobicContact CG-CD1 4.26Å; M97-I177 HydrophobicContact SD-CD1 3.19Å; M97-I177 WeakPolarHBondContact SD-CD1 3.19Å; M97-I177 HydrophobicContact SD-CG1 3.98Å; V125-I177 HydrophobicContact CB-CG1 4.36Å; V125-I177 HydrophobicContact CB-CG2 4.44Å; V125-I177 HydrophobicContact CG1-CG2 4.35Å; V125-I177 CarbonylContact O-C 3.55Å; V125-I177 VanDerWaalsContact O-CA 3.31Å; V125-I177 WeakPolarHBondContact O-CA 3.23Å; I142-I177 HydrophobicContact CD1-CD1 4Å; I142-I177 HydrophobicContact CG2-CD1 3.94Å; C169-I177 CarbonylContact C-O 3.53Å; C169-I177 VanDerWaalsContact CA-O 3.24Å; C169-I177 WeakPolarHBondContact CA-O 3.01Å; V170-I177 PolarHBondContact N-O 2.96Å; V170-I177 PolarHBondContact O-N 2.7Å; F172-I177 HydrophobicContact CD2-CD1 4.42Å; F172-I177 HydrophobicContact CD2-CG1 4.34Å; F172-I177 HydrophobicContact CE2-CD1 3.41Å; F172-I177 VanDerWaalsContact CE2-CD1 3.41Å; F172-I177 HydrophobicContact CE2-CG1 3.69Å; F172-I177 HydrophobicContact CZ-CD1 3.92Å; I177-L179 HydrophobicContact CG2-CD2 3.79Å; I177-L179 HydrophobicContact CG2-CG 3.86Å |
| 178 | H | 95.5 | Very high | 93.1 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 7% | 0.074 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.3 | 165.1 | -67.3 | -94 | 0 | 0 | 0 | 109.4 | F124 V125 I126 G127 W167 | F124-H178 AromaticContact CE1-CD2 3.81Å; F124-H178 AromaticContact CE2-CD2 3.42Å; F124-H178 VanDerWaalsContact CE2-CD2 3.42Å; F124-H178 WeakPolarHBondContact CE2-CD2 3.37Å; F124-H178 AromaticContact CE2-NE2 3.26Å; F124-H178 VanDerWaalsContact CE2-NE2 3.26Å; F124-H178 WeakPolarHBondContact CE2-NE2 3.35Å; F124-H178 AromaticContact CZ-CD2 3.12Å; F124-H178 WeakPolarHBondContact CZ-CD2 3.33Å; F124-H178 AromaticContact CZ-CG 3.96Å; F124-H178 AromaticContact CZ-NE2 3.32Å; F124-H178 VanDerWaalsContact CZ-NE2 3.32Å; F124-H178 WeakPolarHBondContact CZ-NE2 3.31Å; V125-H178 PolarHBondContact O-N 3.25Å; I126-H178 WeakPolarHBondContact CA-O 3.32Å; G127-H178 PolarHBondContact N-O 2.95Å; W167-H178 AromaticContact CE2-ND1 3.57Å; W167-H178 AromaticContact CZ2-CE1 3.93Å; W167-H178 AromaticContact CZ2-ND1 3.41Å; W167-H178 WeakPolarHBondContact CZ2-ND1 3.27Å; W167-H178 AromaticContact NE1-CG 3.86Å; W167-H178 AromaticContact NE1-ND1 3.17Å; W167-H178 PolarHBondContact NE1-ND1 3.21Å; W167-H178 VanDerWaalsContact NE1-ND1 3.17Å |
| 179 | L | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.1 | 176.4 | -64.7 | 178.1 | 0 | 0 | 0 | 108.3 | L101 G127 L135 M138 A139 I142 M168 I177 | L101-L179 HydrophobicContact CD2-CD2 4.03Å; G127-L179 WeakPolarHBondContact O-CA 3.12Å; L135-L179 HydrophobicContact CD2-CB 3.9Å; M138-L179 HydrophobicContact CB-CD1 4.38Å; M138-L179 HydrophobicContact CG-CD1 4.26Å; M138-L179 HydrophobicContact SD-CD1 4.22Å; M138-L179 HydrophobicContact SD-CD2 3.69Å; A139-L179 HydrophobicContact CB-CD1 3.89Å; I142-L179 HydrophobicContact CD1-CD1 4.48Å; M168-L179 PolarHBondContact N-O 3.37Å; M168-L179 PolarHBondContact O-N 3.34Å; I177-L179 HydrophobicContact CG2-CD2 3.79Å; I177-L179 HydrophobicContact CG2-CG 3.86Å |
