| 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 | 43.7 | Very low | 44.5 | Very low | 239 Ų | 239 | 152.6 Ų | 152.6 | 100% | 1.177 | 83% | 0.825 | S | S | * | * | 0 | 86.4 | 0 | -70 | -69.8 | -176.4 | 0 | 0 | 108.5 | |||||
| 2 | P | 45.6 | Very low | 44.3 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | trans | -104.9 | 148.9 | 177.1 | 36.2 | -24.3 | 0 | 0 | 0 | 111.2 | ||||
| 3 | L | 49.7 | Very low | 44 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 95% | 0.948 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 86.6 | 157.7 | -79.6 | 177.8 | 0 | 0 | 0 | 108.7 | ||||
| 4 | D | 44.5 | Very low | 43.1 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -63 | 142.6 | 150.5 | -77.6 | -64 | 0 | 0 | 0 | 109.9 | ||||
| 5 | N | 47 | Very low | 42.6 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | trans | -176.3 | 106.7 | 132.1 | -93 | -26.3 | 0 | 0 | 0 | 109.5 | ||||
| 6 | Q | 47.2 | Very low | 41.9 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 70% | 0.696 | 82% | 0.815 | S | S | * | * | 66.6 | 104.5 | 88.6 | -111.3 | -169.6 | 59.9 | 0 | 0 | 114.8 | |||||
| 7 | A | 48.4 | Very low | 41.5 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -172.4 | 99.5 | 133.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | K | 49.5 | Very low | 40.9 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | 52.8 | 103.7 | 87.3 | -65.8 | 172.7 | 179.1 | 164.4 | 0 | 109.8 | |||||
| 9 | G | 36.2 | Very low | 40.4 | Very low | 76 Ų | 76 | 144.7 Ų | 144.7 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | cis | 81.3 | 76.2 | 49.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | T | 42.1 | Very low | 40.2 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -140.2 | 105 | 166.6 | 36.4 | 0 | 0 | 0 | 0 | 110.5 | A12 | T10-A12 PolarHBondContact O-N 3.27Š| ||
| 11 | R | 35.6 | Very low | 39.7 | Very low | 250 Ų | 250 | 147.4 Ų | 147.4 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -68 | 109.8 | 168.5 | -162.7 | 179.4 | -168.6 | -174.5 | 3.1 | 107.3 | ||||
| 12 | A | 41.9 | Very low | 39.4 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 138.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T10 | T10-A12 PolarHBondContact O-N 3.27Š| ||
| 13 | P | 40.1 | Very low | 38.7 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -92.3 | 157.5 | -163.9 | 32.8 | -24.7 | 0 | 0 | 0 | 113.1 | A15 | P13-A15 PolarHBondContact O-N 2.99Š| ||
| 14 | H | 31.9 | Very low | 38.4 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -40.5 | 96.3 | 171.8 | -146.1 | -80.3 | 0 | 0 | 0 | 113.5 | K16 | H14-K16 PolarHBondContact O-N 3.24Å; H14-K16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | A | 35.4 | Very low | 38 | Very low | 99 Ų | 99 | 150 Ų | 150 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -79 | 96.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P13 A17 | P13-A15 PolarHBondContact O-N 2.99Å; A15-A17 PolarHBondContact O-N 2.87Å | ||
| 16 | K | 32.3 | Very low | 37.2 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | trans | -64.8 | 105.2 | 165.5 | -73.5 | 176.2 | 176.1 | 176.2 | 0 | 108.5 | H14 H18 | H14-K16 PolarHBondContact O-N 3.24Å; H14-K16 VanDerWaalsContact O-N 3.15Å; K16-H18 PolarHBondContact O-N 2.69Å | ||
| 17 | A | 34 | Very low | 36.4 | Very low | 100 Ų | 100 | 155 Ų | 155 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -74.6 | 91.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A15 C19 | A15-A17 PolarHBondContact O-N 2.87Å; A17-C19 PolarHBondContact O-N 2.71Å | ||
| 18 | H | 31 | Very low | 35.5 | Very low | 177 Ų | 177 | 156.8 Ų | 156.8 | 82% | 0.819 | 81% | 0.81 | S | S | * | * | trans | -78.5 | 89.6 | 166.3 | -136.7 | -89 | 0 | 0 | 0 | 107.4 | K16 | K16-H18 PolarHBondContact O-N 2.69Š| ||
| 19 | C | 31.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 154 Ų | 154 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -94.5 | 117.1 | 176.7 | -147.8 | 0 | 0 | 0 | 0 | 110.2 | A17 | A17-C19 PolarHBondContact O-N 2.71Š| ||
| 20 | L | 35.3 | Very low | 34.3 | Very low | 146 Ų | 146 | 155.8 Ų | 155.8 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -51.7 | 134.5 | -174.3 | -87.9 | 75.5 | 0 | 0 | 0 | 113.2 | K22 | L20-K22 PolarHBondContact O-N 3.35Š| ||
| 21 | K | 31.4 | Very low | 34 | Very low | 200 Ų | 200 | 159.8 Ų | 159.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 86.2 | 166.4 | -165 | 100.4 | 175.4 | -179 | 0 | 110 | ||||
| 22 | K | 36.4 | Very low | 33.9 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | -98.9 | 109.2 | 160.1 | -97.7 | -173.2 | 176.6 | -176.7 | 0 | 109.1 | L20 H24 | L20-K22 PolarHBondContact O-N 3.35Å; K22-H24 PolarHBondContact O-N 2.83Å | ||
| 23 | R | 31.1 | Very low | 33.6 | Very low | 231 Ų | 231 | 151.4 Ų | 151.4 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -62.4 | 118 | 163.8 | -68.1 | -177.1 | -176.1 | -173 | 1.3 | 107.3 | ||||
| 24 | H | 44 | Very low | 33.5 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -139.3 | 141.1 | 157.6 | -108.4 | -83.6 | 0 | 0 | 0 | 109.2 | K22 | K22-H24 PolarHBondContact O-N 2.83Š| ||
| 25 | D | 35.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -49.2 | 137.3 | -170.9 | -93.6 | -58.9 | 0 | 0 | 0 | 116 | H27 | D25-H27 PolarHBondContact O-N 3.31Š| ||
| 26 | R | 29.9 | Very low | 33.4 | Very low | 217 Ų | 217 | 151 Ų | 151 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | trans | 5.2 | 105.4 | 139.7 | -67.7 | -177.8 | -104.6 | -147.6 | -3.2 | 116.3 | ||||
| 27 | H | 30.6 | Very low | 33.6 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 83% | 0.833 | 75% | 0.749 | S | S | * | * | trans | -153 | 90.8 | 139.5 | -120 | -97.2 | 0 | 0 | 0 | 108 | D25 T29 | D25-H27 PolarHBondContact O-N 3.31Å; H27-T29 PolarHBondContact O-N 3.33Å | ||
| 28 | V | 29.3 | Very low | 33.5 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | -83.9 | 92.5 | 167.9 | -174.1 | 0 | 0 | 0 | 0 | 106.4 | I30 | V28-I30 VanDerWaalsContact C-N 3.26Å; V28-I30 HydrophobicContact CB-CG1 4.5Å; V28-I30 HydrophobicContact CG1-CD1 4.19Å; V28-I30 HydrophobicContact CG1-CG1 3.53Å; V28-I30 PolarHBondContact O-N 3.29Å | ||
| 29 | T | 30.7 | Very low | 33.4 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | -73.1 | 86.5 | 168.3 | -50 | 0 | 0 | 0 | 0 | 107.7 | H27 R31 | H27-T29 PolarHBondContact O-N 3.33Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 HydrophobicContact CG2-CG 4.33Å; T29-R31 PolarHBondContact O-N 3.34Å | ||
| 30 | I | 30.7 | Very low | 33.5 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 58% | 0.579 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 94.1 | 168.9 | -54.3 | -176.1 | 0 | 0 | 0 | 106.6 | V28 H32 | V28-I30 VanDerWaalsContact C-N 3.26Å; V28-I30 HydrophobicContact CB-CG1 4.5Å; V28-I30 HydrophobicContact CG1-CD1 4.19Å; V28-I30 HydrophobicContact CG1-CG1 3.53Å; V28-I30 PolarHBondContact O-N 3.29Å; I30-H32 PolarHBondContact O-N 2.89Å | ||
| 31 | R | 34.8 | Very low | 33.3 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 85% | 0.849 | 75% | 0.747 | S | S | * | * | trans | -65.9 | 98.9 | 166 | -75.4 | -170.6 | 172.8 | -165.6 | -1.5 | 107.7 | T29 | T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 HydrophobicContact CG2-CG 4.33Å; T29-R31 PolarHBondContact O-N 3.34Å | ||
| 32 | H | 33.3 | Very low | 33.5 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 29% | 0.287 | 75% | 0.748 | S | S | . | * | trans | -65.1 | 129.9 | 175.1 | -154.4 | -90.7 | 0 | 0 | 0 | 108.9 | I30 L34 | I30-H32 PolarHBondContact O-N 2.89Å; H32-L34 PolarHBondContact O-N 3.04Å | ||
| 33 | P | 36.8 | Very low | 33.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 1.4 | -168.6 | -18.6 | 31 | 0 | 0 | 0 | 116.1 | ||
| 34 | L | 37.7 | Very low | 33.5 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 9.3 | -172.3 | -71.1 | 168.7 | 0 | 0 | 0 | 114.4 | H32 L194 | H32-L34 PolarHBondContact O-N 3.04Å; L34-L194 HydrophobicContact CD1-CD1 4.04Å |
| 35 | I | 34.6 | Very low | 32.7 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -103.4 | -7.4 | 172.1 | -61.6 | 175.7 | 0 | 0 | 0 | 112 | V37 | I35-V37 PolarHBondContact O-N 3.44Š|
| 36 | T | 31 | Very low | 32.3 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | trans | -90.7 | 82.8 | 169.3 | -2.3 | 0 | 0 | 0 | 0 | 109.4 | G38 | T36-G38 PolarHBondContact O-N 3.23Š| ||
| 37 | V | 36 | Very low | 32.4 | Very low | 140 Ų | 140 | 131 Ų | 131 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 113.8 | 164 | -171.7 | 0 | 0 | 0 | 0 | 107.4 | I35 | I35-V37 PolarHBondContact O-N 3.44Š| ||
| 38 | G | 31.5 | Very low | 32.3 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | 49.2 | 82.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | T36 | T36-G38 PolarHBondContact O-N 3.23Š| ||
| 39 | A | 30.2 | Very low | 32.5 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | -114.7 | 77.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 40 | A | 33.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -147 | 128.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 41 | D | 31.5 | Very low | 32.7 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 66 | 84.8 | -178.7 | -65.9 | -24.3 | 0 | 0 | 0 | 117.9 | ||||
| 42 | V | 34.8 | Very low | 32.4 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -115.1 | 84.5 | 154.8 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 43 | D | 31.2 | Very low | 32.4 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -124.7 | 135.4 | 160.5 | -87.8 | -39.6 | 0 | 0 | 0 | 108 | ||||
| 44 | H | 36.5 | Very low | 32 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | 89.2 | 85.8 | 177.3 | -70.2 | 68.7 | 0 | 0 | 0 | 119.7 | ||||
| 45 | C | 26.1 | Very low | 31.6 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | 39.4 | 128 | 119.7 | -73.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 46 | H | 28.5 | Very low | 31.3 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 68.5 | 93.2 | 145.9 | -72.1 | -64.2 | 0 | 0 | 0 | 119.3 | ||||
| 47 | S | 31.5 | Very low | 31.1 | Very low | 121 Ų | 121 | 156.3 Ų | 156.3 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | -168.9 | 128.1 | 126.2 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | R49 | S47-R49 PolarHBondContact O-N 3.27Š| |||
| 48 | E | 27.5 | Very low | 30.6 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -68.4 | 118 | 178.9 | -57 | -169.1 | 151.6 | 0 | 0 | 111.4 | ||||
| 49 | R | 33.8 | Very low | 30.5 | Very low | 227 Ų | 227 | 156.4 Ų | 156.4 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -162.2 | 135.3 | 140.6 | -66.1 | -155.7 | -172.3 | -153.1 | -0.2 | 110.4 | S47 Y51 | S47-R49 PolarHBondContact O-N 3.27Å; R49-Y51 PolarHBondContact O-N 3.25Å | ||
| 50 | P | 34.5 | Very low | 30.4 | Very low | 131 Ų | 131 | 160.3 Ų | 160.3 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -75.7 | 116.2 | 171.9 | 30.4 | -28.4 | 0 | 0 | 0 | 109 | D52 | P50-D52 PolarHBondContact O-N 3.05Š| ||
| 51 | Y | 31.1 | Very low | 30.2 | Very low | 231 Ų | 231 | 161.8 Ų | 161.8 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -74.7 | 114.3 | 171.1 | -112.6 | -91.7 | 0 | 0 | 0 | 109.4 | R49 R53 | R49-Y51 PolarHBondContact O-N 3.25Å; Y51-R53 PolarHBondContact O-N 3.44Å | ||
| 52 | D | 29.5 | Very low | 30.4 | Very low | 124 Ų | 124 | 162.2 Ų | 162.2 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 120.9 | 173.8 | -169.5 | -9.1 | 0 | 0 | 0 | 110 | P50 R54 | P50-D52 PolarHBondContact O-N 3.05Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 PolarHBondContact O-N 3.19Å; D52-R54 WeakPolarHBondContact OD1-CB 3.43Å; D52-R54 WeakPolarHBondContact OD1-CG 3.36Å; D52-R54 PolarHBondContact OD1-N 2.93Å; D52-R54 VanDerWaalsContact OD1-N 3.16Å | ||
| 53 | R | 32.8 | Very low | 30.4 | Very low | 250 Ų | 250 | 161.7 Ų | 161.7 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -92.5 | 25.1 | -178 | -147.8 | -176.7 | -145.4 | -170.1 | 6.9 | 112.5 | Y51 | Y51-R53 PolarHBondContact O-N 3.44Š| ||
| 54 | R | 28.7 | Very low | 30.4 | Very low | 209 Ų | 209 | 161 Ų | 161 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | trans | -100.4 | 76.9 | 174 | -69.6 | -177.6 | -178.2 | -148.5 | 1.7 | 110.9 | D52 | D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 PolarHBondContact O-N 3.19Å; D52-R54 WeakPolarHBondContact OD1-CB 3.43Å; D52-R54 WeakPolarHBondContact OD1-CG 3.36Å; D52-R54 PolarHBondContact OD1-N 2.93Å; D52-R54 VanDerWaalsContact OD1-N 3.16Å | ||
| 55 | L | 30 | Very low | 30.2 | Very low | 162 Ų | 162 | 156.2 Ų | 156.2 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -154.7 | 127.5 | 158.7 | -130.9 | 73.8 | 0 | 0 | 0 | 110.2 | ||||
| 56 | S | 28.1 | Very low | 30.6 | Very low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 83.5 | 56.3 | 165 | 75 | 0 | 0 | 0 | 0 | 120.3 | ||
| 57 | Y | 26.8 | Very low | 30.7 | Very low | 217 Ų | 217 | 152.3 Ų | 152.3 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -139.7 | 80.5 | 143.8 | -72.7 | -79.1 | 0 | 0 | 0 | 109.5 | C59 | Y57-C59 PolarHBondContact O-N 3.42Š| ||
| 58 | T | 25.9 | Very low | 30.8 | Very low | 141 Ų | 141 | 152.3 Ų | 152.3 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | -87.3 | 84 | 164.6 | 52.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 59 | C | 28.3 | Very low | 31.1 | Very low | 77 Ų | 77 | 146.9 Ų | 146.9 | 52% | 0.52 | 75% | 0.752 | S | S | . | * | trans | -108.3 | 107.3 | 162 | -81.5 | 0 | 0 | 0 | 0 | 107.4 | Y57 | Y57-C59 PolarHBondContact O-N 3.42Š| ||
| 60 | F | 28 | Very low | 31.2 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | trans | 1.2 | 97.9 | 169.6 | -90 | -95.5 | 0 | 0 | 0 | 117.1 | ||||
| 61 | P | 29.8 | Very low | 31.5 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -101.1 | 72.3 | 166.8 | 36.3 | -25.2 | 0 | 0 | 0 | 109.5 | ||||
| 62 | E | 35.6 | Very low | 31.6 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -154.2 | -14.1 | 170.3 | -121.2 | 163.2 | -168.2 | 0 | 0 | 116.5 | ||
| 63 | E | 34.2 | Very low | 32.5 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 64% | 0.64 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -111 | 9.4 | 179.9 | -65.1 | -168 | 163.3 | 0 | 0 | 114.6 | R224 | E63-R224 VanDerWaalsContact O-CZ 3.32Å; E63-R224 PolarHBondContact O-NH1 3.33Å; E63-R224 PolarHBondContact O-NH2 2.9Å |
| 64 | M | 32.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 62% | 0.621 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -96.7 | -5.2 | 178.7 | -132 | 135.3 | 151.6 | 0 | 0 | 113.2 | T66 C67 R224 | M64-T66 PolarHBondContact O-N 2.79Å; M64-C67 PolarHBondContact O-N 3.22Å; M64-R224 VanDerWaalsContact CG-NH2 3.3Å; M64-R224 PolarHBondContact SD-NH2 2.88Å; M64-R224 VanDerWaalsContact SD-NH2 3.41Å |
| 65 | S | 32.1 | Very low | 34.5 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -15.3 | -175.9 | -30.4 | 0 | 0 | 0 | 0 | 114.3 | T68 | S65-T68 WeakPolarHBondContact O-CG2 3.43Å; S65-T68 PolarHBondContact O-OG1 2.8Å |
| 66 | T | 33.2 | Very low | 35.4 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 0.5 | 179.9 | 33.3 | 0 | 0 | 0 | 0 | 114.3 | M64 T68 | M64-T66 PolarHBondContact O-N 2.79Å; T66-T68 VanDerWaalsContact C-N 3.33Å |
| 67 | C | 31.3 | Very low | 36.4 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 58% | 0.581 | 68% | 0.678 | S | S | * | * | trans | -99.7 | 42.7 | 167.4 | -74.2 | 0 | 0 | 0 | 0 | 111.1 | M64 G69 | M64-C67 PolarHBondContact O-N 3.22Å; C67-G69 PolarHBondContact O-N 3.28Å | ||
| 68 | T | 33.3 | Very low | 37.8 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | trans | -96.8 | 70.3 | 176.7 | 42.4 | 0 | 0 | 0 | 0 | 109.4 | S65 T66 | S65-T68 WeakPolarHBondContact O-CG2 3.43Å; S65-T68 PolarHBondContact O-OG1 2.8Å; T66-T68 VanDerWaalsContact C-N 3.33Å | ||
| 69 | G | 34.5 | Very low | 39.3 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -165.7 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | C67 | C67-G69 PolarHBondContact O-N 3.28Š|
| 70 | L | 36 | Very low | 40.7 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -116.3 | 132.9 | 179.7 | -65.7 | 173.8 | 0 | 0 | 0 | 110.5 | Y72 | L70-Y72 VanDerWaalsContact C-N 3.35Å; L70-Y72 PolarHBondContact O-N 3.21Å |
| 71 | P | 39.7 | Very low | 42.1 | Very low | 121 Ų | 121 | 110.6 Ų | 110.6 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | trans | -68.7 | 92.1 | 178.8 | 28.4 | -32.2 | 0 | 0 | 0 | 109.6 | T73 | P71-T73 PolarHBondContact O-N 3.49Š| ||
