| 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 | 34.7 | Very low | 42.2 | Very low | 250 Ų | 250 | 158.4 Ų | 158.4 | 100% | 1.232 | 85% | 0.854 | S | S | * | * | 0 | 118.3 | 0 | -70.7 | 172.7 | -179.1 | 0 | 0 | 108.1 | |||||
| 2 | A | 42 | Very low | 41.6 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | -145.4 | 91.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | L | 40.3 | Very low | 41.5 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | trans | -121.5 | 91.1 | -179 | -176.1 | 136.1 | 0 | 0 | 0 | 106.7 | ||||
| 4 | W | 42.8 | Very low | 41.7 | Very low | 236 Ų | 236 | 154.9 Ų | 154.9 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | -138.2 | 127.7 | 160.7 | -72.6 | 82.9 | 0 | 0 | 0 | 107.8 | ||||
| 5 | K | 44.8 | Very low | 41.3 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 79% | 0.787 | 84% | 0.844 | S | S | * | * | trans | -132.8 | 67.9 | -151.7 | -166.6 | 171.5 | -171.6 | 176.6 | 0 | 106.2 | R7 | K5-R7 PolarHBondContact O-N 3.43Š| ||
| 6 | D | 43.8 | Very low | 40.9 | Very low | 151 Ų | 151 | 152.5 Ų | 152.5 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | trans | -91 | 86.3 | 179 | -64 | -40 | 0 | 0 | 0 | 109.4 | ||||
| 7 | R | 42.5 | Very low | 40.9 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 87% | 0.872 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 146 | 166.9 | -171.8 | 166.7 | -172.8 | 162.1 | 1.6 | 108.6 | K5 | K5-R7 PolarHBondContact O-N 3.43Š|
| 8 | P | 48.4 | Very low | 41 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 71% | 0.708 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 147.4 | -151.3 | 32.1 | -33.9 | 0 | 0 | 0 | 113.7 | S10 | P8-S10 PolarHBondContact O-N 3.32Š|
| 9 | S | 45.7 | Very low | 41.1 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 94% | 0.944 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 118.9 | 169.2 | -162.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 10 | S | 41.9 | Very low | 41.2 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -110.1 | 137.8 | -176.5 | 170.5 | 0 | 0 | 0 | 0 | 109 | P8 | P8-S10 PolarHBondContact O-N 3.32Š| ||
| 11 | A | 36.9 | Very low | 41.5 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | 68.2 | 114.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 12 | G | 35.6 | Very low | 41.8 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -156.2 | 100.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 13 | D | 40.1 | Very low | 41.8 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 135.3 | -167.8 | -53.5 | -67 | 0 | 0 | 0 | 113.9 | ||||
| 14 | K | 43.6 | Very low | 42 | Very low | 213 Ų | 213 | 134.9 Ų | 134.9 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | trans | -134.7 | 82.1 | 152.4 | -69.8 | -165.5 | -179.7 | -179.3 | 0 | 108.5 | ||||
| 15 | E | 35.6 | Very low | 42.6 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 161.2 | 159 | -64.6 | -173.7 | 138.3 | 0 | 0 | 110.9 | ||||
| 16 | A | 35.5 | Very low | 43 | Very low | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 72.8 | 80.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 17 | A | 40.6 | Very low | 43.6 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | -134.4 | 70.4 | 129.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S19 | A17-S19 PolarHBondContact O-N 3.41Š| |||
| 18 | L | 43.5 | Very low | 44 | Very low | 165 Ų | 165 | 115.9 Ų | 115.9 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -63.8 | 89.3 | 157.7 | -75.8 | 164.7 | 0 | 0 | 0 | 106 | S20 | L18-S20 PolarHBondContact O-N 3.32Š| ||
| 19 | S | 42 | Very low | 44.2 | Very low | 119 Ų | 119 | 112.9 Ų | 112.9 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -71.6 | 85.3 | 163.8 | -165.9 | 0 | 0 | 0 | 0 | 106 | A17 A21 | A17-S19 PolarHBondContact O-N 3.41Å; S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 3.38Å | ||
| 20 | S | 44.4 | Very low | 44.6 | Very low | 86 Ų | 86 | 115.6 Ų | 115.6 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | trans | -58.5 | 100.7 | 164.4 | 33.3 | 0 | 0 | 0 | 0 | 106.8 | L18 D22 | L18-S20 PolarHBondContact O-N 3.32Å; S20-D22 PolarHBondContact O-N 3.07Å | ||
| 21 | A | 46.1 | Very low | 45 | Very low | 99 Ų | 99 | 119.5 Ų | 119.5 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -63.7 | 87 | 160.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | S19 G23 | S19-A21 VanDerWaalsContact C-N 3.33Å; S19-A21 PolarHBondContact O-N 3.38Å; A21-G23 PolarHBondContact O-N 3.09Å | ||
| 22 | D | 42 | Very low | 45.8 | Very low | 152 Ų | 152 | 118.5 Ų | 118.5 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -66.2 | 69.4 | 161.6 | -81.1 | -39.8 | 0 | 0 | 0 | 108.2 | S20 N24 | S20-D22 PolarHBondContact O-N 3.07Å; D22-N24 PolarHBondContact O-N 3.32Å; D22-N24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | G | 42.3 | Very low | 46.6 | Very low | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | trans | -73 | 95.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | A21 | A21-G23 PolarHBondContact O-N 3.09Š| ||
| 24 | N | 42.8 | Very low | 47.1 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | -48.3 | 118.6 | 176.7 | -176.7 | -15.2 | 0 | 0 | 0 | 110.3 | D22 A26 D27 | D22-N24 PolarHBondContact O-N 3.32Å; D22-N24 VanDerWaalsContact O-N 3.12Å; N24-A26 PolarHBondContact O-N 3.33Å; N24-A26 VanDerWaalsContact OD1-CB 3.27Å; N24-A26 WeakPolarHBondContact OD1-CB 3.24Å; N24-A26 PolarHBondContact OD1-N 2.93Å; N24-D27 PolarHBondContact O-N 3.42Å; N24-D27 VanDerWaalsContact O-N 3.13Å | ||
| 25 | P | 56.5 | Low | 47.6 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -14.3 | -176.7 | 25.6 | -34.8 | 0 | 0 | 0 | 113.5 | D27 L28 | P25-D27 PolarHBondContact O-N 3.33Å; P25-L28 PolarHBondContact O-N 2.82Å |