| 180 | M | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 164.5 | -176.4 | 55.4 | 179.8 | 163.5 | 0 | 0 | 112.9 | I126 G127 S128 G129 D166 W167 T184 R185 L190 | I126-M180 HydrophobicContact CG2-CE 3.34Å; G127-M180 PolarHBondContact O-N 3Å; G127-M180 VanDerWaalsContact O-N 3.09Å; S128-M180 VanDerWaalsContact CA-O 3.23Å; S128-M180 WeakPolarHBondContact CA-O 3.42Å; G129-M180 PolarHBondContact N-O 2.88Å; D166-M180 VanDerWaalsContact O-CA 3.29Å; D166-M180 WeakPolarHBondContact O-CA 3.34Å; W167-M180 HydrophobicContact CB-CB 4.42Å; W167-M180 HydrophobicContact CG-CB 4.4Å; M180-T184 HydrophobicContact CB-CG2 4.3Å; M180-T184 HydrophobicContact SD-CG2 4.41Å; M180-R185 HydrophobicContact CE-CB 3.68Å; M180-R185 HydrophobicContact CE-CG 3.54Å; M180-R185 HydrophobicContact CG-CB 4.19Å; M180-R185 HydrophobicContact SD-CB 3.83Å; M180-R185 HydrophobicContact SD-CG 4.36Å; M180-L190 HydrophobicContact CE-CD1 4.03Å; M180-L190 HydrophobicContact CE-CG 4.43Å; M180-L190 HydrophobicContact SD-CD1 4.45Å |
| 181 | L | 95.3 | Very high | 92.7 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | trans | -69.9 | 153.2 | 169.6 | -68.9 | 176.4 | 0 | 0 | 0 | 110.8 | T132 L135 D166 E183 T184 R185 | T132-L181 HydrophobicContact CG2-CD1 4.15Å; L135-L181 HydrophobicContact CD1-CD2 3.96Å; L135-L181 HydrophobicContact CD1-CG 3.94Å; D166-L181 HydrophobicContact CB-CD1 4.29Å; D166-L181 PolarHBondContact O-N 3.21Å; L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.12Å; L181-T184 WeakPolarHBondContact O-CB 3.37Å; L181-T184 PolarHBondContact O-N 2.88Å; L181-R185 PolarHBondContact O-N 3.42Å | ||
| 182 | P | 94.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 45% | 0.448 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 178.1 | 23.9 | -34.1 | 0 | 0 | 0 | 112.3 | G129 R185 E186 | G129-P182 WeakPolarHBondContact O-CD 3.49Å; P182-R185 WeakPolarHBondContact O-CB 3.46Å; P182-R185 PolarHBondContact O-N 2.97Å; P182-E186 PolarHBondContact O-N 3.27Å; P182-E186 VanDerWaalsContact O-N 3.1Å |
| 183 | E | 93.8 | Very high | 92.5 | Very high | 142 Ų | 142 | 49.9 Ų | 49.9 | 66% | 0.664 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.8 | -46.6 | 175.8 | -176.2 | 175.6 | -174.9 | 0 | 0 | 111.7 | L181 R185 E186 I187 | L181-E183 VanDerWaalsContact C-N 3.27Å; L181-E183 PolarHBondContact O-N 3.12Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.1Å; E183-E186 PolarHBondContact O-N 2.88Å; E183-I187 HydrophobicContact CG-CD1 4.35Å; E183-I187 WeakPolarHBondContact O-CG1 3.46Å; E183-I187 PolarHBondContact O-N 2.95Å |
| 184 | T | 93.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.1 | -50 | 0 | 0 | 0 | 0 | 111.7 | M180 L181 E186 I187 Y188 | M180-T184 HydrophobicContact CB-CG2 4.3Å; M180-T184 HydrophobicContact SD-CG2 4.41Å; L181-T184 WeakPolarHBondContact O-CB 3.37Å; L181-T184 PolarHBondContact O-N 2.88Å; T184-E186 VanDerWaalsContact C-N 3.35Å; T184-E186 PolarHBondContact O-N 3.28Å; T184-I187 PolarHBondContact O-N 3.4Å; T184-Y188 HydrophobicContact CG2-CD2 3.54Å; T184-Y188 HydrophobicContact CG2-CE2 3.69Å; T184-Y188 VanDerWaalsContact O-CD2 3.31Å; T184-Y188 WeakPolarHBondContact O-CD2 3.46Å; T184-Y188 PolarHBondContact O-N 3.06Å |
| 185 | R | 94.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 179 | -177.6 | 168.5 | -173.6 | 173.4 | -11.8 | 112.8 | D108 C110 S128 M180 L181 P182 E183 I187 E189 E191 | D108-R185 PolarHBondContact O-NH1 3.19Å; D108-R185 IonicContact OD1-CZ 2.65Å; D108-R185 IonicContact OD1-NH1 3.24Å; D108-R185 IonicContact OD1-NH2 2.69Å; D108-R185 PolarHBondContact OD1-NH2 3.32Å; D108-R185 IonicContact OD2-CZ 3.5Å; D108-R185 VanDerWaalsContact OD2-CZ 3.24Å; D108-R185 IonicContact OD2-NE 3.92Å; D108-R185 IonicContact OD2-NH1 3.51Å; D108-R185 PolarHBondContact OD2-NH1 2.89Å; D108-R185 IonicContact OD2-NH2 2.92Å; D108-R185 PolarHBondContact OD2-NH2 3.09Å; C110-R185 VanDerWaalsContact CB-NH2 3.35Å; S128-R185 VanDerWaalsContact OG-CD 3.28Å; S128-R185 WeakPolarHBondContact OG-CD 3.26Å; S128-R185 PolarHBondContact OG-NH1 3.47Å; M180-R185 