| 72 | Y | 33.7 | Very low | 43.4 | Very low | 155 Ų | 155 | 107 Ų | 107 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | trans | -87.1 | 82.7 | -172.4 | -144.6 | -103.4 | 0 | 0 | 0 | 110.2 | L70 T75 | L70-Y72 VanDerWaalsContact C-N 3.35Å; L70-Y72 PolarHBondContact O-N 3.21Å; Y72-T75 WeakPolarHBondContact CD1-OG1 3.48Å; Y72-T75 HydrophobicContact CD2-CG2 4.27Å; Y72-T75 HydrophobicContact CE1-CG2 4.22Å; Y72-T75 WeakPolarHBondContact CE1-OG1 3.38Å; Y72-T75 HydrophobicContact CE2-CG2 3.61Å; Y72-T75 PolarHBondContact OH-OG1 2.94Å | ||
| 73 | T | 49.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 102 Ų | 102 | 72% | 0.718 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -127.3 | 0.6 | 169.1 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | P71 | P71-T73 PolarHBondContact O-N 3.49Š|
| 74 | S | 53.7 | Low | 45.8 | Very low | 72 Ų | 72 | 98.2 Ų | 98.2 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -106.7 | -32.1 | -171.9 | -163.6 | 0 | 0 | 0 | 0 | 114.2 | E76 R77 V78 | S74-E76 PolarHBondContact O-N 3.13Å; S74-R77 PolarHBondContact O-N 3.02Å; S74-V78 WeakPolarHBondContact O-CG2 3.19Å; S74-V78 PolarHBondContact O-N 3.21Å |
| 75 | T | 49.9 | Very low | 47 | Very low | 44 Ų | 44 | 99.5 Ų | 99.5 | 27% | 0.27 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -41.1 | -174.3 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | Y72 R77 V78 I79 | Y72-T75 WeakPolarHBondContact CD1-OG1 3.48Å; Y72-T75 HydrophobicContact CD2-CG2 4.27Å; Y72-T75 HydrophobicContact CE1-CG2 4.22Å; Y72-T75 WeakPolarHBondContact CE1-OG1 3.38Å; Y72-T75 HydrophobicContact CE2-CG2 3.61Å; Y72-T75 PolarHBondContact OH-OG1 2.94Å; T75-R77 VanDerWaalsContact C-N 3.27Å; T75-R77 PolarHBondContact O-N 3.26Å; T75-V78 PolarHBondContact O-N 3.25Å; T75-I79 WeakPolarHBondContact O-CB 3.37Å; T75-I79 WeakPolarHBondContact O-CD1 3.44Å; T75-I79 WeakPolarHBondContact O-CG1 3.46Å; T75-I79 PolarHBondContact O-N 3.26Å |
| 76 | E | 48.6 | Very low | 48.1 | Very low | 158 Ų | 158 | 97 Ų | 97 | 74% | 0.738 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.8 | -36.3 | 175.1 | -67.7 | -174 | 154.3 | 0 | 0 | 111.9 | S74 S80 | S74-E76 PolarHBondContact O-N 3.13Å; E76-S80 VanDerWaalsContact O-CB 3.23Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.46Å |
| 77 | R | 49 | Very low | 49.1 | Very low | 186 Ų | 186 | 92.1 Ų | 92.1 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -70.3 | -45.7 | 175.8 | -70.8 | -175.5 | -179.9 | -162.6 | 0.3 | 111.8 | S74 T75 I79 S80 D81 | S74-R77 PolarHBondContact O-N 3.02Å; T75-R77 VanDerWaalsContact C-N 3.27Å; T75-R77 PolarHBondContact O-N 3.26Å; R77-I79 VanDerWaalsContact C-N 3.31Å; R77-I79 PolarHBondContact O-N 3.37Å; R77-S80 PolarHBondContact O-N 2.95Å; R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 VanDerWaalsContact O-CG 3.3Å; R77-D81 PolarHBondContact O-N 3.47Å |
| 78 | V | 56.1 | Low | 50.4 | Low | 74 Ų | 74 | 91.3 Ų | 91.3 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 177.4 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | S74 T75 D81 C82 | S74-V78 WeakPolarHBondContact O-CG2 3.19Å; S74-V78 PolarHBondContact O-N 3.21Å; T75-V78 PolarHBondContact O-N 3.25Å; V78-D81 PolarHBondContact O-N 2.95Å; V78-C82 VanDerWaalsContact O-CB 3.27Å; V78-C82 WeakPolarHBondContact O-CB 3.49Å; V78-C82 PolarHBondContact O-N 2.95Å; V78-C82 PolarHBondContact O-SG 2.67Å |
| 79 | I | 57.1 | Low | 51.3 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 176.6 | -66.8 | 164.6 | 0 | 0 | 0 | 110.6 | T75 R77 C82 L83 | T75-I79 WeakPolarHBondContact O-CB 3.37Å; T75-I79 WeakPolarHBondContact O-CD1 3.44Å; T75-I79 WeakPolarHBondContact O-CG1 3.46Å; T75-I79 PolarHBondContact O-N 3.26Å; R77-I79 VanDerWaalsContact C-N 3.31Å; R77-I79 PolarHBondContact O-N 3.37Å; I79-C82 PolarHBondContact O-N 3.4Å; I79-L83 HydrophobicContact CG2-CD1 3.89Å; I79-L83 HydrophobicContact CG2-CG 4.42Å; I79-L83 WeakPolarHBondContact O-CB 3.5Å; I79-L83 VanDerWaalsContact O-CG 3.24Å; I79-L83 WeakPolarHBondContact O-CG 3.46Å; I79-L83 PolarHBondContact O-N 2.93Å |
| 80 | S | 58.3 | Low | 52.1 | Low | 57 Ų | 57 | 91.5 Ų | 91.5 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 112 | E76 R77 L83 I84 | E76-S80 VanDerWaalsContact O-CB 3.23Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.46Å; R77-S80 PolarHBondContact O-N 2.95Å; S80-L83 PolarHBondContact O-N 3.32Å; S80-I84 WeakPolarHBondContact O-CB 3.27Å; S80-I84 WeakPolarHBondContact O-CD1 3.41Å; S80-I84 WeakPolarHBondContact O-CG1 3.28Å; S80-I84 PolarHBondContact O-N 2.85Å |
| 81 | D | 56.3 | Low | 52.6 | Low | 105 Ų | 105 | 90.8 Ų | 90.8 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67 | -39.9 | -179.3 | -71.3 | -15.7 | 0 | 0 | 0 | 111.4 | R77 V78 I84 Y85 | R77-D81 WeakPolarHBondContact O-CB 3.44Å; R77-D81 VanDerWaalsContact O-CG 3.3Å; R77-D81 PolarHBondContact O-N 3.47Å; V78-D81 PolarHBondContact O-N 2.95Å; D81-I84 PolarHBondContact O-N 2.88Å; D81-Y85 VanDerWaalsContact O-CB 3.23Å; D81-Y85 WeakPolarHBondContact O-CB 3.32Å; D81-Y85 PolarHBondContact O-N 3.36Å |
| 82 | C | 56.7 | Low | 52.8 | Low | 47 Ų | 47 | 87.7 Ų | 87.7 | 32% | 0.318 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.7 | -75.8 | 0 | 0 | 0 | 0 | 112.2 | V78 I79 Y85 A86 C201 | V78-C82 VanDerWaalsContact O-CB 3.27Å; V78-C82 WeakPolarHBondContact O-CB 3.49Å; V78-C82 PolarHBondContact O-N 2.95Å; V78-C82 PolarHBondContact O-SG 2.67Å; I79-C82 PolarHBondContact O-N 3.4Å; C82-Y85 PolarHBondContact O-N 3.2Å; C82-A86 VanDerWaalsContact O-CB 3.31Å; C82-A86 WeakPolarHBondContact O-CB 3.48Å; C82-A86 PolarHBondContact O-N 3.23Å; C82-C201 VanDerWaalsContact CB-SG 3.55Å |
| 83 | L | 58.5 | Low | 53.3 | Low | 60 Ų | 60 | 88.1 Ų | 88.1 | 31% | 0.314 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.8 | -74.9 | 171.4 | 0 | 0 | 0 | 111.6 | I79 S80 Y85 A86 T87 Y198 | I79-L83 HydrophobicContact CG2-CD1 3.89Å; I79-L83 HydrophobicContact CG2-CG 4.42Å; I79-L83 WeakPolarHBondContact O-CB 3.5Å; I79-L83 VanDerWaalsContact O-CG 3.24Å; I79-L83 WeakPolarHBondContact O-CG 3.46Å; I79-L83 PolarHBondContact O-N 2.93Å; S80-L83 PolarHBondContact O-N 3.32Å; L83-Y85 VanDerWaalsContact C-N 3.34Å; L83-Y85 PolarHBondContact O-N 3.19Å; L83-A86 PolarHBondContact O-N 2.91Å; L83-T87 WeakPolarHBondContact O-CG2 3.34Å; L83-T87 PolarHBondContact O-N 3.27Å; L83-T87 PolarHBondContact O-OG1 2.93Å; L83-T87 VanDerWaalsContact O-OG1 3.13Å; L83-Y198 HydrophobicContact CD2-CD2 3.86Å; L83-Y198 HydrophobicContact CD2-CE2 4.34Å |
| 84 | I | 63 | Low | 52.9 | Low | 56 Ų | 56 | 91.4 Ų | 91.4 | 29% | 0.287 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.3 | -69 | 165.1 | 0 | 0 | 0 | 110.8 | S80 D81 T87 S88 | S80-I84 WeakPolarHBondContact O-CB 3.27Å; S80-I84 WeakPolarHBondContact O-CD1 3.41Å; S80-I84 WeakPolarHBondContact O-CG1 3.28Å; S80-I84 PolarHBondContact O-N 2.85Å; D81-I84 PolarHBondContact O-N 2.88Å; I84-T87 PolarHBondContact O-N 3.44Å; I84-T87 PolarHBondContact O-OG1 3.16Å; I84-T87 VanDerWaalsContact O-OG1 3.13Å; I84-S88 WeakPolarHBondContact O-CB 3.48Å; I84-S88 PolarHBondContact O-N 3.42Å; I84-S88 PolarHBondContact O-OG 2.95Å |
| 85 | Y | 56.3 | Low | 52.7 | Low | 154 Ų | 154 | 93.5 Ų | 93.5 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 177.6 | -174.8 | -97.6 | 0 | 0 | 0 | 111.3 | D81 C82 L83 S88 H89 | D81-Y85 VanDerWaalsContact O-CB 3.23Å; D81-Y85 WeakPolarHBondContact O-CB 3.32Å; D81-Y85 PolarHBondContact O-N 3.36Å; C82-Y85 PolarHBondContact O-N 3.2Å; L83-Y85 VanDerWaalsContact C-N 3.34Å; L83-Y85 PolarHBondContact O-N 3.19Å; Y85-S88 PolarHBondContact O-N 3Å; Y85-H89 AromaticContact CE2-CD2 3.77Å; Y85-H89 PolarHBondContact O-N 3.47Å |
| 86 | A | 55.2 | Low | 52.2 | Low | 26 Ų | 26 | 100.5 Ų | 100.5 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C82 L83 | C82-A86 VanDerWaalsContact O-CB 3.31Å; C82-A86 WeakPolarHBondContact O-CB 3.48Å; C82-A86 PolarHBondContact O-N 3.23Å; L83-A86 PolarHBondContact O-N 2.91Å |
| 87 | T | 55.6 | Low | 51.8 | Low | 23 Ų | 23 | 98.1 Ų | 98.1 | 14% | 0.141 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -73.9 | -37.6 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 112.6 | L83 I84 L91 L194 | L83-T87 WeakPolarHBondContact O-CG2 3.34Å; L83-T87 PolarHBondContact O-N 3.27Å; L83-T87 PolarHBondContact O-OG1 2.93Å; L83-T87 VanDerWaalsContact O-OG1 3.13Å; I84-T87 PolarHBondContact O-N 3.44Å; I84-T87 PolarHBondContact O-OG1 3.16Å; I84-T87 VanDerWaalsContact O-OG1 3.13Å; T87-L91 WeakPolarHBondContact O-CD1 3.06Å; T87-L194 HydrophobicContact CG2-CD1 4.46Å; T87-L194 HydrophobicContact CG2-CG 4.15Å |
| 88 | S | 57.4 | Low | 51.4 | Low | 68 Ų | 68 | 94.9 Ų | 94.9 | 48% | 0.476 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -77.2 | -38.1 | -173.4 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | I84 Y85 | I84-S88 WeakPolarHBondContact O-CB 3.48Å; I84-S88 PolarHBondContact O-N 3.42Å; I84-S88 PolarHBondContact O-OG 2.95Å; Y85-S88 PolarHBondContact O-N 3Å |
| 89 | H | 52.9 | Low | 50.6 | Low | 112 Ų | 112 | 98.9 Ų | 98.9 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.1 | -18.7 | -170.4 | -123.3 | -88.6 | 0 | 0 | 0 | 114.6 | Y85 | Y85-H89 AromaticContact CE2-CD2 3.77Å; Y85-H89 PolarHBondContact O-N 3.47Å |
| 90 | K | 50.5 | Low | 49.8 | Very low | 85 Ų | 85 | 101.4 Ų | 101.4 | 37% | 0.37 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -91.9 | -34.7 | 174.9 | -90.6 | -176.4 | 177.7 | 161.5 | 0 | 113.3 | G92 K93 E200 | K90-G92 PolarHBondContact O-N 2.94Å; K90-K93 PolarHBondContact O-N 2.98Å; K90-E200 IonicContact NZ-OE1 2.8Å; K90-E200 PolarHBondContact NZ-OE1 3.05Å; K90-E200 IonicContact NZ-OE2 2.76Å; K90-E200 PolarHBondContact NZ-OE2 3.37Å |
| 91 | L | 47.5 | Very low | 48.9 | Very low | 116 Ų | 116 | 106.1 Ų | 106.1 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.3 | -37.2 | 176.9 | -76.6 | 167.9 | 0 | 0 | 0 | 112.7 | T87 K93 Y94 | T87-L91 WeakPolarHBondContact O-CD1 3.06Å; L91-K93 PolarHBondContact O-N 3.28Å; L91-Y94 PolarHBondContact O-N 3.47Å |
| 92 | G | 44.3 | Very low | 48.1 | Very low | 55 Ų | 55 | 107.7 Ų | 107.7 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -17.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K90 | K90-G92 PolarHBondContact O-N 2.94Š|
| 93 | K | 44.2 | Very low | 47.4 | Very low | 164 Ų | 164 | 112 Ų | 112 | 71% | 0.713 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -15.8 | -179.4 | -71.4 | -172.8 | 177.4 | -178.8 | 0 | 114 | K90 L91 | K90-K93 PolarHBondContact O-N 2.98Å; L91-K93 PolarHBondContact O-N 3.28Å |
| 94 | Y | 40.8 | Very low | 47 | Very low | 186 Ų | 186 | 114.4 Ų | 114.4 | 73% | 0.729 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -17.6 | -174.4 | -120.4 | -93.8 | 0 | 0 | 0 | 114.4 | L91 K96 T97 | L91-Y94 PolarHBondContact O-N 3.47Å; Y94-K96 PolarHBondContact O-N 3.37Å; Y94-T97 PolarHBondContact O-OG1 3Å |
| 95 | V | 48.2 | Very low | 45.9 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 71% | 0.709 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -74.2 | -11.6 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 112.7 | T97 | V95-T97 PolarHBondContact O-N 3.27Š|
| 96 | K | 40.3 | Very low | 45.3 | Very low | 191 Ų | 191 | 118.8 Ų | 118.8 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -89.9 | 17.3 | -171.3 | -160.6 | 160.2 | 179.9 | 175.1 | 0 | 115.6 | Y94 | Y94-K96 PolarHBondContact O-N 3.37Š|
| 97 | T | 38.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 66% | 0.663 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -122.2 | 19.3 | -172.9 | 42.3 | 0 | 0 | 0 | 0 | 116 | Y94 V95 | Y94-T97 PolarHBondContact O-OG1 3Å; V95-T97 PolarHBondContact O-N 3.27Å |
| 98 | T | 41.8 | Very low | 44.8 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 72% | 0.718 | 68% | 0.681 | S | S | * | * | trans | -135.3 | 60.1 | 175.2 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 99 | D | 38 | Very low | 43.9 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | -120.3 | 95.2 | 155.3 | -96.7 | -37.7 | 0 | 0 | 0 | 105.8 | ||||
| 100 | C | 41.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 134.2 Ų | 134.2 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -87.8 | 112.7 | 170.5 | -66.5 | 0 | 0 | 0 | 0 | 107.7 | D102 | C100-D102 PolarHBondContact O-N 2.88Š| ||
| 101 | D | 40 | Very low | 43.3 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -60.2 | 117.2 | 175.2 | -52.6 | -80.2 | 0 | 0 | 0 | 111.8 | ||||
| 102 | D | 38.9 | Very low | 43.1 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -103.5 | 81.7 | 161.6 | -171.8 | 20 | 0 | 0 | 0 | 109.9 | C100 T104 | C100-D102 PolarHBondContact O-N 2.88Å; D102-T104 PolarHBondContact O-N 3.41Å; D102-T104 VanDerWaalsContact O-N 3.11Å; D102-T104 WeakPolarHBondContact OD1-CB 3.41Å; D102-T104 PolarHBondContact OD1-OG1 3.33Å | ||
| 103 | E | 42.4 | Very low | 43.1 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | trans | -79.6 | 62.7 | 169.7 | -125.6 | -59.2 | 96.2 | 0 | 0 | 109.6 | R106 | E103-R106 IonicContact OE2-CZ 3.04Å; E103-R106 IonicContact OE2-NE 2.95Å; E103-R106 IonicContact OE2-NH2 3.67Å; E103-R106 PolarHBondContact OE2-NH2 3.46Å | ||
| 104 | T | 50.2 | Low | 43.5 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | trans | -136.2 | 52.1 | 176.3 | -35.4 | 0 | 0 | 0 | 0 | 113.4 | D102 | D102-T104 PolarHBondContact O-N 3.41Å; D102-T104 VanDerWaalsContact O-N 3.11Å; D102-T104 WeakPolarHBondContact OD1-CB 3.41Å; D102-T104 PolarHBondContact OD1-OG1 3.33Å | ||
| 105 | C | 39.2 | Very low | 44 | Very low | 104 Ų | 104 | 134 Ų | 134 | 70% | 0.703 | 73% | 0.732 | S | S | * | * | trans | -135.8 | 55.6 | 173.3 | -123.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 106 | R | 43.5 | Very low | 44.3 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | trans | -98.7 | 115.7 | 165 | -63 | -170.9 | -167.4 | -177.8 | 7.9 | 110.4 | E103 | E103-R106 IonicContact OE2-CZ 3.04Å; E103-R106 IonicContact OE2-NE 2.95Å; E103-R106 IonicContact OE2-NH2 3.67Å; E103-R106 PolarHBondContact OE2-NH2 3.46Å | ||
| 107 | I | 50.4 | Low | 45.1 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 62% | 0.621 | 72% | 0.717 | S | S | * | * | trans | -89.9 | 124.3 | 173.4 | -59.3 | 173 | 0 | 0 | 0 | 107.7 | T109 | I107-T109 PolarHBondContact O-N 2.92Š| ||
| 108 | P | 51.1 | Low | 46.1 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | trans | -73.2 | 122.1 | 171.1 | -13.9 | 28.6 | 0 | 0 | 0 | 110.8 | ||||
| 109 | T | 36.9 | Very low | 47.1 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -101.6 | 98.6 | 172.6 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | I107 | I107-T109 PolarHBondContact O-N 2.92Š| ||
| 110 | Q | 48.1 | Very low | 48.3 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 88% | 0.879 | 67% | 0.668 | S | S | * | * | trans | -157 | 142.7 | 164.4 | -58.2 | -176.6 | 31.9 | 0 | 0 | 106 | ||||
| 111 | S | 42.6 | Very low | 49.6 | Very low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 67% | 0.665 | S | S | * | * | cis | -166 | 160.5 | -19.1 | 47.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 112 | D | 43.6 | Very low | 50.8 | Low | 125 Ų | 125 | 128.5 Ų | 128.5 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | trans | 89.7 | 125.2 | 157.3 | -42.5 | -45.7 | 0 | 0 | 0 | 119.9 | V114 | D112-V114 PolarHBondContact O-N 2.87Š| ||
| 113 | E | 45.3 | Very low | 52.4 | Low | 183 Ų | 183 | 129.3 Ų | 129.3 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 5.6 | -147.8 | -68.5 | -174.5 | 119.1 | 0 | 0 | 116.6 | T115 | E113-T115 VanDerWaalsContact C-N 3.31Å; E113-T115 PolarHBondContact O-N 3.48Å |
| 114 | V | 51.1 | Low | 54.2 | Low | 148 Ų | 148 | 131.3 Ų | 131.3 | 90% | 0.897 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 3.4 | -175 | 178.9 | 0 | 0 | 0 | 0 | 113.1 | D112 | D112-V114 PolarHBondContact O-N 2.87Š|
| 115 | T | 51.7 | Low | 56 | Low | 62 Ų | 62 | 127.8 Ų | 127.8 | 38% | 0.38 | 64% | 0.639 | S | S | . | * | trans | -120.9 | 29.1 | -164.8 | -21.3 | 0 | 0 | 0 | 0 | 113 | E113 I117 G118 N119 | E113-T115 VanDerWaalsContact C-N 3.31Å; E113-T115 PolarHBondContact O-N 3.48Å; T115-I117 PolarHBondContact O-N 2.99Å; T115-G118 PolarHBondContact O-N 3.41Å; T115-N119 WeakPolarHBondContact CB-OD1 3.37Å; T115-N119 WeakPolarHBondContact CG2-OD1 3.49Å; T115-N119 WeakPolarHBondContact O-CA 3.22Å; T115-N119 WeakPolarHBondContact O-CB 3.23Å; T115-N119 PolarHBondContact O-N 2.92Å; T115-N119 PolarHBondContact O-OD1 2.9Å | ||