| 26 | A | 54.2 | Low | 48.3 | Very low | 66 Ų | 66 | 111.1 Ų | 111.1 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -63 | -27.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | N24 L28 G29 | N24-A26 PolarHBondContact O-N 3.33Å; N24-A26 VanDerWaalsContact OD1-CB 3.27Å; N24-A26 WeakPolarHBondContact OD1-CB 3.24Å; N24-A26 PolarHBondContact OD1-N 2.93Å; A26-L28 VanDerWaalsContact C-N 3.3Å; A26-L28 PolarHBondContact O-N 3.49Å; A26-G29 PolarHBondContact O-N 2.83Å |
| 27 | D | 54.6 | Low | 49 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 60% | 0.599 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.1 | -19.4 | -178.9 | -156.3 | 39.1 | 0 | 0 | 0 | 112.7 | N24 P25 | N24-D27 PolarHBondContact O-N 3.42Å; N24-D27 VanDerWaalsContact O-N 3.13Å; P25-D27 PolarHBondContact O-N 3.33Å |
| 28 | L | 51.3 | Low | 49.3 | Very low | 120 Ų | 120 | 117 Ų | 117 | 63% | 0.628 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.3 | -28.6 | 171.1 | -65.2 | 175.3 | 0 | 0 | 0 | 112.1 | P25 A26 R31 S32 | P25-L28 PolarHBondContact O-N 2.82Å; A26-L28 VanDerWaalsContact C-N 3.3Å; A26-L28 PolarHBondContact O-N 3.49Å; L28-R31 PolarHBondContact O-N 3.37Å; L28-S32 PolarHBondContact O-N 2.82Å; L28-S32 PolarHBondContact O-OG 2.81Å |
| 29 | G | 52.5 | Low | 49.4 | Very low | 46 Ų | 46 | 117.4 Ų | 117.4 | 47% | 0.474 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64.8 | -40.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A26 R31 S32 S33 | A26-G29 PolarHBondContact O-N 2.83Å; G29-R31 PolarHBondContact O-N 2.82Å; G29-S32 PolarHBondContact O-N 3.36Å; G29-S33 PolarHBondContact O-N 3.49Å |
| 30 | R | 53.6 | Low | 49.5 | Very low | 192 Ų | 192 | 116.1 Ų | 116.1 | 73% | 0.725 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.2 | -36 | 178.1 | -85.5 | -173.2 | -176.9 | -120.5 | 1.9 | 113 | S32 S33 | R30-S32 VanDerWaalsContact C-N 3.28Å; R30-S32 PolarHBondContact O-N 2.98Å; R30-S33 PolarHBondContact O-N 3Å; R30-S33 PolarHBondContact O-OG 3.3Å |
| 31 | R | 51.9 | Low | 49.3 | Very low | 186 Ų | 186 | 122.7 Ų | 122.7 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.1 | -25.2 | -179.8 | -60 | -174.2 | 97.9 | -173.6 | 8.2 | 112.6 | L28 G29 | L28-R31 PolarHBondContact O-N 3.37Å; G29-R31 PolarHBondContact O-N 2.82Å |
| 32 | S | 52.3 | Low | 49.1 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -74.2 | -37.8 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | L28 G29 R30 D34 L35 D36 | L28-S32 PolarHBondContact O-N 2.82Å; L28-S32 PolarHBondContact O-OG 2.81Å; G29-S32 PolarHBondContact O-N 3.36Å; R30-S32 VanDerWaalsContact C-N 3.28Å; R30-S32 PolarHBondContact O-N 2.98Å; S32-D34 VanDerWaalsContact C-N 3.3Å; S32-D34 PolarHBondContact O-N 3.45Å; S32-L35 PolarHBondContact O-N 2.99Å; S32-L35 VanDerWaalsContact O-N 3.16Å; S32-D36 PolarHBondContact O-N 3.45Å |
| 33 | S | 52.6 | Low | 49.4 | Very low | 65 Ų | 65 | 121.6 Ų | 121.6 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.6 | -26 | 179.7 | 43.9 | 0 | 0 | 0 | 0 | 114.4 | G29 R30 L35 S37 | G29-S33 PolarHBondContact O-N 3.49Å; R30-S33 PolarHBondContact O-N 3Å; R30-S33 PolarHBondContact O-OG 3.3Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-S37 PolarHBondContact O-OG 2.83Å |
| 34 | D | 51.8 | Low | 49.1 | Very low | 123 Ų | 123 | 128 Ų | 128 | 66% | 0.658 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.6 | -17.9 | 175.2 | -79.5 | -41.9 | 0 | 0 | 0 | 113.1 | S32 | S32-D34 VanDerWaalsContact C-N 3.3Å; S32-D34 PolarHBondContact O-N 3.45Å |
| 35 | L | 53 | Low | 49 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -84.8 | -35.6 | 176.2 | -68.3 | 175.7 | 0 | 0 | 0 | 112.2 | S32 S33 S37 R38 | S32-L35 PolarHBondContact O-N 2.99Å; S32-L35 VanDerWaalsContact O-N 3.16Å; S33-L35 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.31Å; L35-R38 PolarHBondContact O-N 3.48Å |
| 36 | D | 51.3 | Low | 48.1 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -64.5 | -27.1 | 177.1 | -78.8 | -22.7 | 0 | 0 | 0 | 112.7 | S32 R38 | S32-D36 PolarHBondContact O-N 3.45Å; D36-R38 VanDerWaalsContact C-N 3.31Å; D36-R38 PolarHBondContact O-N 2.98Å |
| 37 | S | 49 | Very low | 47.5 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.5 | -178.9 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | S33 L35 | S33-S37 PolarHBondContact O-OG 2.83Å; L35-S37 PolarHBondContact O-N 3.31Å |
| 38 | R | 48.1 | Very low | 47.2 | Very low | 224 Ų | 224 | 132.4 Ų | 132.4 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 2 | -174.7 | -143.6 | 174 | 177.4 | 174.9 | -0.9 | 114.5 | L35 D36 | L35-R38 PolarHBondContact O-N 3.48Å; D36-R38 VanDerWaalsContact C-N 3.31Å; D36-R38 PolarHBondContact O-N 2.98Å |
| 39 | E | 45.8 | Very low | 46.8 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -96.5 | 10.8 | 179.9 | -62.7 | -159.3 | 164.9 | 0 | 0 | 114.9 | R41 | E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 3.46Å | ||
| 40 | A | 44.1 | Very low | 46.7 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | trans | -90.8 | 38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 41 | R | 39 | Very low | 46.8 | Very low | 225 Ų | 225 | 128.8 Ų | 128.8 | 85% | 0.849 | 72% | 0.717 | S | S | * | * | trans | -110 | 106.9 | 162.8 | -97 | -163.8 | 166.1 | 145.5 | 1 | 109.7 | E39 S43 | E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 3.46Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 3.09Å | ||
| 42 | P | 43.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -71.7 | 88 | 176.2 | 27.9 | -31.2 | 0 | 0 | 0 | 109.4 | H44 | P42-H44 PolarHBondContact O-N 3.43Š| ||
| 43 | S | 47.2 | Very low | 46.8 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -73 | 103.2 | 164.9 | 51.2 | 0 | 0 | 0 | 0 | 108.4 | R41 G45 | R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 3.09Å; S43-G45 PolarHBondContact O-N 3Å; S43-G45 VanDerWaalsContact O-N 3.14Å | ||
| 44 | H | 37 | Very low | 47.1 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 92% | 0.917 | 72% | 0.72 | S | S | * | * | trans | -42 | 115.1 | 165.3 | -71.8 | -91.2 | 0 | 0 | 0 | 110.8 | P42 | P42-H44 PolarHBondContact O-N 3.43Š| ||