HydrophobicContact CE-CB 3.68Å; M180-R185 HydrophobicContact CE-CG 3.54Å; M180-R185 HydrophobicContact CG-CB 4.19Å; M180-R185 HydrophobicContact SD-CB 3.83Å; M180-R185 HydrophobicContact SD-CG 4.36Å; L181-R185 PolarHBondContact O-N 3.42Å; P182-R185 WeakPolarHBondContact O-CB 3.46Å; P182-R185 PolarHBondContact O-N 2.97Å; E183-R185 VanDerWaalsContact C-N 3.28Å; E183-R185 PolarHBondContact O-N 3.1Å; R185-I187 VanDerWaalsContact C-N 3.32Å; R185-E189 WeakPolarHBondContact O-CA 3.45Å; R185-E189 PolarHBondContact O-N 2.93Å; R185-E191 IonicContact CZ-OE1 3.33Å; R185-E191 IonicContact NE-OE1 3.67Å; R185-E191 PolarHBondContact NE-OE1 3.5Å; R185-E191 IonicContact NH2-OE1 3.77Å; R185-E191 PolarHBondContact NH2-OE1 3.48Å; R185-E191 IonicContact NH2-OE2 3.34Å |
| 186 | E | 91.7 | Very high | 92.1 | Very high | 146 Ų | 146 | 54.7 Ų | 54.7 | 68% | 0.682 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.7 | -31.1 | 175.7 | -69.7 | 175 | -166.8 | 0 | 0 | 112.4 | P182 E183 T184 E189 | P182-E186 PolarHBondContact O-N 3.27Å; P182-E186 VanDerWaalsContact O-N 3.1Å; E183-E186 PolarHBondContact O-N 2.88Å; T184-E186 VanDerWaalsContact C-N 3.35Å; T184-E186 PolarHBondContact O-N 3.28Å; E186-E189 WeakPolarHBondContact O-CG 3.35Å |
| 187 | I | 91.9 | Very high | 91.2 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 59% | 0.59 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -75.6 | -45.7 | 178.7 | -65.4 | 164.6 | 0 | 0 | 0 | 111.4 | E183 T184 R185 | E183-I187 HydrophobicContact CG-CD1 4.35Å; E183-I187 WeakPolarHBondContact O-CG1 3.46Å; E183-I187 PolarHBondContact O-N 2.95Å; T184-I187 PolarHBondContact O-N 3.4Å; R185-I187 VanDerWaalsContact C-N 3.32Å |
| 188 | Y | 90.4 | Very high | 90 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -90.2 | -18.9 | -174.1 | -73.4 | -79.1 | 0 | 0 | 0 | 114 | T184 L190 | T184-Y188 HydrophobicContact CG2-CD2 3.54Å; T184-Y188 HydrophobicContact CG2-CE2 3.69Å; T184-Y188 VanDerWaalsContact O-CD2 3.31Å; T184-Y188 WeakPolarHBondContact O-CD2 3.46Å; T184-Y188 PolarHBondContact O-N 3.06Å; Y188-L190 PolarHBondContact O-N 3.44Å |
| 189 | E | 91.7 | Very high | 89 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | trans | 41.9 | 41.8 | 176.3 | -55.6 | -165.7 | 128 | 0 | 0 | 114.5 | R185 E186 E191 K192 L193 Q202 | R185-E189 WeakPolarHBondContact O-CA 3.45Å; R185-E189 PolarHBondContact O-N 2.93Å; E186-E189 WeakPolarHBondContact O-CG 3.35Å; E189-E191 PolarHBondContact O-N 2.93Å; E189-K192 HydrophobicContact CB-CD 4.27Å; E189-K192 HydrophobicContact CB-CG 4.47Å; E189-K192 PolarHBondContact O-N 3.07Å; E189-K192 IonicContact OE1-NZ 2.71Å; E189-K192 PolarHBondContact OE1-NZ 3.36Å; E189-K192 WeakPolarHBondContact OE2-CE 3.36Å; E189-K192 IonicContact OE2-NZ 2.73Å; E189-K192 PolarHBondContact OE2-NZ 2.89Å; E189-L193 PolarHBondContact O-N 2.99Å; E189-Q202 PolarHBondContact OE2-NE2 2.81Å | ||
| 190 | L | 91.5 | Very high | 87.9 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -54.7 | -29.4 | -172.3 | -65.6 | 179.9 | 0 | 0 | 0 | 113 | I126 W167 M180 Y188 K192 L193 W194 | I126-L190 HydrophobicContact CD1-CB 4.06Å; W167-L190 HydrophobicContact CZ2-CD1 4.07Å; M180-L190 HydrophobicContact CE-CD1 4.03Å; M180-L190 HydrophobicContact CE-CG 4.43Å; M180-L190 HydrophobicContact SD-CD1 4.45Å; Y188-L190 PolarHBondContact O-N 3.44Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 3.28Å; L190-L193 HydrophobicContact CD2-CD2 4.14Å; L190-L193 PolarHBondContact O-N 2.85Å; L190-W194 PolarHBondContact O-N 2.72Å |