| 116 | T | 55.7 | Low | 58.3 | Low | 86 Ų | 86 | 127.4 Ų | 127.4 | 53% | 0.528 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.2 | -38.6 | -164 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | R120 | T116-R120 VanDerWaalsContact O-CG 3.28Å; T116-R120 WeakPolarHBondContact O-CG 3.39Å; T116-R120 PolarHBondContact O-N 2.74Å; T116-R120 VanDerWaalsContact O-N 3.16Å |
| 117 | I | 57 | Low | 60.4 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 70% | 0.703 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.3 | -42.6 | 177.2 | -62.9 | 167.5 | 0 | 0 | 0 | 111.1 | T115 N119 R120 R121 | T115-I117 PolarHBondContact O-N 2.99Å; I117-N119 VanDerWaalsContact C-N 3.32Å; I117-N119 PolarHBondContact O-N 3.48Å; I117-R120 PolarHBondContact O-N 3.49Å; I117-R121 PolarHBondContact O-N 3.39Å |
| 118 | G | 59.4 | Low | 62.4 | Low | 34 Ų | 34 | 120.7 Ų | 120.7 | 35% | 0.351 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.9 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T115 R121 R122 | T115-G118 PolarHBondContact O-N 3.41Å; G118-R121 PolarHBondContact O-N 3.45Å; G118-R122 WeakPolarHBondContact O-CB 3.21Å; G118-R122 VanDerWaalsContact O-CG 3.31Å; G118-R122 WeakPolarHBondContact O-CG 3.31Å; G118-R122 PolarHBondContact O-N 3.43Å |
| 119 | N | 61.9 | Low | 64.3 | Low | 51 Ų | 51 | 121.2 Ų | 121.2 | 27% | 0.273 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73.2 | -30.8 | 177.4 | -69.9 | 10.4 | 0 | 0 | 0 | 111.6 | T115 I117 R123 | T115-N119 WeakPolarHBondContact CB-OD1 3.37Å; T115-N119 WeakPolarHBondContact CG2-OD1 3.49Å; T115-N119 WeakPolarHBondContact O-CA 3.22Å; T115-N119 WeakPolarHBondContact O-CB 3.23Å; T115-N119 PolarHBondContact O-N 2.92Å; T115-N119 PolarHBondContact O-OD1 2.9Å; I117-N119 VanDerWaalsContact C-N 3.32Å; I117-N119 PolarHBondContact O-N 3.48Å; N119-R123 WeakPolarHBondContact O-CB 3.31Å; N119-R123 WeakPolarHBondContact O-CG 3.31Å; N119-R123 PolarHBondContact O-N 2.94Å; N119-R123 PolarHBondContact O-NE 3.47Å |
| 120 | R | 65 | Low | 67 | Low | 150 Ų | 150 | 119.8 Ų | 119.8 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.2 | -46.1 | 168.6 | -77.1 | 177.3 | -157 | -164.9 | 5.9 | 110.9 | T116 I117 R124 | T116-R120 VanDerWaalsContact O-CG 3.28Å; T116-R120 WeakPolarHBondContact O-CG 3.39Å; T116-R120 PolarHBondContact O-N 2.74Å; T116-R120 VanDerWaalsContact O-N 3.16Å; I117-R120 PolarHBondContact O-N 3.49Å; R120-R124 VanDerWaalsContact O-CB 3.27Å; R120-R124 WeakPolarHBondContact O-CB 3.44Å; R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.28Å |
| 121 | R | 66.8 | Low | 69.3 | Low | 212 Ų | 212 | 115.8 Ų | 115.8 | 80% | 0.8 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.2 | -40.8 | 178.7 | -166.8 | 174.6 | 179.5 | 178.5 | -0.6 | 112.2 | I117 G118 G125 | I117-R121 PolarHBondContact O-N 3.39Å; G118-R121 PolarHBondContact O-N 3.45Å; R121-G125 PolarHBondContact O-N 3.37Å |
| 122 | R | 66.1 | Low | 71.9 | Confident | 187 Ų | 187 | 117.6 Ų | 117.6 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -46 | 174.4 | -73 | -177.6 | -179.2 | -171.4 | 1.6 | 112.2 | G118 R124 G125 I126 | G118-R122 WeakPolarHBondContact O-CB 3.21Å; G118-R122 VanDerWaalsContact O-CG 3.31Å; G118-R122 WeakPolarHBondContact O-CG 3.31Å; G118-R122 PolarHBondContact O-N 3.43Å; R122-R124 PolarHBondContact O-N 2.9Å; R122-G125 WeakPolarHBondContact O-CA 3.39Å; R122-G125 PolarHBondContact O-N 3.47Å; R122-G125 VanDerWaalsContact O-N 3.09Å; R122-I126 PolarHBondContact O-N 3.33Å |
| 123 | R | 72 | Confident | 74.4 | Confident | 154 Ų | 154 | 115.5 Ų | 115.5 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.5 | -42 | 174.6 | -75.2 | -171.4 | -69.1 | -175.7 | -1.8 | 111.9 | N119 G125 I126 I127 | N119-R123 WeakPolarHBondContact O-CB 3.31Å; N119-R123 WeakPolarHBondContact O-CG 3.31Å; N119-R123 PolarHBondContact O-N 2.94Å; N119-R123 PolarHBondContact O-NE 3.47Å; R123-G125 VanDerWaalsContact C-N 3.29Å; R123-G125 PolarHBondContact O-N 3.19Å; R123-I126 PolarHBondContact O-N 2.8Å; R123-I127 VanDerWaalsContact O-CG1 3.32Å; R123-I127 WeakPolarHBondContact O-CG1 3.23Å; R123-I127 PolarHBondContact O-N 3.46Å |
| 124 | R | 80.7 | Confident | 76.9 | Confident | 181 Ų | 181 | 114.2 Ų | 114.2 | 68% | 0.683 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -41.5 | 171.7 | -75.3 | 172.3 | -176.2 | -155.4 | 0.5 | 111.4 | R120 R122 E128 | R120-R124 VanDerWaalsContact O-CB 3.27Å; R120-R124 WeakPolarHBondContact O-CB 3.44Å; R120-R124 WeakPolarHBondContact O-CG 3.36Å; R120-R124 PolarHBondContact O-N 3.28Å; R122-R124 PolarHBondContact O-N 2.9Å; R124-E128 VanDerWaalsContact O-CB 3.26Å; R124-E128 WeakPolarHBondContact O-CB 3.27Å; R124-E128 PolarHBondContact O-N 3.29Å |
| 125 | G | 87.7 | Confident | 78.9 | Confident | 36 Ų | 36 | 110.4 Ų | 110.4 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R121 R122 R123 K129 | R121-G125 PolarHBondContact O-N 3.37Å; R122-G125 WeakPolarHBondContact O-CA 3.39Å; R122-G125 PolarHBondContact O-N 3.47Å; R122-G125 VanDerWaalsContact O-N 3.09Å; R123-G125 VanDerWaalsContact C-N 3.29Å; R123-G125 PolarHBondContact O-N 3.19Å; G125-K129 WeakPolarHBondContact O-CB 3.34Å; G125-K129 PolarHBondContact O-N 3.2Å |
| 126 | I | 87.6 | Confident | 81 | Confident | 96 Ų | 96 | 111 Ų | 111 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 178.2 | -63.9 | 165.6 | 0 | 0 | 0 | 111.1 | R122 R123 E128 K129 R130 | R122-I126 PolarHBondContact O-N 3.33Å; R123-I126 PolarHBondContact O-N 2.8Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 2.76Å; I126-K129 PolarHBondContact O-N 3.41Å; I126-R130 WeakPolarHBondContact O-CG 3.4Å; I126-R130 PolarHBondContact O-N 3.5Å |
| 127 | I | 88 | Confident | 82.9 | Confident | 118 Ų | 118 | 112.7 Ų | 112.7 | 61% | 0.605 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 177.7 | -66.3 | 166.1 | 0 | 0 | 0 | 110.1 | R123 R130 R131 | R123-I127 VanDerWaalsContact O-CG1 3.32Å; R123-I127 WeakPolarHBondContact O-CG1 3.23Å; R123-I127 PolarHBondContact O-N 3.46Å; I127-R130 PolarHBondContact O-N 3.39Å; I127-R131 PolarHBondContact O-N 2.84Å |
| 128 | E | 93 | Very high | 84.7 | Confident | 61 Ų | 61 | 109.2 Ų | 109.2 | 29% | 0.285 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 178.2 | 177.2 | 54.3 | -158.4 | 0 | 0 | 112.2 | R124 I126 R131 R132 | R124-E128 VanDerWaalsContact O-CB 3.26Å; R124-E128 WeakPolarHBondContact O-CB 3.27Å; R124-E128 PolarHBondContact O-N 3.29Å; I126-E128 VanDerWaalsContact C-N 3.31Å; I126-E128 PolarHBondContact O-N 2.76Å; E128-R131 PolarHBondContact O-N 2.89Å; E128-R131 IonicContact OE1-CZ 3.47Å; E128-R131 IonicContact OE1-NE 3.54Å; E128-R131 PolarHBondContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 2.72Å; E128-R131 PolarHBondContact OE1-NH2 3.49Å; E128-R131 IonicContact OE2-CZ 3.59Å; E128-R131 IonicContact OE2-NE 3.72Å; E128-R131 PolarHBondContact OE2-NE 3.33Å; E128-R131 IonicContact OE2-NH2 3.93Å; E128-R132 WeakPolarHBondContact O-CG 3.43Å; E128-R132 PolarHBondContact O-N 3.22Å; E128-R132 WeakPolarHBondContact OE1-CG 3.39Å; E128-R132 IonicContact OE1-NH1 2.73Å |
| 129 | K | 89.4 | Confident | 86.3 | Confident | 126 Ų | 126 | 108.5 Ų | 108.5 | 55% | 0.548 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.3 | -51 | 171.4 | -176.8 | 178.1 | 175.8 | -176.4 | 0 | 110.7 | G125 I126 R131 R132 D133 | G125-K129 WeakPolarHBondContact O-CB 3.34Å; G125-K129 PolarHBondContact O-N 3.2Å; I126-K129 PolarHBondContact O-N 3.41Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 3.41Å; K129-R132 WeakPolarHBondContact O-CB 3.18Å; K129-R132 PolarHBondContact O-N 2.86Å; K129-R132 VanDerWaalsContact O-N 3.08Å; K129-D133 PolarHBondContact O-N 3.01Å |
| 130 | R | 93.9 | Very high | 87.7 | Confident | 98 Ų | 98 | 107.6 Ų | 107.6 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 176.9 | -70 | -179.8 | -177.9 | -176.1 | -1.9 | 112.8 | I126 I127 D133 R134 | I126-R130 WeakPolarHBondContact O-CG 3.4Å; I126-R130 PolarHBondContact O-N 3.5Å; I127-R130 PolarHBondContact O-N 3.39Å; R130-D133 PolarHBondContact O-N 2.87Å; R130-R134 WeakPolarHBondContact O-CG 3.31Å; R130-R134 PolarHBondContact O-N 3.25Å; R130-R134 VanDerWaalsContact O-N 3.08Å; R130-R134 PolarHBondContact O-NH1 2.98Å |
| 131 | R | 97.6 | Very high | 89 | Confident | 105 Ų | 105 | 105 Ų | 105 | 40% | 0.396 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.7 | -169.5 | -165.9 | 70.7 | 86.8 | 5.9 | 111.4 | I127 E128 K129 R134 I135 | I127-R131 PolarHBondContact O-N 2.84Å; E128-R131 PolarHBondContact O-N 2.89Å; E128-R131 IonicContact OE1-CZ 3.47Å; E128-R131 IonicContact OE1-NE 3.54Å; E128-R131 PolarHBondContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 2.72Å; E128-R131 PolarHBondContact OE1-NH2 3.49Å; E128-R131 IonicContact OE2-CZ 3.59Å; E128-R131 IonicContact OE2-NE 3.72Å; E128-R131 PolarHBondContact OE2-NE 3.33Å; E128-R131 IonicContact OE2-NH2 3.93Å; K129-R131 VanDerWaalsContact C-N 3.31Å; K129-R131 PolarHBondContact O-N 3.41Å; R131-R134 PolarHBondContact O-N 3.04Å; R131-I135 HydrophobicContact CG-CD1 4.38Å; R131-I135 WeakPolarHBondContact O-CG1 2.8Å; R131-I135 PolarHBondContact O-N 3.35Å; R131-I135 VanDerWaalsContact O-N 3.11Å |
| 132 | R | 96.6 | Very high | 90.4 | Very high | 120 Ų | 120 | 97.2 Ų | 97.2 | 45% | 0.453 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 177.2 | -72.3 | -176.2 | -65.3 | -133.3 | 1.1 | 112.3 | E128 K129 I135 N136 | E128-R132 WeakPolarHBondContact O-CG 3.43Å; E128-R132 PolarHBondContact O-N 3.22Å; E128-R132 WeakPolarHBondContact OE1-CG 3.39Å; E128-R132 IonicContact OE1-NH1 2.73Å; K129-R132 WeakPolarHBondContact O-CB 3.18Å; K129-R132 PolarHBondContact O-N 2.86Å; K129-R132 VanDerWaalsContact O-N 3.08Å; R132-I135 PolarHBondContact O-N 3.19Å; R132-N136 VanDerWaalsContact O-CG 3.3Å; R132-N136 PolarHBondContact O-N 3.46Å; R132-N136 PolarHBondContact O-ND2 3.48Å |
| 133 | D | 95.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 91.1 Ų | 91.1 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178 | -62.5 | -23.3 | 0 | 0 | 0 | 110.5 | K129 R130 I135 N136 H137 | K129-D133 PolarHBondContact O-N 3.01Å; R130-D133 PolarHBondContact O-N 2.87Å; D133-I135 PolarHBondContact O-N 3.38Å; D133-N136 PolarHBondContact O-N 2.92Å; D133-H137 WeakPolarHBondContact O-CB 3.19Å; D133-H137 PolarHBondContact O-N 3.43Å |
| 134 | R | 96.8 | Very high | 92.5 | Very high | 156 Ų | 156 | 88.1 Ų | 88.1 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 173 | -69 | -164.7 | -51.7 | -83.6 | 4.8 | 112.8 | R130 R131 N136 H137 C138 | R130-R134 WeakPolarHBondContact O-CG 3.31Å; R130-R134 PolarHBondContact O-N 3.25Å; R130-R134 VanDerWaalsContact O-N 3.08Å; R130-R134 PolarHBondContact O-NH1 2.98Å; R131-R134 PolarHBondContact O-N 3.04Å; R134-N136 VanDerWaalsContact C-N 3.35Å; R134-N136 PolarHBondContact O-N 3.17Å; R134-H137 WeakPolarHBondContact O-CB 3.32Å; R134-H137 PolarHBondContact O-N 2.94Å; R134-C138 PolarHBondContact O-N 3.06Å; R134-C138 PolarHBondContact O-SG 2.69Å |
| 135 | I | 94.6 | Very high | 93 | Very high | 69 Ų | 69 | 85.1 Ų | 85.1 | 35% | 0.354 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 178.4 | -71.2 | 169.5 | 0 | 0 | 0 | 111.4 | R131 R132 D133 H137 C138 L139 | R131-I135 HydrophobicContact CG-CD1 4.38Å; R131-I135 WeakPolarHBondContact O-CG1 2.8Å; R131-I135 PolarHBondContact O-N 3.35Å; R131-I135 VanDerWaalsContact O-N 3.11Å; R132-I135 PolarHBondContact O-N 3.19Å; D133-I135 PolarHBondContact O-N 3.38Å; I135-H137 VanDerWaalsContact C-N 3.32Å; I135-C138 PolarHBondContact O-N 2.72Å; I135-L139 HydrophobicContact CG2-CD1 4.14Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.49Å |
| 136 | N | 95 | Very high | 93.1 | Very high | 74 Ų | 74 | 83.5 Ų | 83.5 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.7 | -33.5 | 178.9 | -69.1 | -28.3 | 0 | 0 | 0 | 111.8 | R132 D133 R134 L139 G140 K160 | R132-N136 VanDerWaalsContact O-CG 3.3Å; R132-N136 PolarHBondContact O-N 3.46Å; R132-N136 PolarHBondContact O-ND2 3.48Å; D133-N136 PolarHBondContact O-N 2.92Å; R134-N136 VanDerWaalsContact C-N 3.35Å; R134-N136 PolarHBondContact O-N 3.17Å; N136-L139 PolarHBondContact O-N 2.85Å; N136-G140 PolarHBondContact O-N 3.49Å; N136-K160 PolarHBondContact OD1-NZ 3.36Å |
| 137 | H | 95.5 | Very high | 93.2 | Very high | 122 Ų | 122 | 82.2 Ų | 82.2 | 57% | 0.565 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -53.8 | 172.1 | -177.9 | 71.1 | 0 | 0 | 0 | 110.9 | D133 R134 I135 L139 G140 E141 | D133-H137 WeakPolarHBondContact O-CB 3.19Å; D133-H137 PolarHBondContact O-N 3.43Å; R134-H137 WeakPolarHBondContact O-CB 3.32Å; R134-H137 PolarHBondContact O-N 2.94Å; I135-H137 VanDerWaalsContact C-N 3.32Å; H137-L139 VanDerWaalsContact C-N 3.28Å; H137-L139 PolarHBondContact O-N 3.34Å; H137-G140 CarbonylContact O-C 3.59Å; H137-G140 WeakPolarHBondContact O-CA 3.41Å; H137-G140 PolarHBondContact O-N 3.45Å; H137-E141 IonicContact CD2-OE2 3.93Å; H137-E141 IonicContact NE2-OE1 3.39Å; H137-E141 IonicContact NE2-OE2 3.6Å; H137-E141 PolarHBondContact O-N 2.8Å |
| 138 | C | 94.9 | Very high | 93.2 | Very high | 63 Ų | 63 | 78.5 Ų | 78.5 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | R134 I135 G140 E141 L142 | R134-C138 PolarHBondContact O-N 3.06Å; R134-C138 PolarHBondContact O-SG 2.69Å; I135-C138 PolarHBondContact O-N 2.72Å; C138-G140 VanDerWaalsContact C-N 3.29Å; C138-G140 PolarHBondContact O-N 2.88Å; C138-E141 PolarHBondContact O-N 3.31Å; C138-L142 WeakPolarHBondContact O-CG 3.36Å; C138-L142 PolarHBondContact O-N 3.13Å |
| 139 | L | 93 | Very high | 93 | Very high | 19 Ų | 19 | 75.6 Ų | 75.6 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.8 | -33.3 | 174.1 | -74.5 | 171.3 | 0 | 0 | 0 | 112.7 | I135 N136 H137 R143 K160 I163 L164 | I135-L139 HydrophobicContact CG2-CD1 4.14Å; I135-L139 WeakPolarHBondContact O-CG 3.4Å; I135-L139 PolarHBondContact O-N 3.49Å; N136-L139 PolarHBondContact O-N 2.85Å; H137-L139 VanDerWaalsContact C-N 3.28Å; H137-L139 PolarHBondContact O-N 3.34Å; L139-R143 WeakPolarHBondContact O-CB 3.44Å; L139-R143 WeakPolarHBondContact O-CD 3.38Å; L139-R143 VanDerWaalsContact O-CG 3.29Å; L139-R143 WeakPolarHBondContact O-CG 3.19Å; L139-R143 PolarHBondContact O-N 2.94Å; L139-K160 HydrophobicContact CD1-CD 3.95Å; L139-K160 HydrophobicContact CD1-CG 4.05Å; L139-I163 HydrophobicContact CB-CD1 4.44Å; L139-I163 HydrophobicContact CD2-CB 4.44Å; L139-I163 HydrophobicContact CD2-CD1 4.34Å; L139-I163 HydrophobicContact CD2-CG2 4.13Å; L139-L164 HydrophobicContact CD2-CD2 4.05Å; L139-L164 HydrophobicContact CD2-CG 4.36Å |
| 140 | G | 91.8 | Very high | 93 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N136 H137 C138 R143 C144 | N136-G140 PolarHBondContact O-N 3.49Å; H137-G140 CarbonylContact O-C 3.59Å; H137-G140 WeakPolarHBondContact O-CA 3.41Å; H137-G140 PolarHBondContact O-N 3.45Å; C138-G140 VanDerWaalsContact C-N 3.29Å; C138-G140 PolarHBondContact O-N 2.88Å; G140-R143 WeakPolarHBondContact O-CB 3.49Å; G140-C144 PolarHBondContact O-N 2.92Å; G140-C144 PolarHBondContact O-SG 3.48Å |
| 141 | E | 93 | Very high | 92.6 | Very high | 96 Ų | 96 | 77 Ų | 77 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.6 | -50.2 | 173.7 | -64.5 | -176.7 | 104.8 | 0 | 0 | 111.5 | H137 C138 R143 C144 L145 | H137-E141 IonicContact CD2-OE2 3.93Å; H137-E141 IonicContact NE2-OE1 3.39Å; H137-E141 IonicContact NE2-OE2 3.6Å; H137-E141 PolarHBondContact O-N 2.8Å; C138-E141 PolarHBondContact O-N 3.31Å; E141-R143 PolarHBondContact O-N 2.98Å; E141-C144 WeakPolarHBondContact O-CA 3.23Å; E141-C144 PolarHBondContact O-N 3.48Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.84Å; E141-L145 VanDerWaalsContact O-N 3.14Å |
| 142 | L | 95 | Very high | 91.9 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -55 | -40.8 | 178.6 | -72.3 | 179.4 | 0 | 0 | 0 | 112.3 | C138 C144 L145 V146 I163 L164 T167 | C138-L142 WeakPolarHBondContact O-CG 3.36Å; C138-L142 PolarHBondContact O-N 3.13Å; L142-C144 PolarHBondContact O-N 2.83Å; L142-L145 PolarHBondContact O-N 3.46Å; L142-L145 VanDerWaalsContact O-N 3.1Å; L142-V146 WeakPolarHBondContact O-CG2 3.43Å; L142-V146 PolarHBondContact O-N 3.23Å; L142-I163 HydrophobicContact CB-CG2 4.02Å; L142-L164 HydrophobicContact CD1-CD2 4.45Å; L142-T167 HydrophobicContact CD1-CG2 4.43Å; L142-T167 HydrophobicContact CD2-CG2 3.85Å |