| 45 | G | 39 | Very low | 47.5 | Very low | 65 Ų | 65 | 128.6 Ų | 128.6 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | trans | 175.1 | 95.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S43 | S43-G45 PolarHBondContact O-N 3Å; S43-G45 VanDerWaalsContact O-N 3.14Å | ||
| 46 | V | 38.7 | Very low | 47.8 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | 68.3 | 93.4 | 163.2 | -162.4 | 0 | 0 | 0 | 0 | 114.8 | A48 | V46-A48 PolarHBondContact O-N 3.26Š| ||
| 47 | K | 42.1 | Very low | 48.4 | Very low | 209 Ų | 209 | 128.6 Ų | 128.6 | 91% | 0.909 | 71% | 0.709 | S | S | * | * | trans | -55.2 | 93.3 | 152.2 | -75.2 | 173.6 | 173.4 | 176.6 | 0 | 107.3 | S49 | K47-S49 PolarHBondContact O-N 2.89Š| ||
| 48 | A | 46.9 | Very low | 49.2 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 60% | 0.595 | 70% | 0.7 | S | S | * | * | trans | -59.2 | 110.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | V46 S50 | V46-A48 PolarHBondContact O-N 3.26Å; A48-S50 PolarHBondContact O-N 2.83Å; A48-S50 VanDerWaalsContact O-N 3.09Å | ||
| 49 | S | 43.2 | Very low | 50.1 | Low | 91 Ų | 91 | 119.7 Ų | 119.7 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | trans | -51.8 | 113.4 | -177.2 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | K47 S51 | K47-S49 PolarHBondContact O-N 2.89Å; S49-S51 VanDerWaalsContact C-N 3.3Å; S49-S51 PolarHBondContact O-N 2.94Å; S49-S51 VanDerWaalsContact O-N 3.07Å | ||
| 50 | S | 51.7 | Low | 50.9 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 32.5 | -159.7 | 74.6 | 0 | 0 | 0 | 0 | 115.4 | A48 | A48-S50 PolarHBondContact O-N 2.83Å; A48-S50 VanDerWaalsContact O-N 3.09Å |
| 51 | S | 54.7 | Low | 51.7 | Low | 68 Ų | 68 | 113.5 Ų | 113.5 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.8 | -14.6 | -177 | 62.8 | 0 | 0 | 0 | 0 | 117.1 | S49 | S49-S51 VanDerWaalsContact C-N 3.3Å; S49-S51 PolarHBondContact O-N 2.94Å; S49-S51 VanDerWaalsContact O-N 3.07Å |
| 52 | Y | 49.3 | Very low | 52.9 | Low | 165 Ų | 165 | 107.7 Ų | 107.7 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -29.6 | -179.2 | -75.1 | -85.8 | 0 | 0 | 0 | 113.9 | S54 V55 F56 | Y52-S54 VanDerWaalsContact C-N 3.33Å; Y52-S54 PolarHBondContact O-N 3.25Å; Y52-V55 PolarHBondContact O-N 3.01Å; Y52-F56 VanDerWaalsContact O-CD2 3.29Å; Y52-F56 WeakPolarHBondContact O-CD2 3.29Å; Y52-F56 PolarHBondContact O-N 3.5Å |
| 53 | D | 55 | Low | 53.5 | Low | 113 Ų | 113 | 111.7 Ų | 111.7 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65 | -34.4 | -176.5 | -78.7 | -22.6 | 0 | 0 | 0 | 113.4 | V55 F56 L57 | D53-V55 VanDerWaalsContact C-N 3.35Å; D53-V55 PolarHBondContact O-N 2.82Å; D53-F56 PolarHBondContact O-N 3.18Å; D53-L57 WeakPolarHBondContact O-CB 3.3Å; D53-L57 PolarHBondContact O-N 3.14Å |
| 54 | S | 58.5 | Low | 53.9 | Low | 68 Ų | 68 | 111.3 Ų | 111.3 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.7 | -33.9 | -177.6 | 65.3 | 0 | 0 | 0 | 0 | 112.9 | Y52 N58 | Y52-S54 VanDerWaalsContact C-N 3.33Å; Y52-S54 PolarHBondContact O-N 3.25Å; S54-N58 VanDerWaalsContact O-CB 3.25Å; S54-N58 WeakPolarHBondContact O-CB 3.49Å; S54-N58 PolarHBondContact O-N 3.19Å; S54-N58 PolarHBondContact O-ND2 3.31Å |
| 55 | V | 59.8 | Low | 54.8 | Low | 96 Ų | 96 | 111.1 Ų | 111.1 | 58% | 0.582 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.4 | -43.6 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | Y52 D53 N58 A59 | Y52-V55 PolarHBondContact O-N 3.01Å; D53-V55 VanDerWaalsContact C-N 3.35Å; D53-V55 PolarHBondContact O-N 2.82Å; V55-N58 PolarHBondContact O-N 3.07Å; V55-A59 VanDerWaalsContact O-CB 3.24Å; V55-A59 WeakPolarHBondContact O-CB 3.28Å; V55-A59 PolarHBondContact O-N 2.83Å |
| 56 | F | 60.7 | Low | 55.5 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.3 | -41.2 | 176.3 | -80.4 | -76.1 | 0 | 0 | 0 | 112.2 | Y52 D53 A59 A60 | Y52-F56 VanDerWaalsContact O-CD2 3.29Å; Y52-F56 WeakPolarHBondContact O-CD2 3.29Å; Y52-F56 PolarHBondContact O-N 3.5Å; D53-F56 PolarHBondContact O-N 3.18Å; F56-A59 PolarHBondContact O-N 3.05Å; F56-A60 VanDerWaalsContact O-CB 3.28Å; F56-A60 WeakPolarHBondContact O-CB 3.25Å; F56-A60 PolarHBondContact O-N 3.13Å |
| 57 | L | 64.3 | Low | 56.3 | Low | 112 Ų | 112 | 112.8 Ų | 112.8 | 59% | 0.586 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -45.3 | 176 | -164.8 | 86.3 | 0 | 0 | 0 | 110.7 | D53 A60 L61 | D53-L57 WeakPolarHBondContact O-CB 3.3Å; D53-L57 PolarHBondContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 3.26Å; L57-L61 HydrophobicContact CD2-CD1 4.34Å; L57-L61 HydrophobicContact CG-CD1 4.25Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 3.04Å |
| 58 | N | 65.3 | Low | 56.7 | Low | 90 Ų | 90 | 112.1 Ų | 112.1 | 48% | 0.481 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.2 | -40.5 | 175.1 | -86.4 | -51.3 | 0 | 0 | 0 | 112.2 | S54 V55 A60 L61 N62 | S54-N58 VanDerWaalsContact O-CB 3.25Å; S54-N58 WeakPolarHBondContact O-CB 3.49Å; S54-N58 PolarHBondContact O-N 3.19Å; S54-N58 PolarHBondContact O-ND2 3.31Å; V55-N58 PolarHBondContact O-N 3.07Å; N58-A60 VanDerWaalsContact C-N 3.35Å; N58-A60 PolarHBondContact O-N 3.02Å; N58-L61 PolarHBondContact O-N 2.96Å; N58-N62 VanDerWaalsContact O-CB 3.28Å; N58-N62 WeakPolarHBondContact O-CB 3.26Å; N58-N62 VanDerWaalsContact O-CG 3.26Å; N58-N62 PolarHBondContact O-N 2.85Å; N58-N62 PolarHBondContact O-ND2 3.4Å |
| 59 | A | 66 | Low | 56.9 | Low | 43 Ų | 43 | 112.2 Ų | 112.2 | 36% | 0.355 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V55 F56 N62 R63 | V55-A59 VanDerWaalsContact O-CB 3.24Å; V55-A59 WeakPolarHBondContact O-CB 3.28Å; V55-A59 PolarHBondContact O-N 2.83Å; F56-A59 PolarHBondContact O-N 3.05Å; A59-N62 PolarHBondContact O-N 3.06Å; A59-R63 WeakPolarHBondContact O-CB 3.37Å; A59-R63 VanDerWaalsContact O-CG 3.3Å; A59-R63 WeakPolarHBondContact O-CG 3.15Å; A59-R63 PolarHBondContact O-N 3.45Å |