| 191 | E | 91.8 | Very high | 86.6 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 175.5 | -67.1 | 174.1 | -126 | 0 | 0 | 112.8 | C110 I126 R185 E189 T195 | C110-E191 HydrophobicContact CB-CG 4.32Å; I126-E191 HydrophobicContact CD1-CG 3.58Å; R185-E191 IonicContact CZ-OE1 3.33Å; R185-E191 IonicContact NE-OE1 3.67Å; R185-E191 PolarHBondContact NE-OE1 3.5Å; R185-E191 IonicContact NH2-OE1 3.77Å; R185-E191 PolarHBondContact NH2-OE1 3.48Å; R185-E191 IonicContact NH2-OE2 3.34Å; E189-E191 PolarHBondContact O-N 2.93Å; E191-T195 WeakPolarHBondContact O-CB 3.24Å; E191-T195 VanDerWaalsContact O-CG2 3.26Å; E191-T195 WeakPolarHBondContact O-CG2 3.37Å; E191-T195 PolarHBondContact O-N 3.41Å; E191-T195 VanDerWaalsContact O-N 3.08Å; E191-T195 PolarHBondContact O-OG1 3.2Å |
| 192 | K | 89.6 | Confident | 85.2 | Confident | 85 Ų | 85 | 81.9 Ų | 81.9 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.7 | -44.2 | 178.2 | -63.9 | -176.5 | -168.2 | 165.1 | 0 | 110.4 | E189 L190 W194 T195 L196 | E189-K192 HydrophobicContact CB-CD 4.27Å; E189-K192 HydrophobicContact CB-CG 4.47Å; E189-K192 PolarHBondContact O-N 3.07Å; E189-K192 IonicContact OE1-NZ 2.71Å; E189-K192 PolarHBondContact OE1-NZ 3.36Å; E189-K192 WeakPolarHBondContact OE2-CE 3.36Å; E189-K192 IonicContact OE2-NZ 2.73Å; E189-K192 PolarHBondContact OE2-NZ 2.89Å; L190-K192 VanDerWaalsContact C-N 3.32Å; L190-K192 PolarHBondContact O-N 3.28Å; K192-W194 VanDerWaalsContact C-N 3.3Å; K192-W194 PolarHBondContact O-N 3.2Å; K192-T195 PolarHBondContact O-N 3.14Å; K192-T195 PolarHBondContact O-OG1 3.43Å; K192-L196 HydrophobicContact CB-CD1 4.47Å; K192-L196 WeakPolarHBondContact O-CB 3.24Å; K192-L196 PolarHBondContact O-N 3.09Å |
| 193 | L | 87.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 82 Ų | 82 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.6 | -46.5 | 178.3 | 177.9 | 64.3 | 0 | 0 | 0 | 111.9 | E189 L190 R197 L203 | E189-L193 PolarHBondContact O-N 2.99Å; L190-L193 HydrophobicContact CD2-CD2 4.14Å; L190-L193 PolarHBondContact O-N 2.85Å; L193-R197 WeakPolarHBondContact O-CA 3.23Å; L193-R197 WeakPolarHBondContact O-CD 3.25Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.22Å; L193-L203 HydrophobicContact CD1-CD1 3.79Å; L193-L203 HydrophobicContact CD1-CD2 4.28Å; L193-L203 HydrophobicContact CD1-CG 4.44Å |
| 194 | W | 89.2 | Confident | 82.2 | Confident | 43 Ų | 43 | 79.5 Ų | 79.5 | 16% | 0.163 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -84.3 | -20.7 | -175 | -73.7 | 95.5 | 0 | 0 | 0 | 114.1 | I112 V114 M118 Y120 F124 L190 K192 R197 | I112-W194 HydrophobicContact CD1-CB 3.94Å; V114-W194 HydrophobicContact CG2-CE3 4.38Å; M118-W194 HydrophobicContact SD-CE3 4.42Å; M118-W194 HydrophobicContact SD-CZ3 3.9Å; Y120-W194 AromaticContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CH2 3.31Å; Y120-W194 HydrophobicContact CD1-CZ2 4.28Å; Y120-W194 AromaticContact CD1-CZ3 3.74Å; Y120-W194 HydrophobicContact CD1-CZ3 3.74Å; Y120-W194 AromaticContact CE1-CH2 3.44Å; Y120-W194 HydrophobicContact CE1-CH2 3.44Å; Y120-W194 VanDerWaalsContact CE1-CH2 3.44Å; Y120-W194 AromaticContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ2 3.96Å; Y120-W194 HydrophobicContact CE1-CZ3 4.22Å; Y120-W194 HydrophobicContact CG-CH2 4.09Å; F124-W194 HydrophobicContact CD1-CG 4.27Å; F124-W194 HydrophobicContact CD2-CD2 4.13Å; F124-W194 AromaticContact CD2-CE2 3.94Å; F124-W194 HydrophobicContact CD2-CE3 4.45Å; F124-W194 HydrophobicContact CD2-CH2 4.47Å; F124-W194 HydrophobicContact CD2-CZ2 4.14Å; F124-W194 AromaticContact CE1-CD1 