| 143 | R | 90.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 74.2 Ų | 74.2 | 22% | 0.219 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56 | -34.8 | 174 | -94.3 | 173.9 | 167.3 | -159 | 7.5 | 114.4 | L139 G140 E141 I150 H153 L158 I163 | L139-R143 WeakPolarHBondContact O-CB 3.44Å; L139-R143 WeakPolarHBondContact O-CD 3.38Å; L139-R143 VanDerWaalsContact O-CG 3.29Å; L139-R143 WeakPolarHBondContact O-CG 3.19Å; L139-R143 PolarHBondContact O-N 2.94Å; G140-R143 WeakPolarHBondContact O-CB 3.49Å; E141-R143 PolarHBondContact O-N 2.98Å; R143-I150 VanDerWaalsContact O-CG1 3.27Å; R143-I150 WeakPolarHBondContact O-CG1 3.29Å; R143-H153 WeakPolarHBondContact CB-NE2 3.39Å; R143-H153 VanDerWaalsContact CD-CE1 3.44Å; R143-H153 WeakPolarHBondContact CD-CE1 3.49Å; R143-H153 WeakPolarHBondContact CD-NE2 3.21Å; R143-H153 WeakPolarHBondContact CG-NE2 3.45Å; R143-L158 PolarHBondContact NH2-O 3.13Å; R143-I163 HydrophobicContact CG-CD1 3.9Å; R143-I163 HydrophobicContact CG-CG1 3.85Å; R143-I163 HydrophobicContact CG-CG2 4.05Å |
| 144 | C | 91.6 | Very high | 89.4 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -89.6 | -9.5 | 179.2 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | G140 E141 L142 I150 | G140-C144 PolarHBondContact O-N 2.92Å; G140-C144 PolarHBondContact O-SG 3.48Å; E141-C144 WeakPolarHBondContact O-CA 3.23Å; E141-C144 PolarHBondContact O-N 3.48Å; L142-C144 PolarHBondContact O-N 2.83Å; C144-I150 VanDerWaalsContact O-CD1 3.24Å; C144-I150 WeakPolarHBondContact O-CD1 3.38Å |
| 145 | L | 91.2 | Very high | 87.9 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 61% | 0.613 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -103.4 | -26.9 | -178.5 | -67.2 | 173.8 | 0 | 0 | 0 | 113.1 | E141 L142 P147 | E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 2.84Å; E141-L145 VanDerWaalsContact O-N 3.14Å; L142-L145 PolarHBondContact O-N 3.46Å; L142-L145 VanDerWaalsContact O-N 3.1Å; L145-P147 WeakPolarHBondContact O-CD 3.24Å |
| 146 | V | 89.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.018 | 43% | 0.431 | C | S | . | . | trans | -92.4 | 115.8 | -175.9 | 175.8 | 0 | 0 | 0 | 0 | 110 | L142 A148 A149 I150 L166 T167 Y170 | L142-V146 WeakPolarHBondContact O-CG2 3.43Å; L142-V146 PolarHBondContact O-N 3.23Å; V146-A148 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 3.22Å; V146-A149 HydrophobicContact CB-CB 3.89Å; V146-A149 HydrophobicContact CG1-CB 4.07Å; V146-A149 WeakPolarHBondContact O-CA 3.01Å; V146-A149 WeakPolarHBondContact O-CB 3.44Å; V146-A149 PolarHBondContact O-N 2.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.43Å; V146-I150 PolarHBondContact O-N 3.28Å; V146-L166 HydrophobicContact CG1-CB 3.9Å; V146-L166 WeakPolarHBondContact CG1-O 3.37Å; V146-T167 HydrophobicContact CG2-CG2 4.08Å; V146-Y170 HydrophobicContact CG1-CG 4.47Å; V146-Y170 HydrophobicContact CG2-CD1 4.23Å | ||
| 147 | P | 89.3 | Confident | 86.1 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.8 | -46.9 | -173.9 | -29 | 35.5 | 0 | 0 | 0 | 114.2 | L145 A149 I150 E151 Y170 | L145-P147 WeakPolarHBondContact O-CD 3.24Å; P147-A149 VanDerWaalsContact C-N 3.26Å; P147-A149 PolarHBondContact O-N 2.82Å; P147-I150 PolarHBondContact O-N 3.42Å; P147-E151 PolarHBondContact O-N 3.26Å; P147-Y170 HydrophobicContact CG-CD2 4.36Å; P147-Y170 HydrophobicContact CG-CE2 3.96Å |
| 148 | A | 88.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.6 | -25.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V146 K152 L166 | V146-A148 VanDerWaalsContact C-N 3.35Å; V146-A148 PolarHBondContact O-N 3.22Å; A148-K152 WeakPolarHBondContact O-CG 3.38Å; A148-K152 PolarHBondContact O-N 2.93Å; A148-L166 HydrophobicContact CB-CD1 4.45Å; A148-L166 HydrophobicContact CB-CD2 3.87Å |
| 149 | A | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -76.9 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V146 P147 K152 H153 L158 L166 | V146-A149 HydrophobicContact CB-CB 3.89Å; V146-A149 HydrophobicContact CG1-CB 4.07Å; V146-A149 WeakPolarHBondContact O-CA 3.01Å; V146-A149 WeakPolarHBondContact O-CB 3.44Å; V146-A149 PolarHBondContact O-N 2.91Å; P147-A149 VanDerWaalsContact C-N 3.26Å; P147-A149 PolarHBondContact O-N 2.82Å; A149-K152 PolarHBondContact O-N 2.93Å; A149-H153 PolarHBondContact O-CD2 3.44Å; A149-H153 PolarHBondContact O-N 2.89Å; A149-H153 VanDerWaalsContact O-N 3.13Å; A149-L158 HydrophobicContact CB-CD1 3.98Å; A149-L166 HydrophobicContact CB-CD1 4.02Å |
| 150 | I | 87.9 | Confident | 85.1 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 45% | 0.451 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 176.4 | -59.2 | 166.6 | 0 | 0 | 0 | 110.8 | R143 C144 V146 P147 K152 H153 | R143-I150 VanDerWaalsContact O-CG1 3.27Å; R143-I150 WeakPolarHBondContact O-CG1 3.29Å; C144-I150 VanDerWaalsContact O-CD1 3.24Å; C144-I150 WeakPolarHBondContact O-CD1 3.38Å; V146-I150 WeakPolarHBondContact O-CG1 3.43Å; V146-I150 PolarHBondContact O-N 3.28Å; P147-I150 PolarHBondContact O-N 3.42Å; I150-K152 VanDerWaalsContact C-N 3.33Å; I150-K152 PolarHBondContact O-N 3.02Å; I150-H153 WeakPolarHBondContact O-CB 3.44Å; I150-H153 PolarHBondContact O-N 3.36Å |
| 151 | E | 86.7 | Confident | 85.2 | Confident | 166 Ų | 166 | 86 Ų | 86 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 179.1 | -172.9 | 178.6 | -179.4 | 0 | 0 | 111.8 | P147 H153 | P147-E151 PolarHBondContact O-N 3.26Å; E151-H153 VanDerWaalsContact C-N 3.28Å; E151-H153 PolarHBondContact O-N 3.08Å |
| 152 | K | 81.9 | Confident | 85.2 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 38% | 0.378 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -75.3 | -14.3 | 179.6 | -72.4 | -179.1 | 169.9 | -173.9 | 0 | 114.2 | A148 A149 I150 G154 S155 Q156 L158 E162 L166 | A148-K152 WeakPolarHBondContact O-CG 3.38Å; A148-K152 PolarHBondContact O-N 2.93Å; A149-K152 PolarHBondContact O-N 2.93Å; I150-K152 VanDerWaalsContact C-N 3.33Å; I150-K152 PolarHBondContact O-N 3.02Å; K152-G154 PolarHBondContact O-N 2.83Å; K152-G154 VanDerWaalsContact O-N 3.08Å; K152-S155 PolarHBondContact O-N 2.86Å; K152-S155 VanDerWaalsContact O-N 3.09Å; K152-Q156 PolarHBondContact O-N 2.93Å; K152-L158 HydrophobicContact CB-CD1 4.35Å; K152-L158 HydrophobicContact CB-CD2 3.74Å; K152-L158 HydrophobicContact CB-CG 4.32Å; K152-L158 HydrophobicContact CD-CD2 3.8Å; K152-L158 HydrophobicContact CG-CD2 4.45Å; K152-E162 IonicContact NZ-OE1 3.61Å; K152-E162 PolarHBondContact NZ-OE1 2.76Å; K152-L166 HydrophobicContact CD-CD1 4.28Å |
| 153 | H | 74 | Confident | 85.1 | Confident | 79 Ų | 79 | 81.9 Ų | 81.9 | 37% | 0.366 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.5 | -176.8 | -106.2 | -63.2 | 0 | 0 | 0 | 114.6 | R143 A149 I150 E151 | R143-H153 WeakPolarHBondContact CB-NE2 3.39Å; R143-H153 VanDerWaalsContact CD-CE1 3.44Å; R143-H153 WeakPolarHBondContact CD-CE1 3.49Å; R143-H153 WeakPolarHBondContact CD-NE2 3.21Å; R143-H153 WeakPolarHBondContact CG-NE2 3.45Å; A149-H153 PolarHBondContact O-CD2 3.44Å; A149-H153 PolarHBondContact O-N 2.89Å; A149-H153 VanDerWaalsContact O-N 3.13Å; I150-H153 WeakPolarHBondContact O-CB 3.44Å; I150-H153 PolarHBondContact O-N 3.36Å; E151-H153 VanDerWaalsContact C-N 3.28Å; E151-H153 PolarHBondContact O-N 3.08Å |
| 154 | G | 67.5 | Low | 85.4 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 85% | 0.845 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -19 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K152 | K152-G154 PolarHBondContact O-N 2.83Å; K152-G154 VanDerWaalsContact O-N 3.08Å |
| 155 | S | 64.5 | Low | 85.5 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 78% | 0.776 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -28 | -168.1 | -168.1 | 0 | 0 | 0 | 0 | 114.5 | K152 | K152-S155 PolarHBondContact O-N 2.86Å; K152-S155 VanDerWaalsContact O-N 3.09Å |
| 156 | Q | 69.9 | Low | 85.7 | Confident | 148 Ų | 148 | 79.8 Ų | 79.8 | 69% | 0.692 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -156.8 | 145 | -176.9 | -164.1 | 168.4 | -17.2 | 0 | 0 | 111.8 | K152 L158 | K152-Q156 PolarHBondContact O-N 2.93Å; Q156-L158 PolarHBondContact O-N 3.32Å |
| 157 | K | 82.4 | Confident | 85.9 | Confident | 187 Ų | 187 | 80.4 Ų | 80.4 | 81% | 0.813 | 43% | 0.434 | S | S | * | . | trans | -66.4 | 97.2 | 172.2 | -176.2 | 178.4 | 179.7 | 179.3 | 0 | 109 | E159 | K157-E159 PolarHBondContact O-N 3.12Š| ||
| 158 | L | 82.7 | Confident | 86.1 | Confident | 6 Ų | 6 | 80.1 Ų | 80.1 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | trans | -52.6 | 132.1 | 178 | -67.7 | 174.3 | 0 | 0 | 0 | 111.6 | R143 A149 K152 Q156 E162 I163 | R143-L158 PolarHBondContact NH2-O 3.13Å; A149-L158 HydrophobicContact CB-CD1 3.98Å; K152-L158 HydrophobicContact CB-CD1 4.35Å; K152-L158 HydrophobicContact CB-CD2 3.74Å; K152-L158 HydrophobicContact CB-CG 4.32Å; K152-L158 HydrophobicContact CD-CD2 3.8Å; K152-L158 HydrophobicContact CG-CD2 4.45Å; Q156-L158 PolarHBondContact O-N 3.32Å; L158-E162 HydrophobicContact CD2-CG 4.05Å; L158-E162 WeakPolarHBondContact CD2-OE2 3.4Å; L158-I163 HydrophobicContact CB-CG1 4.02Å | ||
| 159 | E | 88.1 | Confident | 86.3 | Confident | 141 Ų | 141 | 83.7 Ų | 83.7 | 66% | 0.659 | 44% | 0.441 | S | S | * | . | trans | -72.1 | 157.7 | 174.7 | -64.9 | -167.4 | 165.3 | 0 | 0 | 111.4 | K157 A161 E162 I163 | K157-E159 PolarHBondContact O-N 3.12Å; E159-A161 VanDerWaalsContact C-N 3.25Å; E159-A161 PolarHBondContact O-N 3.35Å; E159-E162 HydrophobicContact CB-CB 4.35Å; E159-E162 PolarHBondContact O-N 3.47Å; E159-E162 VanDerWaalsContact O-N 3.13Å; E159-I163 WeakPolarHBondContact O-CG1 3.18Å; E159-I163 PolarHBondContact O-N 3.29Å; E159-I163 VanDerWaalsContact O-N 3.11Å | ||
| 160 | K | 91.2 | Very high | 86.3 | Confident | 120 Ų | 120 | 87.3 Ų | 87.3 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 178.9 | -70.8 | -167.9 | 170.5 | -166.1 | 0 | 112.3 | N136 L139 L164 | N136-K160 PolarHBondContact OD1-NZ 3.36Å; L139-K160 HydrophobicContact CD1-CD 3.95Å; L139-K160 HydrophobicContact CD1-CG 4.05Å; K160-L164 WeakPolarHBondContact O-CG 3.33Å; K160-L164 PolarHBondContact O-N 3.37Å |
| 161 | A | 93 | Very high | 86.4 | Confident | 67 Ų | 67 | 87.7 Ų | 87.7 | 55% | 0.554 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E159 L164 Q165 | E159-A161 VanDerWaalsContact C-N 3.25Å; E159-A161 PolarHBondContact O-N 3.35Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-Q165 WeakPolarHBondContact O-CB 3.44Å; A161-Q165 PolarHBondContact O-N 2.8Å |
| 162 | E | 93.6 | Very high | 86.4 | Confident | 57 Ų | 57 | 88.2 Ų | 88.2 | 27% | 0.266 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | -180 | -169.3 | 177.2 | -171.4 | 0 | 0 | 112.2 | K152 L158 E159 L164 Q165 L166 | K152-E162 IonicContact NZ-OE1 3.61Å; K152-E162 PolarHBondContact NZ-OE1 2.76Å; L158-E162 HydrophobicContact CD2-CG 4.05Å; L158-E162 WeakPolarHBondContact CD2-OE2 3.4Å; E159-E162 HydrophobicContact CB-CB 4.35Å; E159-E162 PolarHBondContact O-N 3.47Å; E159-E162 VanDerWaalsContact O-N 3.13Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.44Å; E162-Q165 PolarHBondContact O-N 3.37Å; E162-L166 HydrophobicContact CG-CD1 4.22Å; E162-L166 HydrophobicContact CG-CG 4.41Å; E162-L166 WeakPolarHBondContact O-CG 3.18Å; E162-L166 PolarHBondContact O-N 3.21Å |
| 163 | I | 93.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.01 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -56.3 | -47 | 174.7 | -58.5 | 159.9 | 0 | 0 | 0 | 110.3 | L139 L142 R143 L158 E159 Q165 T167 | L139-I163 HydrophobicContact CB-CD1 4.44Å; L139-I163 HydrophobicContact CD2-CB 4.44Å; L139-I163 HydrophobicContact CD2-CD1 4.34Å; L139-I163 HydrophobicContact CD2-CG2 4.13Å; L142-I163 HydrophobicContact CB-CG2 4.02Å; R143-I163 HydrophobicContact CG-CD1 3.9Å; R143-I163 HydrophobicContact CG-CG1 3.85Å; R143-I163 HydrophobicContact CG-CG2 4.05Å; L158-I163 HydrophobicContact CB-CG1 4.02Å; E159-I163 WeakPolarHBondContact O-CG1 3.18Å; E159-I163 PolarHBondContact O-N 3.29Å; E159-I163 VanDerWaalsContact O-N 3.11Å; I163-Q165 VanDerWaalsContact C-N 3.34Å; I163-T167 WeakPolarHBondContact O-CB 3.05Å; I163-T167 PolarHBondContact O-N 2.7Å; I163-T167 PolarHBondContact O-OG1 3.27Å |
| 164 | L | 96.4 | Very high | 87 | Confident | 89 Ų | 89 | 87.3 Ų | 87.3 | 47% | 0.466 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | -179.8 | -65.3 | 173.6 | 0 | 0 | 0 | 111.2 | L139 L142 K160 A161 E162 T167 V168 | L139-L164 HydrophobicContact CD2-CD2 4.05Å; L139-L164 HydrophobicContact CD2-CG 4.36Å; L142-L164 HydrophobicContact CD1-CD2 4.45Å; K160-L164 WeakPolarHBondContact O-CG 3.33Å; K160-L164 PolarHBondContact O-N 3.37Å; A161-L164 PolarHBondContact O-N 3.47Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.44Å; L164-T167 WeakPolarHBondContact O-CB 3.45Å; L164-T167 PolarHBondContact O-N 3Å; L164-V168 VanDerWaalsContact O-CG2 3.31Å; L164-V168 WeakPolarHBondContact O-CG2 3.27Å; L164-V168 PolarHBondContact O-N 3.36Å |
| 165 | Q | 94.4 | Very high | 87.6 | Confident | 118 Ų | 118 | 89 Ų | 89 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.8 | -50.5 | 177.9 | -173.2 | 62.2 | 31 | 0 | 0 | 111.8 | A161 E162 I163 T167 V168 E169 | A161-Q165 WeakPolarHBondContact O-CB 3.44Å; A161-Q165 PolarHBondContact O-N 2.8Å; E162-Q165 PolarHBondContact O-N 3.37Å; I163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.04Å; Q165-V168 PolarHBondContact O-N 3.22Å; Q165-E169 WeakPolarHBondContact O-CB 3.44Å; Q165-E169 PolarHBondContact O-N 2.82Å |
| 166 | L | 94.7 | Very high | 88.2 | Confident | 16 Ų | 16 | 87.9 Ų | 87.9 | 8% | 0.084 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 177.3 | -66.4 | 175.5 | 0 | 0 | 0 | 111.3 | V146 A148 A149 K152 E162 Y170 | V146-L166 HydrophobicContact CG1-CB 3.9Å; V146-L166 WeakPolarHBondContact CG1-O 3.37Å; A148-L166 HydrophobicContact CB-CD1 4.45Å; A148-L166 HydrophobicContact CB-CD2 3.87Å; A149-L166 HydrophobicContact CB-CD1 4.02Å; K152-L166 HydrophobicContact CD-CD1 4.28Å; E162-L166 HydrophobicContact CG-CD1 4.22Å; E162-L166 HydrophobicContact CG-CG 4.41Å; E162-L166 WeakPolarHBondContact O-CG 3.18Å; E162-L166 PolarHBondContact O-N 3.21Å; L166-Y170 VanDerWaalsContact O-CB 3.27Å; L166-Y170 WeakPolarHBondContact O-CB 3.38Å; L166-Y170 PolarHBondContact O-N 2.7Å |
| 167 | T | 94.9 | Very high | 88.1 | Confident | 16 Ų | 16 | 83.8 Ų | 83.8 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65 | -47.4 | 175.3 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | L142 V146 I163 L164 Q165 E169 Y170 L171 | L142-T167 HydrophobicContact CD1-CG2 4.43Å; L142-T167 HydrophobicContact CD2-CG2 3.85Å; V146-T167 HydrophobicContact CG2-CG2 4.08Å; I163-T167 WeakPolarHBondContact O-CB 3.05Å; I163-T167 PolarHBondContact O-N 2.7Å; I163-T167 PolarHBondContact O-OG1 3.27Å; L164-T167 WeakPolarHBondContact O-CB 3.45Å; L164-T167 PolarHBondContact O-N 3Å; Q165-T167 PolarHBondContact O-N 3.04Å; T167-E169 VanDerWaalsContact C-N 3.35Å; T167-E169 PolarHBondContact O-N 2.87Å; T167-Y170 PolarHBondContact O-N 3.01Å; T167-L171 HydrophobicContact CG2-CD1 4.34Å; T167-L171 VanDerWaalsContact O-CG 3.31Å; T167-L171 WeakPolarHBondContact O-CG 3.26Å; T167-L171 PolarHBondContact O-N 3.48Å |
| 168 | V | 93.2 | Very high | 87 | Confident | 63 Ų | 63 | 77 Ų | 77 | 38% | 0.382 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 179.2 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L164 Q165 Y170 L171 R172 | L164-V168 VanDerWaalsContact O-CG2 3.31Å; L164-V168 WeakPolarHBondContact O-CG2 3.27Å; L164-V168 PolarHBondContact O-N 3.36Å; Q165-V168 PolarHBondContact O-N 3.22Å; V168-Y170 VanDerWaalsContact C-N 3.34Å; V168-L171 PolarHBondContact O-N 3.18Å; V168-R172 WeakPolarHBondContact O-CB 3.27Å; V168-R172 WeakPolarHBondContact O-CG 3.4Å; V168-R172 PolarHBondContact O-N 3.06Å |
| 169 | E | 92.2 | Very high | 85.7 | Confident | 114 Ų | 114 | 78.6 Ų | 78.6 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.2 | -174.7 | 170.4 | -164.9 | 0 | 0 | 111.4 | Q165 T167 R172 F173 | Q165-E169 WeakPolarHBondContact O-CB 3.44Å; Q165-E169 PolarHBondContact O-N 2.82Å; T167-E169 VanDerWaalsContact C-N 3.35Å; T167-E169 PolarHBondContact O-N 2.87Å; E169-R172 PolarHBondContact O-N 3.25Å; E169-F173 WeakPolarHBondContact O-CB 3.3Å; E169-F173 PolarHBondContact O-N 3.09Å |
