| 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 | 52.6 | Low | 53.1 | Low | 238 Ų | 238 | 132.7 Ų | 132.7 | 100% | 1.172 | 86% | 0.855 | S | S | * | * | 0 | 126.4 | 0 | -68.2 | 168.6 | 83.9 | 0 | 0 | 107.6 | |||||
| 2 | S | 48.8 | Very low | 52.7 | Low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | trans | 65 | 106.1 | 161.7 | -50.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 3 | S | 55.2 | Low | 53 | Low | 128 Ų | 128 | 142.3 Ų | 142.3 | 90% | 0.895 | 86% | 0.861 | S | S | * | * | 74 | 131.5 | 82.2 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 4 | G | 50.6 | Low | 52.8 | Low | 62 Ų | 62 | 150.2 Ų | 150.2 | 64% | 0.639 | 87% | 0.868 | S | S | * | * | cis | 174.4 | 147.4 | 6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 5 | T | 54 | Low | 53.1 | Low | 148 Ų | 148 | 145.9 Ų | 145.9 | 91% | 0.908 | 87% | 0.868 | S | S | * | * | 47.9 | 118.3 | 129.7 | 59.8 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 6 | G | 54.1 | Low | 53.1 | Low | 71 Ų | 71 | 152.8 Ų | 152.8 | 73% | 0.732 | 88% | 0.875 | S | S | * | * | 112.1 | 155.5 | 95.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 7 | T | 55.3 | Low | 52.7 | Low | 150 Ų | 150 | 148.5 Ų | 148.5 | 92% | 0.92 | 87% | 0.872 | S | S | * | * | cis | -176.2 | 154.7 | 2.6 | 35.6 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 8 | G | 55.5 | Low | 52.6 | Low | 82 Ų | 82 | 144.1 Ų | 144.1 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | trans | 168.6 | 91.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 9 | R | 50.3 | Low | 52.6 | Low | 239 Ų | 239 | 141.8 Ų | 141.8 | 90% | 0.902 | 86% | 0.855 | S | S | * | * | trans | -64 | 156.9 | 167.9 | -75.2 | 160.5 | 129.2 | -137.8 | 2.5 | 112.8 | ||||
| 10 | S | 57.6 | Low | 52.5 | Low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | 174.8 | 142.7 | 108.9 | -76.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 11 | S | 50.6 | Low | 52.4 | Low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 85% | 0.849 | S | S | * | * | trans | -91.8 | 149.4 | -172.1 | -50.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 12 | T | 47.9 | Very low | 52.5 | Low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 83% | 0.832 | S | S | * | * | trans | 28.3 | 128.4 | 141.1 | 57.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 13 | R | 56.8 | Low | 52.6 | Low | 255 Ų | 255 | 143.9 Ų | 143.9 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | -142.3 | 137.4 | 142.4 | -104.7 | -178.1 | -173.2 | -124 | 1.2 | 112.2 | ||||
| 14 | R | 49.4 | Very low | 52.5 | Low | 253 Ų | 253 | 145.6 Ų | 145.6 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | trans | -77.2 | 147.1 | 178.1 | -65.7 | 173 | 171.9 | -127.2 | -0 | 111.4 | ||||
| 15 | G | 58.4 | Low | 52.2 | Low | 85 Ų | 85 | 151 Ų | 151 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | trans | -125.2 | 130 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 16 | R | 52.2 | Low | 52.3 | Low | 256 Ų | 256 | 149.2 Ų | 149.2 | 97% | 0.966 | 83% | 0.825 | S | S | * | * | trans | -125.3 | 138.8 | -170.1 | 168.6 | -179.7 | 141.8 | -174.9 | -4.9 | 108.1 | ||||
| 17 | G | 46.6 | Very low | 52.3 | Low | 81 Ų | 81 | 151.3 Ų | 151.3 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | 118.5 | 124.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 18 | G | 51.3 | Low | 52.2 | Low | 69 Ų | 69 | 150.5 Ų | 150.5 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | 163.8 | 84 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 19 | S | 52.2 | Low | 52.5 | Low | 101 Ų | 101 | 152 Ų | 152 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -94.8 | 133.6 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 20 | F | 50.5 | Low | 52.2 | Low | 195 Ų | 195 | 148.4 Ų | 148.4 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -141.4 | 114.9 | 154.3 | -8.7 | -83.9 | 0 | 0 | 0 | 108.4 | ||||
| 21 | T | 49.7 | Very low | 52 | Low | 118 Ų | 118 | 149.7 Ų | 149.7 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -95.2 | 144.7 | 166.7 | 48.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 22 | L | 55.1 | Low | 51.8 | Low | 156 Ų | 156 | 147.2 Ų | 147.2 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | 157.4 | 133.7 | 161.6 | -88.1 | 155.4 | 0 | 0 | 0 | 105.6 | ||||
| 23 | R | 52.3 | Low | 51.9 | Low | 205 Ų | 205 | 146.2 Ų | 146.2 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | cis | -175 | 139.9 | -10.3 | -127.4 | -172.5 | -176.5 | -169.7 | 0.4 | 104.4 | ||||
| 24 | H | 52.3 | Low | 51.8 | Low | 164 Ų | 164 | 140.9 Ų | 140.9 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 65.8 | 118.9 | 155.2 | -65.1 | -72.3 | 0 | 0 | 0 | 122.5 | ||||
| 25 | Q | 44 | Very low | 52.1 | Low | 175 Ų | 175 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -67.4 | 162.3 | 155.4 | -98.2 | -176.7 | -21.9 | 0 | 0 | 112.7 | ||||
| 26 | P | 57.1 | Low | 52.1 | Low | 111 Ų | 111 | 140.8 Ų | 140.8 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | -138.7 | 167.1 | 97.6 | 30.3 | -11.6 | 0 | 0 | 0 | 113.8 | |||||
| 27 | P | 53.2 | Low | 52 | Low | 116 Ų | 116 | 140.2 Ų | 140.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -79.5 | 131.4 | -169.2 | 32.6 | -32.7 | 0 | 0 | 0 | 111.3 | ||||
| 28 | V | 54.2 | Low | 52.2 | Low | 133 Ų | 133 | 141.3 Ų | 141.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -103.6 | 103.1 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 29 | V | 60.4 | Low | 52 | Low | 112 Ų | 112 | 146.4 Ų | 146.4 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -2 | 135.7 | 156.7 | -64.2 | 0 | 0 | 0 | 0 | 119.5 | I31 | V29-I31 HydrophobicContact CG2-CD1 4.47Å; V29-I31 PolarHBondContact O-N 3.26Å | ||
| 30 | D | 45.1 | Very low | 52 | Low | 164 Ų | 164 | 148.3 Ų | 148.3 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | -52 | 123.9 | 161.3 | -103.9 | -67.8 | 0 | 0 | 0 | 111.9 | ||||
| 31 | I | 52.3 | Low | 51.9 | Low | 150 Ų | 150 | 148.3 Ų | 148.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -110.1 | 87 | 155.6 | -61.4 | 98.2 | 0 | 0 | 0 | 107 | V29 C33 | V29-I31 HydrophobicContact CG2-CD1 4.47Å; V29-I31 PolarHBondContact O-N 3.26Å; I31-C33 PolarHBondContact O-N 2.83Å | ||
| 32 | G | 47.4 | Very low | 51.6 | Low | 57 Ų | 57 | 147.9 Ų | 147.9 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | -58.5 | 133.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N34 | G32-N34 PolarHBondContact O-N 3.46Š| ||
| 33 | C | 49.5 | Very low | 51.2 | Low | 114 Ų | 114 | 146.8 Ų | 146.8 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -75.9 | 109.5 | 169.2 | -164.6 | 0 | 0 | 0 | 0 | 109.1 | I31 C35 | I31-C33 PolarHBondContact O-N 2.83Å; C33-C35 VanDerWaalsContact C-N 3.25Å; C33-C35 PolarHBondContact O-N 3.41Å; C33-C35 VanDerWaalsContact O-N 3.09Å; C33-C35 PolarHBondContact SG-SG 3.09Å | ||
| 34 | N | 54.9 | Low | 50.9 | Low | 144 Ų | 144 | 146.3 Ų | 146.3 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -86.4 | 55 | -174.3 | -142 | -32.6 | 0 | 0 | 0 | 111.2 | G32 R36 | G32-N34 PolarHBondContact O-N 3.46Å; N34-R36 PolarHBondContact O-N 3.5Å | ||
| 35 | C | 56.2 | Low | 50.2 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | -76.7 | 62.4 | 177 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | C33 | C33-C35 VanDerWaalsContact C-N 3.25Å; C33-C35 PolarHBondContact O-N 3.41Å; C33-C35 VanDerWaalsContact O-N 3.09Å; C33-C35 PolarHBondContact SG-SG 3.09Å | ||
| 36 | R | 58.7 | Low | 50.1 | Low | 220 Ų | 220 | 139.4 Ų | 139.4 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -116.4 | 101.9 | 159.5 | -78.5 | -169.4 | -173 | -134.4 | 2.8 | 108.5 | N34 | N34-R36 PolarHBondContact O-N 3.5Š| ||
| 37 | R | 50.2 | Low | 49.4 | Very low | 243 Ų | 243 | 138.4 Ų | 138.4 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | 155.4 | 151.8 | 106.9 | -103.8 | -173.8 | 151.6 | -168.6 | -3 | 112.5 | |||||
| 38 | P | 49.7 | Very low | 49.2 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | trans | -96.6 | 158.5 | -168.8 | 38.6 | -32.3 | 0 | 0 | 0 | 112.7 | ||||
| 39 | K | 46.8 | Very low | 48.8 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 169 | 123.6 | 129.5 | -96.8 | -169.4 | 173.5 | 85.3 | 0 | 112.5 | |||||
| 40 | L | 52.4 | Low | 48 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 67.5 | 100.6 | 134.9 | -56.6 | 176.2 | 0 | 0 | 0 | 121.4 | ||||
| 41 | F | 48.6 | Very low | 47.7 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -163 | 103.5 | 130.4 | 2.8 | -100.6 | 0 | 0 | 0 | 107.1 | ||||
| 42 | S | 43 | Very low | 47.1 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | 49.2 | 89.7 | 86.3 | 179.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 43 | V | 48 | Very low | 46.8 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -147.4 | 97.5 | 138.6 | -118 | 0 | 0 | 0 | 0 | 108.9 | S45 | V43-S45 PolarHBondContact O-N 2.99Š| ||
| 44 | F | 44.6 | Very low | 46.9 | Very low | 195 Ų | 195 | 148.5 Ų | 148.5 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -68.1 | 111.6 | 152.6 | -83.4 | -93.8 | 0 | 0 | 0 | 106.9 | ||||
| 45 | S | 38.7 | Very low | 46.6 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -99 | 74.8 | 161.1 | -69.8 | 0 | 0 | 0 | 0 | 108.2 | V43 S47 | V43-S45 PolarHBondContact O-N 2.99Å; S45-S47 PolarHBondContact O-N 3.46Å | ||
| 46 | S | 40.7 | Very low | 46 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 65% | 0.65 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 92.1 | 160.9 | 46.1 | 0 | 0 | 0 | 0 | 108.1 | L48 | S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.39Å | ||
| 47 | S | 43.4 | Very low | 45.7 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | trans | -75.5 | 78.8 | 171.7 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | S45 F49 | S45-S47 PolarHBondContact O-N 3.46Å; S47-F49 VanDerWaalsContact C-N 3.27Å; S47-F49 PolarHBondContact O-N 3.06Å | ||
| 48 | L | 47.5 | Very low | 45.7 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -71.5 | 86.6 | 159.8 | -87.7 | 152.6 | 0 | 0 | 0 | 108 | S46 R50 | S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.39Å; L48-R50 PolarHBondContact O-N 3.25Å | ||
| 49 | F | 47 | Very low | 45.4 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -84.1 | 107.4 | 163.5 | -78.5 | -73.2 | 0 | 0 | 0 | 109.4 | S47 | S47-F49 VanDerWaalsContact C-N 3.27Å; S47-F49 PolarHBondContact O-N 3.06Å | ||
| 50 | R | 42.4 | Very low | 45.2 | Very low | 251 Ų | 251 | 138.7 Ų | 138.7 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | trans | -110 | 106.7 | 167.8 | -156.2 | 174.5 | -169.2 | -114.2 | 3.5 | 106.7 | L48 | L48-R50 PolarHBondContact O-N 3.25Š| ||
| 51 | G | 38.8 | Very low | 44.8 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 152.7 | 120.8 | 178 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 52 | G | 40.2 | Very low | 44.4 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | cis | 108.3 | 84.3 | 33.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | G | 41.2 | Very low | 44.4 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 151.9 | 109.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 54 | K | 52.1 | Low | 44 | Very low | 205 Ų | 205 | 132.3 Ų | 132.3 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -93.4 | 165.6 | 170.8 | -106.7 | 168.5 | 173.5 | 172 | 0 | 108.9 | ||||
| 55 | P | 48.2 | Very low | 44.1 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -152.6 | 164.7 | 46.2 | 38.7 | -16 | 0 | 0 | 0 | 120.3 | ||||
| 56 | K | 43.6 | Very low | 44.6 | Very low | 209 Ų | 209 | 122.1 Ų | 122.1 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | trans | 51.6 | 112.1 | 143.8 | -73.2 | 176.7 | 173.4 | 176.6 | 0 | 121.4 | ||||
| 57 | S | 52.9 | Low | 45.1 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -139.9 | 140.6 | 136 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 58 | P | 49.9 | Very low | 45.7 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -90.6 | 154 | -173.9 | 35.6 | -30.9 | 0 | 0 | 0 | 112.7 | ||||
| 59 | N | 42.9 | Very low | 46.4 | Very low | 154 Ų | 154 | 110.1 Ų | 110.1 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | trans | 77.4 | 93.5 | 155.1 | -152.4 | 17.6 | 0 | 0 | 0 | 117.6 | ||||