3.66Å; F124-W194 HydrophobicContact CE1-CG 4.24Å; F124-W194 AromaticContact CE1-NE1 3.77Å; F124-W194 HydrophobicContact CE2-CD2 4.18Å; F124-W194 AromaticContact CE2-CE2 3.54Å; F124-W194 HydrophobicContact CE2-CH2 4.42Å; F124-W194 AromaticContact CE2-CZ2 3.7Å; F124-W194 HydrophobicContact CE2-CZ2 3.7Å; F124-W194 AromaticContact CE2-NE1 3.58Å; F124-W194 HydrophobicContact CG-CD2 4.36Å; F124-W194 HydrophobicContact CG-CG 4.45Å; F124-W194 AromaticContact CZ-CD1 3.71Å; F124-W194 HydrophobicContact CZ-CD2 4.42Å; F124-W194 AromaticContact CZ-CE2 3.79Å; F124-W194 HydrophobicContact CZ-CG 4.41Å; F124-W194 HydrophobicContact CZ-CZ2 4.32Å; F124-W194 AromaticContact CZ-NE1 3.3Å; F124-W194 VanDerWaalsContact CZ-NE1 3.3Å; L190-W194 PolarHBondContact O-N 2.72Å; K192-W194 VanDerWaalsContact C-N 3.3Å; K192-W194 PolarHBondContact O-N 3.2Å; W194-R197 VanDerWaalsContact CE3-NH2 3.34Å |
| 195 | T | 87.9 | Confident | 80.8 | Confident | 86 Ų | 86 | 86.2 Ų | 86.2 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -94.6 | -43.4 | 177.8 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | I112 E191 K192 | I112-T195 HydrophobicContact CD1-CG2 4.1Å; I112-T195 HydrophobicContact CG1-CG2 4.32Å; I112-T195 HydrophobicContact CG2-CG2 4.3Å; E191-T195 WeakPolarHBondContact O-CB 3.24Å; E191-T195 VanDerWaalsContact O-CG2 3.26Å; E191-T195 WeakPolarHBondContact O-CG2 3.37Å; E191-T195 PolarHBondContact O-N 3.41Å; E191-T195 VanDerWaalsContact O-N 3.08Å; E191-T195 PolarHBondContact O-OG1 3.2Å; K192-T195 PolarHBondContact O-N 3.14Å; K192-T195 PolarHBondContact O-OG1 3.43Å |
| 196 | L | 84.7 | Confident | 79.6 | Confident | 79 Ų | 79 | 91.2 Ų | 91.2 | 41% | 0.414 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -95.4 | -24.5 | -172.7 | -63.2 | 178.3 | 0 | 0 | 0 | 113.2 | K192 S198 Y199 | K192-L196 HydrophobicContact CB-CD1 4.47Å; K192-L196 WeakPolarHBondContact O-CB 3.24Å; K192-L196 PolarHBondContact O-N 3.09Å; L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.27Å; L196-Y199 WeakPolarHBondContact O-CD2 3.38Å; L196-Y199 PolarHBondContact O-N 2.82Å |
| 197 | R | 73.9 | Confident | 78.1 | Confident | 88 Ų | 88 | 87.6 Ų | 87.6 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | -79 | 174.2 | -76.9 | -69.8 | -160.2 | -165.8 | 5.1 | 115.4 | M118 L193 W194 L203 | M118-R197 VanDerWaalsContact CE-CZ 3.47Å; M118-R197 PolarHBondContact SD-NH2 3.18Å; L193-R197 WeakPolarHBondContact O-CA 3.23Å; L193-R197 WeakPolarHBondContact O-CD 3.25Å; L193-R197 WeakPolarHBondContact O-CG 3.41Å; L193-R197 PolarHBondContact O-N 3.22Å; W194-R197 VanDerWaalsContact CE3-NH2 3.34Å; R197-L203 WeakPolarHBondContact O-CD1 3.46Å |
| 198 | S | 71.5 | Confident | 76.7 | Confident | 98 Ų | 98 | 87.7 Ų | 87.7 | 69% | 0.685 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.3 | 179.5 | 53.6 | 0 | 0 | 0 | 0 | 115.2 | L196 | L196-S198 VanDerWaalsContact C-N 3.32Å; L196-S198 PolarHBondContact O-N 3.27Å |
| 199 | Y | 73.4 | Confident | 75.4 | Confident | 188 Ų | 188 | 90.4 Ų | 90.4 | 74% | 0.737 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -104.3 | 10.9 | -174 | -60.6 | -77.9 | 0 | 0 | 0 | 113.4 | L196 | L196-Y199 WeakPolarHBondContact O-CD2 3.38Å; L196-Y199 PolarHBondContact O-N 2.82Å |
| 200 | D | 72 | Confident | 74.1 | Confident | 21 Ų | 21 | 93.8 Ų | 93.8 | 11% | 0.112 | 50% | 0.5 | C | S | . | . | trans | -86.3 | 118.2 | 177.7 | -163.6 | -17.9 | 0 | 0 | 0 | 110.8 | Q202 L203 A204 | D200-Q202 PolarHBondContact O-N 3.15Å; D200-Q202 PolarHBondContact OD1-N 2.86Å; D200-L203 HydrophobicContact CB-CB 4.37Å; D200-L203 HydrophobicContact CB-CD1 4.09Å; D200-L203 HydrophobicContact CB-CG 4.19Å; D200-L203 PolarHBondContact O-N 3.36Å; D200-L203 VanDerWaalsContact O-N 3.12Å; D200-A204 PolarHBondContact O-N 2.92Å | ||