| 170 | Y | 90.9 | Very high | 84.1 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 30% | 0.302 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 173.4 | -179 | -123.5 | 0 | 0 | 0 | 111.8 | V146 P147 L166 T167 V168 R172 F173 L174 | V146-Y170 HydrophobicContact CG1-CG 4.47Å; V146-Y170 HydrophobicContact CG2-CD1 4.23Å; P147-Y170 HydrophobicContact CG-CD2 4.36Å; P147-Y170 HydrophobicContact CG-CE2 3.96Å; L166-Y170 VanDerWaalsContact O-CB 3.27Å; L166-Y170 WeakPolarHBondContact O-CB 3.38Å; L166-Y170 PolarHBondContact O-N 2.7Å; T167-Y170 PolarHBondContact O-N 3.01Å; V168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 3.38Å; Y170-F173 HydrophobicContact CD2-CD1 4.37Å; Y170-F173 WeakPolarHBondContact O-CB 3.32Å; Y170-F173 PolarHBondContact O-N 2.81Å; Y170-L174 HydrophobicContact CD1-CD1 4.08Å; Y170-L174 HydrophobicContact CD2-CG 4.34Å; Y170-L174 HydrophobicContact CE1-CD1 3.71Å; Y170-L174 HydrophobicContact CE1-CG 4.27Å; Y170-L174 HydrophobicContact CE2-CD1 4.39Å; Y170-L174 HydrophobicContact CE2-CD2 3.87Å; Y170-L174 HydrophobicContact CE2-CG 4.06Å; Y170-L174 VanDerWaalsContact O-CG 3.26Å; Y170-L174 WeakPolarHBondContact O-CG 3.19Å; Y170-L174 PolarHBondContact O-N 3.12Å |
| 171 | L | 89.1 | Confident | 82.3 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 175.7 | -69.5 | 173.7 | 0 | 0 | 0 | 112.1 | T167 V168 L174 T175 | T167-L171 HydrophobicContact CG2-CD1 4.34Å; T167-L171 VanDerWaalsContact O-CG 3.31Å; T167-L171 WeakPolarHBondContact O-CG 3.26Å; T167-L171 PolarHBondContact O-N 3.48Å; V168-L171 PolarHBondContact O-N 3.18Å; L171-L174 HydrophobicContact CD2-CD1 4.37Å; L171-L174 WeakPolarHBondContact O-CB 3.26Å; L171-L174 PolarHBondContact O-N 3.35Å; L171-T175 WeakPolarHBondContact O-CG2 3.25Å; L171-T175 PolarHBondContact O-N 3.37Å; L171-T175 PolarHBondContact O-OG1 3.45Å |
| 172 | R | 87.8 | Confident | 80.6 | Confident | 176 Ų | 176 | 77 Ų | 77 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 175 | -75.4 | 179.8 | 178.8 | -167 | -0.4 | 111.6 | V168 E169 Y170 L174 T175 A176 | V168-R172 WeakPolarHBondContact O-CB 3.27Å; V168-R172 WeakPolarHBondContact O-CG 3.4Å; V168-R172 PolarHBondContact O-N 3.06Å; E169-R172 PolarHBondContact O-N 3.25Å; Y170-R172 VanDerWaalsContact C-N 3.33Å; Y170-R172 PolarHBondContact O-N 3.38Å; R172-L174 VanDerWaalsContact C-N 3.26Å; R172-L174 PolarHBondContact O-N 3Å; R172-T175 WeakPolarHBondContact CA-OG1 3.24Å; R172-T175 PolarHBondContact O-N 2.7Å; R172-T175 PolarHBondContact O-OG1 2.58Å; R172-A176 VanDerWaalsContact O-CB 3.28Å; R172-A176 WeakPolarHBondContact O-CB 3.01Å; R172-A176 PolarHBondContact O-N 3.42Å |
| 173 | F | 85.6 | Confident | 78.8 | Confident | 116 Ų | 116 | 77.8 Ų | 77.8 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | 173.5 | 171.2 | -96.1 | 0 | 0 | 0 | 110.9 | E169 Y170 A176 S177 | E169-F173 WeakPolarHBondContact O-CB 3.3Å; E169-F173 PolarHBondContact O-N 3.09Å; Y170-F173 HydrophobicContact CD2-CD1 4.37Å; Y170-F173 WeakPolarHBondContact O-CB 3.32Å; Y170-F173 PolarHBondContact O-N 2.81Å; F173-A176 PolarHBondContact O-N 2.98Å; F173-S177 WeakPolarHBondContact CD2-OG 3.34Å; F173-S177 WeakPolarHBondContact CE2-OG 2.82Å; F173-S177 WeakPolarHBondContact CZ-OG 2.85Å; F173-S177 WeakPolarHBondContact O-CB 3.24Å; F173-S177 PolarHBondContact O-N 3.02Å; F173-S177 PolarHBondContact O-OG 2.73Å |
| 174 | L | 81.5 | Confident | 77.3 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 17% | 0.168 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 175.5 | -68.2 | 177.4 | 0 | 0 | 0 | 111.1 | Y170 L171 R172 A176 N179 | Y170-L174 HydrophobicContact CD1-CD1 4.08Å; Y170-L174 HydrophobicContact CD2-CG 4.34Å; Y170-L174 HydrophobicContact CE1-CD1 3.71Å; Y170-L174 HydrophobicContact CE1-CG 4.27Å; Y170-L174 HydrophobicContact CE2-CD1 4.39Å; Y170-L174 HydrophobicContact CE2-CD2 3.87Å; Y170-L174 HydrophobicContact CE2-CG 4.06Å; Y170-L174 VanDerWaalsContact O-CG 3.26Å; Y170-L174 WeakPolarHBondContact O-CG 3.19Å; Y170-L174 PolarHBondContact O-N 3.12Å; L171-L174 HydrophobicContact CD2-CD1 4.37Å; L171-L174 WeakPolarHBondContact O-CB 3.26Å; L171-L174 PolarHBondContact O-N 3.35Å; R172-L174 VanDerWaalsContact C-N 3.26Å; R172-L174 PolarHBondContact O-N 3Å; L174-A176 PolarHBondContact O-N 2.92Å; L174-N179 HydrophobicContact CB-CB 4.25Å; L174-N179 HydrophobicContact CD2-CB 3.78Å; L174-N179 WeakPolarHBondContact CD2-ND2 3.45Å; L174-N179 CarbonylContact O-C 3.59Å; L174-N179 VanDerWaalsContact O-CA 3.31Å; L174-N179 WeakPolarHBondContact O-CA 3.25Å; L174-N179 VanDerWaalsContact O-CB 3.25Å; L174-N179 WeakPolarHBondContact O-CB 3Å; L174-N179 PolarHBondContact O-N 2.88Å |
| 175 | T | 80.3 | Confident | 75.7 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 71% | 0.712 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.5 | -36.9 | 178.8 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | L171 R172 | L171-T175 WeakPolarHBondContact O-CG2 3.25Å; L171-T175 PolarHBondContact O-N 3.37Å; L171-T175 PolarHBondContact O-OG1 3.45Å; R172-T175 WeakPolarHBondContact CA-OG1 3.24Å; R172-T175 PolarHBondContact O-N 2.7Å; R172-T175 PolarHBondContact O-OG1 2.58Å |
| 176 | A | 78.1 | Confident | 74.5 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -80.9 | -33.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R172 F173 L174 G178 | R172-A176 VanDerWaalsContact O-CB 3.28Å; R172-A176 WeakPolarHBondContact O-CB 3.01Å; R172-A176 PolarHBondContact O-N 3.42Å; F173-A176 PolarHBondContact O-N 2.98Å; L174-A176 PolarHBondContact O-N 2.92Å; A176-G178 PolarHBondContact O-N 2.92Å; A176-G178 VanDerWaalsContact O-N 3.13Å |
| 177 | S | 67.1 | Low | 73.1 | Confident | 62 Ų | 62 | 85 Ų | 85 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 7.7 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | F173 N179 | F173-S177 WeakPolarHBondContact CD2-OG 3.34Å; F173-S177 WeakPolarHBondContact CE2-OG 2.82Å; F173-S177 WeakPolarHBondContact CZ-OG 2.85Å; F173-S177 WeakPolarHBondContact O-CB 3.24Å; F173-S177 PolarHBondContact O-N 3.02Å; F173-S177 PolarHBondContact O-OG 2.73Å; S177-N179 PolarHBondContact O-N 3.29Å; S177-N179 VanDerWaalsContact O-N 3.13Å |
| 178 | G | 59.5 | Low | 71.8 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 47% | 0.474 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A176 D180 | A176-G178 PolarHBondContact O-N 2.92Å; A176-G178 VanDerWaalsContact O-N 3.13Å; G178-D180 PolarHBondContact O-N 2.95Å |
| 179 | N | 55.5 | Low | 70.9 | Confident | 39 Ų | 39 | 90.5 Ų | 90.5 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | trans | -80.4 | 56.8 | -179.8 | -164.3 | -16.7 | 0 | 0 | 0 | 109.3 | L174 S177 N181 | L174-N179 HydrophobicContact CB-CB 4.25Å; L174-N179 HydrophobicContact CD2-CB 3.78Å; L174-N179 WeakPolarHBondContact CD2-ND2 3.45Å; L174-N179 CarbonylContact O-C 3.59Å; L174-N179 VanDerWaalsContact O-CA 3.31Å; L174-N179 WeakPolarHBondContact O-CA 3.25Å; L174-N179 VanDerWaalsContact O-CB 3.25Å; L174-N179 WeakPolarHBondContact O-CB 3Å; L174-N179 PolarHBondContact O-N 2.88Å; S177-N179 PolarHBondContact O-N 3.29Å; S177-N179 VanDerWaalsContact O-N 3.13Å; N179-N181 VanDerWaalsContact CA-N 3.3Å; N179-N181 WeakPolarHBondContact CA-OD1 3.38Å; N179-N181 PolarHBondContact ND2-ND2 3.12Å; N179-N181 VanDerWaalsContact ND2-ND2 3.17Å; N179-N181 PolarHBondContact O-N 2.92Å; N179-N181 VanDerWaalsContact OD1-CA 3.25Å; N179-N181 WeakPolarHBondContact OD1-CA 3.42Å; N179-N181 WeakPolarHBondContact OD1-CB 3.48Å; N179-N181 PolarHBondContact OD1-N 3.23Å; N179-N181 PolarHBondContact OD1-ND2 2.94Å | ||
| 180 | D | 54.7 | Low | 70.1 | Confident | 104 Ų | 104 | 87.4 Ų | 87.4 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | trans | -54.8 | 7.7 | 133.6 | -72 | -36.9 | 0 | 0 | 0 | 110.9 | G178 V182 T183 C184 | G178-D180 PolarHBondContact O-N 2.95Å; D180-V182 CarbonylContact O-C 3.51Å; D180-V182 PolarHBondContact O-N 3.11Å; D180-T183 VanDerWaalsContact CA-OG1 3.26Å; D180-T183 WeakPolarHBondContact CA-OG1 3.26Å; D180-T183 VanDerWaalsContact CB-OG1 3.26Å; D180-T183 WeakPolarHBondContact CB-OG1 3.26Å; D180-T183 CarbonylContact O-C 3.43Å; D180-T183 WeakPolarHBondContact O-CA 3.24Å; D180-T183 PolarHBondContact O-N 3.38Å; D180-T183 PolarHBondContact O-OG1 3.28Å; D180-T183 PolarHBondContact OD1-OG1 3.26Å; D180-C184 HydrophobicContact CB-CB 3.96Å; D180-C184 WeakPolarHBondContact O-CA 3.44Å; D180-C184 WeakPolarHBondContact O-CB 3.27Å; D180-C184 PolarHBondContact O-N 3.25Å | ||
| 181 | N | 53.8 | Low | 69.4 | Low | 74 Ų | 74 | 85.5 Ų | 85.5 | 40% | 0.396 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.1 | -26.2 | -169.1 | -46.4 | -23.7 | 0 | 0 | 0 | 112.6 | N179 D185 | N179-N181 VanDerWaalsContact CA-N 3.3Å; N179-N181 WeakPolarHBondContact CA-OD1 3.38Å; N179-N181 PolarHBondContact ND2-ND2 3.12Å; N179-N181 VanDerWaalsContact ND2-ND2 3.17Å; N179-N181 PolarHBondContact O-N 2.92Å; N179-N181 VanDerWaalsContact OD1-CA 3.25Å; N179-N181 WeakPolarHBondContact OD1-CA 3.42Å; N179-N181 WeakPolarHBondContact OD1-CB 3.48Å; N179-N181 PolarHBondContact OD1-N 3.23Å; N179-N181 PolarHBondContact OD1-ND2 2.94Å; N181-D185 VanDerWaalsContact O-CA 3.26Å; N181-D185 WeakPolarHBondContact O-CA 3.42Å; N181-D185 WeakPolarHBondContact O-CB 3.47Å; N181-D185 PolarHBondContact O-N 3.1Å |
| 182 | V | 55.7 | Low | 68.8 | Low | 117 Ų | 117 | 83.9 Ų | 83.9 | 71% | 0.709 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.2 | -43.9 | 169.9 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | D180 L186 | D180-V182 CarbonylContact O-C 3.51Å; D180-V182 PolarHBondContact O-N 3.11Å; V182-L186 VanDerWaalsContact O-CB 3.24Å; V182-L186 WeakPolarHBondContact O-CB 3.06Å; V182-L186 PolarHBondContact O-N 2.89Å |
| 183 | T | 56.9 | Low | 68.4 | Low | 72 Ų | 72 | 81.6 Ų | 81.6 | 44% | 0.442 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.2 | -44.2 | 177.6 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | D180 L186 Q187 | D180-T183 VanDerWaalsContact CA-OG1 3.26Å; D180-T183 WeakPolarHBondContact CA-OG1 3.26Å; D180-T183 VanDerWaalsContact CB-OG1 3.26Å; D180-T183 WeakPolarHBondContact CB-OG1 3.26Å; D180-T183 CarbonylContact O-C 3.43Å; D180-T183 WeakPolarHBondContact O-CA 3.24Å; D180-T183 PolarHBondContact O-N 3.38Å; D180-T183 PolarHBondContact O-OG1 3.28Å; D180-T183 PolarHBondContact OD1-OG1 3.26Å; T183-L186 CarbonylContact O-C 3.59Å; T183-L186 PolarHBondContact O-N 2.81Å; T183-Q187 VanDerWaalsContact O-CB 3.24Å; T183-Q187 WeakPolarHBondContact O-CB 3.25Å; T183-Q187 WeakPolarHBondContact O-CG 3.31Å; T183-Q187 PolarHBondContact O-N 2.89Å |
| 184 | C | 60.9 | Low | 68.1 | Low | 60 Ų | 60 | 78.1 Ų | 78.1 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 166.1 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | D180 Q187 R188 | D180-C184 HydrophobicContact CB-CB 3.96Å; D180-C184 WeakPolarHBondContact O-CA 3.44Å; D180-C184 WeakPolarHBondContact O-CB 3.27Å; D180-C184 PolarHBondContact O-N 3.25Å; C184-Q187 CarbonylContact O-C 3.6Å; C184-Q187 PolarHBondContact O-N 2.98Å; C184-R188 WeakPolarHBondContact O-CA 3.42Å; C184-R188 WeakPolarHBondContact O-CB 3.2Å; C184-R188 PolarHBondContact O-N 3.17Å |
| 185 | D | 63.4 | Low | 68.3 | Low | 64 Ų | 64 | 78 Ų | 78 | 34% | 0.342 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 172.7 | -82.9 | -43.7 | 0 | 0 | 0 | 110.5 | N181 Q187 R188 L189 | N181-D185 VanDerWaalsContact O-CA 3.26Å; N181-D185 WeakPolarHBondContact O-CA 3.42Å; N181-D185 WeakPolarHBondContact O-CB 3.47Å; N181-D185 PolarHBondContact O-N 3.1Å; D185-Q187 VanDerWaalsContact C-N 3.35Å; D185-R188 PolarHBondContact O-N 3.14Å; D185-R188 IonicContact OD1-CZ 3.77Å; D185-R188 IonicContact OD1-NE 3Å; D185-R188 PolarHBondContact OD1-NE 3.19Å; D185-R188 IonicContact OD1-NH2 3.48Å; D185-R188 PolarHBondContact OD1-NH2 2.8Å; D185-L189 VanDerWaalsContact O-CB 3.27Å; D185-L189 WeakPolarHBondContact O-CB 3.45Å; D185-L189 WeakPolarHBondContact O-CG 3.47Å; D185-L189 PolarHBondContact O-N 3.4Å |
| 186 | L | 68.4 | Low | 68.4 | Low | 119 Ų | 119 | 74 Ų | 74 | 62% | 0.623 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 175.1 | -171.2 | 66.1 | 0 | 0 | 0 | 111.4 | V182 T183 A190 | V182-L186 VanDerWaalsContact O-CB 3.24Å; V182-L186 WeakPolarHBondContact O-CB 3.06Å; V182-L186 PolarHBondContact O-N 2.89Å; T183-L186 CarbonylContact O-C 3.59Å; T183-L186 PolarHBondContact O-N 2.81Å; L186-A190 WeakPolarHBondContact O-CB 3.35Å; L186-A190 PolarHBondContact O-N 3.46Å |
| 187 | Q | 65.8 | Low | 68.5 | Low | 133 Ų | 133 | 70 Ų | 70 | 62% | 0.621 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.1 | -37.5 | 173.6 | -79.4 | -179.2 | 2.5 | 0 | 0 | 111.6 | T183 C184 D185 A190 T191 | T183-Q187 VanDerWaalsContact O-CB 3.24Å; T183-Q187 WeakPolarHBondContact O-CB 3.25Å; T183-Q187 WeakPolarHBondContact O-CG 3.31Å; T183-Q187 PolarHBondContact O-N 2.89Å; C184-Q187 CarbonylContact O-C 3.6Å; C184-Q187 PolarHBondContact O-N 2.98Å; D185-Q187 VanDerWaalsContact C-N 3.35Å; Q187-A190 PolarHBondContact O-N 3.08Å; Q187-T191 VanDerWaalsContact O-CB 3.27Å; Q187-T191 WeakPolarHBondContact O-CB 3.45Å; Q187-T191 PolarHBondContact O-N 3.05Å; Q187-T191 PolarHBondContact O-OG1 2.85Å |
| 188 | R | 68 | Low | 69.5 | Low | 116 Ų | 116 | 68 Ų | 68 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.1 | -50 | 175.9 | -176.7 | 175.5 | 72.5 | 90.1 | -7.2 | 110.1 | C184 D185 A190 T191 D192 | C184-R188 WeakPolarHBondContact O-CA 3.42Å; C184-R188 WeakPolarHBondContact O-CB 3.2Å; C184-R188 PolarHBondContact O-N 3.17Å; D185-R188 PolarHBondContact O-N 3.14Å; D185-R188 IonicContact OD1-CZ 3.77Å; D185-R188 IonicContact OD1-NE 3Å; D185-R188 PolarHBondContact OD1-NE 3.19Å; D185-R188 IonicContact OD1-NH2 3.48Å; D185-R188 PolarHBondContact OD1-NH2 2.8Å; R188-A190 PolarHBondContact O-N 3.38Å; R188-T191 WeakPolarHBondContact O-CB 3.44Å; R188-T191 PolarHBondContact O-N 3.43Å; R188-D192 WeakPolarHBondContact O-CB 3.34Å; R188-D192 PolarHBondContact O-N 3.24Å |
| 189 | L | 74.2 | Confident | 70.9 | Confident | 79 Ų | 79 | 74.9 Ų | 74.9 | 41% | 0.414 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 172.5 | -72.6 | 171.3 | 0 | 0 | 0 | 110.4 | D185 T191 D192 Y193 | D185-L189 VanDerWaalsContact O-CB 3.27Å; D185-L189 WeakPolarHBondContact O-CB 3.45Å; D185-L189 WeakPolarHBondContact O-CG 3.47Å; D185-L189 PolarHBondContact O-N 3.4Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.16Å; L189-D192 PolarHBondContact O-N 3.43Å; L189-Y193 HydrophobicContact CB-CD2 4.38Å; L189-Y193 HydrophobicContact CB-CE2 4.32Å; L189-Y193 WeakPolarHBondContact O-CB 3.24Å; L189-Y193 WeakPolarHBondContact O-CD2 3.44Å; L189-Y193 PolarHBondContact O-N 3.13Å |
| 190 | A | 74.8 | Confident | 72.4 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L186 Q187 R188 Y193 L194 | L186-A190 WeakPolarHBondContact O-CB 3.35Å; L186-A190 PolarHBondContact O-N 3.46Å; Q187-A190 PolarHBondContact O-N 3.08Å; R188-A190 PolarHBondContact O-N 3.38Å; A190-Y193 PolarHBondContact O-N 3.4Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.45Å; A190-L194 PolarHBondContact O-N 3.25Å |
| 191 | T | 76.8 | Confident | 74 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 22% | 0.221 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | Q187 R188 L189 Y193 L194 L195 A240 | Q187-T191 VanDerWaalsContact O-CB 3.27Å; Q187-T191 WeakPolarHBondContact O-CB 3.45Å; Q187-T191 PolarHBondContact O-N 3.05Å; Q187-T191 PolarHBondContact O-OG1 2.85Å; R188-T191 WeakPolarHBondContact O-CB 3.44Å; R188-T191 PolarHBondContact O-N 3.43Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 3.16Å; T191-Y193 VanDerWaalsContact C-N 3.34Å; T191-Y193 PolarHBondContact O-N 3.38Å; T191-L194 PolarHBondContact O-N 3.24Å; T191-L195 HydrophobicContact CG2-CD1 4.02Å; T191-L195 WeakPolarHBondContact O-CB 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.32Å; T191-L195 PolarHBondContact O-N 2.96Å; T191-A240 HydrophobicContact CG2-CB 3.59Å |
| 192 | D | 76.2 | Confident | 75.7 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 178.9 | -68.5 | -20.4 | 0 | 0 | 0 | 111 | R188 L189 L195 A196 R244 | R188-D192 WeakPolarHBondContact O-CB 3.34Å; R188-D192 PolarHBondContact O-N 3.24Å; L189-D192 PolarHBondContact O-N 3.43Å; D192-L195 PolarHBondContact O-N 3.44Å; D192-A196 WeakPolarHBondContact O-CB 3.35Å; D192-A196 PolarHBondContact O-N 3.05Å; D192-R244 IonicContact OD1-NH2 2.78Å |
| 193 | Y | 78.7 | Confident | 77.4 | Confident | 128 Ų | 128 | 68.4 Ų | 68.4 | 50% | 0.502 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 173.5 | -81.1 | -64.8 | 0 | 0 | 0 | 112.4 | L189 A190 T191 A196 G197 | L189-Y193 HydrophobicContact CB-CD2 4.38Å; L189-Y193 HydrophobicContact CB-CE2 4.32Å; L189-Y193 WeakPolarHBondContact O-CB 3.24Å; L189-Y193 WeakPolarHBondContact O-CD2 3.44Å; L189-Y193 PolarHBondContact O-N 3.13Å; A190-Y193 PolarHBondContact O-N 3.4Å; T191-Y193 VanDerWaalsContact C-N 3.34Å; T191-Y193 PolarHBondContact O-N 3.38Å; Y193-A196 PolarHBondContact O-N 2.89Å; Y193-G197 PolarHBondContact O-N 3.3Å |