| 60 | A | 43.6 | Very low | 46.5 | Very low | 90 Ų | 90 | 102.2 Ų | 102.2 | 74% | 0.744 | 64% | 0.636 | S | S | * | * | trans | -144.6 | 113.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S62 | A60-S62 PolarHBondContact O-N 2.95Š| ||
| 61 | S | 42.6 | Very low | 46.8 | Very low | 105 Ų | 105 | 93.1 Ų | 93.1 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | trans | -51.9 | 108.1 | 173.7 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | T63 | S61-T63 PolarHBondContact O-N 3Š| ||
| 62 | S | 41.8 | Very low | 47.2 | Very low | 116 Ų | 116 | 93.4 Ų | 93.4 | 81% | 0.811 | 60% | 0.601 | S | S | * | * | trans | -64.6 | 99.5 | 175 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | A60 S64 | A60-S62 PolarHBondContact O-N 2.95Å; S62-S64 PolarHBondContact O-N 3.11Å | ||
| 63 | T | 42.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 95.7 Ų | 95.7 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | trans | -82.4 | 95.1 | 172.5 | -58 | 0 | 0 | 0 | 0 | 107.6 | S61 T65 | S61-T63 PolarHBondContact O-N 3Å; T63-T65 PolarHBondContact O-N 2.8Å; T63-T65 PolarHBondContact O-OG1 3.23Å; T63-T65 VanDerWaalsContact O-OG1 3.08Å | ||
| 64 | S | 39.8 | Very low | 47.7 | Very low | 112 Ų | 112 | 96.3 Ų | 96.3 | 78% | 0.783 | 59% | 0.594 | S | S | * | * | trans | -56.4 | 110.9 | 171.9 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | S62 | S62-S64 PolarHBondContact O-N 3.11Š| ||
| 65 | T | 45.9 | Very low | 47.1 | Very low | 48 Ų | 48 | 90.7 Ų | 90.7 | 29% | 0.294 | 60% | 0.595 | S | S | . | * | trans | -121.8 | 115 | 178.7 | -40.2 | 0 | 0 | 0 | 0 | 109.7 | T63 T67 H220 | T63-T65 PolarHBondContact O-N 2.8Å; T63-T65 PolarHBondContact O-OG1 3.23Å; T63-T65 VanDerWaalsContact O-OG1 3.08Å; T65-T67 PolarHBondContact O-N 3.33Å; T65-H220 VanDerWaalsContact CG2-CE1 3.43Å; T65-H220 WeakPolarHBondContact CG2-CE1 3.34Å; T65-H220 WeakPolarHBondContact CG2-NE2 3.43Å | ||
| 66 | T | 48.6 | Very low | 46.6 | Very low | 35 Ų | 35 | 89.3 Ų | 89.3 | 22% | 0.215 | 60% | 0.602 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 110.8 | 177.5 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | R126 A176 D178 | T66-R126 PolarHBondContact OG1-NH2 3.48Å; T66-A176 HydrophobicContact CG2-CB 3.34Å; T66-D178 VanDerWaalsContact CA-OD1 3.23Å; T66-D178 WeakPolarHBondContact CA-OD1 3.46Å; T66-D178 VanDerWaalsContact CB-OD1 3.27Å; T66-D178 WeakPolarHBondContact CB-OD1 3.44Å; T66-D178 PolarHBondContact OG1-OD1 3.34Å |
| 67 | T | 52.7 | Low | 46.3 | Very low | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.025 | 60% | 0.602 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 148.7 | 175.2 | 52.4 | 0 | 0 | 0 | 0 | 109.5 | T65 A176 V177 P182 F186 | T65-T67 PolarHBondContact O-N 3.33Å; T67-A176 CarbonylContact O-C 3.37Å; T67-A176 WeakPolarHBondContact O-CA 3.17Å; T67-V177 PolarHBondContact N-O 3.36Å; T67-V177 PolarHBondContact O-N 2.89Å; T67-V177 PolarHBondContact OG1-O 2.95Å; T67-V177 VanDerWaalsContact OG1-O 3.04Å; T67-P182 HydrophobicContact CG2-CB 4.05Å; T67-F186 HydrophobicContact CG2-CE1 4.45Å; T67-F186 HydrophobicContact CG2-CE2 3.95Å; T67-F186 HydrophobicContact CG2-CZ 3.56Å |
| 68 | A | 55.4 | Low | 45.5 | Very low | 23 Ų | 23 | 90.5 Ų | 90.5 | 19% | 0.19 | 60% | 0.599 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A174 V175 N216 | A68-A174 HydrophobicContact CB-CB 3.94Å; A68-V175 CarbonylContact C-O 3.38Å; A68-V175 WeakPolarHBondContact CA-O 3.48Å; A68-N216 PolarHBondContact N-OD1 2.97Å |
| 69 | F | 61 | Low | 44.8 | Very low | 61 Ų | 61 | 96.8 Ų | 96.8 | 27% | 0.268 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 162.9 | 174.9 | 66.5 | -73.5 | 0 | 0 | 0 | 110.7 | A71 V175 V177 | F69-A71 HydrophobicContact CE2-CB 4.18Å; F69-V175 HydrophobicContact CD1-CB 4.05Å; F69-V175 HydrophobicContact CD1-CG1 4.39Å; F69-V175 WeakPolarHBondContact CD1-O 3.29Å; F69-V175 HydrophobicContact CD2-CB 4.37Å; F69-V175 HydrophobicContact CE1-CB 3.53Å; F69-V175 HydrophobicContact CE1-CG1 3.4Å; F69-V175 VanDerWaalsContact CE1-CG1 3.4Å; F69-V175 WeakPolarHBondContact CE1-O 3.41Å; F69-V175 HydrophobicContact CE2-CB 4.01Å; F69-V175 HydrophobicContact CE2-CG1 4.09Å; F69-V175 HydrophobicContact CG-CB 4.41Å; F69-V175 HydrophobicContact CZ-CB 3.58Å; F69-V175 HydrophobicContact CZ-CG1 3.28Å; F69-V175 HydrophobicContact CZ-CG2 4.5Å; F69-V175 PolarHBondContact N-O 3.38Å; F69-V175 WeakPolarHBondContact O-CA 3.5Å; F69-V175 WeakPolarHBondContact O-CB 3.37Å; F69-V175 PolarHBondContact O-N 2.87Å; F69-V177 HydrophobicContact CD1-CB 3.39Å; F69-V177 HydrophobicContact CD1-CG2 3.59Å; F69-V177 HydrophobicContact CE1-CB 3.18Å; F69-V177 HydrophobicContact CE1-CG1 4.5Å; F69-V177 HydrophobicContact CE1-CG2 2.88Å; F69-V177 HydrophobicContact CE2-CG2 4.35Å; F69-V177 HydrophobicContact CZ-CB 4.1Å; F69-V177 HydrophobicContact CZ-CG2 3.3Å |
| 70 | T | 51.2 | Low | 44.6 | Very low | 27 Ų | 27 | 95.1 Ų | 95.1 | 17% | 0.166 | 61% | 0.608 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.3 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | S172 V173 | T70-S172 VanDerWaalsContact CG2-CB 3.47Å; T70-V173 VanDerWaalsContact CA-O 3.29Å; T70-V173 WeakPolarHBondContact CA-O 3.42Å; T70-V173 WeakPolarHBondContact CG2-O 3.42Å |
| 71 | A | 48.6 | Very low | 44.7 | Very low | 61 Ų | 61 | 94.8 Ų | 94.8 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | trans | -105.7 | 119.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | F69 V175 | F69-A71 HydrophobicContact CE2-CB 4.18Å; A71-V175 HydrophobicContact CB-CG2 4.46Å | ||
| 72 | T | 47.1 | Very low | 44.8 | Very low | 81 Ų | 81 | 96.1 Ų | 96.1 | 50% | 0.497 | 62% | 0.617 | S | S | . | * | trans | -88.2 | 129.6 | 168 | -44.7 | 0 | 0 | 0 | 0 | 109.5 | E196 | T72-E196 WeakPolarHBondContact CB-OE1 3.1Å; T72-E196 WeakPolarHBondContact CG2-OE1 3.36Å; T72-E196 PolarHBondContact OG1-OE1 2.97Å; T72-E196 PolarHBondContact OG1-OE2 2.95Å | ||
| 73 | T | 46.1 | Very low | 45.5 | Very low | 139 Ų | 139 | 96.9 Ų | 96.9 | 85% | 0.853 | 62% | 0.617 | S | S | * | * | trans | -98.8 | 106 | 178.1 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 74 | A | 45.5 | Very low | 45.7 | Very low | 96 Ų | 96 | 98.1 Ų | 98.1 | 79% | 0.793 | 63% | 0.625 | S | S | * | * | trans | -127.3 | 113.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 75 | G | 39.1 | Very low | 45.7 | Very low | 88 Ų | 88 | 97 Ų | 97 | 91% | 0.907 | 62% | 0.622 | S | S | * | * | trans | -78.5 | 141.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 76 | G | 37.2 | Very low | 45.6 | Very low | 85 Ų | 85 | 101.7 Ų | 101.7 | 88% | 0.876 | 65% | 0.651 | S | S | * | * | trans | -167.2 | 127.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 77 | R | 38 | Very low | 45.4 | Very low | 243 Ų | 243 | 105.1 Ų | 105.1 | 92% | 0.917 | 68% | 0.676 | S | S | * | * | trans | -103.9 | 137.6 | -163.2 | -163.3 | 177.3 | -167.8 | -146.9 | 4.2 | 111.9 | ||||
| 78 | S | 34.7 | Very low | 45.2 | Very low | 107 Ų | 107 | 110.8 Ų | 110.8 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | 9.8 | 137.2 | 156.7 | -46.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 79 | R | 36.7 | Very low | 44.5 | Very low | 247 Ų | 247 | 116.9 Ų | 116.9 | 93% | 0.932 | 74% | 0.74 | S | S | * | * | -175.3 | 132.5 | 120.4 | -115.8 | 169.3 | 74.1 | 132.5 | -4.1 | 114.9 | |||||
| 80 | S | 38.6 | Very low | 43.7 | Very low | 120 Ų | 120 | 119 Ų | 119 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -78.3 | 153.3 | 170.7 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 81 | G | 44.4 | Very low | 43.6 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -150.3 | 125.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 82 | T | 45.2 | Very low | 43.2 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -101.4 | 137.9 | -176.3 | -54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 83 | T | 57.1 | Low | 43.7 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -163.2 | 117.2 | 149.4 | 41.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 84 | T | 46.4 | Very low | 43.6 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | 87.6 | 124.8 | 86.3 | -40.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 85 | A | 39.9 | Very low | 43.5 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | trans | -81.8 | 161.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 86 | T | 44.7 | Very low | 43.8 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | trans | -145 | 132.7 | 151.5 | 27.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 87 | S | 42.9 | Very low | 44.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -90.3 | 162 | -170.3 | -42.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 88 | T | 49.6 | Very low | 45.1 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | 146.9 | 106.2 | 139.7 | 48.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 89 | D | 41.3 | Very low | 45.7 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | 68.6 | 129.3 | 95.9 | -78.6 | -30.7 | 0 | 0 | 0 | 112 | |||||
| 90 | S | 42.6 | Very low | 46 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | cis | -163.3 | 149.9 | 17.7 | -62.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 91 | S | 48.9 | Very low | 46.7 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | 166.2 | 106 | 128.2 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 92 | S | 42.2 | Very low | 47.1 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -20.2 | 140.1 | 156 | -177.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 93 | W | 57.3 | Low | 47.2 | Very low | 256 Ų | 256 | 130.4 Ų | 130.4 | 97% | 0.97 | 82% | 0.815 | S | S | * | * | -163.2 | 130.2 | 113.4 | -75.1 | -0.3 | 0 | 0 | 0 | 107.8 | |||||
| 94 | G | 42.4 | Very low | 46.5 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -91.2 | 175.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 95 | P | 44.5 | Very low | 46.8 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -103.7 | 153.1 | -171.2 | 38 | -29.5 | 0 | 0 | 0 | 114.1 | ||||
| 96 | A | 44.8 | Very low | 47.1 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -109.6 | 129.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 97 | S | 47.7 | Very low | 47.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -91.4 | 144 | 175.3 | 61.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 98 | F | 55 | Low | 48.2 | Very low | 203 Ų | 203 | 138.7 Ų | 138.7 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -133.7 | 152.4 | 151.1 | 66.8 | -91.9 | 0 | 0 | 0 | 110.8 | ||||
| 99 | V | 47.1 | Very low | 48.1 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -94.8 | 143.5 | -152.5 | -164 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 100 | A | 43.5 | Very low | 48.5 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -93.3 | 136.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 101 | T | 53.4 | Low | 48.9 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -136.1 | 102.5 | 160 | 55 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 102 | N | 52.6 | Low | 49.2 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -116.2 | 117.3 | 162.2 | -105.7 | -6.2 | 0 | 0 | 0 | 108.3 | ||||
| 103 | S | 47.8 | Very low | 49.9 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -91 | 127.3 | 179 | 175 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 104 | L | 41.2 | Very low | 49.8 | Very low | 146 Ų | 146 | 127.9 Ų | 127.9 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 53.5 | 139.3 | 138.5 | -84.9 | 146.9 | 0 | 0 | 0 | 122.4 | ||||
| 105 | Y | 53.1 | Low | 50.5 | Low | 199 Ų | 199 | 127.9 Ų | 127.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 114.1 | 169.5 | -96.4 | -111.7 | 0 | 0 | 0 | 114.1 | ||||
| 106 | E | 47.4 | Very low | 51.3 | Low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | -167.2 | 166.1 | 51.6 | -90.9 | -93.1 | 115.1 | 0 | 0 | 112.1 | |||||
| 107 | E | 53.7 | Low | 52.2 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -47.9 | 160.2 | -175.4 | -100.3 | -153.5 | 105.2 | 0 | 0 | 120.7 | V109 | E107-V109 PolarHBondContact O-N 3.12Š| ||
| 108 | P | 55.8 | Low | 53 | Low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -84.1 | 110.2 | 174.2 | 34.1 | -29.1 | 0 | 0 | 0 | 112.3 | A110 | P108-A110 PolarHBondContact O-N 2.95Š| ||