| 201 | D | 69 | Low | 72.8 | Confident | 122 Ų | 122 | 98.3 Ų | 98.3 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -26.8 | 177.7 | -66.4 | -36.8 | 0 | 0 | 0 | 112.2 | Q205 | D201-Q205 VanDerWaalsContact O-CG 3.28Å; D201-Q205 WeakPolarHBondContact O-CG 3.45Å; D201-Q205 PolarHBondContact O-N 3.31Å; D201-Q205 PolarHBondContact O-NE2 2.99Å |
| 202 | Q | 65.5 | Low | 71.9 | Confident | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 176 | -66.5 | -176.3 | 2.1 | 0 | 0 | 111.9 | E189 D200 A204 Q205 I206 | E189-Q202 PolarHBondContact OE2-NE2 2.81Å; D200-Q202 PolarHBondContact O-N 3.15Å; D200-Q202 PolarHBondContact OD1-N 2.86Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-Q205 PolarHBondContact O-N 2.89Å; Q202-I206 PolarHBondContact O-N 3.13Å |
| 203 | L | 61.3 | Low | 70.7 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 38% | 0.382 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.6 | -33.9 | 176.4 | -71.2 | 175.4 | 0 | 0 | 0 | 111.7 | L193 R197 D200 Q205 I206 | L193-L203 HydrophobicContact CD1-CD1 3.79Å; L193-L203 HydrophobicContact CD1-CD2 4.28Å; L193-L203 HydrophobicContact CD1-CG 4.44Å; R197-L203 WeakPolarHBondContact O-CD1 3.46Å; D200-L203 HydrophobicContact CB-CB 4.37Å; D200-L203 HydrophobicContact CB-CD1 4.09Å; D200-L203 HydrophobicContact CB-CG 4.19Å; D200-L203 PolarHBondContact O-N 3.36Å; D200-L203 VanDerWaalsContact O-N 3.12Å; L203-Q205 PolarHBondContact O-N 3.01Å; L203-I206 HydrophobicContact CD2-CD1 4.36Å; L203-I206 PolarHBondContact O-N 3.44Å |
| 204 | A | 63.4 | Low | 69.4 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 73% | 0.727 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.4 | -21.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | D200 Q202 | D200-A204 PolarHBondContact O-N 2.92Å; Q202-A204 VanDerWaalsContact C-N 3.34Å |
| 205 | Q | 65 | Low | 68.1 | Low | 156 Ų | 156 | 113.8 Ų | 113.8 | 73% | 0.729 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -95.6 | -16 | -179.1 | -70.2 | 171.2 | 33.7 | 0 | 0 | 114.1 | D201 Q202 L203 A207 | D201-Q205 VanDerWaalsContact O-CG 3.28Å; D201-Q205 WeakPolarHBondContact O-CG 3.45Å; D201-Q205 PolarHBondContact O-N 3.31Å; D201-Q205 PolarHBondContact O-NE2 2.99Å; Q202-Q205 PolarHBondContact O-N 2.89Å; L203-Q205 PolarHBondContact O-N 3.01Å; Q205-A207 PolarHBondContact O-N 3.18Å |
| 206 | I | 67.6 | Low | 67.1 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -70.1 | 104.1 | 169.3 | -72.5 | 167.2 | 0 | 0 | 0 | 106.6 | Q202 L203 | Q202-I206 PolarHBondContact O-N 3.13Å; L203-I206 HydrophobicContact CD2-CD1 4.36Å; L203-I206 PolarHBondContact O-N 3.44Å |
| 207 | A | 60.4 | Low | 66.1 | Low | 70 Ų | 70 | 120 Ų | 120 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | trans | -53.5 | 132.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q205 E209 | Q205-A207 PolarHBondContact O-N 3.18Å; A207-E209 VanDerWaalsContact C-N 3.29Å; A207-E209 PolarHBondContact O-N 3.21Å | ||
| 208 | P | 63.2 | Low | 65.2 | Low | 116 Ų | 116 | 119 Ų | 119 | 75% | 0.753 | 66% | 0.657 | S | S | * | * | trans | -61.6 | 101.6 | 171.4 | 25.4 | -30.8 | 0 | 0 | 0 | 106.1 | T210 | P208-T210 VanDerWaalsContact C-N 3.27Å; P208-T210 PolarHBondContact O-N 3.04Å | ||