| 194 | L | 80.7 | Confident | 78.9 | Confident | 43 Ų | 43 | 70 Ų | 70 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.7 | -42.7 | 177.7 | -158.1 | 170.4 | 0 | 0 | 0 | 110.1 | L34 T87 A190 T191 A196 G197 Y198 W236 | L34-L194 HydrophobicContact CD1-CD1 4.04Å; T87-L194 HydrophobicContact CG2-CD1 4.46Å; T87-L194 HydrophobicContact CG2-CG 4.15Å; A190-L194 VanDerWaalsContact O-CB 3.29Å; A190-L194 WeakPolarHBondContact O-CB 3.45Å; A190-L194 PolarHBondContact O-N 3.25Å; T191-L194 PolarHBondContact O-N 3.24Å; L194-A196 PolarHBondContact O-N 3.26Å; L194-G197 PolarHBondContact O-N 2.9Å; L194-Y198 WeakPolarHBondContact O-CB 3.33Å; L194-Y198 PolarHBondContact O-N 3.21Å; L194-W236 HydrophobicContact CB-CH2 3.6Å; L194-W236 HydrophobicContact CB-CZ2 4.26Å; L194-W236 HydrophobicContact CD1-CH2 4.1Å; L194-W236 HydrophobicContact CD1-CZ2 4.05Å; L194-W236 HydrophobicContact CD2-CE3 4.45Å; L194-W236 HydrophobicContact CD2-CH2 2.95Å; L194-W236 HydrophobicContact CD2-CZ2 3.55Å; L194-W236 HydrophobicContact CD2-CZ3 3.41Å; L194-W236 VanDerWaalsContact CD2-CZ3 3.41Å; L194-W236 HydrophobicContact CG-CH2 3.61Å; L194-W236 HydrophobicContact CG-CZ2 4.09Å; L194-W236 HydrophobicContact CG-CZ3 4.44Å |
| 195 | L | 84.6 | Confident | 80.4 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 173 | -75.3 | 168.2 | 0 | 0 | 0 | 112.2 | T191 D192 Y198 R199 W236 A237 | T191-L195 HydrophobicContact CG2-CD1 4.02Å; T191-L195 WeakPolarHBondContact O-CB 3.29Å; T191-L195 WeakPolarHBondContact O-CG 3.32Å; T191-L195 PolarHBondContact O-N 2.96Å; D192-L195 PolarHBondContact O-N 3.44Å; L195-Y198 PolarHBondContact O-N 3.01Å; L195-R199 WeakPolarHBondContact O-CG 3.09Å; L195-R199 PolarHBondContact O-N 2.91Å; L195-W236 HydrophobicContact CB-CH2 4.37Å; L195-W236 HydrophobicContact CB-CZ3 4.2Å; L195-W236 HydrophobicContact CD2-CD2 4.03Å; L195-W236 HydrophobicContact CD2-CE3 3.34Å; L195-W236 HydrophobicContact CD2-CH2 3.76Å; L195-W236 HydrophobicContact CD2-CZ3 3.23Å; L195-W236 HydrophobicContact CG-CE3 4.18Å; L195-W236 HydrophobicContact CG-CH2 3.64Å; L195-W236 HydrophobicContact CG-CZ2 4.46Å; L195-W236 HydrophobicContact CG-CZ3 3.6Å; L195-A237 HydrophobicContact CD1-CB 4.12Å; L195-A237 HydrophobicContact CD2-CB 3.83Å |
| 196 | A | 82.1 | Confident | 81.7 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D192 Y193 L194 Y198 R199 E200 | D192-A196 WeakPolarHBondContact O-CB 3.35Å; D192-A196 PolarHBondContact O-N 3.05Å; Y193-A196 PolarHBondContact O-N 2.89Å; L194-A196 PolarHBondContact O-N 3.26Å; A196-Y198 VanDerWaalsContact C-N 3.32Å; A196-Y198 PolarHBondContact O-N 3.12Å; A196-R199 PolarHBondContact O-N 3.44Å; A196-E200 WeakPolarHBondContact O-CG 3.47Å; A196-E200 PolarHBondContact O-N 3.05Å |
| 197 | G | 81.8 | Confident | 82.7 | Confident | 3 Ų | 3 | 65.9 Ų | 65.9 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y193 L194 E200 C201 | Y193-G197 PolarHBondContact O-N 3.3Å; L194-G197 PolarHBondContact O-N 2.9Å; G197-E200 PolarHBondContact O-N 3.21Å; G197-C201 WeakPolarHBondContact O-CB 3.12Å; G197-C201 PolarHBondContact O-N 3.31Å |
| 198 | Y | 87 | Confident | 83.8 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 8% | 0.078 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 173 | -176.2 | -95 | 0 | 0 | 0 | 111.5 | L83 L194 L195 A196 E200 C201 V202 L229 Y232 W236 | L83-Y198 HydrophobicContact CD2-CD2 3.86Å; L83-Y198 HydrophobicContact CD2-CE2 4.34Å; L194-Y198 WeakPolarHBondContact O-CB 3.33Å; L194-Y198 PolarHBondContact O-N 3.21Å; L195-Y198 PolarHBondContact O-N 3.01Å; A196-Y198 VanDerWaalsContact C-N 3.32Å; A196-Y198 PolarHBondContact O-N 3.12Å; Y198-E200 PolarHBondContact O-N 3.37Å; Y198-C201 VanDerWaalsContact O-CB 3.31Å; Y198-C201 WeakPolarHBondContact O-CB 3.49Å; Y198-C201 PolarHBondContact O-N 2.91Å; Y198-V202 HydrophobicContact CD1-CG2 4.09Å; Y198-V202 HydrophobicContact CE1-CG2 3.64Å; Y198-V202 WeakPolarHBondContact O-CG2 3.26Å; Y198-V202 PolarHBondContact O-N 3.4Å; Y198-L229 WeakPolarHBondContact CE1-O 3.34Å; Y198-L229 PolarHBondContact OH-O 3.21Å; Y198-Y232 HydrophobicContact CE2-CD1 4.4Å; Y198-W236 HydrophobicContact CG-CZ3 4.49Å |
| 199 | R | 88.2 | Confident | 84.9 | Confident | 191 Ų | 191 | 59.9 Ų | 59.9 | 72% | 0.721 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 177.5 | -70.7 | 178.4 | 67.6 | -135.3 | -2 | 112.5 | L195 A196 C201 V202 A203 | L195-R199 WeakPolarHBondContact O-CG 3.09Å; L195-R199 PolarHBondContact O-N 2.91Å; A196-R199 PolarHBondContact O-N 3.44Å; R199-C201 VanDerWaalsContact C-N 3.33Å; R199-V202 PolarHBondContact O-N 3.24Å; R199-A203 PolarHBondContact O-N 2.8Å |
| 200 | E | 87.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 62.8 Ų | 62.8 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 173.2 | -71.9 | 170.2 | 166.3 | 0 | 0 | 111 | K90 A196 G197 Y198 A203 E204 | K90-E200 IonicContact NZ-OE1 2.8Å; K90-E200 PolarHBondContact NZ-OE1 3.05Å; K90-E200 IonicContact NZ-OE2 2.76Å; K90-E200 PolarHBondContact NZ-OE2 3.37Å; A196-E200 WeakPolarHBondContact O-CG 3.47Å; A196-E200 PolarHBondContact O-N 3.05Å; G197-E200 PolarHBondContact O-N 3.21Å; Y198-E200 PolarHBondContact O-N 3.37Å; E200-A203 WeakPolarHBondContact O-CB 3.38Å; E200-A203 PolarHBondContact O-N 3.13Å; E200-E204 PolarHBondContact O-N 3.46Å |
| 201 | C | 88.5 | Confident | 86.4 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 112 | C82 G197 Y198 R199 A203 E204 V205 | C82-C201 VanDerWaalsContact CB-SG 3.55Å; G197-C201 WeakPolarHBondContact O-CB 3.12Å; G197-C201 PolarHBondContact O-N 3.31Å; Y198-C201 VanDerWaalsContact O-CB 3.31Å; Y198-C201 WeakPolarHBondContact O-CB 3.49Å; Y198-C201 PolarHBondContact O-N 2.91Å; R199-C201 VanDerWaalsContact C-N 3.33Å; C201-A203 VanDerWaalsContact C-N 3.27Å; C201-A203 PolarHBondContact O-N 3.23Å; C201-E204 PolarHBondContact O-N 2.84Å; C201-E204 VanDerWaalsContact O-N 3.16Å; C201-V205 WeakPolarHBondContact O-CG2 3.27Å; C201-V205 PolarHBondContact O-N 3.09Å |
| 202 | V | 90.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 178.1 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | Y198 R199 V205 A206 I226 L229 Q230 | Y198-V202 HydrophobicContact CD1-CG2 4.09Å; Y198-V202 HydrophobicContact CE1-CG2 3.64Å; Y198-V202 WeakPolarHBondContact O-CG2 3.26Å; Y198-V202 PolarHBondContact O-N 3.4Å; R199-V202 PolarHBondContact O-N 3.24Å; V202-V205 PolarHBondContact O-N 3.49Å; V202-A206 WeakPolarHBondContact O-CB 3.47Å; V202-A206 PolarHBondContact O-N 2.72Å; V202-I226 HydrophobicContact CG1-CG2 4.46Å; V202-L229 HydrophobicContact CG1-CB 4.1Å; V202-L229 HydrophobicContact CG2-CB 3.83Å; V202-L229 HydrophobicContact CG2-CD1 4.48Å; V202-Q230 HydrophobicContact CG1-CG 4.11Å |
| 203 | A | 90.2 | Very high | 87.5 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 49% | 0.488 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R199 E200 C201 A206 K207 | R199-A203 PolarHBondContact O-N 2.8Å; E200-A203 WeakPolarHBondContact O-CB 3.38Å; E200-A203 PolarHBondContact O-N 3.13Å; C201-A203 VanDerWaalsContact C-N 3.27Å; C201-A203 PolarHBondContact O-N 3.23Å; A203-A206 WeakPolarHBondContact O-CB 3.46Å; A203-A206 PolarHBondContact O-N 2.93Å; A203-K207 PolarHBondContact O-N 3.2Å |
| 204 | E | 90.2 | Very high | 87.9 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 177.2 | -162.6 | 62 | -155 | 0 | 0 | 111.7 | E200 C201 A206 K207 Y208 | E200-E204 PolarHBondContact O-N 3.46Å; C201-E204 PolarHBondContact O-N 2.84Å; C201-E204 VanDerWaalsContact O-N 3.16Å; E204-A206 VanDerWaalsContact C-N 3.35Å; E204-A206 PolarHBondContact O-N 3.34Å; E204-K207 CarbonylContact O-C 3.6Å; E204-K207 WeakPolarHBondContact O-CB 3.4Å; E204-K207 PolarHBondContact O-N 3.37Å; E204-K207 IonicContact OE1-NZ 2.79Å; E204-K207 PolarHBondContact OE1-NZ 3.44Å; E204-K207 IonicContact OE2-NZ 3.42Å; E204-K207 PolarHBondContact OE2-NZ 3.13Å; E204-Y208 WeakPolarHBondContact O-CB 3.19Å; E204-Y208 PolarHBondContact O-N 3.4Å |
| 205 | V | 90.4 | Very high | 88.3 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 170 | 172.6 | 0 | 0 | 0 | 0 | 110 | C201 V202 K207 Y208 L209 L225 I226 L229 | C201-V205 WeakPolarHBondContact O-CG2 3.27Å; C201-V205 PolarHBondContact O-N 3.09Å; V202-V205 PolarHBondContact O-N 3.49Å; V205-K207 PolarHBondContact O-N 2.85Å; V205-Y208 PolarHBondContact O-N 2.81Å; V205-Y208 VanDerWaalsContact O-N 3.13Å; V205-L209 HydrophobicContact CG1-CD1 4.07Å; V205-L209 HydrophobicContact CG1-CG 4.27Å; V205-L209 VanDerWaalsContact O-CG 3.27Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 2.99Å; V205-L225 HydrophobicContact CG1-CD2 4.41Å; V205-I226 HydrophobicContact CG1-CD1 4.05Å; V205-L229 HydrophobicContact CB-CD1 4.48Å; V205-L229 HydrophobicContact CG1-CD1 4.04Å |
| 206 | A | 90.9 | Very high | 88.5 | Confident | 17 Ų | 17 | 67 Ų | 67 | 14% | 0.14 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -31.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V202 A203 E204 R222 I226 | V202-A206 WeakPolarHBondContact O-CB 3.47Å; V202-A206 PolarHBondContact O-N 2.72Å; A203-A206 WeakPolarHBondContact O-CB 3.46Å; A203-A206 PolarHBondContact O-N 2.93Å; E204-A206 VanDerWaalsContact C-N 3.35Å; E204-A206 PolarHBondContact O-N 3.34Å; A206-R222 PolarHBondContact O-NH2 3.41Å; A206-I226 HydrophobicContact CB-CD1 3.62Å; A206-I226 HydrophobicContact CB-CG1 4.03Å |
| 207 | K | 90.7 | Very high | 88.8 | Confident | 113 Ų | 113 | 72.1 Ų | 72.1 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.5 | -39.5 | 174.9 | 177.7 | -179.2 | 157.9 | -139.1 | 0 | 112.2 | A203 E204 V205 Y210 S211 | A203-K207 PolarHBondContact O-N 3.2Å; E204-K207 CarbonylContact O-C 3.6Å; E204-K207 WeakPolarHBondContact O-CB 3.4Å; E204-K207 PolarHBondContact O-N 3.37Å; E204-K207 IonicContact OE1-NZ 2.79Å; E204-K207 PolarHBondContact OE1-NZ 3.44Å; E204-K207 IonicContact OE2-NZ 3.42Å; E204-K207 PolarHBondContact OE2-NZ 3.13Å; V205-K207 PolarHBondContact O-N 2.85Å; K207-Y210 PolarHBondContact O-N 3.03Å; K207-S211 WeakPolarHBondContact O-CB 3.46Å; K207-S211 PolarHBondContact O-N 3.18Å; K207-S211 PolarHBondContact O-OG 3.48Å |
| 208 | Y | 89.4 | Confident | 89.1 | Confident | 117 Ų | 117 | 80 Ų | 80 | 46% | 0.459 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 175.4 | 178.6 | -90.3 | 0 | 0 | 0 | 111.3 | E204 V205 Y210 S211 V212 E213 | E204-Y208 WeakPolarHBondContact O-CB 3.19Å; E204-Y208 PolarHBondContact O-N 3.4Å; V205-Y208 PolarHBondContact O-N 2.81Å; V205-Y208 VanDerWaalsContact O-N 3.13Å; Y208-Y210 PolarHBondContact O-N 3.47Å; Y208-S211 PolarHBondContact O-N 3.41Å; Y208-V212 HydrophobicContact CD2-CB 3.89Å; Y208-V212 HydrophobicContact CD2-CG1 4.38Å; Y208-V212 HydrophobicContact CD2-CG2 3.59Å; Y208-V212 HydrophobicContact CE1-CB 4.38Å; Y208-V212 HydrophobicContact CE1-CG1 4.46Å; Y208-V212 HydrophobicContact CE2-CB 3.7Å; Y208-V212 HydrophobicContact CE2-CG1 3.67Å; Y208-V212 HydrophobicContact CE2-CG2 3.67Å; Y208-V212 HydrophobicContact CG-CB 4.32Å; Y208-V212 HydrophobicContact CG-CG2 4.32Å; Y208-V212 WeakPolarHBondContact O-CB 3.45Å; Y208-V212 PolarHBondContact O-N 3.08Å; Y208-E213 HydrophobicContact CD1-CG 4.35Å; Y208-E213 HydrophobicContact CE1-CG 3.87Å; Y208-E213 WeakPolarHBondContact CE1-OE1 3.41Å; Y208-E213 PolarHBondContact O-N 3.44Å |
| 209 | L | 90.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.026 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -56.8 | -37 | 176.1 | -63.9 | 174.3 | 0 | 0 | 0 | 111.7 | V205 E213 G214 L215 R222 L225 I226 | V205-L209 HydrophobicContact CG1-CD1 4.07Å; V205-L209 HydrophobicContact CG1-CG 4.27Å; V205-L209 VanDerWaalsContact O-CG 3.27Å; V205-L209 WeakPolarHBondContact O-CG 3.44Å; V205-L209 PolarHBondContact O-N 2.99Å; L209-E213 WeakPolarHBondContact CD2-OE2 3.5Å; L209-E213 WeakPolarHBondContact O-CB 3.36Å; L209-G214 PolarHBondContact O-N 3.29Å; L209-L215 HydrophobicContact CB-CD1 4.42Å; L209-L215 HydrophobicContact CD2-CD1 4.19Å; L209-L215 WeakPolarHBondContact O-CB 3.4Å; L209-L215 PolarHBondContact O-N 3.28Å; L209-R222 HydrophobicContact CB-CG 4.17Å; L209-R222 HydrophobicContact CD1-CB 4.44Å; L209-R222 HydrophobicContact CD1-CG 3.87Å; L209-L225 HydrophobicContact CD1-CD2 3.75Å; L209-L225 HydrophobicContact CD1-CG 4.49Å; L209-L225 HydrophobicContact CD2-CD2 4.14Å; L209-I226 HydrophobicContact CD1-CD1 4Å; L209-I226 HydrophobicContact CD1-CG1 4.25Å |
| 210 | Y | 91.2 | Very high | 89.3 | Confident | 141 Ų | 141 | 76.9 Ų | 76.9 | 55% | 0.553 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -77.6 | -48.8 | 178.3 | 179.7 | -103.4 | 0 | 0 | 0 | 113.3 | K207 Y208 G214 L215 | K207-Y210 PolarHBondContact O-N 3.03Å; Y208-Y210 PolarHBondContact O-N 3.47Å; Y210-G214 WeakPolarHBondContact O-CA 3.35Å; Y210-L215 WeakPolarHBondContact CA-O 3.11Å |
| 211 | S | 89.5 | Confident | 89.3 | Confident | 78 Ų | 78 | 75.3 Ų | 75.3 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -85.6 | -29.5 | -169.9 | 58 | 0 | 0 | 0 | 0 | 114.6 | K207 Y208 | K207-S211 WeakPolarHBondContact O-CB 3.46Å; K207-S211 PolarHBondContact O-N 3.18Å; K207-S211 PolarHBondContact O-OG 3.48Å; Y208-S211 PolarHBondContact O-N 3.41Å |
| 212 | V | 86.9 | Confident | 89.4 | Confident | 91 Ų | 91 | 76 Ų | 76 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -48.2 | -175.4 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | Y208 G214 | Y208-V212 HydrophobicContact CD2-CB 3.89Å; Y208-V212 HydrophobicContact CD2-CG1 4.38Å; Y208-V212 HydrophobicContact CD2-CG2 3.59Å; Y208-V212 HydrophobicContact CE1-CB 4.38Å; Y208-V212 HydrophobicContact CE1-CG1 4.46Å; Y208-V212 HydrophobicContact CE2-CB 3.7Å; Y208-V212 HydrophobicContact CE2-CG1 3.67Å; Y208-V212 HydrophobicContact CE2-CG2 3.67Å; Y208-V212 HydrophobicContact CG-CB 4.32Å; Y208-V212 HydrophobicContact CG-CG2 4.32Å; Y208-V212 WeakPolarHBondContact O-CB 3.45Å; Y208-V212 PolarHBondContact O-N 3.08Å; V212-G214 VanDerWaalsContact C-N 3.33Å |
| 213 | E | 88.3 | Confident | 89.4 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -82.9 | -12.7 | 179.6 | -60.2 | -174.2 | 176.4 | 0 | 0 | 113 | Y208 L209 L215 | Y208-E213 HydrophobicContact CD1-CG 4.35Å; Y208-E213 HydrophobicContact CE1-CG 3.87Å; Y208-E213 WeakPolarHBondContact CE1-OE1 3.41Å; Y208-E213 PolarHBondContact O-N 3.44Å; L209-E213 WeakPolarHBondContact CD2-OE2 3.5Å; L209-E213 WeakPolarHBondContact O-CB 3.36Å; E213-L215 HydrophobicContact CB-CD1 4.35Å; E213-L215 HydrophobicContact CB-CG 3.92Å; E213-L215 PolarHBondContact O-N 2.9Å; E213-L215 VanDerWaalsContact OE2-CD1 3.32Å; E213-L215 WeakPolarHBondContact OE2-CD1 3.21Å |
| 214 | G | 88.2 | Confident | 89.4 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 62% | 0.619 | 41% | 0.412 | S | S | * | . | trans | 68.4 | 18.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L209 Y210 V212 D216 | L209-G214 PolarHBondContact O-N 3.29Å; Y210-G214 WeakPolarHBondContact O-CA 3.35Å; V212-G214 VanDerWaalsContact C-N 3.33Å; G214-D216 PolarHBondContact O-N 3.45Å | ||
| 215 | L | 87.9 | Confident | 89.5 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | trans | -76.2 | 110.4 | 176.2 | -56.6 | -177.5 | 0 | 0 | 0 | 109.2 | L209 Y210 E213 N219 L221 R222 | L209-L215 HydrophobicContact CB-CD1 4.42Å; L209-L215 HydrophobicContact CD2-CD1 4.19Å; L209-L215 WeakPolarHBondContact O-CB 3.4Å; L209-L215 PolarHBondContact O-N 3.28Å; Y210-L215 WeakPolarHBondContact CA-O 3.11Å; E213-L215 HydrophobicContact CB-CD1 4.35Å; E213-L215 HydrophobicContact CB-CG 3.92Å; E213-L215 PolarHBondContact O-N 2.9Å; E213-L215 VanDerWaalsContact OE2-CD1 3.32Å; E213-L215 WeakPolarHBondContact OE2-CD1 3.21Å; L215-N219 HydrophobicContact CB-CB 4.18Å; L215-L221 HydrophobicContact CD1-CD2 3.87Å; L215-R222 HydrophobicContact CB-CB 4.19Å; L215-R222 HydrophobicContact CD1-CB 4.37Å; L215-R222 WeakPolarHBondContact O-CD 3.31Å | ||
| 216 | D | 88.7 | Confident | 89.5 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | trans | -62.2 | 169.9 | 176.5 | 68.7 | 21.6 | 0 | 0 | 0 | 112.4 | G214 Q218 N219 R222 | G214-D216 PolarHBondContact O-N 3.45Å; D216-Q218 PolarHBondContact O-N 2.92Å; D216-Q218 VanDerWaalsContact OD1-C 3.32Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.42Å; D216-Q218 PolarHBondContact OD1-N 3.11Å; D216-N219 WeakPolarHBondContact O-CB 3.35Å; D216-N219 PolarHBondContact O-N 3.29Å; D216-N219 WeakPolarHBondContact OD1-CA 3.36Å; D216-N219 WeakPolarHBondContact OD1-CB 3.5Å; D216-N219 PolarHBondContact OD1-N 3.46Å; D216-R222 WeakPolarHBondContact O-CD 3.28Å | ||