| 109 | V | 48.8 | Very low | 53.6 | Low | 144 Ų | 144 | 128 Ų | 128 | 87% | 0.873 | 74% | 0.742 | S | S | * | * | trans | -70.5 | 125 | 169.9 | -75.7 | 0 | 0 | 0 | 0 | 111.6 | E107 A111 | E107-V109 PolarHBondContact O-N 3.12Å; V109-A111 PolarHBondContact O-N 3.19Å | ||
| 110 | A | 48.8 | Very low | 55.1 | Low | 93 Ų | 93 | 128.6 Ų | 128.6 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -48.9 | 127.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P108 A112 | P108-A110 PolarHBondContact O-N 2.95Å; A110-A112 PolarHBondContact O-N 3.29Å | ||
| 111 | A | 50.7 | Low | 56.7 | Low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 73% | 0.728 | S | S | * | * | trans | -59.4 | 105.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | V109 V113 | V109-A111 PolarHBondContact O-N 3.19Å; A111-V113 PolarHBondContact O-N 3.47Å | ||
| 112 | A | 55 | Low | 57.7 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | -61.3 | 100.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A110 A114 | A110-A112 PolarHBondContact O-N 3.29Å; A112-A114 PolarHBondContact O-N 2.8Å | ||
| 113 | V | 56.8 | Low | 59.1 | Low | 138 Ų | 138 | 125.8 Ų | 125.8 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 116.4 | 165.2 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | A111 | A111-V113 PolarHBondContact O-N 3.47Š|
| 114 | A | 55.1 | Low | 60.6 | Low | 55 Ų | 55 | 123 Ų | 123 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 139.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A112 | A112-A114 PolarHBondContact O-N 2.8Š|
| 115 | P | 57.8 | Low | 62.7 | Low | 73 Ų | 73 | 124.5 Ų | 124.5 | 47% | 0.474 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -61 | 139.9 | -174.2 | 21.6 | -30.8 | 0 | 0 | 0 | 111.6 | Q117 E118 | P115-Q117 PolarHBondContact O-N 2.92Å; P115-E118 PolarHBondContact O-N 3.29Å |
| 116 | P | 62.3 | Low | 64 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -53.3 | -27.6 | -175.2 | -26.2 | 32 | 0 | 0 | 0 | 114.9 | E118 R119 E120 | P116-E118 PolarHBondContact O-N 2.96Å; P116-R119 PolarHBondContact O-N 3.44Å; P116-E120 PolarHBondContact O-N 3.42Å |
| 117 | Q | 62.3 | Low | 65.9 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68 | -32.6 | -174.1 | -67.5 | -174.7 | -28.2 | 0 | 0 | 113.8 | P115 Q121 | P115-Q117 PolarHBondContact O-N 2.92Å; Q117-Q121 PolarHBondContact O-N 3.35Å |
| 118 | E | 64.6 | Low | 67.4 | Low | 111 Ų | 111 | 121.5 Ų | 121.5 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76 | -34.6 | -179.5 | -67.2 | -170.9 | 143.2 | 0 | 0 | 112 | P115 P116 E120 Q121 Q122 | P115-E118 PolarHBondContact O-N 3.29Å; P116-E118 PolarHBondContact O-N 2.96Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.84Å; E118-Q121 PolarHBondContact O-N 3.23Å; E118-Q122 WeakPolarHBondContact O-CG 3.12Å; E118-Q122 PolarHBondContact O-N 3.46Å |
| 119 | R | 68.1 | Low | 68.6 | Low | 190 Ų | 190 | 124 Ų | 124 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.4 | -41.4 | 175 | -78.2 | -164.7 | 169.7 | -152.4 | -2.1 | 111.6 | P116 Q122 E123 | P116-R119 PolarHBondContact O-N 3.44Å; R119-Q122 PolarHBondContact O-N 2.89Å; R119-E123 PolarHBondContact O-N 3.48Å |
| 120 | E | 77.7 | Confident | 70.3 | Confident | 147 Ų | 147 | 122.9 Ų | 122.9 | 69% | 0.687 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.1 | -41.4 | 178.5 | -165 | 177.1 | 142.5 | 0 | 0 | 112 | P116 E118 Q122 E123 A124 | P116-E120 PolarHBondContact O-N 3.42Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.84Å; E120-Q122 PolarHBondContact O-N 3.25Å; E120-E123 PolarHBondContact O-N 3.48Å; E120-A124 WeakPolarHBondContact O-CB 3.17Å; E120-A124 PolarHBondContact O-N 3.46Å |
| 121 | Q | 77.9 | Confident | 72.1 | Confident | 127 Ų | 127 | 124 Ų | 124 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64 | -39.5 | 175.1 | -72 | -173.5 | 21.9 | 0 | 0 | 112.5 | Q117 E118 R125 | Q117-Q121 PolarHBondContact O-N 3.35Å; E118-Q121 PolarHBondContact O-N 3.23Å; Q121-R125 WeakPolarHBondContact O-CB 3.17Å; Q121-R125 WeakPolarHBondContact O-CG 3.29Å; Q121-R125 PolarHBondContact O-N 2.92Å |
| 122 | Q | 75.1 | Confident | 73.7 | Confident | 117 Ų | 117 | 125.2 Ų | 125.2 | 55% | 0.547 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.8 | -42.5 | 175.5 | -72.1 | -179.1 | 19.2 | 0 | 0 | 111.4 | E118 R119 E120 R125 R126 | E118-Q122 WeakPolarHBondContact O-CG 3.12Å; E118-Q122 PolarHBondContact O-N 3.46Å; R119-Q122 PolarHBondContact O-N 2.89Å; E120-Q122 PolarHBondContact O-N 3.25Å; Q122-R125 PolarHBondContact O-N 2.88Å; Q122-R126 WeakPolarHBondContact O-CG 3.15Å; Q122-R126 PolarHBondContact O-N 3.41Å |
| 123 | E | 80.3 | Confident | 74.8 | Confident | 97 Ų | 97 | 126.6 Ų | 126.6 | 45% | 0.453 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.2 | -42.4 | 177.4 | -162.3 | -177.2 | 150.7 | 0 | 0 | 111.9 | R119 E120 R125 R126 R127 | R119-E123 PolarHBondContact O-N 3.48Å; E120-E123 PolarHBondContact O-N 3.48Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.32Å; E123-R126 WeakPolarHBondContact O-CB 3.39Å; E123-R126 PolarHBondContact O-N 2.93Å; E123-R126 VanDerWaalsContact O-N 3.09Å; E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 2.93Å; E123-R127 IonicContact OE1-CZ 3.68Å; E123-R127 IonicContact OE1-NE 2.77Å; E123-R127 PolarHBondContact OE1-NE 2.59Å; E123-R127 VanDerWaalsContact OE1-NE 3.07Å; E123-R127 IonicContact OE1-NH2 2.82Å; E123-R127 PolarHBondContact OE1-NH2 2.96Å |
| 124 | A | 81.1 | Confident | 75.9 | Confident | 46 Ų | 46 | 129.5 Ų | 129.5 | 38% | 0.38 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.4 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E120 R127 R128 | E120-A124 WeakPolarHBondContact O-CB 3.17Å; E120-A124 PolarHBondContact O-N 3.46Å; A124-R127 PolarHBondContact O-N 3.17Å; A124-R128 WeakPolarHBondContact O-CG 3.25Å; A124-R128 PolarHBondContact O-N 2.84Å |
| 125 | R | 83.9 | Confident | 77 | Confident | 177 Ų | 177 | 134.5 Ų | 134.5 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -41.1 | 173.2 | -76.8 | 177.8 | 171.2 | -138.3 | -1.5 | 111.9 | Q121 Q122 E123 R129 | Q121-R125 WeakPolarHBondContact O-CB 3.17Å; Q121-R125 WeakPolarHBondContact O-CG 3.29Å; Q121-R125 PolarHBondContact O-N 2.92Å; Q122-R125 PolarHBondContact O-N 2.88Å; E123-R125 VanDerWaalsContact C-N 3.3Å; E123-R125 PolarHBondContact O-N 3.32Å; R125-R129 WeakPolarHBondContact O-CG 3.19Å; R125-R129 PolarHBondContact O-N 3.16Å; R125-R129 VanDerWaalsContact O-N 3.17Å |
| 126 | R | 81.8 | Confident | 77.9 | Confident | 119 Ų | 119 | 140.4 Ų | 140.4 | 45% | 0.449 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.3 | -46.3 | 175 | -74 | 179.5 | -177.8 | -107.2 | 2.9 | 111.8 | T66 Q122 E123 R128 R129 Q130 | T66-R126 PolarHBondContact OG1-NH2 3.48Å; Q122-R126 WeakPolarHBondContact O-CG 3.15Å; Q122-R126 PolarHBondContact O-N 3.41Å; E123-R126 WeakPolarHBondContact O-CB 3.39Å; E123-R126 PolarHBondContact O-N 2.93Å; E123-R126 VanDerWaalsContact O-N 3.09Å; R126-R128 PolarHBondContact O-N 3.31Å; R126-R129 PolarHBondContact O-N 2.96Å; R126-R129 VanDerWaalsContact O-N 3.15Å; R126-Q130 PolarHBondContact O-N 2.54Å |
| 127 | R | 85.8 | Confident | 78.4 | Confident | 161 Ų | 161 | 144.9 Ų | 144.9 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -58.9 | -44.5 | 177.3 | -71.6 | 178.6 | -179.8 | -126.1 | 3.1 | 111.8 | E123 A124 R129 Q130 Q131 | E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 2.93Å; E123-R127 IonicContact OE1-CZ 3.68Å; E123-R127 IonicContact OE1-NE 2.77Å; E123-R127 PolarHBondContact OE1-NE 2.59Å; E123-R127 VanDerWaalsContact OE1-NE 3.07Å; E123-R127 IonicContact OE1-NH2 2.82Å; E123-R127 PolarHBondContact OE1-NH2 2.96Å; A124-R127 PolarHBondContact O-N 3.17Å; R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 3.25Å; R127-Q130 PolarHBondContact O-N 3.48Å; R127-Q131 WeakPolarHBondContact O-CB 3.46Å; R127-Q131 PolarHBondContact O-N 3.43Å |
| 128 | R | 86.5 | Confident | 78.9 | Confident | 181 Ų | 181 | 142 Ų | 142 | 68% | 0.683 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59.2 | -42.3 | 174.8 | -76.5 | -175.8 | 177.1 | -147.1 | 0.8 | 112.4 | A124 R126 Q131 Q132 | A124-R128 WeakPolarHBondContact O-CG 3.25Å; A124-R128 PolarHBondContact O-N 2.84Å; R126-R128 PolarHBondContact O-N 3.31Å; R128-Q131 PolarHBondContact O-N 3.15Å; R128-Q132 WeakPolarHBondContact O-CG 3.4Å; R128-Q132 PolarHBondContact O-N 2.82Å |
| 129 | R | 81.2 | Confident | 79 | Confident | 167 Ų | 167 | 147.2 Ų | 147.2 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.1 | -45 | 178 | -72.3 | 179.3 | 178.5 | -158.7 | -0.1 | 112.4 | R125 R126 R127 Q131 Q132 Q133 | R125-R129 WeakPolarHBondContact O-CG 3.19Å; R125-R129 PolarHBondContact O-N 3.16Å; R125-R129 VanDerWaalsContact O-N 3.17Å; R126-R129 PolarHBondContact O-N 2.96Å; R126-R129 VanDerWaalsContact O-N 3.15Å; R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 3.25Å; R129-Q131 VanDerWaalsContact C-N 3.3Å; R129-Q131 PolarHBondContact O-N 3.33Å; R129-Q132 PolarHBondContact O-N 3.49Å; R129-Q133 PolarHBondContact O-N 3.31Å |
| 130 | Q | 83.8 | Confident | 78.6 | Confident | 121 Ų | 121 | 149.2 Ų | 149.2 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.2 | -40.1 | 176 | -71 | -178.3 | 14.1 | 0 | 0 | 111.6 | R126 R127 Q133 R134 | R126-Q130 PolarHBondContact O-N 2.54Å; R127-Q130 PolarHBondContact O-N 3.48Å; Q130-Q133 PolarHBondContact O-N 2.95Å; Q130-R134 WeakPolarHBondContact O-CG 3.32Å; Q130-R134 PolarHBondContact O-N 3.49Å |
| 131 | Q | 86.6 | Confident | 77.8 | Confident | 116 Ų | 116 | 145.1 Ų | 145.1 | 54% | 0.542 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -39 | 176.4 | -162.5 | 178.1 | 34.9 | 0 | 0 | 112.1 | R127 R128 R129 R134 R135 | R127-Q131 WeakPolarHBondContact O-CB 3.46Å; R127-Q131 PolarHBondContact O-N 3.43Å; R128-Q131 PolarHBondContact O-N 3.15Å; R129-Q131 VanDerWaalsContact C-N 3.3Å; R129-Q131 PolarHBondContact O-N 3.33Å; Q131-R134 PolarHBondContact O-N 3.25Å; Q131-R135 WeakPolarHBondContact O-CG 3.42Å; Q131-R135 PolarHBondContact O-N 2.88Å |
| 132 | Q | 83.5 | Confident | 77 | Confident | 121 Ų | 121 | 144.9 Ų | 144.9 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 174 | -73.6 | 177.6 | 15.7 | 0 | 0 | 112.2 | R128 R129 R135 R136 | R128-Q132 WeakPolarHBondContact O-CG 3.4Å; R128-Q132 PolarHBondContact O-N 2.82Å; R129-Q132 PolarHBondContact O-N 3.49Å; Q132-R135 PolarHBondContact O-N 3.4Å; Q132-R136 WeakPolarHBondContact O-CG 3.23Å; Q132-R136 PolarHBondContact O-N 3.5Å |
| 133 | Q | 78.8 | Confident | 76.3 | Confident | 132 Ų | 132 | 143.5 Ų | 143.5 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.9 | -43.3 | 175.2 | -80.1 | -178.4 | -13.2 | 0 | 0 | 112.1 | R129 Q130 R135 R136 R137 | R129-Q133 PolarHBondContact O-N 3.31Å; Q130-Q133 PolarHBondContact O-N 2.95Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 3.38Å; Q133-R136 PolarHBondContact O-N 2.93Å; Q133-R137 PolarHBondContact O-N 3.14Å |
| 134 | R | 79.9 | Confident | 75.3 | Confident | 198 Ų | 198 | 144.7 Ų | 144.7 | 75% | 0.747 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -59.3 | -43.2 | 174 | -76.8 | -176.6 | 171.7 | -125.1 | 0.7 | 112 | Q130 Q131 R137 S138 | Q130-R134 WeakPolarHBondContact O-CG 3.32Å; Q130-R134 PolarHBondContact O-N 3.49Å; Q131-R134 PolarHBondContact O-N 3.25Å; R134-R137 PolarHBondContact O-N 3.06Å; R134-S138 WeakPolarHBondContact O-CB 3.28Å; R134-S138 PolarHBondContact O-N 2.77Å |
| 135 | R | 78.6 | Confident | 73.9 | Confident | 160 Ų | 160 | 147.3 Ų | 147.3 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.4 | -40.1 | 175.4 | -76.4 | -177.1 | 170.6 | -157.8 | -2.2 | 112.6 | Q131 Q132 Q133 S138 R139 | Q131-R135 WeakPolarHBondContact O-CG 3.42Å; Q131-R135 PolarHBondContact O-N 2.88Å; Q132-R135 PolarHBondContact O-N 3.4Å; Q133-R135 VanDerWaalsContact C-N 3.34Å; Q133-R135 PolarHBondContact O-N 3.38Å; R135-S138 PolarHBondContact O-N 3.27Å; R135-R139 WeakPolarHBondContact O-CG 3.13Å; R135-R139 PolarHBondContact O-N 3.22Å |
| 136 | R | 77.1 | Confident | 72.7 | Confident | 197 Ų | 197 | 150.3 Ų | 150.3 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.9 | -42.1 | 175.3 | -74.7 | -175.7 | 176.3 | -150.5 | -0.5 | 112.1 | Q132 Q133 R139 R140 | Q132-R136 WeakPolarHBondContact O-CG 3.23Å; Q132-R136 PolarHBondContact O-N 3.5Å; Q133-R136 PolarHBondContact O-N 2.93Å; R136-R139 PolarHBondContact O-N 3.09Å; R136-R140 PolarHBondContact O-N 2.76Å |