| 209 | E | 62.1 | Low | 64.3 | Low | 187 Ų | 187 | 121 Ų | 121 | 87% | 0.874 | 66% | 0.659 | S | S | * | * | trans | -62.5 | 101.5 | 169.2 | -74.2 | -159.5 | 166.9 | 0 | 0 | 105.6 | A207 V211 | A207-E209 VanDerWaalsContact C-N 3.29Å; A207-E209 PolarHBondContact O-N 3.21Å; E209-V211 PolarHBondContact O-N 3.01Å | ||
| 210 | T | 64.3 | Low | 63.2 | Low | 123 Ų | 123 | 121 Ų | 121 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | -62 | 107.5 | 172.3 | 51.6 | 0 | 0 | 0 | 0 | 105.9 | P208 P212 | P208-T210 VanDerWaalsContact C-N 3.27Å; P208-T210 PolarHBondContact O-N 3.04Å; T210-P212 WeakPolarHBondContact O-CD 3.29Å | ||
| 211 | V | 64.3 | Low | 62.4 | Low | 109 Ų | 109 | 128.6 Ų | 128.6 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | trans | -53.3 | 125.2 | 170.1 | -144.8 | 0 | 0 | 0 | 0 | 106.3 | E209 E213 F215 | E209-V211 PolarHBondContact O-N 3.01Å; V211-E213 PolarHBondContact O-N 3.27Å; V211-F215 HydrophobicContact CG1-CB 3.98Å; V211-F215 HydrophobicContact CG1-CG 4.47Å | ||
| 212 | P | 73.5 | Confident | 61.7 | Low | 81 Ų | 81 | 129.4 Ų | 129.4 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | trans | -53.1 | 139 | 176.9 | -26.2 | 34.3 | 0 | 0 | 0 | 109.9 | T210 D214 F215 | T210-P212 WeakPolarHBondContact O-CD 3.29Å; P212-D214 PolarHBondContact O-N 2.83Å; P212-F215 PolarHBondContact O-N 2.7Å | ||
| 213 | E | 63.8 | Low | 60.7 | Low | 173 Ų | 173 | 131.2 Ų | 131.2 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -56.3 | -25.3 | -176.4 | -62.6 | -175.4 | 173.2 | 0 | 0 | 112 | V211 F215 I216 | V211-E213 PolarHBondContact O-N 3.27Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.48Å; E213-I216 PolarHBondContact O-N 3.35Å |
| 214 | D | 61.6 | Low | 60.4 | Low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -66.5 | -14.9 | 176.1 | -56.8 | -22.9 | 0 | 0 | 0 | 115.1 | P212 | P212-D214 PolarHBondContact O-N 2.83Š|
| 215 | F | 61.8 | Low | 60.1 | Low | 161 Ų | 161 | 135.6 Ų | 135.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -85.3 | -10 | 176.9 | -113.8 | -91.7 | 0 | 0 | 0 | 113.3 | V211 P212 E213 L217 | V211-F215 HydrophobicContact CG1-CB 3.98Å; V211-F215 HydrophobicContact CG1-CG 4.47Å; P212-F215 PolarHBondContact O-N 2.7Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.48Å; F215-L217 VanDerWaalsContact C-N 3.27Å; F215-L217 PolarHBondContact O-N 3Å |
| 216 | I | 66.8 | Low | 59.4 | Low | 127 Ų | 127 | 133.2 Ų | 133.2 | 65% | 0.651 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -76.5 | 84.8 | 169.8 | -54.3 | 179.3 | 0 | 0 | 0 | 107.1 | E213 G218 | E213-I216 PolarHBondContact O-N 3.35Å; I216-G218 PolarHBondContact O-N 3.17Å |
| 217 | L | 62.8 | Low | 58.5 | Low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 101.9 | 175.1 | -75.6 | 166.2 | 0 | 0 | 0 | 110.2 | F215 | F215-L217 VanDerWaalsContact C-N 3.27Å; F215-L217 PolarHBondContact O-N 3Å |
| 218 | G | 55.6 | Low | 57.9 | Low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.3 | 43.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118 | I216 | I216-G218 PolarHBondContact O-N 3.17Š|
| 219 | I | 52.1 | Low | 57.1 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -117.4 | 90.7 | 143.2 | -47.5 | 176.9 | 0 | 0 | 0 | 105.8 | E221 | I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 HydrophobicContact CG2-CG 4.33Å; I219-E221 PolarHBondContact O-N 2.67Å | ||
| 220 | E | 50.9 | Low | 56.6 | Low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -63.1 | 99.2 | 163.2 | -66.9 | 177 | 163.3 | 0 | 0 | 106.6 | D222 | E220-D222 PolarHBondContact O-N 3.2Å; E220-D222 VanDerWaalsContact O-N 3.15Å | ||