| 217 | Q | 88.3 | Confident | 89.5 | Confident | 140 Ų | 140 | 79.5 Ų | 79.5 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.8 | 178.3 | -66.6 | 180 | -23.4 | 0 | 0 | 113.2 | N223 | Q217-N223 PolarHBondContact O-ND2 2.9Å; Q217-N223 PolarHBondContact O-OD1 3.33Å |
| 218 | Q | 89.8 | Confident | 89.4 | Confident | 169 Ų | 169 | 79 Ų | 79 | 79% | 0.79 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.8 | -179.7 | -62.4 | -171.3 | -6.5 | 0 | 0 | 112 | D216 | D216-Q218 PolarHBondContact O-N 2.92Å; D216-Q218 VanDerWaalsContact OD1-C 3.32Å; D216-Q218 WeakPolarHBondContact OD1-CA 3.42Å; D216-Q218 PolarHBondContact OD1-N 3.11Å |
| 219 | N | 89.3 | Confident | 89.5 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | trans | -64.5 | 121.4 | -174.6 | -167.7 | -74 | 0 | 0 | 0 | 110.5 | L215 D216 L221 R222 N223 | L215-N219 HydrophobicContact CB-CB 4.18Å; D216-N219 WeakPolarHBondContact O-CB 3.35Å; D216-N219 PolarHBondContact O-N 3.29Å; D216-N219 WeakPolarHBondContact OD1-CA 3.36Å; D216-N219 WeakPolarHBondContact OD1-CB 3.5Å; D216-N219 PolarHBondContact OD1-N 3.46Å; N219-L221 VanDerWaalsContact C-N 3.25Å; N219-L221 PolarHBondContact O-N 3.03Å; N219-L221 VanDerWaalsContact OD1-CB 3.28Å; N219-L221 WeakPolarHBondContact OD1-CB 3.4Å; N219-L221 PolarHBondContact OD1-N 3.03Å; N219-R222 HydrophobicContact CB-CB 4.1Å; N219-R222 PolarHBondContact O-N 3.3Å; N219-R222 PolarHBondContact OD1-N 3.46Å; N219-N223 PolarHBondContact O-N 3.43Å; N219-N223 PolarHBondContact O-ND2 3.47Å | ||
| 220 | P | 89.8 | Confident | 89.6 | Confident | 103 Ų | 103 | 79.4 Ų | 79.4 | 67% | 0.669 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.3 | -31.1 | -174.8 | 24.6 | -33.9 | 0 | 0 | 0 | 112.4 | R224 | P220-R224 VanDerWaalsContact O-CB 3.23Å; P220-R224 WeakPolarHBondContact O-CB 3.36Å; P220-R224 PolarHBondContact O-N 2.97Å |
| 221 | L | 86.6 | Confident | 89.5 | Confident | 74 Ų | 74 | 78 Ų | 78 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 177.4 | -175.7 | 153.7 | 0 | 0 | 0 | 110.7 | L215 N219 N223 R224 L225 | L215-L221 HydrophobicContact CD1-CD2 3.87Å; N219-L221 VanDerWaalsContact C-N 3.25Å; N219-L221 PolarHBondContact O-N 3.03Å; N219-L221 VanDerWaalsContact OD1-CB 3.28Å; N219-L221 WeakPolarHBondContact OD1-CB 3.4Å; N219-L221 PolarHBondContact OD1-N 3.03Å; L221-N223 VanDerWaalsContact C-N 3.35Å; L221-N223 PolarHBondContact O-N 3.19Å; L221-R224 PolarHBondContact O-N 2.68Å; L221-L225 WeakPolarHBondContact O-CB 3.34Å; L221-L225 PolarHBondContact O-N 2.67Å |
| 222 | R | 89.9 | Confident | 89.2 | Confident | 34 Ų | 34 | 80.7 Ų | 80.7 | 13% | 0.128 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 175.8 | -179.5 | -176.1 | 178.9 | -84.8 | -0.8 | 110.6 | A206 L209 L215 D216 N219 R224 L225 I226 | A206-R222 PolarHBondContact O-NH2 3.41Å; L209-R222 HydrophobicContact CB-CG 4.17Å; L209-R222 HydrophobicContact CD1-CB 4.44Å; L209-R222 HydrophobicContact CD1-CG 3.87Å; L215-R222 HydrophobicContact CB-CB 4.19Å; L215-R222 HydrophobicContact CD1-CB 4.37Å; L215-R222 WeakPolarHBondContact O-CD 3.31Å; D216-R222 WeakPolarHBondContact O-CD 3.28Å; N219-R222 HydrophobicContact CB-CB 4.1Å; N219-R222 PolarHBondContact O-N 3.3Å; N219-R222 PolarHBondContact OD1-N 3.46Å; R222-R224 PolarHBondContact O-N 2.92Å; R222-L225 PolarHBondContact O-N 3.41Å; R222-I226 HydrophobicContact CG-CG1 4.41Å; R222-I226 WeakPolarHBondContact O-CG1 3.35Å; R222-I226 PolarHBondContact O-N 3.11Å |
| 223 | N | 91.1 | Very high | 89.2 | Confident | 62 Ų | 62 | 76.9 Ų | 76.9 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | -177.3 | -70.6 | -25 | 0 | 0 | 0 | 112 | Q217 N219 L221 S227 | Q217-N223 PolarHBondContact O-ND2 2.9Å; Q217-N223 PolarHBondContact O-OD1 3.33Å; N219-N223 PolarHBondContact O-N 3.43Å; N219-N223 PolarHBondContact O-ND2 3.47Å; L221-N223 VanDerWaalsContact C-N 3.35Å; L221-N223 PolarHBondContact O-N 3.19Å; N223-S227 VanDerWaalsContact O-CB 3.22Å; N223-S227 WeakPolarHBondContact O-CB 3.46Å; N223-S227 PolarHBondContact O-N 3.36Å; N223-S227 PolarHBondContact O-OG 3.29Å |
| 224 | R | 91 | Very high | 89 | Confident | 101 Ų | 101 | 76 Ų | 76 | 38% | 0.381 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 174.7 | -174.4 | 177.8 | -177.8 | 165.3 | 4.4 | 112.4 | E63 M64 P220 L221 R222 S227 H228 | E63-R224 VanDerWaalsContact O-CZ 3.32Å; E63-R224 PolarHBondContact O-NH1 3.33Å; E63-R224 PolarHBondContact O-NH2 2.9Å; M64-R224 VanDerWaalsContact CG-NH2 3.3Å; M64-R224 PolarHBondContact SD-NH2 2.88Å; M64-R224 VanDerWaalsContact SD-NH2 3.41Å; P220-R224 VanDerWaalsContact O-CB 3.23Å; P220-R224 WeakPolarHBondContact O-CB 3.36Å; P220-R224 PolarHBondContact O-N 2.97Å; L221-R224 PolarHBondContact O-N 2.68Å; R222-R224 PolarHBondContact O-N 2.92Å; R224-S227 PolarHBondContact O-N 2.87Å; R224-H228 VanDerWaalsContact O-CB 3.31Å; R224-H228 WeakPolarHBondContact O-CB 3.42Å; R224-H228 PolarHBondContact O-N 3.27Å |
| 225 | L | 90.3 | Very high | 88.5 | Confident | 50 Ų | 50 | 77 Ų | 77 | 26% | 0.262 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 179.8 | 177.8 | 60 | 0 | 0 | 0 | 111.6 | V205 L209 L221 R222 S227 H228 L229 | V205-L225 HydrophobicContact CG1-CD2 4.41Å; L209-L225 HydrophobicContact CD1-CD2 3.75Å; L209-L225 HydrophobicContact CD1-CG 4.49Å; L209-L225 HydrophobicContact CD2-CD2 4.14Å; L221-L225 WeakPolarHBondContact O-CB 3.34Å; L221-L225 PolarHBondContact O-N 2.67Å; R222-L225 PolarHBondContact O-N 3.41Å; L225-S227 VanDerWaalsContact C-N 3.35Å; L225-S227 PolarHBondContact O-N 3.18Å; L225-H228 PolarHBondContact O-N 3.31Å; L225-L229 HydrophobicContact CD1-CD1 4.25Å; L225-L229 HydrophobicContact CD1-CG 4.31Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 2.86Å |
| 226 | I | 92.1 | Very high | 87.9 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 179.1 | -63.8 | -51.3 | 0 | 0 | 0 | 111.1 | V202 V205 A206 L209 R222 H228 L229 Q230 | V202-I226 HydrophobicContact CG1-CG2 4.46Å; V205-I226 HydrophobicContact CG1-CD1 4.05Å; A206-I226 HydrophobicContact CB-CD1 3.62Å; A206-I226 HydrophobicContact CB-CG1 4.03Å; L209-I226 HydrophobicContact CD1-CD1 4Å; L209-I226 HydrophobicContact CD1-CG1 4.25Å; R222-I226 HydrophobicContact CG-CG1 4.41Å; R222-I226 WeakPolarHBondContact O-CG1 3.35Å; R222-I226 PolarHBondContact O-N 3.11Å; I226-H228 VanDerWaalsContact C-N 3.34Å; I226-H228 PolarHBondContact O-N 3.29Å; I226-L229 PolarHBondContact O-N 3.5Å; I226-Q230 HydrophobicContact CG2-CG 4.26Å; I226-Q230 WeakPolarHBondContact O-CB 3.31Å; I226-Q230 WeakPolarHBondContact O-CG 3.04Å; I226-Q230 PolarHBondContact O-N 3.31Å |
| 227 | S | 90.9 | Very high | 87.3 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | N223 R224 L225 Q230 Y231 | N223-S227 VanDerWaalsContact O-CB 3.22Å; N223-S227 WeakPolarHBondContact O-CB 3.46Å; N223-S227 PolarHBondContact O-N 3.36Å; N223-S227 PolarHBondContact O-OG 3.29Å; R224-S227 PolarHBondContact O-N 2.87Å; L225-S227 VanDerWaalsContact C-N 3.35Å; L225-S227 PolarHBondContact O-N 3.18Å; S227-Q230 PolarHBondContact O-N 2.76Å; S227-Y231 VanDerWaalsContact O-CB 3.31Å; S227-Y231 WeakPolarHBondContact O-CB 3.46Å; S227-Y231 PolarHBondContact O-N 2.91Å |
| 228 | H | 88.8 | Confident | 86.3 | Confident | 104 Ų | 104 | 73.2 Ų | 73.2 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.1 | 178.6 | -94.4 | 0 | 0 | 0 | 112.1 | R224 L225 I226 Y231 Y232 | R224-H228 VanDerWaalsContact O-CB 3.31Å; R224-H228 WeakPolarHBondContact O-CB 3.42Å; R224-H228 PolarHBondContact O-N 3.27Å; L225-H228 PolarHBondContact O-N 3.31Å; I226-H228 VanDerWaalsContact C-N 3.34Å; I226-H228 PolarHBondContact O-N 3.29Å; H228-Y231 PolarHBondContact O-N 2.81Å; H228-Y232 WeakPolarHBondContact O-CB 3.34Å; H228-Y232 PolarHBondContact O-N 3.15Å |
| 229 | L | 91.5 | Very high | 85.2 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.4 | -67.3 | 173.9 | 0 | 0 | 0 | 111.7 | Y198 V202 V205 L225 I226 Y232 G233 | Y198-L229 WeakPolarHBondContact CE1-O 3.34Å; Y198-L229 PolarHBondContact OH-O 3.21Å; V202-L229 HydrophobicContact CG1-CB 4.1Å; V202-L229 HydrophobicContact CG2-CB 3.83Å; V202-L229 HydrophobicContact CG2-CD1 4.48Å; V205-L229 HydrophobicContact CB-CD1 4.48Å; V205-L229 HydrophobicContact CG1-CD1 4.04Å; L225-L229 HydrophobicContact CD1-CD1 4.25Å; L225-L229 HydrophobicContact CD1-CG 4.31Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 2.86Å; I226-L229 PolarHBondContact O-N 3.5Å; L229-Y232 PolarHBondContact O-N 3.03Å; L229-G233 PolarHBondContact O-N 3.29Å |
| 230 | Q | 91.2 | Very high | 83.9 | Confident | 109 Ų | 109 | 67.2 Ų | 67.2 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 175.8 | -73.1 | 172.1 | -19 | 0 | 0 | 111.5 | V202 I226 S227 G233 T234 | V202-Q230 HydrophobicContact CG1-CG 4.11Å; I226-Q230 HydrophobicContact CG2-CG 4.26Å; I226-Q230 WeakPolarHBondContact O-CB 3.31Å; I226-Q230 WeakPolarHBondContact O-CG 3.04Å; I226-Q230 PolarHBondContact O-N 3.31Å; S227-Q230 PolarHBondContact O-N 2.76Å; Q230-G233 PolarHBondContact O-N 2.93Å; Q230-T234 WeakPolarHBondContact O-CG2 3.19Å; Q230-T234 PolarHBondContact O-N 2.73Å |
| 231 | Y | 89.7 | Confident | 82.1 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -49 | 175.1 | 176.1 | -105 | 0 | 0 | 0 | 111.4 | S227 H228 G233 T234 Q235 | S227-Y231 VanDerWaalsContact O-CB 3.31Å; S227-Y231 WeakPolarHBondContact O-CB 3.46Å; S227-Y231 PolarHBondContact O-N 2.91Å; H228-Y231 PolarHBondContact O-N 2.81Å; Y231-G233 VanDerWaalsContact C-N 3.29Å; Y231-G233 PolarHBondContact O-N 3.33Å; Y231-T234 PolarHBondContact O-N 3.08Å; Y231-T234 PolarHBondContact O-OG1 2.93Å; Y231-Q235 HydrophobicContact CD1-CG 4.23Å; Y231-Q235 HydrophobicContact CD2-CG 4.39Å; Y231-Q235 HydrophobicContact CE1-CG 3.86Å; Y231-Q235 HydrophobicContact CE2-CG 4.01Å; Y231-Q235 HydrophobicContact CG-CG 4.5Å; Y231-Q235 WeakPolarHBondContact O-CG 3.31Å; Y231-Q235 PolarHBondContact O-N 3.11Å; Y231-Q235 PolarHBondContact OH-NE2 2.84Å; Y231-Q235 VanDerWaalsContact OH-NE2 3.12Å |
| 232 | Y | 84.1 | Confident | 80.1 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 177.2 | -171 | -93 | 0 | 0 | 0 | 112.2 | Y198 H228 L229 T234 Q235 W236 | Y198-Y232 HydrophobicContact CE2-CD1 4.4Å; H228-Y232 WeakPolarHBondContact O-CB 3.34Å; H228-Y232 PolarHBondContact O-N 3.15Å; L229-Y232 PolarHBondContact O-N 3.03Å; Y232-T234 VanDerWaalsContact C-N 3.34Å; Y232-T234 PolarHBondContact O-N 3.04Å; Y232-Q235 PolarHBondContact O-N 3.46Å; Y232-W236 WeakPolarHBondContact O-CB 3.46Å; Y232-W236 PolarHBondContact O-N 2.95Å |
| 233 | G | 85.8 | Confident | 77.9 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 11% | 0.113 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L229 Q230 Y231 A237 | L229-G233 PolarHBondContact O-N 3.29Å; Q230-G233 PolarHBondContact O-N 2.93Å; Y231-G233 VanDerWaalsContact C-N 3.29Å; Y231-G233 PolarHBondContact O-N 3.33Å; G233-A237 WeakPolarHBondContact O-CB 3.14Å; G233-A237 PolarHBondContact O-N 2.87Å |
| 234 | T | 83.8 | Confident | 75.8 | Confident | 78 Ų | 78 | 73.3 Ų | 73.3 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.7 | -36 | 176.9 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | Q230 Y231 Y232 A237 T238 | Q230-T234 WeakPolarHBondContact O-CG2 3.19Å; Q230-T234 PolarHBondContact O-N 2.73Å; Y231-T234 PolarHBondContact O-N 3.08Å; Y231-T234 PolarHBondContact O-OG1 2.93Å; Y232-T234 VanDerWaalsContact C-N 3.34Å; Y232-T234 PolarHBondContact O-N 3.04Å; T234-A237 PolarHBondContact O-N 3.13Å; T234-T238 PolarHBondContact O-N 3.3Å; T234-T238 PolarHBondContact O-OG1 3.33Å |
| 235 | Q | 78.7 | Confident | 73.5 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 38% | 0.383 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 175.8 | -64.3 | -63.2 | 65.8 | 0 | 0 | 111.7 | Y231 Y232 T238 T239 | Y231-Q235 HydrophobicContact CD1-CG 4.23Å; Y231-Q235 HydrophobicContact CD2-CG 4.39Å; Y231-Q235 HydrophobicContact CE1-CG 3.86Å; Y231-Q235 HydrophobicContact CE2-CG 4.01Å; Y231-Q235 HydrophobicContact CG-CG 4.5Å; Y231-Q235 WeakPolarHBondContact O-CG 3.31Å; Y231-Q235 PolarHBondContact O-N 3.11Å; Y231-Q235 PolarHBondContact OH-NE2 2.84Å; Y231-Q235 VanDerWaalsContact OH-NE2 3.12Å; Y232-Q235 PolarHBondContact O-N 3.46Å; Q235-T238 PolarHBondContact O-N 3.46Å; Q235-T239 PolarHBondContact O-N 3.29Å; Q235-T239 PolarHBondContact O-OG1 3.3Å |
| 236 | W | 74.1 | Confident | 71.2 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 174.7 | -179.2 | 46.8 | 0 | 0 | 0 | 112.1 | L194 L195 Y198 Y232 T238 T239 A240 | L194-W236 HydrophobicContact CB-CH2 3.6Å; L194-W236 HydrophobicContact CB-CZ2 4.26Å; L194-W236 HydrophobicContact CD1-CH2 4.1Å; L194-W236 HydrophobicContact CD1-CZ2 4.05Å; L194-W236 HydrophobicContact CD2-CE3 4.45Å; L194-W236 HydrophobicContact CD2-CH2 2.95Å; L194-W236 HydrophobicContact CD2-CZ2 3.55Å; L194-W236 HydrophobicContact CD2-CZ3 3.41Å; L194-W236 VanDerWaalsContact CD2-CZ3 3.41Å; L194-W236 HydrophobicContact CG-CH2 3.61Å; L194-W236 HydrophobicContact CG-CZ2 4.09Å; L194-W236 HydrophobicContact CG-CZ3 4.44Å; L195-W236 HydrophobicContact CB-CH2 4.37Å; L195-W236 HydrophobicContact CB-CZ3 4.2Å; L195-W236 HydrophobicContact CD2-CD2 4.03Å; L195-W236 HydrophobicContact CD2-CE3 3.34Å; L195-W236 HydrophobicContact CD2-CH2 3.76Å; L195-W236 HydrophobicContact CD2-CZ3 3.23Å; L195-W236 HydrophobicContact CG-CE3 4.18Å; L195-W236 HydrophobicContact CG-CH2 3.64Å; L195-W236 HydrophobicContact CG-CZ2 4.46Å; L195-W236 HydrophobicContact CG-CZ3 3.6Å; Y198-W236 HydrophobicContact CG-CZ3 4.49Å; Y232-W236 WeakPolarHBondContact O-CB 3.46Å; Y232-W236 PolarHBondContact O-N 2.95Å; W236-T238 VanDerWaalsContact C-N 3.26Å; W236-T238 PolarHBondContact O-N 3.4Å; W236-T239 WeakPolarHBondContact CA-OG1 3.11Å; W236-T239 PolarHBondContact O-N 3.25Å; W236-T239 PolarHBondContact O-OG1 3.4Å; W236-T239 VanDerWaalsContact O-OG1 3.12Å; W236-A240 VanDerWaalsContact O-CB 3.25Å; W236-A240 WeakPolarHBondContact O-CB 3.26Å; W236-A240 PolarHBondContact O-N 3.02Å |
| 237 | A | 76.2 | Confident | 68.9 | Low | 28 Ų | 28 | 80.4 Ų | 80.4 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L195 G233 T234 C241 | L195-A237 HydrophobicContact CD1-CB 4.12Å; L195-A237 HydrophobicContact CD2-CB 3.83Å; G233-A237 WeakPolarHBondContact O-CB 3.14Å; G233-A237 PolarHBondContact O-N 2.87Å; T234-A237 PolarHBondContact O-N 3.13Å; A237-C241 PolarHBondContact O-N 2.91Å; A237-C241 PolarHBondContact O-SG 3.3Å |
| 238 | T | 68.7 | Low | 66.7 | Low | 80 Ų | 80 | 80.9 Ų | 80.9 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | -179.9 | -55 | 0 | 0 | 0 | 0 | 112.4 | T234 Q235 W236 C241 H242 | T234-T238 PolarHBondContact O-N 3.3Å; T234-T238 PolarHBondContact O-OG1 3.33Å; Q235-T238 PolarHBondContact O-N 3.46Å; W236-T238 VanDerWaalsContact C-N 3.26Å; W236-T238 PolarHBondContact O-N 3.4Å; T238-C241 CarbonylContact O-C 3.38Å; T238-C241 WeakPolarHBondContact O-CA 3.32Å; T238-C241 VanDerWaalsContact O-CB 3.26Å; T238-C241 WeakPolarHBondContact O-CB 3.34Å; T238-C241 PolarHBondContact O-N 3.09Å; T238-H242 PolarHBondContact O-N 3.48Å |
| 239 | T | 66.1 | Low | 64.2 | Low | 74 Ų | 74 | 79.4 Ų | 79.4 | 45% | 0.454 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -71 | -35.2 | 175.2 | 35.4 | 0 | 0 | 0 | 0 | 112.3 | Q235 W236 C241 H242 L243 | Q235-T239 PolarHBondContact O-N 3.29Å; Q235-T239 PolarHBondContact O-OG1 3.3Å; W236-T239 WeakPolarHBondContact CA-OG1 3.11Å; W236-T239 PolarHBondContact O-N 3.25Å; W236-T239 PolarHBondContact O-OG1 3.4Å; W236-T239 VanDerWaalsContact O-OG1 3.12Å; T239-C241 PolarHBondContact O-N 3.47Å; T239-H242 PolarHBondContact O-N 3.46Å; T239-L243 PolarHBondContact O-N 2.84Å; T239-L243 VanDerWaalsContact O-N 3.09Å |
| 240 | A | 62.3 | Low | 62 | Low | 11 Ų | 11 | 84 Ų | 84 | 9% | 0.091 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.8 | -27.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T191 W236 R244 | T191-A240 HydrophobicContact CG2-CB 3.59Å; W236-A240 VanDerWaalsContact O-CB 3.25Å; W236-A240 WeakPolarHBondContact O-CB 3.26Å; W236-A240 PolarHBondContact O-N 3.02Å; A240-R244 WeakPolarHBondContact O-CG 3.28Å |