| 137 | R | 72.8 | Confident | 71.1 | Confident | 207 Ų | 207 | 154.3 Ų | 154.3 | 78% | 0.781 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -63.1 | -43.6 | 174.8 | -74.5 | -173.9 | 174.1 | -168.9 | -1.5 | 111.9 | Q133 R134 R139 R140 A141 | Q133-R137 PolarHBondContact O-N 3.14Å; R134-R137 PolarHBondContact O-N 3.06Å; R137-R139 PolarHBondContact O-N 3.02Å; R137-R140 PolarHBondContact O-N 2.78Å; R137-A141 PolarHBondContact O-N 3.2Å |
| 138 | S | 71.3 | Confident | 68.9 | Low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -65 | -36.7 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 113.2 | R134 R135 R140 A141 | R134-S138 WeakPolarHBondContact O-CB 3.28Å; R134-S138 PolarHBondContact O-N 2.77Å; R135-S138 PolarHBondContact O-N 3.27Å; S138-R140 VanDerWaalsContact C-N 3.29Å; S138-R140 PolarHBondContact O-N 3.2Å; S138-A141 PolarHBondContact O-N 3.07Å |
| 139 | R | 67.2 | Low | 67.1 | Low | 220 Ų | 220 | 146.6 Ų | 146.6 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -71.1 | -20.4 | 176.6 | -75.5 | -177.3 | 179 | -165.6 | -1.7 | 114.3 | R135 R136 R137 | R135-R139 WeakPolarHBondContact O-CG 3.13Å; R135-R139 PolarHBondContact O-N 3.22Å; R136-R139 PolarHBondContact O-N 3.09Å; R137-R139 PolarHBondContact O-N 3.02Å |
| 140 | R | 60.1 | Low | 65.4 | Low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -4.4 | 179.5 | -148.3 | 178.5 | -173 | -164.8 | 1.1 | 112.6 | R136 R137 S138 | R136-R140 PolarHBondContact O-N 2.76Å; R137-R140 PolarHBondContact O-N 2.78Å; S138-R140 VanDerWaalsContact C-N 3.29Å; S138-R140 PolarHBondContact O-N 3.2Å |
| 141 | A | 61.3 | Low | 64 | Low | 62 Ų | 62 | 144.1 Ų | 144.1 | 51% | 0.512 | 75% | 0.748 | S | S | . | * | S | Bend | trans | -73.2 | 130.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | R137 S138 | R137-A141 PolarHBondContact O-N 3.2Å; S138-A141 PolarHBondContact O-N 3.07Å |
| 142 | P | 60.1 | Low | 62.2 | Low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 138.5 | 173.2 | -16.1 | 28 | 0 | 0 | 0 | 109.8 | ||
| 143 | A | 60.3 | Low | 60.9 | Low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 138.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | A145 | A143-A145 PolarHBondContact O-N 3.5Š|
| 144 | P | 58.9 | Low | 59.2 | Low | 121 Ų | 121 | 152.9 Ų | 152.9 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -64.3 | 114.2 | 174.8 | 26.2 | -31.2 | 0 | 0 | 0 | 108.4 | R146 | P144-R146 PolarHBondContact O-N 3.02Š| ||
| 145 | A | 53.4 | Low | 58.1 | Low | 101 Ų | 101 | 150 Ų | 150 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 118.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109 | A143 | A143-A145 PolarHBondContact O-N 3.5Š| ||
| 146 | R | 57.2 | Low | 56.3 | Low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 132.4 | 171.7 | -69.3 | -172.1 | 169.1 | -154.6 | -2.8 | 108.3 | P144 | P144-R146 PolarHBondContact O-N 3.02Š| ||
| 147 | H | 47.8 | Very low | 54.4 | Low | 203 Ų | 203 | 143 Ų | 143 | 94% | 0.94 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -41.9 | 131.6 | 174.6 | -78.2 | -84 | 0 | 0 | 0 | 113.9 | ||
| 148 | G | 41 | Very low | 53.2 | Low | 74 Ų | 74 | 142.2 Ų | 142.2 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 140.1 | 123.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 149 | A | 48.6 | Very low | 52.3 | Low | 105 Ų | 105 | 146.5 Ų | 146.5 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 102.5 | 112.5 | 169 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 150 | V | 44.8 | Very low | 51.2 | Low | 143 Ų | 143 | 145.2 Ų | 145.2 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -61 | 128.5 | 173.3 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 151 | A | 54.4 | Low | 50.9 | Low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -156.4 | 117.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 152 | E | 50 | Low | 50.3 | Low | 182 Ų | 182 | 148.1 Ų | 148.1 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -72.2 | 131 | 173.7 | -55.3 | -163.2 | 153.9 | 0 | 0 | 109 | ||||
| 153 | E | 55.4 | Low | 50 | Low | 194 Ų | 194 | 148.2 Ų | 148.2 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -131 | 113.2 | 156 | -75.9 | -136.8 | 143.5 | 0 | 0 | 108.1 | ||||
| 154 | E | 43.3 | Very low | 49.5 | Very low | 177 Ų | 177 | 151.1 Ų | 151.1 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -79.9 | 169 | 160.1 | -70.1 | -165.2 | 140.8 | 0 | 0 | 110.3 | ||||
| 155 | V | 56.4 | Low | 49.1 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 91.7 | 131.7 | 165.3 | -172.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 156 | D | 39.7 | Very low | 49.2 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | cis | 179.6 | 143.6 | -16.9 | -164.7 | -68.5 | 0 | 0 | 0 | 103.5 | ||||
| 157 | G | 38.6 | Very low | 49.1 | Very low | 59 Ų | 59 | 144.1 Ų | 144.1 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | trans | 81.6 | 133.9 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 158 | E | 48.2 | Very low | 49.5 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | 91 | 49.7 | 156.3 | -48 | -176.1 | 175.4 | 0 | 0 | 119.9 | ||||
| 159 | E | 51.9 | Low | 50.3 | Low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | trans | -108.6 | 6.7 | 172.8 | -66.4 | -164.7 | 159.1 | 0 | 0 | 116.3 | ||||
| 160 | Q | 44.2 | Very low | 50.8 | Low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -96.6 | -9.5 | -169.7 | -79.6 | -179.2 | 66.5 | 0 | 0 | 117.3 | ||
| 161 | E | 52.8 | Low | 51.5 | Low | 192 Ų | 192 | 137.7 Ų | 137.7 | 90% | 0.897 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -92.5 | -11.7 | -179.9 | -82.5 | -177.4 | 153.3 | 0 | 0 | 115.1 | ||
| 162 | Q | 49.4 | Very low | 51.8 | Low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87.2 | -9.6 | -176 | -76.6 | 177.7 | 60.9 | 0 | 0 | 115 | ||
| 163 | E | 53.5 | Low | 52.3 | Low | 124 Ų | 124 | 130.9 Ų | 130.9 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.9 | -29.9 | -173.9 | -164.5 | 179.3 | 146.6 | 0 | 0 | 113 | R167 | E163-R167 IonicContact OE1-CZ 3.77Å; E163-R167 IonicContact OE1-NH2 2.96Å; E163-R167 PolarHBondContact OE1-NH2 3.18Å |
| 164 | Y | 49.6 | Very low | 52.6 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 58% | 0.584 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.3 | -47 | -172.6 | -147.5 | -102.7 | 0 | 0 | 0 | 112.4 | R166 R167 D204 | Y164-R166 PolarHBondContact O-N 3.12Å; Y164-R166 VanDerWaalsContact O-N 3.14Å; Y164-R167 PolarHBondContact O-N 3.38Å; Y164-R167 VanDerWaalsContact O-N 3.09Å; Y164-D204 WeakPolarHBondContact CD1-OD1 3.31Å; Y164-D204 VanDerWaalsContact CE1-OD1 3.28Å; Y164-D204 WeakPolarHBondContact CE1-OD1 3.31Å; Y164-D204 VanDerWaalsContact CE1-OD2 3.32Å; Y164-D204 WeakPolarHBondContact CE1-OD2 3.4Å |
| 165 | G | 51 | Low | 53.5 | Low | 25 Ų | 25 | 118.6 Ų | 118.6 | 26% | 0.258 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.4 | -19.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D207 | G165-D207 WeakPolarHBondContact CA-OD2 3.46Å |
| 166 | R | 54.3 | Low | 53.9 | Low | 148 Ų | 148 | 115.1 Ų | 115.1 | 56% | 0.558 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.4 | -24.1 | 175.5 | -166.9 | 177.7 | -172.6 | -149.9 | 16.1 | 113.2 | Y164 R170 | Y164-R166 PolarHBondContact O-N 3.12Å; Y164-R166 VanDerWaalsContact O-N 3.14Å; R166-R170 HydrophobicContact CG-CG 4.44Å; R166-R170 PolarHBondContact O-N 3.47Å |
| 167 | R | 55.3 | Low | 55.1 | Low | 144 Ų | 144 | 110.3 Ų | 110.3 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.7 | -40.4 | -175.2 | -66.3 | -176.9 | -173.4 | -136.3 | 0.6 | 111.7 | E163 Y164 A169 | E163-R167 IonicContact OE1-CZ 3.77Å; E163-R167 IonicContact OE1-NH2 2.96Å; E163-R167 PolarHBondContact OE1-NH2 3.18Å; Y164-R167 PolarHBondContact O-N 3.38Å; Y164-R167 VanDerWaalsContact O-N 3.09Å; R167-A169 PolarHBondContact O-N 3.48Å |
| 168 | V | 57.4 | Low | 56.4 | Low | 12 Ų | 12 | 113 Ų | 113 | 7% | 0.073 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -66 | -41.9 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | R170 M193 K197 I199 Q211 | V168-R170 PolarHBondContact O-N 3.07Å; V168-M193 HydrophobicContact CG1-CE 4.05Å; V168-K197 HydrophobicContact CG1-CD 3.98Å; V168-I199 HydrophobicContact CG1-CD1 4.48Å; V168-Q211 PolarHBondContact O-OE1 2.92Å |
| 169 | A | 57.2 | Low | 57.6 | Low | 62 Ų | 62 | 105.6 Ų | 105.6 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.2 | -20.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R167 | R167-A169 PolarHBondContact O-N 3.48Å |
| 170 | R | 59.2 | Low | 59 | Low | 172 Ų | 172 | 101.9 Ų | 101.9 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -13.7 | -172.7 | -99.9 | -178.5 | 169.8 | -104.9 | 0.3 | 115.1 | R166 V168 | R166-R170 HydrophobicContact CG-CG 4.44Å; R166-R170 PolarHBondContact O-N 3.47Å; V168-R170 PolarHBondContact O-N 3.07Å |
| 171 | E | 59.9 | Low | 61.1 | Low | 143 Ų | 143 | 98.9 Ų | 98.9 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -119.4 | 5.5 | -166.5 | -63.4 | 173.4 | 169.9 | 0 | 0 | 114.2 | K197 | E171-K197 IonicContact OE2-NZ 3.04Å; E171-K197 PolarHBondContact OE2-NZ 3.32Å |
| 172 | S | 61.2 | Low | 62.8 | Low | 31 Ų | 31 | 91.1 Ų | 91.1 | 22% | 0.217 | 48% | 0.484 | C | S | . | . | trans | -94.5 | 115.2 | -177.9 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | T70 Q211 | T70-S172 VanDerWaalsContact CG2-CB 3.47Å; S172-Q211 VanDerWaalsContact CB-NE2 3.3Å; S172-Q211 PolarHBondContact OG-NE2 3.41Å; S172-Q211 PolarHBondContact OG-OE1 3.44Å | ||
| 173 | V | 59.5 | Low | 64.9 | Low | 103 Ų | 103 | 85.4 Ų | 85.4 | 62% | 0.624 | 46% | 0.456 | S | S | * | . | trans | -99.1 | 118.6 | 172.3 | 179.1 | 0 | 0 | 0 | 0 | 110 | T70 V175 | T70-V173 VanDerWaalsContact CA-O 3.29Å; T70-V173 WeakPolarHBondContact CA-O 3.42Å; T70-V173 WeakPolarHBondContact CG2-O 3.42Å; V173-V175 PolarHBondContact O-N 3.24Å | ||
| 174 | A | 61.4 | Low | 66.6 | Low | 57 Ų | 57 | 82.1 Ų | 82.1 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 112.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | A68 | A68-A174 HydrophobicContact CB-CB 3.94Å |
| 175 | V | 62.8 | Low | 68.7 | Low | 55 Ų | 55 | 77.2 Ų | 77.2 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.7 | 176 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | A68 F69 A71 V173 V177 | A68-V175 CarbonylContact C-O 3.38Å; A68-V175 WeakPolarHBondContact CA-O 3.48Å; F69-V175 HydrophobicContact CD1-CB 4.05Å; F69-V175 HydrophobicContact CD1-CG1 4.39Å; F69-V175 WeakPolarHBondContact CD1-O 3.29Å; F69-V175 HydrophobicContact CD2-CB 4.37Å; F69-V175 HydrophobicContact CE1-CB 3.53Å; F69-V175 HydrophobicContact CE1-CG1 3.4Å; F69-V175 VanDerWaalsContact CE1-CG1 3.4Å; F69-V175 WeakPolarHBondContact CE1-O 3.41Å; F69-V175 HydrophobicContact CE2-CB 4.01Å; F69-V175 HydrophobicContact CE2-CG1 4.09Å; F69-V175 HydrophobicContact CG-CB 4.41Å; F69-V175 HydrophobicContact CZ-CB 3.58Å; F69-V175 HydrophobicContact CZ-CG1 3.28Å; F69-V175 HydrophobicContact CZ-CG2 4.5Å; F69-V175 PolarHBondContact N-O 3.38Å; F69-V175 WeakPolarHBondContact O-CA 3.5Å; F69-V175 WeakPolarHBondContact O-CB 3.37Å; F69-V175 PolarHBondContact O-N 2.87Å; A71-V175 HydrophobicContact CB-CG2 4.46Å; V173-V175 PolarHBondContact O-N 3.24Å; V175-V177 PolarHBondContact O-N 3.16Å |
| 176 | A | 64 | Low | 70.6 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 54% | 0.537 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 113.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | T66 T67 | T66-A176 HydrophobicContact CG2-CB 3.34Å; T67-A176 CarbonylContact O-C 3.37Å; T67-A176 WeakPolarHBondContact O-CA 3.17Å |
| 177 | V | 66 | Low | 72.5 | Confident | 49 Ų | 49 | 71.1 Ų | 71.1 | 30% | 0.297 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.8 | 164.8 | 142.2 | 0 | 0 | 0 | 0 | 108.6 | T67 F69 V175 | T67-V177 PolarHBondContact N-O 3.36Å; T67-V177 PolarHBondContact O-N 2.89Å; T67-V177 PolarHBondContact OG1-O 2.95Å; T67-V177 VanDerWaalsContact OG1-O 3.04Å; F69-V177 HydrophobicContact CD1-CB 3.39Å; F69-V177 HydrophobicContact CD1-CG2 3.59Å; F69-V177 HydrophobicContact CE1-CB 3.18Å; F69-V177 HydrophobicContact CE1-CG1 4.5Å; F69-V177 HydrophobicContact CE1-CG2 2.88Å; F69-V177 HydrophobicContact CE2-CG2 4.35Å; F69-V177 HydrophobicContact CZ-CB 4.1Å; F69-V177 HydrophobicContact CZ-CG2 3.3Å; V175-V177 PolarHBondContact O-N 3.16Å |