| 60 | A | 62.6 | Low | 57.3 | Low | 47 Ų | 47 | 112.2 Ų | 112.2 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.8 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F56 L57 N58 R63 L64 | F56-A60 VanDerWaalsContact O-CB 3.28Å; F56-A60 WeakPolarHBondContact O-CB 3.25Å; F56-A60 PolarHBondContact O-N 3.13Å; L57-A60 PolarHBondContact O-N 3.26Å; N58-A60 VanDerWaalsContact C-N 3.35Å; N58-A60 PolarHBondContact O-N 3.02Å; A60-R63 PolarHBondContact O-N 3.15Å; A60-L64 PolarHBondContact O-N 2.79Å |
| 61 | L | 61.8 | Low | 57 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -39.2 | 176.4 | -73 | 173.3 | 0 | 0 | 0 | 112 | L57 N58 L64 R65 | L57-L61 HydrophobicContact CD2-CD1 4.34Å; L57-L61 HydrophobicContact CG-CD1 4.25Å; L57-L61 WeakPolarHBondContact O-CB 3.42Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 3.04Å; N58-L61 PolarHBondContact O-N 2.96Å; L61-L64 PolarHBondContact O-N 3.03Å; L61-R65 WeakPolarHBondContact O-CB 3.5Å; L61-R65 PolarHBondContact O-N 3.27Å |
| 62 | N | 62.9 | Low | 56.5 | Low | 103 Ų | 103 | 115.5 Ų | 115.5 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.3 | -40.4 | 174.5 | -76.5 | -24 | 0 | 0 | 0 | 111.5 | N58 A59 L64 R65 G66 | N58-N62 VanDerWaalsContact O-CB 3.28Å; N58-N62 WeakPolarHBondContact O-CB 3.26Å; N58-N62 VanDerWaalsContact O-CG 3.26Å; N58-N62 PolarHBondContact O-N 2.85Å; N58-N62 PolarHBondContact O-ND2 3.4Å; A59-N62 PolarHBondContact O-N 3.06Å; N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 3.22Å; N62-R65 PolarHBondContact O-N 3.37Å; N62-G66 PolarHBondContact O-N 3.43Å |
| 63 | R | 57.7 | Low | 56.3 | Low | 201 Ų | 201 | 112.3 Ų | 112.3 | 76% | 0.758 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.2 | -37.5 | 171.9 | -77.1 | 175.6 | 173.9 | -179.9 | -0.9 | 112.2 | A59 A60 | A59-R63 WeakPolarHBondContact O-CB 3.37Å; A59-R63 VanDerWaalsContact O-CG 3.3Å; A59-R63 WeakPolarHBondContact O-CG 3.15Å; A59-R63 PolarHBondContact O-N 3.45Å; A60-R63 PolarHBondContact O-N 3.15Å |
| 64 | L | 54.2 | Low | 55.9 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.6 | -40 | 175.8 | -87.4 | 151.5 | 0 | 0 | 0 | 112.9 | A60 L61 N62 | A60-L64 PolarHBondContact O-N 2.79Å; L61-L64 PolarHBondContact O-N 3.03Å; N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 3.22Å |
| 65 | R | 55.5 | Low | 55.1 | Low | 193 Ų | 193 | 116.7 Ų | 116.7 | 73% | 0.728 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.2 | -40.8 | 176.2 | -93.9 | -176.9 | 164.7 | 164.4 | -3.6 | 112.1 | L61 N62 R67 R68 A69 | L61-R65 WeakPolarHBondContact O-CB 3.5Å; L61-R65 PolarHBondContact O-N 3.27Å; N62-R65 PolarHBondContact O-N 3.37Å; R65-R67 PolarHBondContact O-N 2.8Å; R65-R68 PolarHBondContact O-N 3.13Å; R65-A69 PolarHBondContact O-N 3.17Å; R65-A69 VanDerWaalsContact O-N 3.09Å |
| 66 | G | 55.5 | Low | 54.3 | Low | 45 Ų | 45 | 116 Ų | 116 | 46% | 0.464 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -56.4 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N62 R68 A69 S70 | N62-G66 PolarHBondContact O-N 3.43Å; G66-R68 VanDerWaalsContact C-N 3.33Å; G66-R68 PolarHBondContact O-N 3.4Å; G66-A69 PolarHBondContact O-N 3.31Å; G66-S70 PolarHBondContact O-N 3.16Å |
| 67 | R | 54.4 | Low | 53.3 | Low | 192 Ų | 192 | 114.5 Ų | 114.5 | 73% | 0.725 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.1 | -23.5 | 176.5 | -71.9 | -174.3 | -178.9 | -172.5 | 0.6 | 114.4 | R65 N71 | R65-R67 PolarHBondContact O-N 2.8Å; R67-N71 PolarHBondContact O-ND2 3.36Å |
| 68 | R | 50.9 | Low | 52.4 | Low | 194 Ų | 194 | 118.3 Ų | 118.3 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -84.3 | -31.3 | 175.8 | -70.9 | -174.4 | -178.8 | 170.8 | 1.8 | 112.2 | R65 G66 N71 | R65-R68 PolarHBondContact O-N 3.13Å; G66-R68 VanDerWaalsContact C-N 3.33Å; G66-R68 PolarHBondContact O-N 3.4Å; R68-N71 PolarHBondContact O-N 3.01Å |
| 69 | A | 51.1 | Low | 51.6 | Low | 74 Ų | 74 | 118 Ų | 118 | 61% | 0.612 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.1 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | R65 G66 N71 | R65-A69 PolarHBondContact O-N 3.17Å; R65-A69 VanDerWaalsContact O-N 3.09Å; G66-A69 PolarHBondContact O-N 3.31Å; A69-N71 VanDerWaalsContact C-N 3.26Å; A69-N71 PolarHBondContact O-N 3.06Å |
| 70 | S | 50.5 | Low | 50.9 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -4.7 | -179.6 | 61.6 | 0 | 0 | 0 | 0 | 115.2 | G66 | G66-S70 PolarHBondContact O-N 3.16Š|
| 71 | N | 45.3 | Very low | 50.4 | Low | 124 Ų | 124 | 124 Ų | 124 | 66% | 0.663 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 14.3 | -177 | -70.4 | -66.6 | 0 | 0 | 0 | 113.6 | R67 R68 A69 P73 | R67-N71 PolarHBondContact O-ND2 3.36Å; R68-N71 PolarHBondContact O-N 3.01Å; A69-N71 VanDerWaalsContact C-N 3.26Å; A69-N71 PolarHBondContact O-N 3.06Å; N71-P73 WeakPolarHBondContact O-CD 3.08Å |
| 72 | L | 44.3 | Very low | 49.8 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 71% | 0.707 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -85.1 | 105.2 | 165.1 | -73.3 | 164.9 | 0 | 0 | 0 | 106.7 | A74 | L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.31Å |
| 73 | P | 46 | Very low | 49.3 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | trans | -60.3 | 104.2 | 172 | 25.3 | -32.5 | 0 | 0 | 0 | 107.1 | N71 Q75 | N71-P73 WeakPolarHBondContact O-CD 3.08Å; P73-Q75 PolarHBondContact O-N 3.1Å | ||
| 74 | A | 47.1 | Very low | 49 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | trans | -50.6 | 131 | 157 | 0 | 0 | 0 | 0 | 0 | 106.3 | L72 | L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.31Å | ||
| 75 | Q | 40.9 | Very low | 49 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 76.4 | 95.4 | 168.3 | -127.3 | 170 | -6.4 | 0 | 0 | 116.2 | P73 V77 | P73-Q75 PolarHBondContact O-N 3.1Å; Q75-V77 PolarHBondContact O-N 3.23Å; Q75-V77 VanDerWaalsContact O-N 3.07Å |
| 76 | G | 42.4 | Very low | 48.9 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | trans | 76.9 | 4.1 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | K78 | G76-K78 PolarHBondContact O-N 3.26Š| ||