| 241 | C | 50.9 | Low | 59.7 | Low | 44 Ų | 44 | 89.5 Ų | 89.5 | 30% | 0.297 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.5 | -28.8 | 167.4 | -64.5 | 0 | 0 | 0 | 0 | 113.5 | A237 T238 T239 R244 I245 | A237-C241 PolarHBondContact O-N 2.91Å; A237-C241 PolarHBondContact O-SG 3.3Å; T238-C241 CarbonylContact O-C 3.38Å; T238-C241 WeakPolarHBondContact O-CA 3.32Å; T238-C241 VanDerWaalsContact O-CB 3.26Å; T238-C241 WeakPolarHBondContact O-CB 3.34Å; T238-C241 PolarHBondContact O-N 3.09Å; T239-C241 PolarHBondContact O-N 3.47Å; C241-R244 VanDerWaalsContact O-CA 3.3Å; C241-R244 WeakPolarHBondContact O-CA 3.11Å; C241-R244 WeakPolarHBondContact O-CB 3.48Å; C241-R244 WeakPolarHBondContact O-CG 3.13Å; C241-R244 PolarHBondContact O-N 2.89Å; C241-R244 PolarHBondContact SG-NH1 2.97Å; C241-I245 PolarHBondContact O-N 2.97Å |
| 242 | H | 44.4 | Very low | 57.3 | Low | 102 Ų | 102 | 93.3 Ų | 93.3 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.8 | -29.2 | -179.9 | -148.1 | -71 | 0 | 0 | 0 | 112.6 | T238 T239 R244 I245 N246 | T238-H242 PolarHBondContact O-N 3.48Å; T239-H242 PolarHBondContact O-N 3.46Å; H242-R244 PolarHBondContact O-N 3.42Å; H242-I245 PolarHBondContact O-N 2.78Å; H242-I245 VanDerWaalsContact O-N 3.12Å; H242-N246 PolarHBondContact O-N 3.27Å |
| 243 | L | 44 | Very low | 55.6 | Low | 132 Ų | 132 | 92.8 Ų | 92.8 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.2 | -25.3 | 162.6 | -77.9 | 151.9 | 0 | 0 | 0 | 111.9 | T239 | T239-L243 PolarHBondContact O-N 2.84Å; T239-L243 VanDerWaalsContact O-N 3.09Å |
| 244 | R | 47.2 | Very low | 53.3 | Low | 124 Ų | 124 | 96.4 Ų | 96.4 | 47% | 0.468 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.3 | -21.9 | 175.3 | -47.1 | 174 | -175.8 | -179.4 | -9.2 | 113.1 | D192 A240 C241 H242 | D192-R244 IonicContact OD1-NH2 2.78Å; A240-R244 WeakPolarHBondContact O-CG 3.28Å; C241-R244 VanDerWaalsContact O-CA 3.3Å; C241-R244 WeakPolarHBondContact O-CA 3.11Å; C241-R244 WeakPolarHBondContact O-CB 3.48Å; C241-R244 WeakPolarHBondContact O-CG 3.13Å; C241-R244 PolarHBondContact O-N 2.89Å; C241-R244 PolarHBondContact SG-NH1 2.97Å; H242-R244 PolarHBondContact O-N 3.42Å |
| 245 | I | 41.9 | Very low | 51.1 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 57% | 0.569 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -92.2 | -37.6 | -178.2 | -58.9 | 174.7 | 0 | 0 | 0 | 110.6 | C241 H242 A248 | C241-I245 PolarHBondContact O-N 2.97Å; H242-I245 PolarHBondContact O-N 2.78Å; H242-I245 VanDerWaalsContact O-N 3.12Å; I245-A248 PolarHBondContact O-N 3.39Å |
| 246 | N | 42.3 | Very low | 49.1 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 62% | 0.615 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -79.2 | -19.2 | -177.4 | -74.7 | -2.4 | 0 | 0 | 0 | 114.3 | H242 A248 | H242-N246 PolarHBondContact O-N 3.27Å; N246-A248 PolarHBondContact O-N 2.72Å |
| 247 | A | 44.4 | Very low | 47.5 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 73% | 0.727 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -15 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 248 | A | 44.2 | Very low | 45.8 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 9.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I245 N246 P250 | I245-A248 PolarHBondContact O-N 3.39Å; N246-A248 PolarHBondContact O-N 2.72Å; A248-P250 WeakPolarHBondContact O-CD 3.27Å |
| 249 | A | 38 | Very low | 44.4 | Very low | 73 Ų | 73 | 115.7 Ų | 115.7 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | trans | -77.6 | 109.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y251 | A249-Y251 PolarHBondContact O-N 3.05Š| ||
| 250 | P | 43.9 | Very low | 43.5 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | trans | -72.4 | 133.2 | 178.3 | -2 | 19.9 | 0 | 0 | 0 | 108.4 | A248 Q252 | A248-P250 WeakPolarHBondContact O-CD 3.27Å; P250-Q252 PolarHBondContact O-N 3.41Å | ||
| 251 | Y | 44 | Very low | 42.8 | Very low | 225 Ų | 225 | 124.2 Ų | 124.2 | 88% | 0.882 | 70% | 0.697 | S | S | * | * | trans | -46.8 | 111.4 | 166.2 | -65.5 | -87.9 | 0 | 0 | 0 | 110 | A249 T253 | A249-Y251 PolarHBondContact O-N 3.05Å; Y251-T253 PolarHBondContact O-N 2.74Å; Y251-T253 VanDerWaalsContact O-N 3.11Å | ||
| 252 | Q | 38.8 | Very low | 42.2 | Very low | 192 Ų | 192 | 127.6 Ų | 127.6 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | trans | -65.7 | 105.2 | 160.8 | -75.8 | 179.7 | 0.7 | 0 | 0 | 107 | P250 | P250-Q252 PolarHBondContact O-N 3.41Š| ||
| 253 | T | 48.8 | Very low | 42.2 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -65.9 | 128.9 | 169.5 | 50.7 | 0 | 0 | 0 | 0 | 109.1 | Y251 | Y251-T253 PolarHBondContact O-N 2.74Å; Y251-T253 VanDerWaalsContact O-N 3.11Å | ||
| 254 | P | 37.9 | Very low | 41.6 | Very low | 87 Ų | 87 | 129.1 Ų | 129.1 | 57% | 0.565 | 74% | 0.743 | S | S | * | * | trans | -72.7 | 148.4 | -179.8 | 30.3 | -34.1 | 0 | 0 | 0 | 111.3 | W256 | P254-W256 PolarHBondContact O-N 3.44Š| ||
| 255 | P | 36.1 | Very low | 41.4 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -83.6 | 83.4 | -176.9 | 33.6 | -32 | 0 | 0 | 0 | 110.2 | ||
| 256 | W | 36.2 | Very low | 41.3 | Very low | 197 Ų | 197 | 128 Ų | 128 | 75% | 0.746 | 78% | 0.777 | S | S | * | * | trans | -150.5 | 87.6 | 164.8 | 61.7 | -78.4 | 0 | 0 | 0 | 110.5 | P254 | P254-W256 PolarHBondContact O-N 3.44Š| ||
| 257 | S | 42.4 | Very low | 41.1 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -151.6 | 86 | 154.4 | -85.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 258 | T | 39.8 | Very low | 41.3 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -61.7 | 126.4 | 164.1 | 42.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 259 | N | 38.7 | Very low | 41.3 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 147.9 | 108.3 | 129.8 | -89.1 | -16.3 | 0 | 0 | 0 | 110.8 | |||||
| 260 | V | 46.9 | Very low | 41.6 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | -168.8 | 113.1 | 112.2 | -96.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 261 | T | 48.3 | Very low | 41.4 | Very low | 132 Ų | 132 | 133.7 Ų | 133.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | 59.9 | 126.2 | 144.8 | 51.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 262 | P | 37.8 | Very low | 41.1 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | trans | -97.4 | 145.3 | 173.4 | 37.4 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 263 | V | 43.9 | Very low | 41.3 | Very low | 150 Ų | 150 | 126.4 Ų | 126.4 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -134.7 | 123.3 | 153.3 | 165.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 264 | C | 32.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -87.9 | 137.4 | -177.1 | -37.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 265 | A | 41.6 | Very low | 40.9 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | -160.6 | 110.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 266 | A | 40.6 | Very low | 41.3 | Very low | 108 Ų | 108 | 127 Ų | 127 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -15.7 | 148.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 267 | G | 37.8 | Very low | 41.2 | Very low | 61 Ų | 61 | 123.9 Ų | 123.9 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | 144.5 | 91.5 | 131.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 268 | H | 48 | Very low | 40.7 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | 81.4 | 132.5 | 143.8 | -59.6 | -78.1 | 0 | 0 | 0 | 122.5 | ||||
| 269 | P | 45.8 | Very low | 40.5 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -104.6 | 154.6 | 176.7 | 39.6 | -30.7 | 0 | 0 | 0 | 113.1 | ||||
| 270 | A | 42.8 | Very low | 40.2 | Very low | 100 Ų | 100 | 128.6 Ų | 128.6 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | trans | -158.9 | 110.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 271 | A | 39.9 | Very low | 39.6 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | 39.7 | 128.5 | 135.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 272 | G | 39.1 | Very low | 38.9 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 177.4 | 99.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 273 | M | 43.1 | Very low | 38.7 | Very low | 182 Ų | 182 | 126.1 Ų | 126.1 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -75.5 | 146 | -171.7 | -62.1 | 152.6 | 60.6 | 0 | 0 | 113.9 | ||||
| 274 | C | 39.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | 172.8 | 113.9 | 118.9 | -98 | 0 | 0 | 0 | 0 | 112 | |||||
| 275 | S | 38.2 | Very low | 38.1 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -79.3 | -170.8 | 161.7 | -46.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 276 | P | 45.1 | Very low | 37.7 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | cis | -136.5 | 170.8 | -5 | 35.1 | -14.1 | 0 | 0 | 0 | 114.1 | ||||
| 277 | D | 34.1 | Very low | 37.2 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | 163.7 | 123.5 | 112.3 | -155.2 | -5.6 | 0 | 0 | 0 | 109.7 | |||||
| 278 | M | 31.6 | Very low | 36.9 | Very low | 176 Ų | 176 | 130.8 Ų | 130.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -123.2 | 104.8 | 177.9 | -78.1 | -76.8 | 155.9 | 0 | 0 | 105.7 | ||||
| 279 | S | 36 | Very low | 36 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | -131.2 | 123.8 | 169.8 | -75.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 280 | F | 32 | Very low | 35.3 | Very low | 216 Ų | 216 | 129.3 Ų | 129.3 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | trans | -55.8 | 142.7 | -179.5 | -76 | -106.5 | 0 | 0 | 0 | 113 | ||||
| 281 | G | 33.6 | Very low | 34.8 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -176.7 | 85.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 282 | N | 34.1 | Very low | 34.4 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | 59 | 115.5 | 138.5 | -162.4 | 8.5 | 0 | 0 | 0 | 120.7 | N284 | N282-N284 PolarHBondContact O-N 3.31Š| ||
| 283 | P | 33.3 | Very low | 34 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -87.3 | 80.7 | 167.7 | 35.8 | -27.3 | 0 | 0 | 0 | 109.7 | ||
| 284 | N | 30.7 | Very low | 33.5 | Very low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -157.2 | 78.3 | 165.3 | -97 | -26.8 | 0 | 0 | 0 | 109.4 | N282 | N282-N284 PolarHBondContact O-N 3.31Š| ||
| 285 | S | 34 | Very low | 33.1 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -145.7 | 93.3 | 164.9 | -158.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 286 | Y | 31.5 | Very low | 32.6 | Very low | 201 Ų | 201 | 129.5 Ų | 129.5 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -5.9 | 116.7 | 143.1 | 38.7 | -87.7 | 0 | 0 | 0 | 115 | ||||
| 287 | C | 31.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | trans | -106.9 | 104.6 | 156.6 | -120.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 288 | A | 30.1 | Very low | 32 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -80.8 | 154.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 289 | T | 30.7 | Very low | 31.8 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 68.1 | 109.5 | 151.6 | 62.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 290 | N | 30.6 | Very low | 31.4 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | -163.7 | 88.1 | 106 | -125.8 | 3.9 | 0 | 0 | 0 | 111.4 | S292 | N290-S292 PolarHBondContact O-N 3.36Š| |||
| 291 | S | 31.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -81.5 | 103.4 | 167 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 292 | S | 31.5 | Very low | 31.3 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 136.1 | 166.2 | -64 | 0 | 0 | 0 | 0 | 109.8 | N290 L294 | N290-S292 PolarHBondContact O-N 3.36Å; S292-L294 PolarHBondContact O-N 3.16Å |
| 293 | P | 30.5 | Very low | 31.2 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 117.8 | 174.7 | 30.7 | -28.1 | 0 | 0 | 0 | 109.5 | ||
| 294 | L | 33.2 | Very low | 31.5 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -92 | 148.2 | 168.3 | -80.3 | 165.2 | 0 | 0 | 0 | 110.4 | S292 | S292-L294 PolarHBondContact O-N 3.16Š|
| 295 | P | 31.4 | Very low | 31.8 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 155.3 | -153 | 7.9 | 9.3 | 0 | 0 | 0 | 113.2 | F297 | P295-F297 PolarHBondContact O-N 2.8Š|
| 296 | S | 28.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -52.8 | 114.8 | 171.9 | 55 | 0 | 0 | 0 | 0 | 112.4 | Q298 | S296-Q298 PolarHBondContact O-N 3.3Š| ||
| 297 | F | 33.2 | Very low | 31.7 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | trans | -74.3 | 102.5 | 162.4 | -98.2 | -90.1 | 0 | 0 | 0 | 109 | P295 N299 | P295-F297 PolarHBondContact O-N 2.8Å; F297-N299 PolarHBondContact O-N 2.97Å | ||
| 298 | Q | 32 | Very low | 31.8 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -68.4 | 119.1 | 166.2 | -80.3 | -177.3 | -39.7 | 0 | 0 | 109.4 | S296 S300 | S296-Q298 PolarHBondContact O-N 3.3Å; Q298-S300 PolarHBondContact O-N 3.22Å | ||
| 299 | N | 28.6 | Very low | 32.1 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -65.3 | 110.8 | 166.8 | -160.8 | 12.3 | 0 | 0 | 0 | 108.2 | F297 | F297-N299 PolarHBondContact O-N 2.97Š| ||
| 300 | S | 27.3 | Very low | 32.1 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -118 | 86.3 | 174.7 | -144.1 | 0 | 0 | 0 | 0 | 109.9 | Q298 R302 | Q298-S300 PolarHBondContact O-N 3.22Å; S300-R302 PolarHBondContact O-N 2.87Å | ||
| 301 | T | 29.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -73.7 | 100.6 | 163.2 | -37.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 302 | R | 33.5 | Very low | 32.9 | Very low | 221 Ų | 221 | 147.4 Ų | 147.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -103.4 | 105.1 | 170.5 | -141.9 | -174 | -135.1 | -152.5 | 5.9 | 109.7 | S300 | S300-R302 PolarHBondContact O-N 2.87Š| ||
| 303 | I | 32.3 | Very low | 33.2 | Very low | 143 Ų | 143 | 151 Ų | 151 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | trans | -69.7 | 129.8 | 162 | -64.2 | -174.2 | 0 | 0 | 0 | 107.5 | ||||
| 304 | V | 39.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | -128 | 107.5 | 163.8 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 305 | N | 35.9 | Very low | 34.1 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 146.3 | 164.6 | -94.9 | -20 | 0 | 0 | 0 | 110.3 | ||||
| 306 | G | 29.6 | Very low | 34.9 | Very low | 67 Ų | 67 | 162.2 Ų | 162.2 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | 46.7 | 125.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 307 | S | 35.6 | Very low | 35.2 | Very low | 126 Ų | 126 | 164.9 Ų | 164.9 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | -177.5 | 144.9 | 76.4 | -59.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 308 | K | 34.1 | Very low | 35.3 | Very low | 190 Ų | 190 | 162.6 Ų | 162.6 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -55.2 | 144 | 172.2 | -62.5 | 168.4 | 175.4 | 178.7 | 0 | 111.7 | ||||
| 309 | Q | 36.3 | Very low | 35.5 | Very low | 187 Ų | 187 | 162 Ų | 162 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | -169.7 | 141.7 | 120.4 | -101.6 | 178.9 | 37.5 | 0 | 0 | 111.7 | |||||
| 310 | W | 30.8 | Very low | 35.9 | Very low | 224 Ų | 224 | 162.5 Ų | 162.5 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -73.5 | 153.8 | -176.2 | -67.4 | 65.9 | 0 | 0 | 0 | 111 | ||||
| 311 | F | 39.3 | Very low | 36.4 | Very low | 208 Ų | 208 | 166.1 Ų | 166.1 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | -164.3 | 135.2 | 122.6 | -98.6 | -70.6 | 0 | 0 | 0 | 110.9 | |||||
| 312 | S | 38 | Very low | 36.9 | Very low | 95 Ų | 95 | 169.3 Ų | 169.3 | 66% | 0.664 | 83% | 0.834 | S | S | * | * | trans | -65.8 | 144.8 | -178.9 | -167.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 313 | N | 39.3 | Very low | 37.1 | Very low | 174 Ų | 174 | 165.6 Ų | 165.6 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | -148.6 | 106.4 | 143.3 | -104.6 | -17.4 | 0 | 0 | 0 | 109.9 | ||||
| 314 | R | 36.1 | Very low | 37.5 | Very low | 224 Ų | 224 | 167.3 Ų | 167.3 | 85% | 0.845 | 84% | 0.841 | S | S | * | * | trans | -103.6 | 134.6 | 165.7 | 178.9 | 175.9 | -133 | -117.4 | -2.4 | 106.3 | ||||
| 315 | S | 44.6 | Very low | 37.3 | Very low | 106 Ų | 106 | 171 Ų | 171 | 74% | 0.741 | 85% | 0.849 | S | S | * | * | trans | 159.5 | 98.4 | 141.9 | -72.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 316 | Y | 48.5 | Very low | 37.5 | Very low | 304 Ų | 304 | 173.2 Ų | 173.2 | 100% | 1.192 | 86% | 0.855 | S | S | * | * | -168.6 | 0 | 100.5 | -106.6 | -85.6 | 0 | 0 | 0 | 108.4 |
Retrieved 316 of 316 residues in 45.5 ms
(Link to these results)