| 178 | D | 66.2 | Low | 74.2 | Confident | 117 Ų | 117 | 70 Ų | 70 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 101.2 | 165.5 | -65.1 | -41.4 | 0 | 0 | 0 | 106.6 | T66 | T66-D178 VanDerWaalsContact CA-OD1 3.23Å; T66-D178 WeakPolarHBondContact CA-OD1 3.46Å; T66-D178 VanDerWaalsContact CB-OD1 3.27Å; T66-D178 WeakPolarHBondContact CB-OD1 3.44Å; T66-D178 PolarHBondContact OG1-OD1 3.34Å |
| 179 | S | 73.6 | Confident | 75.8 | Confident | 33 Ų | 33 | 70 Ų | 70 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | trans | -107.1 | 147.1 | -179.9 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | E181 D185 | S179-E181 VanDerWaalsContact C-N 3.29Å; S179-E181 PolarHBondContact OG-N 3.21Å; S179-D185 WeakPolarHBondContact CB-OD2 3.35Å; S179-D185 VanDerWaalsContact OG-CG 3.29Å; S179-D185 PolarHBondContact OG-OD1 3.41Å; S179-D185 PolarHBondContact OG-OD2 2.84Å | ||
| 180 | A | 79.8 | Confident | 77.5 | Confident | 103 Ų | 103 | 67 Ų | 67 | 85% | 0.851 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -74.2 | -23.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | P182 | A180-P182 WeakPolarHBondContact O-CD 3.1Š|
| 181 | E | 89.1 | Confident | 79.1 | Confident | 130 Ų | 130 | 60.9 Ų | 60.9 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | trans | -129.9 | 65.2 | -172.7 | -61.9 | -172.9 | 149.1 | 0 | 0 | 110.5 | S179 Y183 E184 D185 | S179-E181 VanDerWaalsContact C-N 3.29Å; S179-E181 PolarHBondContact OG-N 3.21Å; E181-Y183 PolarHBondContact O-N 2.95Å; E181-E184 HydrophobicContact CB-CB 4.28Å; E181-E184 HydrophobicContact CB-CG 4.28Å; E181-E184 PolarHBondContact O-N 3Å; E181-E184 VanDerWaalsContact O-N 3.07Å; E181-D185 PolarHBondContact O-N 3.04Å | ||
| 182 | P | 88.9 | Confident | 80.5 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 20% | 0.195 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -25.6 | -173.7 | 24.6 | -35.5 | 0 | 0 | 0 | 113.2 | T67 A180 F186 L223 | T67-P182 HydrophobicContact CG2-CB 4.05Å; A180-P182 WeakPolarHBondContact O-CD 3.1Å; P182-F186 HydrophobicContact CB-CE2 4.35Å; P182-F186 WeakPolarHBondContact O-CD2 2.89Å; P182-F186 WeakPolarHBondContact O-CG 2.69Å; P182-F186 PolarHBondContact O-N 2.76Å; P182-L223 HydrophobicContact CB-CD1 4.14Å; P182-L223 HydrophobicContact CG-CD1 3.86Å |
| 183 | Y | 92 | Very high | 81.9 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 175.6 | 175.7 | -109.1 | 0 | 0 | 0 | 112.7 | E181 D185 F186 R187 H226 A227 D230 | E181-Y183 PolarHBondContact O-N 2.95Å; Y183-D185 VanDerWaalsContact C-N 3.35Å; Y183-F186 PolarHBondContact O-N 2.91Å; Y183-R187 PolarHBondContact O-N 2.76Å; Y183-R187 VanDerWaalsContact O-N 3.12Å; Y183-H226 HydrophobicContact CD2-CB 4.45Å; Y183-H226 AromaticContact CD2-ND1 3.77Å; Y183-H226 HydrophobicContact CE2-CB 3.88Å; Y183-H226 AromaticContact CE2-CE1 3.98Å; Y183-H226 AromaticContact CE2-CG 3.75Å; Y183-H226 AromaticContact CE2-ND1 2.96Å; Y183-H226 WeakPolarHBondContact CE2-ND1 3.42Å; Y183-H226 AromaticContact CZ-CE1 3.87Å; Y183-H226 AromaticContact CZ-ND1 3.27Å; Y183-H226 VanDerWaalsContact CZ-ND1 3.27Å; Y183-H226 PolarHBondContact OH-CE1 2.71Å; Y183-H226 PolarHBondContact OH-ND1 3.33Å; Y183-H226 VanDerWaalsContact OH-ND1 3.15Å; Y183-A227 HydrophobicContact CD2-CB 4.42Å; Y183-A227 HydrophobicContact CE2-CB 4.03Å; Y183-D230 WeakPolarHBondContact OH-CB 3.46Å; Y183-D230 PolarHBondContact OH-OD1 3.36Å; Y183-D230 PolarHBondContact OH-OD2 3.29Å |
| 184 | E | 91 | Very high | 83.4 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | -177.5 | -64.1 | -68.2 | 130.6 | 0 | 0 | 109.8 | E181 F186 R187 E188 | E181-E184 HydrophobicContact CB-CB 4.28Å; E181-E184 HydrophobicContact CB-CG 4.28Å; E181-E184 PolarHBondContact O-N 3Å; E181-E184 VanDerWaalsContact O-N 3.07Å; E184-F186 PolarHBondContact O-N 3.33Å; E184-R187 VanDerWaalsContact CD-NH1 3.25Å; E184-R187 PolarHBondContact O-N 3.03Å; E184-R187 VanDerWaalsContact O-N 3.16Å; E184-R187 IonicContact OE1-CZ 2.75Å; E184-R187 IonicContact OE1-NH1 3.07Å; E184-R187 PolarHBondContact OE1-NH1 3.22Å; E184-R187 IonicContact OE1-NH2 3.92Å; E184-R187 IonicContact OE2-CZ 2.76Å; E184-R187 IonicContact OE2-NH1 3.35Å; E184-R187 PolarHBondContact OE2-NH1 3.29Å; E184-R187 IonicContact OE2-NH2 2.59Å; E184-R187 PolarHBondContact OE2-NH2 2.9Å; E184-E188 WeakPolarHBondContact O-CG 3.27Å; E184-E188 PolarHBondContact O-N 3.4Å |
| 185 | D | 91.8 | Very high | 84.8 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 25% | 0.251 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 175.7 | -65.4 | -1.8 | 0 | 0 | 0 | 113.1 | S179 E181 Y183 R187 S189 | S179-D185 WeakPolarHBondContact CB-OD2 3.35Å; S179-D185 VanDerWaalsContact OG-CG 3.29Å; S179-D185 PolarHBondContact OG-OD1 3.41Å; S179-D185 PolarHBondContact OG-OD2 2.84Å; E181-D185 PolarHBondContact O-N 3.04Å; Y183-D185 VanDerWaalsContact C-N 3.35Å; D185-R187 VanDerWaalsContact C-N 3.31Å; D185-R187 PolarHBondContact O-N 3.43Å; D185-S189 WeakPolarHBondContact O-CB 3.44Å; D185-S189 PolarHBondContact O-N 3.18Å |
| 186 | F | 92.4 | Very high | 86.1 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 178.4 | -73.7 | -52.5 | 0 | 0 | 0 | 110.6 | T67 P182 Y183 E184 S189 M190 F212 H220 L223 I224 A227 | T67-F186 HydrophobicContact CG2-CE1 4.45Å; T67-F186 HydrophobicContact CG2-CE2 3.95Å; T67-F186 HydrophobicContact CG2-CZ 3.56Å; P182-F186 HydrophobicContact CB-CE2 4.35Å; P182-F186 WeakPolarHBondContact O-CD2 2.89Å; P182-F186 WeakPolarHBondContact O-CG 2.69Å; P182-F186 PolarHBondContact O-N 2.76Å; Y183-F186 PolarHBondContact O-N 2.91Å; E184-F186 PolarHBondContact O-N 3.33Å; F186-S189 PolarHBondContact O-N 3.12Å; F186-M190 WeakPolarHBondContact O-CB 3.39Å; F186-M190 VanDerWaalsContact O-CG 3.27Å; F186-M190 WeakPolarHBondContact O-CG 3.38Å; F186-M190 PolarHBondContact O-N 3.32Å; F186-F212 AromaticContact CD1-CD1 3.96Å; F186-F212 HydrophobicContact CD1-CD1 3.96Å; F186-F212 HydrophobicContact CD1-CE1 4.08Å; F186-F212 HydrophobicContact CE1-CD1 4.42Å; F186-H220 HydrophobicContact CE2-CB 3.99Å; F186-H220 HydrophobicContact CZ-CB 3.98Å; F186-L223 HydrophobicContact CD2-CB 4.19Å; F186-L223 HydrophobicContact CE2-CB 4.38Å; F186-I224 HydrophobicContact CD1-CG1 3.97Å; F186-I224 HydrophobicContact CD2-CG1 3.92Å; F186-I224 HydrophobicContact CE1-CD1 4.19Å; F186-I224 HydrophobicContact CE1-CG1 3.98Å; F186-I224 HydrophobicContact CE2-CG1 3.95Å; F186-I224 HydrophobicContact CG-CG1 3.96Å; F186-I224 HydrophobicContact CZ-CD1 4.17Å; F186-I224 HydrophobicContact CZ-CG1 3.98Å; F186-A227 HydrophobicContact CB-CB 4Å |
| 187 | R | 93.5 | Very high | 87.3 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 178.5 | -165.5 | -174.7 | 73.3 | -140 | -5.7 | 110.9 | Y183 E184 D185 S189 M190 V191 A227 | Y183-R187 PolarHBondContact O-N 2.76Å; Y183-R187 VanDerWaalsContact O-N 3.12Å; E184-R187 VanDerWaalsContact CD-NH1 3.25Å; E184-R187 PolarHBondContact O-N 3.03Å; E184-R187 VanDerWaalsContact O-N 3.16Å; E184-R187 IonicContact OE1-CZ 2.75Å; E184-R187 IonicContact OE1-NH1 3.07Å; E184-R187 PolarHBondContact OE1-NH1 3.22Å; E184-R187 IonicContact OE1-NH2 3.92Å; E184-R187 IonicContact OE2-CZ 2.76Å; E184-R187 IonicContact OE2-NH1 3.35Å; E184-R187 PolarHBondContact OE2-NH1 3.29Å; E184-R187 IonicContact OE2-NH2 2.59Å; E184-R187 PolarHBondContact OE2-NH2 2.9Å; D185-R187 VanDerWaalsContact C-N 3.31Å; D185-R187 PolarHBondContact O-N 3.43Å; R187-S189 PolarHBondContact O-N 3.28Å; R187-M190 PolarHBondContact O-N 3.18Å; R187-V191 VanDerWaalsContact O-CG2 3.31Å; R187-V191 WeakPolarHBondContact O-CG2 3.43Å; R187-V191 PolarHBondContact O-N 2.89Å; R187-A227 HydrophobicContact CB-CB 3.99Å |
| 188 | E | 91.5 | Very high | 88.4 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61 | -43.9 | 178.1 | -72 | -175.5 | 176.7 | 0 | 0 | 111.7 | E184 M190 V191 Q192 | E184-E188 WeakPolarHBondContact O-CG 3.27Å; E184-E188 PolarHBondContact O-N 3.4Å; E188-M190 PolarHBondContact O-N 3Å; E188-V191 PolarHBondContact O-N 3.45Å; E188-Q192 VanDerWaalsContact O-CB 3.32Å; E188-Q192 WeakPolarHBondContact O-CB 3.4Å; E188-Q192 PolarHBondContact O-N 3.46Å |
| 189 | S | 91.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | D185 F186 R187 M193 F212 | D185-S189 WeakPolarHBondContact O-CB 3.44Å; D185-S189 PolarHBondContact O-N 3.18Å; F186-S189 PolarHBondContact O-N 3.12Å; R187-S189 PolarHBondContact O-N 3.28Å; S189-M193 WeakPolarHBondContact O-CB 3.37Å; S189-M193 WeakPolarHBondContact O-CG 3.47Å; S189-M193 PolarHBondContact O-N 2.94Å; S189-F212 WeakPolarHBondContact OG-CZ 3.39Å |
| 190 | M | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 174.5 | -73.6 | 179.8 | 179.1 | 0 | 0 | 111.9 | F186 R187 E188 Q192 M193 V194 L209 F212 I224 A227 F228 L231 | F186-M190 WeakPolarHBondContact O-CB 3.39Å; F186-M190 VanDerWaalsContact O-CG 3.27Å; F186-M190 WeakPolarHBondContact O-CG 3.38Å; F186-M190 PolarHBondContact O-N 3.32Å; R187-M190 PolarHBondContact O-N 3.18Å; E188-M190 PolarHBondContact O-N 3Å; M190-Q192 VanDerWaalsContact C-N 3.31Å; M190-Q192 PolarHBondContact O-N 2.92Å; M190-M193 PolarHBondContact O-N 3.3Å; M190-V194 VanDerWaalsContact O-CG2 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 2.96Å; M190-V194 PolarHBondContact O-N 2.99Å; M190-L209 HydrophobicContact CE-CD1 4.36Å; M190-F212 HydrophobicContact CE-CB 4.02Å; M190-F212 HydrophobicContact CE-CD1 4.16Å; M190-F212 HydrophobicContact CE-CD2 3.88Å; M190-F212 HydrophobicContact CE-CE2 4.4Å; M190-F212 HydrophobicContact CE-CG 3.75Å; M190-F212 HydrophobicContact CG-CD2 3.98Å; M190-F212 HydrophobicContact CG-CE1 4.27Å; M190-F212 HydrophobicContact CG-CE2 3.57Å; M190-F212 HydrophobicContact CG-CZ 3.73Å; M190-I224 HydrophobicContact CE-CB 4.46Å; M190-I224 HydrophobicContact CE-CG2 3.49Å; M190-I224 VanDerWaalsContact CE-CG2 3.49Å; M190-A227 HydrophobicContact SD-CB 4.34Å; M190-F228 HydrophobicContact CE-CB 4.25Å; M190-F228 HydrophobicContact SD-CB 4Å; M190-F228 HydrophobicContact SD-CD2 4.12Å; M190-L231 HydrophobicContact CB-CD1 3.95Å |
| 191 | V | 91.7 | Very high | 90.5 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | R187 E188 M193 V194 V195 L231 | R187-V191 VanDerWaalsContact O-CG2 3.31Å; R187-V191 WeakPolarHBondContact O-CG2 3.43Å; R187-V191 PolarHBondContact O-N 2.89Å; E188-V191 PolarHBondContact O-N 3.45Å; V191-M193 VanDerWaalsContact C-N 3.35Å; V191-M193 PolarHBondContact O-N 3.35Å; V191-V194 PolarHBondContact O-N 3.37Å; V191-V195 HydrophobicContact CG1-CG2 4.39Å; V191-V195 WeakPolarHBondContact O-CG2 2.89Å; V191-V195 PolarHBondContact O-N 3.23Å; V191-L231 HydrophobicContact CB-CD1 4.32Å; V191-L231 HydrophobicContact CG2-CD1 3.6Å |
| 192 | Q | 91.1 | Very high | 90.5 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 178.3 | -177.2 | 176.8 | -14.5 | 0 | 0 | 111 | E188 M190 V194 V195 E196 | E188-Q192 VanDerWaalsContact O-CB 3.32Å; E188-Q192 WeakPolarHBondContact O-CB 3.4Å; E188-Q192 PolarHBondContact O-N 3.46Å; M190-Q192 VanDerWaalsContact C-N 3.31Å; M190-Q192 PolarHBondContact O-N 2.92Å; Q192-V194 VanDerWaalsContact C-N 3.33Å; Q192-V194 PolarHBondContact O-N 3.33Å; Q192-V195 PolarHBondContact O-N 3.49Å; Q192-E196 WeakPolarHBondContact O-CB 3.13Å; Q192-E196 PolarHBondContact O-N 3.42Å |
| 193 | M | 90.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.2 | -79.9 | -170.7 | 68.9 | 0 | 0 | 112.5 | V168 S189 M190 V191 K197 L208 F212 | V168-M193 HydrophobicContact CG1-CE 4.05Å; S189-M193 WeakPolarHBondContact O-CB 3.37Å; S189-M193 WeakPolarHBondContact O-CG 3.47Å; S189-M193 PolarHBondContact O-N 2.94Å; M190-M193 PolarHBondContact O-N 3.3Å; V191-M193 VanDerWaalsContact C-N 3.35Å; V191-M193 PolarHBondContact O-N 3.35Å; M193-K197 HydrophobicContact CE-CD 4.02Å; M193-K197 VanDerWaalsContact O-CB 3.23Å; M193-K197 WeakPolarHBondContact O-CB 3.37Å; M193-K197 PolarHBondContact O-N 2.65Å; M193-L208 HydrophobicContact CB-CD1 3.8Å; M193-L208 HydrophobicContact CB-CD2 4.36Å; M193-L208 HydrophobicContact CE-CD1 3.11Å; M193-L208 HydrophobicContact CG-CD1 4.25Å; M193-L208 HydrophobicContact SD-CD1 3.44Å; M193-L208 WeakPolarHBondContact SD-CD1 3.49Å; M193-F212 HydrophobicContact SD-CE2 3.64Å; M193-F212 HydrophobicContact SD-CZ 3.93Å |