| 77 | V | 40.8 | Very low | 48.6 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 71% | 0.709 | 70% | 0.695 | S | S | * | * | trans | -84 | 104.6 | 178 | -167 | 0 | 0 | 0 | 0 | 110.3 | Q75 S79 | Q75-V77 PolarHBondContact O-N 3.23Å; Q75-V77 VanDerWaalsContact O-N 3.07Å; V77-S79 PolarHBondContact O-N 3.46Å | ||
| 78 | K | 46 | Very low | 48.8 | Very low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 68% | 0.683 | S | S | * | * | trans | -36.9 | 113.2 | 173 | -72.6 | 170.6 | 176 | 173.5 | 0 | 110.3 | G76 S80 | G76-K78 PolarHBondContact O-N 3.26Å; K78-S80 PolarHBondContact O-N 3.43Å | ||
| 79 | S | 48.6 | Very low | 49.3 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 10.6 | -169.5 | 54.7 | 0 | 0 | 0 | 0 | 115.9 | V77 N81 M82 | V77-S79 PolarHBondContact O-N 3.46Å; S79-N81 PolarHBondContact O-N 3.35Å; S79-N81 VanDerWaalsContact O-N 3.13Å; S79-M82 PolarHBondContact O-N 3.16Å |
| 80 | S | 51.2 | Low | 49.8 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 59% | 0.587 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.7 | -24.9 | -170.8 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | K78 | K78-S80 PolarHBondContact O-N 3.43Å |
| 81 | N | 52.1 | Low | 50.1 | Low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -85.2 | -17.8 | -174.9 | -109.8 | -15.6 | 0 | 0 | 0 | 115.1 | S79 | S79-N81 PolarHBondContact O-N 3.35Å; S79-N81 VanDerWaalsContact O-N 3.13Å |
| 82 | M | 48.4 | Very low | 50.7 | Low | 146 Ų | 146 | 129.4 Ų | 129.4 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.8 | -33.2 | 176.5 | -94.6 | -177.9 | 37.2 | 0 | 0 | 112.9 | S79 L84 R85 | S79-M82 PolarHBondContact O-N 3.16Å; M82-L84 PolarHBondContact O-N 3.22Å; M82-R85 WeakPolarHBondContact O-CB 3.49Å; M82-R85 PolarHBondContact O-N 2.68Å; M82-R85 VanDerWaalsContact O-N 3.17Å |
| 83 | W | 52.5 | Low | 51.4 | Low | 192 Ų | 192 | 131.9 Ų | 131.9 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.3 | -25.3 | 177.3 | -66.1 | 94.7 | 0 | 0 | 0 | 112.6 | R85 W86 L87 | W83-R85 VanDerWaalsContact C-N 3.34Å; W83-W86 CarbonylContact O-C 3.43Å; W83-W86 PolarHBondContact O-N 3.22Å; W83-L87 PolarHBondContact O-N 3.17Å |
| 84 | L | 50.9 | Low | 52 | Low | 98 Ų | 98 | 135.9 Ų | 135.9 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.6 | -29.9 | 175.3 | -70.5 | 172.1 | 0 | 0 | 0 | 112.8 | M82 W86 L87 | M82-L84 PolarHBondContact O-N 3.22Å; L84-W86 PolarHBondContact O-N 3.33Å; L84-L87 HydrophobicContact CD2-CD1 3.37Å; L84-L87 HydrophobicContact CD2-CG 4.1Å; L84-L87 WeakPolarHBondContact O-CB 3.24Å; L84-L87 PolarHBondContact O-N 3.06Å |
| 85 | R | 55.7 | Low | 52.4 | Low | 235 Ų | 235 | 137.6 Ų | 137.6 | 89% | 0.887 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.6 | -22.3 | 173.6 | -129.5 | 176.6 | 174.9 | -173.8 | -1.8 | 112.3 | M82 W83 | M82-R85 WeakPolarHBondContact O-CB 3.49Å; M82-R85 PolarHBondContact O-N 2.68Å; M82-R85 VanDerWaalsContact O-N 3.17Å; W83-R85 VanDerWaalsContact C-N 3.34Å |
| 86 | W | 51.6 | Low | 53.1 | Low | 193 Ų | 193 | 134.5 Ų | 134.5 | 73% | 0.731 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 10.8 | 175.2 | -75.8 | 88.3 | 0 | 0 | 0 | 113.5 | W83 L84 Q88 | W83-W86 CarbonylContact O-C 3.43Å; W83-W86 PolarHBondContact O-N 3.22Å; L84-W86 PolarHBondContact O-N 3.33Å; W86-Q88 WeakPolarHBondContact O-CA 3.42Å; W86-Q88 VanDerWaalsContact O-CG 3.24Å; W86-Q88 WeakPolarHBondContact O-CG 2.96Å; W86-Q88 PolarHBondContact O-N 2.89Å |
| 87 | L | 50.2 | Low | 53.8 | Low | 87 Ų | 87 | 133.8 Ų | 133.8 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | trans | -59.7 | 96.1 | 167.4 | -85.8 | 173.7 | 0 | 0 | 0 | 107.9 | W83 L84 K91 | W83-L87 PolarHBondContact O-N 3.17Å; L84-L87 HydrophobicContact CD2-CD1 3.37Å; L84-L87 HydrophobicContact CD2-CG 4.1Å; L84-L87 WeakPolarHBondContact O-CB 3.24Å; L84-L87 PolarHBondContact O-N 3.06Å; L87-K91 HydrophobicContact CD2-CD 3.63Å | ||
| 88 | Q | 57.6 | Low | 54.6 | Low | 100 Ų | 100 | 136 Ų | 136 | 47% | 0.467 | 62% | 0.616 | S | S | . | * | trans | -55.6 | 149 | -162.9 | -66.2 | -156 | -33.5 | 0 | 0 | 111.3 | W86 W90 K91 W92 | W86-Q88 WeakPolarHBondContact O-CA 3.42Å; W86-Q88 VanDerWaalsContact O-CG 3.24Å; W86-Q88 WeakPolarHBondContact O-CG 2.96Å; W86-Q88 PolarHBondContact O-N 2.89Å; Q88-W90 HydrophobicContact CB-CG 4.25Å; Q88-W90 VanDerWaalsContact CB-NE1 3.33Å; Q88-W90 PolarHBondContact O-N 2.99Å; Q88-K91 PolarHBondContact O-N 3.04Å; Q88-W92 PolarHBondContact O-N 3.36Å | ||
| 89 | P | 61.9 | Low | 55 | Low | 96 Ų | 96 | 134.3 Ų | 134.3 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -48.7 | -28.7 | -178.6 | -29.6 | 34.3 | 0 | 0 | 0 | 114.1 | W92 R93 | P89-W92 PolarHBondContact O-N 3.39Å; P89-R93 WeakPolarHBondContact O-CG 3.43Å; P89-R93 PolarHBondContact O-N 3.37Å |
| 90 | W | 62.4 | Low | 55.1 | Low | 105 Ų | 105 | 134.9 Ų | 134.9 | 40% | 0.398 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.8 | -37.4 | 175.8 | 74.4 | -95 | 0 | 0 | 0 | 113.9 | Q88 W92 R93 R94 | Q88-W90 HydrophobicContact CB-CG 4.25Å; Q88-W90 VanDerWaalsContact CB-NE1 3.33Å; Q88-W90 PolarHBondContact O-N 2.99Å; W90-W92 VanDerWaalsContact C-N 3.32Å; W90-R93 PolarHBondContact O-N 3.42Å; W90-R94 PolarHBondContact O-N 3.48Å |
| 91 | K | 56.3 | Low | 55.1 | Low | 102 Ų | 102 | 141.5 Ų | 141.5 | 44% | 0.443 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.7 | -37.3 | 173.3 | -73.4 | -168.5 | 176.6 | 179.5 | 0 | 110.4 | L87 Q88 R94 W95 | L87-K91 HydrophobicContact CD2-CD 3.63Å; Q88-K91 PolarHBondContact O-N 3.04Å; K91-R94 PolarHBondContact O-N 3.26Å; K91-W95 WeakPolarHBondContact O-CB 3.24Å; K91-W95 PolarHBondContact O-N 3.42Å |
| 92 | W | 58.1 | Low | 54.8 | Low | 169 Ų | 169 | 143.5 Ų | 143.5 | 64% | 0.64 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -41.1 | 174.5 | -160.6 | 50.5 | 0 | 0 | 0 | 111.9 | Q88 P89 W90 W95 K96 | Q88-W92 PolarHBondContact O-N 3.36Å; P89-W92 PolarHBondContact O-N 3.39Å; W90-W92 VanDerWaalsContact C-N 3.32Å; W92-W95 PolarHBondContact O-N 3.4Å; W92-K96 PolarHBondContact O-N 2.8Å |