| 221 | E | 56.2 | Low | 55.9 | Low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | -77.5 | 82.4 | 161 | -71 | -171.5 | 168.6 | 0 | 0 | 107.7 | I219 | I219-E221 VanDerWaalsContact C-N 3.31Å; I219-E221 HydrophobicContact CG2-CG 4.33Å; I219-E221 PolarHBondContact O-N 2.67Å | ||
| 222 | D | 54.4 | Low | 54.7 | Low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | -113.3 | 98.5 | 157.7 | -142 | 2.5 | 0 | 0 | 0 | 107.7 | E220 | E220-D222 PolarHBondContact O-N 3.2Å; E220-D222 VanDerWaalsContact O-N 3.15Å | ||
| 223 | D | 43.5 | Very low | 53.1 | Low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 152.1 | 90.1 | 135.7 | -78.7 | -34.4 | 0 | 0 | 0 | 110.9 | S225 | D223-S225 PolarHBondContact O-N 2.77Š| ||
| 224 | T | 55.7 | Low | 52 | Low | 151 Ų | 151 | 142.9 Ų | 142.9 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -46.7 | 103.4 | 144.6 | 22.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 225 | S | 56.6 | Low | 51.4 | Low | 102 Ų | 102 | 147.7 Ų | 147.7 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -154.1 | 130.4 | 138.3 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | D223 | D223-S225 PolarHBondContact O-N 2.77Š| ||
| 226 | S | 49.9 | Very low | 50.9 | Low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 77.3 | 74.4 | 172.7 | 73.3 | 0 | 0 | 0 | 0 | 117.7 | T228 | S226-T228 PolarHBondContact O-N 2.75Š| ||
| 227 | V | 49.7 | Very low | 50 | Low | 141 Ų | 141 | 148.1 Ų | 148.1 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -56.1 | 117.1 | 143.1 | -170.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 228 | T | 47.7 | Very low | 49.3 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 66% | 0.663 | 81% | 0.809 | S | S | * | * | trans | -114 | 127.4 | 152 | 53.5 | 0 | 0 | 0 | 0 | 107.4 | S226 V230 | S226-T228 PolarHBondContact O-N 2.75Å; T228-V230 PolarHBondContact O-N 3.08Å | ||
| 229 | P | 46.1 | Very low | 49 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 114.2 | 174.6 | -13.2 | 27.8 | 0 | 0 | 0 | 108.6 | E231 | P229-E231 PolarHBondContact O-N 3.02Š| ||
| 230 | V | 51.5 | Low | 48.8 | Very low | 117 Ų | 117 | 152.3 Ų | 152.3 | 71% | 0.709 | 82% | 0.822 | S | S | * | * | trans | -78.6 | 102.4 | 165.2 | -177.1 | 0 | 0 | 0 | 0 | 106.6 | T228 F232 | T228-V230 PolarHBondContact O-N 3.08Å; V230-F232 PolarHBondContact O-N 3.05Å; V230-F232 VanDerWaalsContact O-N 3.12Å | ||
| 231 | E | 49.2 | Very low | 48.6 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -58.5 | 111.4 | 169.9 | -88.9 | -171.5 | 130.9 | 0 | 0 | 109.6 | P229 K233 | P229-E231 PolarHBondContact O-N 3.02Å; E231-K233 PolarHBondContact O-N 3.14Å | ||
| 232 | F | 39.7 | Very low | 48.1 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -77.8 | 99.3 | 163.5 | -97.7 | -93.6 | 0 | 0 | 0 | 108.7 | V230 | V230-F232 PolarHBondContact O-N 3.05Å; V230-F232 VanDerWaalsContact O-N 3.12Å | ||
| 233 | K | 38.8 | Very low | 47.6 | Very low | 185 Ų | 185 | 148.4 Ų | 148.4 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -83.3 | 114.4 | 166.1 | -163.7 | 156.2 | -177.7 | 171.9 | 0 | 108.4 | E231 | E231-K233 PolarHBondContact O-N 3.14Š| ||
| 234 | C | 41.4 | Very low | 47.9 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -86.4 | 117.3 | 174.3 | -152.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 235 | E | 49 | Very low | 47.2 | Very low | 251 Ų | 251 | 149.2 Ų | 149.2 | 100% | 1.173 | 82% | 0.821 | S | S | * | * | trans | -123 | 0 | 160.2 | -101.8 | -178.5 | 112.8 | 0 | 0 | 108.4 |
Retrieved 235 of 235 residues in 536.3 ms
(Link to these results)