| 194 | V | 91.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.8 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | M190 V191 Q192 E198 I199 L205 L208 L231 L237 | M190-V194 VanDerWaalsContact O-CG2 3.31Å; M190-V194 WeakPolarHBondContact O-CG2 2.96Å; M190-V194 PolarHBondContact O-N 2.99Å; V191-V194 PolarHBondContact O-N 3.37Å; Q192-V194 VanDerWaalsContact C-N 3.33Å; Q192-V194 PolarHBondContact O-N 3.33Å; V194-E198 WeakPolarHBondContact O-CA 3.08Å; V194-E198 PolarHBondContact O-N 2.9Å; V194-E198 VanDerWaalsContact O-N 3.12Å; V194-I199 HydrophobicContact CB-CB 4.45Å; V194-I199 HydrophobicContact CG1-CB 4.33Å; V194-I199 HydrophobicContact CG2-CB 4.32Å; V194-I199 HydrophobicContact CG2-CG2 4.44Å; V194-I199 PolarHBondContact O-N 2.86Å; V194-L205 HydrophobicContact CG2-CD1 3.69Å; V194-L208 HydrophobicContact CG2-CD2 3.55Å; V194-L231 HydrophobicContact CG2-CD1 4.27Å; V194-L231 HydrophobicContact CG2-CD2 4.3Å; V194-L237 HydrophobicContact CG1-CD1 3.91Å |
| 195 | V | 90 | Very high | 90.5 | Very high | 106 Ų | 106 | 58.4 Ų | 58.4 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.4 | -45.7 | 179.1 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | V191 Q192 E198 | V191-V195 HydrophobicContact CG1-CG2 4.39Å; V191-V195 WeakPolarHBondContact O-CG2 2.89Å; V191-V195 PolarHBondContact O-N 3.23Å; Q192-V195 PolarHBondContact O-N 3.49Å; V195-E198 PolarHBondContact O-N 3.42Å |
| 196 | E | 90.7 | Very high | 90.6 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 45% | 0.453 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.2 | -35.2 | -174.5 | -175.9 | 165.3 | -148.8 | 0 | 0 | 112.5 | T72 Q192 | T72-E196 WeakPolarHBondContact CB-OE1 3.1Å; T72-E196 WeakPolarHBondContact CG2-OE1 3.36Å; T72-E196 PolarHBondContact OG1-OE1 2.97Å; T72-E196 PolarHBondContact OG1-OE2 2.95Å; Q192-E196 WeakPolarHBondContact O-CB 3.13Å; Q192-E196 PolarHBondContact O-N 3.42Å |
| 197 | K | 89.1 | Confident | 90.6 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 27% | 0.265 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 5.5 | 177.4 | -61.3 | -176.8 | 168.6 | -69.4 | 0 | 113.4 | V168 E171 M193 I199 | V168-K197 HydrophobicContact CG1-CD 3.98Å; E171-K197 IonicContact OE2-NZ 3.04Å; E171-K197 PolarHBondContact OE2-NZ 3.32Å; M193-K197 HydrophobicContact CE-CD 4.02Å; M193-K197 VanDerWaalsContact O-CB 3.23Å; M193-K197 WeakPolarHBondContact O-CB 3.37Å; M193-K197 PolarHBondContact O-N 2.65Å; K197-I199 VanDerWaalsContact C-N 3.28Å; K197-I199 HydrophobicContact CB-CD1 4.03Å; K197-I199 HydrophobicContact CB-CG1 3.92Å; K197-I199 PolarHBondContact O-N 3.03Å |
| 198 | E | 88.7 | Confident | 90.7 | Very high | 129 Ų | 129 | 59 Ų | 59 | 60% | 0.603 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 46.6 | 178.9 | -66.1 | -170.2 | 142.5 | 0 | 0 | 112.5 | V194 V195 Y200 | V194-E198 WeakPolarHBondContact O-CA 3.08Å; V194-E198 PolarHBondContact O-N 2.9Å; V194-E198 VanDerWaalsContact O-N 3.12Å; V195-E198 PolarHBondContact O-N 3.42Å; E198-Y200 HydrophobicContact CB-CD2 4.33Å; E198-Y200 HydrophobicContact CB-CE2 3.62Å; E198-Y200 HydrophobicContact CG-CE2 4.28Å; E198-Y200 WeakPolarHBondContact O-CD2 3.32Å; E198-Y200 WeakPolarHBondContact O-CE2 3.44Å; E198-Y200 PolarHBondContact O-N 2.77Å |
| 199 | I | 87.6 | Confident | 90.8 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | trans | -78.1 | 103.7 | -177.6 | -66.6 | 170.5 | 0 | 0 | 0 | 109.1 | V168 V194 K197 D204 L205 L208 | V168-I199 HydrophobicContact CG1-CD1 4.48Å; V194-I199 HydrophobicContact CB-CB 4.45Å; V194-I199 HydrophobicContact CG1-CB 4.33Å; V194-I199 HydrophobicContact CG2-CB 4.32Å; V194-I199 HydrophobicContact CG2-CG2 4.44Å; V194-I199 PolarHBondContact O-N 2.86Å; K197-I199 VanDerWaalsContact C-N 3.28Å; K197-I199 HydrophobicContact CB-CD1 4.03Å; K197-I199 HydrophobicContact CB-CG1 3.92Å; K197-I199 PolarHBondContact O-N 3.03Å; I199-D204 HydrophobicContact CB-CB 4.37Å; I199-D204 HydrophobicContact CG1-CB 4.3Å; I199-D204 HydrophobicContact CG2-CB 3.61Å; I199-L205 HydrophobicContact CG2-CB 3.93Å; I199-L205 HydrophobicContact CG2-CD1 4.09Å; I199-L208 HydrophobicContact CD1-CB 4.3Å; I199-L208 HydrophobicContact CD1-CD1 4.37Å; I199-L208 HydrophobicContact CD1-CD2 4.11Å | ||
| 200 | Y | 85.6 | Confident | 91 | Very high | 156 Ų | 156 | 58.3 Ų | 58.3 | 61% | 0.612 | 29% | 0.286 | S | S | * | . | trans | -120.4 | -11.6 | 179.5 | -54.4 | -64.1 | 0 | 0 | 0 | 113.9 | E198 F238 | E198-Y200 HydrophobicContact CB-CD2 4.33Å; E198-Y200 HydrophobicContact CB-CE2 3.62Å; E198-Y200 HydrophobicContact CG-CE2 4.28Å; E198-Y200 WeakPolarHBondContact O-CD2 3.32Å; E198-Y200 WeakPolarHBondContact O-CE2 3.44Å; E198-Y200 PolarHBondContact O-N 2.77Å; Y200-F238 WeakPolarHBondContact O-CE1 3.44Å; Y200-F238 WeakPolarHBondContact O-CZ 3.43Å | ||
| 201 | A | 89.1 | Confident | 91 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 35% | 0.347 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -89.5 | 149.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D203 D204 L205 | A201-D203 VanDerWaalsContact C-N 3.28Å; A201-D203 PolarHBondContact O-N 3.24Å; A201-D204 HydrophobicContact CB-CB 4.4Å; A201-L205 PolarHBondContact O-N 2.97Å |
| 202 | W | 89 | Confident | 91 | Very high | 124 Ų | 124 | 57.5 Ų | 57.5 | 47% | 0.47 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 173.4 | 169.2 | -104.2 | 0 | 0 | 0 | 111.8 | L205 N206 W232 | W202-L205 PolarHBondContact O-N 3.03Å; W202-N206 WeakPolarHBondContact O-CB 3.48Å; W202-N206 PolarHBondContact O-N 3.47Å; W202-W232 HydrophobicContact CD2-CH2 4.42Å; W202-W232 HydrophobicContact CE3-CE3 4.35Å; W202-W232 AromaticContact CE3-CH2 3.26Å; W202-W232 HydrophobicContact CE3-CH2 3.26Å; W202-W232 HydrophobicContact CE3-CZ2 4.35Å; W202-W232 AromaticContact CE3-CZ3 3.29Å; W202-W232 HydrophobicContact CE3-CZ3 3.29Å; W202-W232 AromaticContact CZ3-CE3 3.93Å; W202-W232 HydrophobicContact CZ3-CE3 3.93Å; W202-W232 AromaticContact CZ3-CH2 3.34Å; W202-W232 HydrophobicContact CZ3-CH2 3.34Å; W202-W232 HydrophobicContact CZ3-CZ2 4.12Å; W202-W232 AromaticContact CZ3-CZ3 3.26Å; W202-W232 HydrophobicContact CZ3-CZ3 3.26Å |
| 203 | D | 91.7 | Very high | 91.2 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 62% | 0.615 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -44.4 | -176.9 | -57.5 | -48.8 | 0 | 0 | 0 | 111.5 | A201 L205 N206 D207 | A201-D203 VanDerWaalsContact C-N 3.28Å; A201-D203 PolarHBondContact O-N 3.24Å; D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 3.08Å; D203-N206 WeakPolarHBondContact O-CB 3.35Å; D203-N206 PolarHBondContact O-N 3.24Å; D203-N206 VanDerWaalsContact O-N 3.16Å; D203-D207 PolarHBondContact O-N 2.87Å |
| 204 | D | 90.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.064 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -38.6 | 174.8 | -66.7 | -29.2 | 0 | 0 | 0 | 112.5 | Y164 I199 A201 N206 D207 L208 | Y164-D204 WeakPolarHBondContact CD1-OD1 3.31Å; Y164-D204 VanDerWaalsContact CE1-OD1 3.28Å; Y164-D204 WeakPolarHBondContact CE1-OD1 3.31Å; Y164-D204 VanDerWaalsContact CE1-OD2 3.32Å; Y164-D204 WeakPolarHBondContact CE1-OD2 3.4Å; I199-D204 HydrophobicContact CB-CB 4.37Å; I199-D204 HydrophobicContact CG1-CB 4.3Å; I199-D204 HydrophobicContact CG2-CB 3.61Å; A201-D204 HydrophobicContact CB-CB 4.4Å; D204-N206 VanDerWaalsContact C-N 3.35Å; D204-D207 PolarHBondContact O-N 2.89Å; D204-L208 WeakPolarHBondContact O-CB 3.5Å; D204-L208 PolarHBondContact O-N 3.3Å |
| 205 | L | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -35.9 | 177.6 | -170.1 | 72.1 | 0 | 0 | 0 | 111.2 | V194 I199 A201 W202 D203 L208 L209 F228 L231 W232 F238 | V194-L205 HydrophobicContact CG2-CD1 3.69Å; I199-L205 HydrophobicContact CG2-CB 3.93Å; I199-L205 HydrophobicContact CG2-CD1 4.09Å; A201-L205 PolarHBondContact O-N 2.97Å; W202-L205 PolarHBondContact O-N 3.03Å; D203-L205 VanDerWaalsContact C-N 3.3Å; D203-L205 PolarHBondContact O-N 3.08Å; L205-L208 HydrophobicContact CD1-CD2 4.08Å; L205-L208 WeakPolarHBondContact O-CB 3.39Å; L205-L208 PolarHBondContact O-N 3.19Å; L205-L209 PolarHBondContact O-N 3.5Å; L205-L209 VanDerWaalsContact O-N 3.07Å; L205-F228 HydrophobicContact CD1-CE2 4Å; L205-F228 HydrophobicContact CD2-CE2 4.01Å; L205-F228 HydrophobicContact CD2-CZ 3.71Å; L205-F228 HydrophobicContact CG-CE2 3.59Å; L205-F228 HydrophobicContact CG-CZ 3.66Å; L205-F228 WeakPolarHBondContact O-CE2 3.32Å; L205-L231 HydrophobicContact CD1-CD2 3.73Å; L205-L231 HydrophobicContact CD2-CD2 4.34Å; L205-W232 HydrophobicContact CD2-CE3 3.65Å; L205-W232 HydrophobicContact CD2-CZ3 3.58Å; L205-F238 HydrophobicContact CD2-CD2 4.02Å; L205-F238 HydrophobicContact CD2-CE2 3.74Å; L205-F238 HydrophobicContact CD2-CZ 4.5Å |
| 206 | N | 93.6 | Very high | 91.2 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.6 | -164.1 | -93 | 0 | 0 | 0 | 111.2 | W202 D203 D204 L208 L209 H210 | W202-N206 WeakPolarHBondContact O-CB 3.48Å; W202-N206 PolarHBondContact O-N 3.47Å; D203-N206 WeakPolarHBondContact O-CB 3.35Å; D203-N206 PolarHBondContact O-N 3.24Å; D203-N206 VanDerWaalsContact O-N 3.16Å; D204-N206 VanDerWaalsContact C-N 3.35Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 PolarHBondContact O-N 2.78Å; N206-L209 WeakPolarHBondContact O-CB 3.47Å; N206-L209 PolarHBondContact O-N 2.92Å; N206-H210 PolarHBondContact O-N 3.02Å; N206-H210 PolarHBondContact OD1-CE1 2.75Å; N206-H210 PolarHBondContact OD1-ND1 3.29Å |
| 207 | D | 92.8 | Very high | 91.1 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174 | -81.9 | -14 | 0 | 0 | 0 | 112.2 | G165 D203 D204 L209 H210 Q211 | G165-D207 WeakPolarHBondContact CA-OD2 3.46Å; D203-D207 PolarHBondContact O-N 2.87Å; D204-D207 PolarHBondContact O-N 2.89Å; D207-L209 PolarHBondContact O-N 2.93Å; D207-H210 PolarHBondContact O-N 3.21Å; D207-Q211 WeakPolarHBondContact O-CB 3.27Å; D207-Q211 PolarHBondContact O-N 3.07Å |
| 208 | L | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.9 | -50.7 | 171.5 | -179.8 | 65.5 | 0 | 0 | 0 | 110.9 | M193 V194 I199 D204 L205 N206 H210 Q211 F212 | M193-L208 HydrophobicContact CB-CD1 3.8Å; M193-L208 HydrophobicContact CB-CD2 4.36Å; M193-L208 HydrophobicContact CE-CD1 3.11Å; M193-L208 HydrophobicContact CG-CD1 4.25Å; M193-L208 HydrophobicContact SD-CD1 3.44Å; M193-L208 WeakPolarHBondContact SD-CD1 3.49Å; V194-L208 HydrophobicContact CG2-CD2 3.55Å; I199-L208 HydrophobicContact CD1-CB 4.3Å; I199-L208 HydrophobicContact CD1-CD1 4.37Å; I199-L208 HydrophobicContact CD1-CD2 4.11Å; D204-L208 WeakPolarHBondContact O-CB 3.5Å; D204-L208 PolarHBondContact O-N 3.3Å; L205-L208 HydrophobicContact CD1-CD2 4.08Å; L205-L208 WeakPolarHBondContact O-CB 3.39Å; L205-L208 PolarHBondContact O-N 3.19Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 PolarHBondContact O-N 2.78Å; L208-H210 PolarHBondContact O-N 3.31Å; L208-Q211 WeakPolarHBondContact O-CB 3.44Å; L208-Q211 PolarHBondContact O-N 3.36Å; L208-F212 HydrophobicContact CD1-CD2 4.1Å; L208-F212 HydrophobicContact CD1-CE2 3.7Å; L208-F212 HydrophobicContact CG-CD2 4.24Å; L208-F212 HydrophobicContact CG-CE2 4.12Å; L208-F212 WeakPolarHBondContact O-CD2 3.44Å; L208-F212 PolarHBondContact O-N 3.27Å; L208-F212 VanDerWaalsContact O-N 3.12Å |
| 209 | L | 95.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 178.1 | 177.6 | 59.6 | 0 | 0 | 0 | 111.7 | M190 L205 N206 D207 Q211 F212 L213 I224 L225 F228 | M190-L209 HydrophobicContact CE-CD1 4.36Å; L205-L209 PolarHBondContact O-N 3.5Å; L205-L209 VanDerWaalsContact O-N 3.07Å; N206-L209 WeakPolarHBondContact O-CB 3.47Å; N206-L209 PolarHBondContact O-N 2.92Å; D207-L209 PolarHBondContact O-N 2.93Å; L209-Q211 VanDerWaalsContact C-N 3.25Å; L209-Q211 PolarHBondContact O-N 2.94Å; L209-F212 PolarHBondContact O-N 3.48Å; L209-L213 HydrophobicContact CD1-CD1 4.2Å; L209-L213 HydrophobicContact CD1-CG 4.19Å; L209-L213 HydrophobicContact CG-CD1 4.05Å; L209-L213 HydrophobicContact CG-CG 4.45Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.41Å; L209-I224 HydrophobicContact CD1-CG2 3.91Å; L209-L225 HydrophobicContact CD1-CD2 4.16Å; L209-L225 HydrophobicContact CD2-CD2 4.18Å; L209-F228 HydrophobicContact CB-CD2 3.89Å; L209-F228 HydrophobicContact CB-CE2 3.69Å; L209-F228 HydrophobicContact CB-CG 4.48Å; L209-F228 HydrophobicContact CB-CZ 4.14Å; L209-F228 HydrophobicContact CD1-CB 4Å; L209-F228 HydrophobicContact CD1-CD2 3.96Å; L209-F228 HydrophobicContact CD1-CG 3.91Å; L209-F228 HydrophobicContact CD2-CD1 3.91Å; L209-F228 HydrophobicContact CD2-CD2 4.32Å; L209-F228 HydrophobicContact CD2-CE1 3.93Å; L209-F228 HydrophobicContact CD2-CE2 4.32Å; L209-F228 HydrophobicContact CD2-CG 4.1Å; L209-F228 HydrophobicContact CD2-CZ 4.13Å; L209-F228 HydrophobicContact CG-CD2 4.27Å; L209-F228 HydrophobicContact CG-CE2 4.4Å; L209-F228 HydrophobicContact CG-CG 4.39Å |