| 93 | R | 59.3 | Low | 54.4 | Low | 188 Ų | 188 | 141.7 Ų | 141.7 | 71% | 0.709 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.9 | -47.9 | 171.2 | -79.3 | -167.1 | -83.9 | 167.7 | -7.3 | 112.5 | P89 W90 W95 K96 A97 | P89-R93 WeakPolarHBondContact O-CG 3.43Å; P89-R93 PolarHBondContact O-N 3.37Å; W90-R93 PolarHBondContact O-N 3.42Å; R93-W95 VanDerWaalsContact C-N 3.32Å; R93-W95 PolarHBondContact O-N 2.83Å; R93-K96 PolarHBondContact O-N 2.86Å; R93-A97 PolarHBondContact O-N 3.25Å |
| 94 | R | 57.7 | Low | 53.6 | Low | 183 Ų | 183 | 137.6 Ų | 137.6 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.2 | -39.2 | 175.2 | -86.3 | -170.9 | -178 | 178 | 2.9 | 112.5 | W90 K91 A97 K98 | W90-R94 PolarHBondContact O-N 3.48Å; K91-R94 PolarHBondContact O-N 3.26Å; R94-A97 PolarHBondContact O-N 3.44Å; R94-K98 PolarHBondContact O-N 3.45Å; R94-K98 VanDerWaalsContact O-N 3.07Å |
| 95 | W | 55.1 | Low | 53 | Low | 127 Ų | 127 | 139.2 Ų | 139.2 | 48% | 0.481 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.8 | -43.5 | 179.6 | -173.5 | 83 | 0 | 0 | 0 | 112.3 | K91 W92 R93 K98 R99 | K91-W95 WeakPolarHBondContact O-CB 3.24Å; K91-W95 PolarHBondContact O-N 3.42Å; W92-W95 PolarHBondContact O-N 3.4Å; R93-W95 VanDerWaalsContact C-N 3.32Å; R93-W95 PolarHBondContact O-N 2.83Å; W95-K98 PolarHBondContact O-N 3.45Å; W95-R99 VanDerWaalsContact CZ2-CZ 3.45Å; W95-R99 PolarHBondContact O-N 3.27Å |
| 96 | K | 57.2 | Low | 52 | Low | 116 Ų | 116 | 135.3 Ų | 135.3 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -58.1 | -47.4 | 172.8 | -86.8 | -86.7 | -170.5 | 169.2 | 0 | 111.5 | W92 R93 K98 R99 C100 | W92-K96 PolarHBondContact O-N 2.8Å; R93-K96 PolarHBondContact O-N 2.86Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 2.93Å; K96-R99 PolarHBondContact O-N 2.95Å; K96-R99 VanDerWaalsContact O-N 3.16Å; K96-C100 PolarHBondContact O-N 2.92Å; K96-C100 VanDerWaalsContact O-N 3.1Å; K96-C100 PolarHBondContact O-SG 3.27Å; K96-C100 VanDerWaalsContact O-SG 3.38Å |
| 97 | A | 56.9 | Low | 50.9 | Low | 65 Ų | 65 | 130 Ų | 130 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -59.8 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R93 R94 C100 | R93-A97 PolarHBondContact O-N 3.25Å; R94-A97 PolarHBondContact O-N 3.44Å; A97-C100 PolarHBondContact O-N 3.33Å |
| 98 | K | 56.5 | Low | 49.8 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.1 | -32 | 177.6 | -163.1 | 172.1 | -175.9 | 175.7 | 0 | 112.7 | R94 W95 K96 | R94-K98 PolarHBondContact O-N 3.45Å; R94-K98 VanDerWaalsContact O-N 3.07Å; W95-K98 PolarHBondContact O-N 3.45Å; K96-K98 VanDerWaalsContact C-N 3.31Å; K96-K98 PolarHBondContact O-N 2.93Å |
| 99 | R | 54.3 | Low | 48.6 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 59% | 0.592 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -72.1 | -38.1 | 174.9 | -109.9 | -175.4 | -175.5 | -177.2 | 4.1 | 112.5 | W95 K96 R101 K102 | W95-R99 VanDerWaalsContact CZ2-CZ 3.45Å; W95-R99 PolarHBondContact O-N 3.27Å; K96-R99 PolarHBondContact O-N 2.95Å; K96-R99 VanDerWaalsContact O-N 3.16Å; R99-R101 VanDerWaalsContact C-N 3.25Å; R99-R101 PolarHBondContact O-N 3.04Å; R99-K102 PolarHBondContact O-N 3.29Å; R99-K102 VanDerWaalsContact O-N 3.1Å |
| 100 | C | 52.3 | Low | 47.2 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 64% | 0.635 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -62.1 | -30 | 179.9 | -65.7 | 0 | 0 | 0 | 0 | 113.3 | K96 A97 K102 | K96-C100 PolarHBondContact O-N 2.92Å; K96-C100 VanDerWaalsContact O-N 3.1Å; K96-C100 PolarHBondContact O-SG 3.27Å; K96-C100 VanDerWaalsContact O-SG 3.38Å; A97-C100 PolarHBondContact O-N 3.33Å; C100-K102 VanDerWaalsContact C-N 3.26Å; C100-K102 PolarHBondContact O-N 3.13Å |
| 101 | R | 50 | Low | 45.8 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -68.3 | -18.4 | 176.2 | -87.8 | -171.3 | 177.9 | -179.8 | 0.2 | 114.6 | R99 | R99-R101 VanDerWaalsContact C-N 3.25Å; R99-R101 PolarHBondContact O-N 3.04Å |
| 102 | K | 46.7 | Very low | 44.7 | Very low | 173 Ų | 173 | 142 Ų | 142 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -84.7 | -6.4 | -177.6 | -74.1 | -174.3 | 174.4 | -170.7 | 0 | 114.5 | R99 C100 | R99-K102 PolarHBondContact O-N 3.29Å; R99-K102 VanDerWaalsContact O-N 3.1Å; C100-K102 VanDerWaalsContact C-N 3.26Å; C100-K102 PolarHBondContact O-N 3.13Å |
| 103 | C | 39.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -95.8 | 7.5 | -179.4 | -65 | 0 | 0 | 0 | 0 | 114.3 | ||
| 104 | S | 36.5 | Very low | 42 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -96.7 | 17 | -173.8 | -165.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 105 | V | 37.7 | Very low | 40.7 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -104.3 | -10.1 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 106 | N | 34.2 | Very low | 39.4 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -100.7 | 116 | 176 | -71.6 | -6.3 | 0 | 0 | 0 | 109.7 | ||
| 107 | G | 29 | Very low | 38.5 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -58.8 | 163.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 108 | G | 27.6 | Very low | 37.5 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 128.3 | 94.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K110 | G108-K110 VanDerWaalsContact C-N 3.34Å; G108-K110 PolarHBondContact O-N 2.93Å | ||
| 109 | A | 32 | Very low | 36.4 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | trans | -42 | 85.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 110 | K | 33 | Very low | 35.5 | Very low | 201 Ų | 201 | 145.6 Ų | 145.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -110.6 | 103.7 | 149.3 | -73.3 | -172.7 | 178.8 | -179.3 | 0 | 105.6 | G108 | G108-K110 VanDerWaalsContact C-N 3.34Å; G108-K110 PolarHBondContact O-N 2.93Å | ||