| 210 | H | 94.8 | Very high | 91.6 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -37.9 | 176.8 | -74.3 | 151.6 | 0 | 0 | 0 | 112.3 | N206 D207 L208 L213 S214 | N206-H210 PolarHBondContact O-N 3.02Å; N206-H210 PolarHBondContact OD1-CE1 2.75Å; N206-H210 PolarHBondContact OD1-ND1 3.29Å; D207-H210 PolarHBondContact O-N 3.21Å; L208-H210 PolarHBondContact O-N 3.31Å; H210-L213 PolarHBondContact O-N 3.47Å; H210-S214 WeakPolarHBondContact O-CB 3.17Å; H210-S214 PolarHBondContact O-N 2.95Å; H210-S214 PolarHBondContact O-OG 3.31Å |
| 211 | Q | 91.9 | Very high | 92 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -50.9 | 174.8 | -165.6 | -172 | -87.6 | 0 | 0 | 111.1 | V168 S172 D207 L208 L209 L213 S214 L215 | V168-Q211 PolarHBondContact O-OE1 2.92Å; S172-Q211 VanDerWaalsContact CB-NE2 3.3Å; S172-Q211 PolarHBondContact OG-NE2 3.41Å; S172-Q211 PolarHBondContact OG-OE1 3.44Å; D207-Q211 WeakPolarHBondContact O-CB 3.27Å; D207-Q211 PolarHBondContact O-N 3.07Å; L208-Q211 WeakPolarHBondContact O-CB 3.44Å; L208-Q211 PolarHBondContact O-N 3.36Å; L209-Q211 VanDerWaalsContact C-N 3.25Å; L209-Q211 PolarHBondContact O-N 2.94Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L213 PolarHBondContact O-N 3.39Å; Q211-S214 PolarHBondContact O-N 2.96Å; Q211-S214 PolarHBondContact O-OG 3.34Å; Q211-L215 HydrophobicContact CG-CD1 3.88Å; Q211-L215 HydrophobicContact CG-CG 4.42Å; Q211-L215 WeakPolarHBondContact O-CB 3.27Å; Q211-L215 VanDerWaalsContact O-CG 3.27Å; Q211-L215 WeakPolarHBondContact O-CG 3.23Å; Q211-L215 PolarHBondContact O-N 3.47Å |
| 212 | F | 93.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 178.4 | -85.9 | -89.8 | 0 | 0 | 0 | 112.6 | F186 S189 M190 M193 L208 L209 N216 I224 | F186-F212 AromaticContact CD1-CD1 3.96Å; F186-F212 HydrophobicContact CD1-CD1 3.96Å; F186-F212 HydrophobicContact CD1-CE1 4.08Å; F186-F212 HydrophobicContact CE1-CD1 4.42Å; S189-F212 WeakPolarHBondContact OG-CZ 3.39Å; M190-F212 HydrophobicContact CE-CB 4.02Å; M190-F212 HydrophobicContact CE-CD1 4.16Å; M190-F212 HydrophobicContact CE-CD2 3.88Å; M190-F212 HydrophobicContact CE-CE2 4.4Å; M190-F212 HydrophobicContact CE-CG 3.75Å; M190-F212 HydrophobicContact CG-CD2 3.98Å; M190-F212 HydrophobicContact CG-CE1 4.27Å; M190-F212 HydrophobicContact CG-CE2 3.57Å; M190-F212 HydrophobicContact CG-CZ 3.73Å; M193-F212 HydrophobicContact SD-CE2 3.64Å; M193-F212 HydrophobicContact SD-CZ 3.93Å; L208-F212 HydrophobicContact CD1-CD2 4.1Å; L208-F212 HydrophobicContact CD1-CE2 3.7Å; L208-F212 HydrophobicContact CG-CD2 4.24Å; L208-F212 HydrophobicContact CG-CE2 4.12Å; L208-F212 WeakPolarHBondContact O-CD2 3.44Å; L208-F212 PolarHBondContact O-N 3.27Å; L208-F212 VanDerWaalsContact O-N 3.12Å; L209-F212 PolarHBondContact O-N 3.48Å; F212-N216 WeakPolarHBondContact O-CB 3.27Å; F212-N216 PolarHBondContact O-N 2.84Å; F212-N216 PolarHBondContact O-ND2 3.09Å; F212-I224 HydrophobicContact CB-CD1 4.44Å; F212-I224 HydrophobicContact CB-CG2 3.69Å |
| 213 | L | 94.8 | Very high | 92.5 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 178.5 | -66.5 | 175.3 | 0 | 0 | 0 | 112 | L209 H210 Q211 H221 I224 L225 | L209-L213 HydrophobicContact CD1-CD1 4.2Å; L209-L213 HydrophobicContact CD1-CG 4.19Å; L209-L213 HydrophobicContact CG-CD1 4.05Å; L209-L213 HydrophobicContact CG-CG 4.45Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.41Å; H210-L213 PolarHBondContact O-N 3.47Å; Q211-L213 VanDerWaalsContact C-N 3.34Å; Q211-L213 PolarHBondContact O-N 3.39Å; L213-H221 HydrophobicContact CD2-CB 3.81Å; L213-H221 PolarHBondContact O-CE1 3.02Å; L213-H221 PolarHBondContact O-NE2 3.45Å; L213-I224 HydrophobicContact CD2-CB 4.26Å; L213-I224 HydrophobicContact CD2-CG2 3.85Å; L213-I224 HydrophobicContact CG-CG2 4.3Å; L213-L225 HydrophobicContact CD2-CG 4.49Å |
| 214 | S | 92.5 | Very high | 92.7 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 67% | 0.671 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -72.4 | -31 | -179.5 | 73.5 | 0 | 0 | 0 | 0 | 113.6 | H210 Q211 | H210-S214 WeakPolarHBondContact O-CB 3.17Å; H210-S214 PolarHBondContact O-N 2.95Å; H210-S214 PolarHBondContact O-OG 3.31Å; Q211-S214 PolarHBondContact O-N 2.96Å; Q211-S214 PolarHBondContact O-OG 3.34Å |
| 215 | L | 90.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.3 | -31.4 | 179.7 | -72.2 | 175.7 | 0 | 0 | 0 | 112.8 | Q211 | Q211-L215 HydrophobicContact CG-CD1 3.88Å; Q211-L215 HydrophobicContact CG-CG 4.42Å; Q211-L215 WeakPolarHBondContact O-CB 3.27Å; Q211-L215 VanDerWaalsContact O-CG 3.27Å; Q211-L215 WeakPolarHBondContact O-CG 3.23Å; Q211-L215 PolarHBondContact O-N 3.47Å |
| 216 | N | 89.4 | Confident | 93 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -100.9 | 151.2 | -172.9 | -71.3 | -77.7 | 0 | 0 | 0 | 112.7 | A68 F212 H220 H221 I224 | A68-N216 PolarHBondContact N-OD1 2.97Å; F212-N216 WeakPolarHBondContact O-CB 3.27Å; F212-N216 PolarHBondContact O-N 2.84Å; F212-N216 PolarHBondContact O-ND2 3.09Å; N216-H220 HydrophobicContact CB-CB 4.27Å; N216-H221 PolarHBondContact O-NE2 3.45Å; N216-I224 HydrophobicContact CB-CD1 3.61Å |
| 217 | S | 88.7 | Confident | 93.1 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | trans | -61.4 | 145.5 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | R219 H220 | S217-R219 PolarHBondContact O-N 2.99Å; S217-H220 PolarHBondContact O-N 3.17Å; S217-H220 PolarHBondContact O-ND1 3.37Å | ||
| 218 | P | 92.2 | Very high | 93.1 | Very high | 100 Ų | 100 | 55.4 Ų | 55.4 | 65% | 0.649 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -53.1 | -21.1 | -180 | -29.7 | 35.5 | 0 | 0 | 0 | 115.6 | H220 H221 | P218-H220 PolarHBondContact O-N 2.85Å; P218-H221 WeakPolarHBondContact O-CB 3.43Å; P218-H221 PolarHBondContact O-N 3.37Å |
| 219 | R | 91.1 | Very high | 93 | Very high | 219 Ų | 219 | 57.6 Ų | 57.6 | 83% | 0.826 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -60.2 | -28.7 | 173.7 | -65.2 | -176.4 | 174 | -171.4 | -5.7 | 113.8 | S217 | S217-R219 PolarHBondContact O-N 2.99Š|
| 220 | H | 91.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -93.1 | -10.9 | 179.1 | -55.4 | 105.3 | 0 | 0 | 0 | 113.1 | T65 F186 N216 S217 P218 P222 L223 I224 | T65-H220 VanDerWaalsContact CG2-CE1 3.43Å; T65-H220 WeakPolarHBondContact CG2-CE1 3.34Å; T65-H220 WeakPolarHBondContact CG2-NE2 3.43Å; F186-H220 HydrophobicContact CE2-CB 3.99Å; F186-H220 HydrophobicContact CZ-CB 3.98Å; N216-H220 HydrophobicContact CB-CB 4.27Å; S217-H220 PolarHBondContact O-N 3.17Å; S217-H220 PolarHBondContact O-ND1 3.37Å; P218-H220 PolarHBondContact O-N 2.85Å; H220-P222 VanDerWaalsContact C-CD 3.45Å; H220-P222 VanDerWaalsContact C-N 3.31Å; H220-L223 WeakPolarHBondContact O-CB 3.42Å; H220-L223 PolarHBondContact O-N 3.37Å; H220-I224 HydrophobicContact CB-CD1 4.02Å; H220-I224 HydrophobicContact CB-CG1 4.44Å; H220-I224 WeakPolarHBondContact O-CG1 2.94Å; H220-I224 PolarHBondContact O-N 3.15Å |
| 221 | H | 94.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.3 | -40.7 | -176.5 | -67.9 | -173.2 | 0 | 0 | 0 | 112.8 | L213 N216 P218 L223 I224 L225 | L213-H221 HydrophobicContact CD2-CB 3.81Å; L213-H221 PolarHBondContact O-CE1 3.02Å; L213-H221 PolarHBondContact O-NE2 3.45Å; N216-H221 PolarHBondContact O-NE2 3.45Å; P218-H221 WeakPolarHBondContact O-CB 3.43Å; P218-H221 PolarHBondContact O-N 3.37Å; H221-L223 VanDerWaalsContact C-N 3.32Å; H221-L223 PolarHBondContact O-N 2.98Å; H221-I224 PolarHBondContact O-N 2.97Å; H221-L225 WeakPolarHBondContact O-CB 3.41Å; H221-L225 VanDerWaalsContact O-CG 3.27Å; H221-L225 WeakPolarHBondContact O-CG 3.33Å; H221-L225 PolarHBondContact O-N 3.44Å |
| 222 | P | 94.9 | Very high | 92.1 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.4 | -40.4 | 174.7 | -24.9 | 35.5 | 0 | 0 | 0 | 113.3 | H220 H226 | H220-P222 VanDerWaalsContact C-CD 3.45Å; H220-P222 VanDerWaalsContact C-N 3.31Å; P222-H226 WeakPolarHBondContact O-CB 3.4Å; P222-H226 PolarHBondContact O-N 3.36Å |
| 223 | L | 94.4 | Very high | 91.7 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 178.3 | -63.2 | 176.6 | 0 | 0 | 0 | 111.8 | P182 F186 H220 H221 H226 A227 | P182-L223 HydrophobicContact CB-CD1 4.14Å; P182-L223 HydrophobicContact CG-CD1 3.86Å; F186-L223 HydrophobicContact CD2-CB 4.19Å; F186-L223 HydrophobicContact CE2-CB 4.38Å; H220-L223 WeakPolarHBondContact O-CB 3.42Å; H220-L223 PolarHBondContact O-N 3.37Å; H221-L223 VanDerWaalsContact C-N 3.32Å; H221-L223 PolarHBondContact O-N 2.98Å; L223-H226 PolarHBondContact O-N 3.42Å; L223-A227 WeakPolarHBondContact O-CB 3.48Å; L223-A227 PolarHBondContact O-N 2.97Å |
| 224 | I | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 176.9 | -68.2 | 167.4 | 0 | 0 | 0 | 110.3 | F186 M190 L209 F212 L213 N216 H220 H221 H226 A227 F228 | F186-I224 HydrophobicContact CD1-CG1 3.97Å; F186-I224 HydrophobicContact CD2-CG1 3.92Å; F186-I224 HydrophobicContact CE1-CD1 4.19Å; F186-I224 HydrophobicContact CE1-CG1 3.98Å; F186-I224 HydrophobicContact CE2-CG1 3.95Å; F186-I224 HydrophobicContact CG-CG1 3.96Å; F186-I224 HydrophobicContact CZ-CD1 4.17Å; F186-I224 HydrophobicContact CZ-CG1 3.98Å; M190-I224 HydrophobicContact CE-CB 4.46Å; M190-I224 HydrophobicContact CE-CG2 3.49Å; M190-I224 VanDerWaalsContact CE-CG2 3.49Å; L209-I224 HydrophobicContact CD1-CG2 3.91Å; F212-I224 HydrophobicContact CB-CD1 4.44Å; F212-I224 HydrophobicContact CB-CG2 3.69Å; L213-I224 HydrophobicContact CD2-CB 4.26Å; L213-I224 HydrophobicContact CD2-CG2 3.85Å; L213-I224 HydrophobicContact CG-CG2 4.3Å; N216-I224 HydrophobicContact CB-CD1 3.61Å; H220-I224 HydrophobicContact CB-CD1 4.02Å; H220-I224 HydrophobicContact CB-CG1 4.44Å; H220-I224 WeakPolarHBondContact O-CG1 2.94Å; H220-I224 PolarHBondContact O-N 3.15Å; H221-I224 PolarHBondContact O-N 2.97Å; I224-H226 VanDerWaalsContact C-N 3.34Å; I224-A227 PolarHBondContact O-N 3.42Å; I224-F228 WeakPolarHBondContact O-CB 3.49Å; I224-F228 PolarHBondContact O-N 2.96Å |
| 225 | L | 95.6 | Very high | 89.7 | Confident | 87 Ų | 87 | 66 Ų | 66 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 177.7 | -70.2 | 170.1 | 0 | 0 | 0 | 111.8 | L209 L213 H221 F228 A229 | L209-L225 HydrophobicContact CD1-CD2 4.16Å; L209-L225 HydrophobicContact CD2-CD2 4.18Å; L213-L225 HydrophobicContact CD2-CG 4.49Å; H221-L225 WeakPolarHBondContact O-CB 3.41Å; H221-L225 VanDerWaalsContact O-CG 3.27Å; H221-L225 WeakPolarHBondContact O-CG 3.33Å; H221-L225 PolarHBondContact O-N 3.44Å; L225-F228 PolarHBondContact O-N 3.22Å; L225-A229 WeakPolarHBondContact O-CB 3.43Å; L225-A229 PolarHBondContact O-N 3.23Å |
| 226 | H | 94.2 | Very high | 88.5 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.5 | -164.9 | -113.4 | 0 | 0 | 0 | 111.2 | Y183 P222 L223 I224 F228 A229 D230 | Y183-H226 HydrophobicContact CD2-CB 4.45Å; Y183-H226 AromaticContact CD2-ND1 3.77Å; Y183-H226 HydrophobicContact CE2-CB 3.88Å; Y183-H226 AromaticContact CE2-CE1 3.98Å; Y183-H226 AromaticContact CE2-CG 3.75Å; Y183-H226 AromaticContact CE2-ND1 2.96Å; Y183-H226 WeakPolarHBondContact CE2-ND1 3.42Å; Y183-H226 AromaticContact CZ-CE1 3.87Å; Y183-H226 AromaticContact CZ-ND1 3.27Å; Y183-H226 VanDerWaalsContact CZ-ND1 3.27Å; Y183-H226 PolarHBondContact OH-CE1 2.71Å; Y183-H226 PolarHBondContact OH-ND1 3.33Å; Y183-H226 VanDerWaalsContact OH-ND1 3.15Å; P222-H226 WeakPolarHBondContact O-CB 3.4Å; P222-H226 PolarHBondContact O-N 3.36Å; L223-H226 PolarHBondContact O-N 3.42Å; I224-H226 VanDerWaalsContact C-N 3.34Å; H226-F228 VanDerWaalsContact C-N 3.27Å; H226-F228 PolarHBondContact O-N 2.94Å; H226-A229 PolarHBondContact O-N 3.45Å; H226-D230 PolarHBondContact O-N 3.28Å |