| 111 | R | 31.4 | Very low | 34.9 | Very low | 235 Ų | 235 | 147.2 Ų | 147.2 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -32.2 | 126.2 | 174.3 | -69.8 | 176.8 | 175.1 | -178.5 | -2.4 | 108.3 | M113 | R111-M113 VanDerWaalsContact C-N 3.35Å; R111-M113 PolarHBondContact O-N 3.16Å | ||
| 112 | P | 34.9 | Very low | 34.4 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -54 | 110.1 | 174.9 | 22.9 | -31.1 | 0 | 0 | 0 | 105.5 | L114 | P112-L114 PolarHBondContact O-N 3.1Š| ||
| 113 | M | 30.2 | Very low | 33.9 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -52.2 | 104.2 | 159.7 | -117.4 | -177.1 | -179.2 | 0 | 0 | 102.1 | R111 W115 | R111-M113 VanDerWaalsContact C-N 3.35Å; R111-M113 PolarHBondContact O-N 3.16Å; M113-W115 PolarHBondContact O-N 3.38Å | ||
| 114 | L | 29.9 | Very low | 33.6 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -62.6 | 89.1 | 171.4 | -176.2 | 75.7 | 0 | 0 | 0 | 102.8 | P112 R116 | P112-L114 PolarHBondContact O-N 3.1Å; L114-R116 HydrophobicContact CD2-CG 4.41Å; L114-R116 PolarHBondContact O-N 3.35Å | ||
| 115 | W | 29.3 | Very low | 33.5 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | -63.5 | 81.9 | 171.4 | -81.8 | 83.5 | 0 | 0 | 0 | 104.7 | M113 S117 | M113-W115 PolarHBondContact O-N 3.38Å; W115-S117 PolarHBondContact O-N 3.43Å; W115-S117 PolarHBondContact O-OG 2.93Å | ||
| 116 | R | 28.7 | Very low | 33.3 | Very low | 198 Ų | 198 | 139 Ų | 139 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | trans | -57.3 | 95.7 | 163.5 | -91.1 | -171.4 | 174.5 | 177.8 | -1.5 | 104.8 | L114 D118 | L114-R116 HydrophobicContact CD2-CG 4.41Å; L114-R116 PolarHBondContact O-N 3.35Å; R116-D118 PolarHBondContact O-N 3.27Å | ||
| 117 | S | 38.6 | Very low | 33.5 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -71.2 | 16.6 | 173.7 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | W115 K119 | W115-S117 PolarHBondContact O-N 3.43Å; W115-S117 PolarHBondContact O-OG 2.93Å; S117-K119 VanDerWaalsContact C-N 3.34Å |
| 118 | D | 35.3 | Very low | 33.6 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -88.6 | 1.9 | -174.6 | -57.9 | -31.2 | 0 | 0 | 0 | 113.3 | R116 | R116-D118 PolarHBondContact O-N 3.27Š|
| 119 | K | 32.8 | Very low | 33.9 | Very low | 181 Ų | 181 | 137 Ų | 137 | 79% | 0.787 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -130.6 | 31.7 | 177.8 | -86.8 | -169.1 | 178.2 | -176.7 | 0 | 114.8 | S117 Q121 | S117-K119 VanDerWaalsContact C-N 3.34Å; K119-Q121 PolarHBondContact O-N 3.07Å |
| 120 | L | 36.8 | Very low | 34.5 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | trans | -73.3 | 79.1 | 157.2 | -74.3 | 170.7 | 0 | 0 | 0 | 108.3 | L122 | L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.3Å | ||
| 121 | Q | 39.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 138 Ų | 138 | 59% | 0.593 | 69% | 0.693 | S | S | * | * | trans | -74.8 | 93.5 | 165.8 | -67.6 | -161.1 | 0 | 0 | 0 | 107.4 | K119 F123 | K119-Q121 PolarHBondContact O-N 3.07Å; Q121-F123 VanDerWaalsContact C-N 3.27Å; Q121-F123 HydrophobicContact CB-CD2 3.88Å; Q121-F123 HydrophobicContact CB-CE2 3.51Å; Q121-F123 HydrophobicContact CB-CZ 4.22Å; Q121-F123 HydrophobicContact CG-CE2 4.42Å; Q121-F123 WeakPolarHBondContact O-CD2 3.45Å; Q121-F123 PolarHBondContact O-N 3.42Å | ||
| 122 | L | 38.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 130 Ų | 130 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | trans | -66.6 | 92.4 | 163.7 | -79 | 158.6 | 0 | 0 | 0 | 107.1 | L120 F124 I139 | L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.3Å; L122-F124 HydrophobicContact CB-CD2 4.35Å; L122-F124 HydrophobicContact CB-CE2 4.03Å; L122-F124 PolarHBondContact O-N 2.86Å; L122-F124 VanDerWaalsContact O-N 3.1Å; L122-I139 HydrophobicContact CD2-CG2 4.16Å | ||
| 123 | F | 36.2 | Very low | 35 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 58% | 0.575 | 67% | 0.674 | S | S | * | * | trans | -73.6 | 99.2 | 169 | -76.2 | -85 | 0 | 0 | 0 | 108.3 | Q121 S125 | Q121-F123 VanDerWaalsContact C-N 3.27Å; Q121-F123 HydrophobicContact CB-CD2 3.88Å; Q121-F123 HydrophobicContact CB-CE2 3.51Å; Q121-F123 HydrophobicContact CB-CZ 4.22Å; Q121-F123 HydrophobicContact CG-CE2 4.42Å; Q121-F123 WeakPolarHBondContact O-CD2 3.45Å; Q121-F123 PolarHBondContact O-N 3.42Å; F123-S125 PolarHBondContact O-N 3.34Å | ||
| 124 | F | 33.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | trans | -77.5 | 99.8 | 158.2 | -70.8 | -88.8 | 0 | 0 | 0 | 106.2 | L122 P126 | L122-F124 HydrophobicContact CB-CD2 4.35Å; L122-F124 HydrophobicContact CB-CE2 4.03Å; L122-F124 PolarHBondContact O-N 2.86Å; L122-F124 VanDerWaalsContact O-N 3.1Å; F124-P126 WeakPolarHBondContact O-CD 3.44Å | ||
| 125 | S | 33.5 | Very low | 35.3 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | trans | -85.5 | 100.4 | 163.4 | -67.3 | 0 | 0 | 0 | 0 | 107.5 | F123 A127 | F123-S125 PolarHBondContact O-N 3.34Å; S125-A127 PolarHBondContact O-N 3.06Å | ||
| 126 | P | 35 | Very low | 35.8 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 68% | 0.679 | S | S | * | * | trans | -67.1 | 103.1 | 164.7 | 28 | -32.1 | 0 | 0 | 0 | 107.1 | F124 L128 | F124-P126 WeakPolarHBondContact O-CD 3.44Å; P126-L128 PolarHBondContact O-N 2.94Å | ||
| 127 | A | 37.5 | Very low | 36.1 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | trans | -66.6 | 105.5 | 165 | 0 | 0 | 0 | 0 | 0 | 106.7 | S125 A129 | S125-A127 PolarHBondContact O-N 3.06Å; A127-A129 VanDerWaalsContact C-N 3.29Å; A127-A129 PolarHBondContact O-N 3.38Å | ||
| 128 | L | 31 | Very low | 36.2 | Very low | 163 Ų | 163 | 129 Ų | 129 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | trans | -73.4 | 87.4 | 178.4 | -149.8 | 145 | 0 | 0 | 0 | 106.8 | P126 E130 | P126-L128 PolarHBondContact O-N 2.94Å; L128-E130 PolarHBondContact O-N 3.12Å | ||