| 227 | A | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y183 F186 R187 M190 L223 I224 D230 L231 | Y183-A227 HydrophobicContact CD2-CB 4.42Å; Y183-A227 HydrophobicContact CE2-CB 4.03Å; F186-A227 HydrophobicContact CB-CB 4Å; R187-A227 HydrophobicContact CB-CB 3.99Å; M190-A227 HydrophobicContact SD-CB 4.34Å; L223-A227 WeakPolarHBondContact O-CB 3.48Å; L223-A227 PolarHBondContact O-N 2.97Å; I224-A227 PolarHBondContact O-N 3.42Å; A227-D230 PolarHBondContact O-N 3.43Å; A227-L231 PolarHBondContact O-N 3.43Å |
| 228 | F | 93.4 | Very high | 85.7 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 8% | 0.083 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 175.3 | -172.6 | -95.4 | 0 | 0 | 0 | 112.8 | M190 L205 L209 I224 L225 H226 D230 L231 W232 | M190-F228 HydrophobicContact CE-CB 4.25Å; M190-F228 HydrophobicContact SD-CB 4Å; M190-F228 HydrophobicContact SD-CD2 4.12Å; L205-F228 HydrophobicContact CD1-CE2 4Å; L205-F228 HydrophobicContact CD2-CE2 4.01Å; L205-F228 HydrophobicContact CD2-CZ 3.71Å; L205-F228 HydrophobicContact CG-CE2 3.59Å; L205-F228 HydrophobicContact CG-CZ 3.66Å; L205-F228 WeakPolarHBondContact O-CE2 3.32Å; L209-F228 HydrophobicContact CB-CD2 3.89Å; L209-F228 HydrophobicContact CB-CE2 3.69Å; L209-F228 HydrophobicContact CB-CG 4.48Å; L209-F228 HydrophobicContact CB-CZ 4.14Å; L209-F228 HydrophobicContact CD1-CB 4Å; L209-F228 HydrophobicContact CD1-CD2 3.96Å; L209-F228 HydrophobicContact CD1-CG 3.91Å; L209-F228 HydrophobicContact CD2-CD1 3.91Å; L209-F228 HydrophobicContact CD2-CD2 4.32Å; L209-F228 HydrophobicContact CD2-CE1 3.93Å; L209-F228 HydrophobicContact CD2-CE2 4.32Å; L209-F228 HydrophobicContact CD2-CG 4.1Å; L209-F228 HydrophobicContact CD2-CZ 4.13Å; L209-F228 HydrophobicContact CG-CD2 4.27Å; L209-F228 HydrophobicContact CG-CE2 4.4Å; L209-F228 HydrophobicContact CG-CG 4.39Å; I224-F228 WeakPolarHBondContact O-CB 3.49Å; I224-F228 PolarHBondContact O-N 2.96Å; L225-F228 PolarHBondContact O-N 3.22Å; H226-F228 VanDerWaalsContact C-N 3.27Å; H226-F228 PolarHBondContact O-N 2.94Å; F228-D230 VanDerWaalsContact C-N 3.32Å; F228-L231 WeakPolarHBondContact O-CB 3.4Å; F228-L231 PolarHBondContact O-N 3.05Å; F228-W232 PolarHBondContact O-N 3.46Å |
| 229 | A | 92.3 | Very high | 84 | Confident | 46 Ų | 46 | 66.8 Ų | 66.8 | 38% | 0.38 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L225 H226 W232 T233 | L225-A229 WeakPolarHBondContact O-CB 3.43Å; L225-A229 PolarHBondContact O-N 3.23Å; H226-A229 PolarHBondContact O-N 3.45Å; A229-W232 WeakPolarHBondContact O-CB 3.44Å; A229-W232 PolarHBondContact O-N 3.46Å; A229-T233 WeakPolarHBondContact O-CB 3.32Å; A229-T233 WeakPolarHBondContact O-CG2 3.42Å; A229-T233 PolarHBondContact O-N 3.43Å; A229-T233 PolarHBondContact O-OG1 3.31Å |
| 230 | D | 90.8 | Very high | 82.2 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.5 | -99.6 | 30.6 | 0 | 0 | 0 | 111.8 | Y183 H226 A227 F228 W232 T233 R234 | Y183-D230 WeakPolarHBondContact OH-CB 3.46Å; Y183-D230 PolarHBondContact OH-OD1 3.36Å; Y183-D230 PolarHBondContact OH-OD2 3.29Å; H226-D230 PolarHBondContact O-N 3.28Å; A227-D230 PolarHBondContact O-N 3.43Å; F228-D230 VanDerWaalsContact C-N 3.32Å; D230-W232 VanDerWaalsContact C-N 3.27Å; D230-W232 PolarHBondContact O-N 3.48Å; D230-T233 WeakPolarHBondContact CA-OG1 3.46Å; D230-T233 PolarHBondContact O-N 3.44Å; D230-T233 PolarHBondContact O-OG1 3.02Å; D230-R234 WeakPolarHBondContact O-CB 3.33Å; D230-R234 PolarHBondContact O-N 3.02Å |
| 231 | L | 88.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 174.5 | -175.9 | 125.4 | 0 | 0 | 0 | 111.6 | M190 V191 V194 L205 A227 F228 N235 | M190-L231 HydrophobicContact CB-CD1 3.95Å; V191-L231 HydrophobicContact CB-CD1 4.32Å; V191-L231 HydrophobicContact CG2-CD1 3.6Å; V194-L231 HydrophobicContact CG2-CD1 4.27Å; V194-L231 HydrophobicContact CG2-CD2 4.3Å; L205-L231 HydrophobicContact CD1-CD2 3.73Å; L205-L231 HydrophobicContact CD2-CD2 4.34Å; A227-L231 PolarHBondContact O-N 3.43Å; F228-L231 WeakPolarHBondContact O-CB 3.4Å; F228-L231 PolarHBondContact O-N 3.05Å; L231-N235 WeakPolarHBondContact O-CB 3.44Å; L231-N235 PolarHBondContact O-N 3.19Å |
| 232 | W | 84.2 | Confident | 78 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 30% | 0.295 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 177.1 | -167.3 | -92.5 | 0 | 0 | 0 | 113.1 | W202 L205 F228 A229 D230 F238 | W202-W232 HydrophobicContact CD2-CH2 4.42Å; W202-W232 HydrophobicContact CE3-CE3 4.35Å; W202-W232 AromaticContact CE3-CH2 3.26Å; W202-W232 HydrophobicContact CE3-CH2 3.26Å; W202-W232 HydrophobicContact CE3-CZ2 4.35Å; W202-W232 AromaticContact CE3-CZ3 3.29Å; W202-W232 HydrophobicContact CE3-CZ3 3.29Å; W202-W232 AromaticContact CZ3-CE3 3.93Å; W202-W232 HydrophobicContact CZ3-CE3 3.93Å; W202-W232 AromaticContact CZ3-CH2 3.34Å; W202-W232 HydrophobicContact CZ3-CH2 3.34Å; W202-W232 HydrophobicContact CZ3-CZ2 4.12Å; W202-W232 AromaticContact CZ3-CZ3 3.26Å; W202-W232 HydrophobicContact CZ3-CZ3 3.26Å; L205-W232 HydrophobicContact CD2-CE3 3.65Å; L205-W232 HydrophobicContact CD2-CZ3 3.58Å; F228-W232 PolarHBondContact O-N 3.46Å; A229-W232 WeakPolarHBondContact O-CB 3.44Å; A229-W232 PolarHBondContact O-N 3.46Å; D230-W232 VanDerWaalsContact C-N 3.27Å; D230-W232 PolarHBondContact O-N 3.48Å; W232-F238 HydrophobicContact CD2-CB 3.85Å; W232-F238 VanDerWaalsContact CE2-O 3.29Å; W232-F238 HydrophobicContact CE3-CB 3.64Å; W232-F238 AromaticContact CE3-CD2 3.61Å; W232-F238 HydrophobicContact CE3-CD2 3.61Å; W232-F238 AromaticContact CE3-CG 3.87Å; W232-F238 HydrophobicContact CE3-CG 3.87Å; W232-F238 HydrophobicContact CH2-CB 3Å; W232-F238 AromaticContact CH2-CD1 3.9Å; W232-F238 HydrophobicContact CH2-CD1 3.9Å; W232-F238 AromaticContact CH2-CD2 3.94Å; W232-F238 HydrophobicContact CH2-CD2 3.94Å; W232-F238 AromaticContact CH2-CG 3.37Å; W232-F238 HydrophobicContact CH2-CG 3.37Å; W232-F238 HydrophobicContact CZ2-CB 3.21Å; W232-F238 HydrophobicContact CZ2-CG 4.1Å; W232-F238 VanDerWaalsContact CZ2-O 3.29Å; W232-F238 WeakPolarHBondContact CZ2-O 3.35Å; W232-F238 HydrophobicContact CZ3-CB 3.19Å; W232-F238 AromaticContact CZ3-CD1 3.97Å; W232-F238 HydrophobicContact CZ3-CD1 3.97Å; W232-F238 AromaticContact CZ3-CD2 3.23Å; W232-F238 HydrophobicContact CZ3-CD2 3.23Å; W232-F238 HydrophobicContact CZ3-CE2 4.06Å; W232-F238 AromaticContact CZ3-CG 3.18Å; W232-F238 HydrophobicContact CZ3-CG 3.18Å; W232-F238 PolarHBondContact NE1-O 2.95Å |
| 233 | T | 84.3 | Confident | 75.9 | Confident | 101 Ų | 101 | 69.8 Ų | 69.8 | 62% | 0.62 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -84.9 | -42.5 | -173 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | A229 D230 | A229-T233 WeakPolarHBondContact O-CB 3.32Å; A229-T233 WeakPolarHBondContact O-CG2 3.42Å; A229-T233 PolarHBondContact O-N 3.43Å; A229-T233 PolarHBondContact O-OG1 3.31Å; D230-T233 WeakPolarHBondContact CA-OG1 3.46Å; D230-T233 PolarHBondContact O-N 3.44Å; D230-T233 PolarHBondContact O-OG1 3.02Å |
| 234 | R | 77.7 | Confident | 73.3 | Confident | 173 Ų | 173 | 72.6 Ų | 72.6 | 65% | 0.653 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -85.2 | -34.7 | -172.7 | -171 | 174.9 | 179.5 | 175.1 | -1.8 | 113.1 | D230 G236 | D230-R234 WeakPolarHBondContact O-CB 3.33Å; D230-R234 PolarHBondContact O-N 3.02Å; R234-G236 VanDerWaalsContact C-N 3.33Å |
| 235 | N | 68.2 | Low | 70.7 | Confident | 64 Ų | 64 | 82 Ų | 82 | 34% | 0.342 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -89.9 | -3.5 | -175.6 | -62 | 14.9 | 0 | 0 | 0 | 112.4 | L231 L237 | L231-N235 WeakPolarHBondContact O-CB 3.44Å; L231-N235 PolarHBondContact O-N 3.19Å; N235-L237 HydrophobicContact CB-CD1 3.99Å; N235-L237 HydrophobicContact CB-CG 3.79Å; N235-L237 PolarHBondContact O-N 3Å |
| 236 | G | 64.6 | Low | 68.2 | Low | 48 Ų | 48 | 91.5 Ų | 91.5 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | trans | 60.2 | 12.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R234 F238 | R234-G236 VanDerWaalsContact C-N 3.33Å; G236-F238 PolarHBondContact O-N 2.99Å; G236-F238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | L | 61.2 | Low | 66.9 | Low | 75 Ų | 75 | 90.8 Ų | 90.8 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22 | -170.2 | -66.8 | 176.3 | 0 | 0 | 0 | 112.3 | V194 N235 | V194-L237 HydrophobicContact CG1-CD1 3.91Å; N235-L237 HydrophobicContact CB-CD1 3.99Å; N235-L237 HydrophobicContact CB-CG 3.79Å; N235-L237 PolarHBondContact O-N 3Å |
| 238 | F | 58.3 | Low | 65.5 | Low | 40 Ų | 40 | 95.6 Ų | 95.6 | 18% | 0.175 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -149.5 | 54.5 | -179.2 | -60.8 | -87.7 | 0 | 0 | 0 | 111.8 | Y200 L205 W232 G236 P240 | Y200-F238 WeakPolarHBondContact O-CE1 3.44Å; Y200-F238 WeakPolarHBondContact O-CZ 3.43Å; L205-F238 HydrophobicContact CD2-CD2 4.02Å; L205-F238 HydrophobicContact CD2-CE2 3.74Å; L205-F238 HydrophobicContact CD2-CZ 4.5Å; W232-F238 HydrophobicContact CD2-CB 3.85Å; W232-F238 VanDerWaalsContact CE2-O 3.29Å; W232-F238 HydrophobicContact CE3-CB 3.64Å; W232-F238 AromaticContact CE3-CD2 3.61Å; W232-F238 HydrophobicContact CE3-CD2 3.61Å; W232-F238 AromaticContact CE3-CG 3.87Å; W232-F238 HydrophobicContact CE3-CG 3.87Å; W232-F238 HydrophobicContact CH2-CB 3Å; W232-F238 AromaticContact CH2-CD1 3.9Å; W232-F238 HydrophobicContact CH2-CD1 3.9Å; W232-F238 AromaticContact CH2-CD2 3.94Å; W232-F238 HydrophobicContact CH2-CD2 3.94Å; W232-F238 AromaticContact CH2-CG 3.37Å; W232-F238 HydrophobicContact CH2-CG 3.37Å; W232-F238 HydrophobicContact CZ2-CB 3.21Å; W232-F238 HydrophobicContact CZ2-CG 4.1Å; W232-F238 VanDerWaalsContact CZ2-O 3.29Å; W232-F238 WeakPolarHBondContact CZ2-O 3.35Å; W232-F238 HydrophobicContact CZ3-CB 3.19Å; W232-F238 AromaticContact CZ3-CD1 3.97Å; W232-F238 HydrophobicContact CZ3-CD1 3.97Å; W232-F238 AromaticContact CZ3-CD2 3.23Å; W232-F238 HydrophobicContact CZ3-CD2 3.23Å; W232-F238 HydrophobicContact CZ3-CE2 4.06Å; W232-F238 AromaticContact CZ3-CG 3.18Å; W232-F238 HydrophobicContact CZ3-CG 3.18Å; W232-F238 PolarHBondContact NE1-O 2.95Å; G236-F238 PolarHBondContact O-N 2.99Å; G236-F238 VanDerWaalsContact O-N 3.11Å; F238-P240 VanDerWaalsContact O-CD 3.25Å; F238-P240 WeakPolarHBondContact O-CD 3.4Å |
| 239 | C | 55.6 | Low | 64 | Low | 99 Ų | 99 | 99.8 Ų | 99.8 | 67% | 0.669 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 116.1 | 158.3 | -166 | 0 | 0 | 0 | 0 | 107.1 | ||
| 240 | P | 53.8 | Low | 62.3 | Low | 90 Ų | 90 | 103 Ų | 103 | 58% | 0.584 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -57 | 141 | 170.3 | 24.6 | -32 | 0 | 0 | 0 | 108.2 | F238 S242 | F238-P240 VanDerWaalsContact O-CD 3.25Å; F238-P240 WeakPolarHBondContact O-CD 3.4Å; P240-S242 PolarHBondContact O-N 3.01Å |
| 241 | P | 51.6 | Low | 60.5 | Low | 121 Ų | 121 | 107.1 Ų | 107.1 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -53 | 121.4 | 172.1 | 23.4 | -32 | 0 | 0 | 0 | 107.1 | ||
| 242 | S | 47.2 | Very low | 58.7 | Low | 106 Ų | 106 | 114.1 Ų | 114.1 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | trans | -41.7 | 127.3 | -178.4 | -55.4 | 0 | 0 | 0 | 0 | 110 | P240 C244 | P240-S242 PolarHBondContact O-N 3.01Å; S242-C244 PolarHBondContact O-N 3.35Å | ||
| 243 | P | 49.5 | Very low | 56.8 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 75% | 0.747 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -62.7 | 126.6 | 174.3 | -15.5 | 28 | 0 | 0 | 0 | 108.8 | ||
| 244 | C | 39.6 | Very low | 54.7 | Low | 118 Ų | 118 | 117.9 Ų | 117.9 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | trans | 76 | 97.4 | 157.6 | -47.2 | 0 | 0 | 0 | 0 | 117.8 | S242 | S242-C244 PolarHBondContact O-N 3.35Š| ||
| 245 | Q | 40.8 | Very low | 52.8 | Low | 197 Ų | 197 | 113.3 Ų | 113.3 | 92% | 0.921 | 66% | 0.659 | S | S | * | * | trans | -131 | 80.8 | 139.1 | -74.5 | -95.2 | 8.3 | 0 | 0 | 106.4 | ||||
| 246 | F | 43.4 | Very low | 51.4 | Low | 287 Ų | 287 | 117.8 Ų | 117.8 | 100% | 1.259 | 69% | 0.688 | S | S | * | * | trans | -117.3 | 0 | 158.3 | -93.1 | -71.6 | 0 | 0 | 0 | 107.1 |
Retrieved 246 of 246 residues in 118.7 ms
(Link to these results)