| 129 | A | 33.7 | Very low | 36.3 | Very low | 34 Ų | 34 | 127.8 Ų | 127.8 | 28% | 0.281 | 66% | 0.658 | S | S | . | * | trans | -71.1 | 127 | 170 | 0 | 0 | 0 | 0 | 0 | 107.7 | A127 N131 G132 Y135 | A127-A129 VanDerWaalsContact C-N 3.29Å; A127-A129 PolarHBondContact O-N 3.38Å; A129-N131 PolarHBondContact O-N 3.07Å; A129-G132 PolarHBondContact O-N 2.8Å; A129-Y135 HydrophobicContact CB-CD2 3.88Å; A129-Y135 HydrophobicContact CB-CE2 3.87Å | ||
| 130 | E | 45.1 | Very low | 36.4 | Very low | 191 Ų | 191 | 125.9 Ų | 125.9 | 89% | 0.893 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -12.3 | -173.3 | -70 | -177.8 | 148.3 | 0 | 0 | 114.8 | L128 | L128-E130 PolarHBondContact O-N 3.12Š|
| 131 | N | 39.3 | Very low | 36.3 | Very low | 141 Ų | 141 | 123 Ų | 123 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 21.8 | -178.3 | -62 | -36 | 0 | 0 | 0 | 114.3 | A129 Q133 | A129-N131 PolarHBondContact O-N 3.07Å; N131-Q133 PolarHBondContact O-N 3.45Å |
| 132 | G | 37.3 | Very low | 36.1 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 65.3 | 10.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A129 | A129-G132 PolarHBondContact O-N 2.8Š|
| 133 | Q | 33.5 | Very low | 36 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | trans | -94.2 | 110.2 | 178.4 | -67.5 | -173.8 | 7.3 | 0 | 0 | 109.7 | N131 Y135 | N131-Q133 PolarHBondContact O-N 3.45Å; Q133-Y135 PolarHBondContact O-N 3.02Å | ||
| 134 | F | 32.2 | Very low | 36 | Very low | 191 Ų | 191 | 122.1 Ų | 122.1 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | trans | -65.9 | 99.4 | 170.4 | -77 | -91.2 | 0 | 0 | 0 | 109.7 | R136 | F134-R136 PolarHBondContact O-N 3.31Š| ||
| 135 | Y | 34.6 | Very low | 35.9 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | trans | -64.7 | 122.5 | 161.5 | -75.8 | -89.2 | 0 | 0 | 0 | 107.5 | A129 Q133 G137 | A129-Y135 HydrophobicContact CB-CD2 3.88Å; A129-Y135 HydrophobicContact CB-CE2 3.87Å; Q133-Y135 PolarHBondContact O-N 3.02Å; Y135-G137 VanDerWaalsContact C-N 3.33Å; Y135-G137 PolarHBondContact O-N 3.25Å | ||
| 136 | R | 38.5 | Very low | 35.9 | Very low | 249 Ų | 249 | 118.1 Ų | 118.1 | 94% | 0.94 | 66% | 0.659 | S | S | * | * | trans | -53.2 | 100.9 | 171.1 | -82 | -176.1 | 171.4 | -177.3 | -2.3 | 107.4 | F134 N138 | F134-R136 PolarHBondContact O-N 3.31Å; R136-N138 PolarHBondContact O-N 3.1Å | ||
| 137 | G | 36.4 | Very low | 35.9 | Very low | 37 Ų | 37 | 122.6 Ų | 122.6 | 38% | 0.381 | 67% | 0.671 | S | S | . | * | trans | -53.3 | 136.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y135 I139 | Y135-G137 VanDerWaalsContact C-N 3.33Å; Y135-G137 PolarHBondContact O-N 3.25Å; G137-I139 PolarHBondContact O-N 3.46Å; G137-I139 VanDerWaalsContact O-N 3.15Å | ||
| 138 | N | 39.2 | Very low | 35.8 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | trans | -56.1 | 118.2 | 170.3 | -73.7 | -18.4 | 0 | 0 | 0 | 108.4 | R136 F140 | R136-N138 PolarHBondContact O-N 3.1Å; N138-F140 HydrophobicContact CB-CD2 3.86Å; N138-F140 HydrophobicContact CB-CE2 3.42Å; N138-F140 VanDerWaalsContact CB-CE2 3.42Å; N138-F140 HydrophobicContact CB-CZ 4.09Å; N138-F140 WeakPolarHBondContact O-CD2 3.45Å; N138-F140 PolarHBondContact O-N 3.48Å | ||
| 139 | I | 38.1 | Very low | 36.1 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 57% | 0.574 | 67% | 0.672 | S | S | * | * | trans | -75.6 | 97.9 | 173.6 | -60.7 | 174.1 | 0 | 0 | 0 | 106.8 | L122 G137 C141 | L122-I139 HydrophobicContact CD2-CG2 4.16Å; G137-I139 PolarHBondContact O-N 3.46Å; G137-I139 VanDerWaalsContact O-N 3.15Å; I139-C141 PolarHBondContact O-N 3.07Å | ||
| 140 | F | 35.4 | Very low | 36.3 | Very low | 141 Ų | 141 | 132 Ų | 132 | 62% | 0.618 | 69% | 0.694 | S | S | * | * | trans | -83.4 | 102.2 | 171.6 | -74.8 | -83 | 0 | 0 | 0 | 109.3 | N138 I142 | N138-F140 HydrophobicContact CB-CD2 3.86Å; N138-F140 HydrophobicContact CB-CE2 3.42Å; N138-F140 VanDerWaalsContact CB-CE2 3.42Å; N138-F140 HydrophobicContact CB-CZ 4.09Å; N138-F140 WeakPolarHBondContact O-CD2 3.45Å; N138-F140 PolarHBondContact O-N 3.48Å; F140-I142 PolarHBondContact O-N 2.99Å | ||
| 141 | C | 35.1 | Very low | 35.9 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 52% | 0.52 | 69% | 0.692 | S | S | . | * | trans | -84.1 | 96.3 | 164.5 | -73.6 | 0 | 0 | 0 | 0 | 108.8 | I139 V143 | I139-C141 PolarHBondContact O-N 3.07Å; C141-V143 VanDerWaalsContact C-N 3.31Å; C141-V143 PolarHBondContact O-N 2.91Å | ||
| 142 | I | 34 | Very low | 35.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 77% | 0.774 | 69% | 0.694 | S | S | * | * | trans | -78.5 | 88.3 | 166.5 | -55.1 | 174.3 | 0 | 0 | 0 | 107 | F140 S144 | F140-I142 PolarHBondContact O-N 2.99Å; I142-S144 PolarHBondContact O-N 2.71Å | ||
| 143 | V | 36.8 | Very low | 35.7 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 42% | 0.424 | 70% | 0.702 | S | S | . | * | B | Isolated β-bridge | trans | -75.1 | 107.6 | 163.8 | -179.8 | 0 | 0 | 0 | 0 | 105.7 | C141 G145 C146 | C141-V143 VanDerWaalsContact C-N 3.31Å; C141-V143 PolarHBondContact O-N 2.91Å; V143-G145 PolarHBondContact O-N 2.85Å; V143-C146 PolarHBondContact O-N 2.7Å |
| 144 | S | 35.6 | Very low | 35.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.6 | 109.2 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | I142 | I142-S144 PolarHBondContact O-N 2.71Š|
| 145 | G | 32.7 | Very low | 35.7 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.4 | -11.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | V143 | V143-G145 PolarHBondContact O-N 2.85Š|
| 146 | C | 33.4 | Very low | 35.6 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 51% | 0.514 | 71% | 0.712 | S | S | . | * | B | Isolated β-bridge | trans | -127 | 95.5 | 175.6 | -67 | 0 | 0 | 0 | 0 | 110 | V143 E148 | V143-C146 PolarHBondContact O-N 2.7Å; C146-E148 PolarHBondContact O-N 2.8Å |
| 147 | Q | 35.4 | Very low | 35.4 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -74.4 | 45 | 172.7 | -132.9 | -163.8 | 46.7 | 0 | 0 | 111.3 | I149 | Q147-I149 PolarHBondContact O-N 2.77Å; Q147-I149 VanDerWaalsContact O-N 3.16Å | ||
| 148 | E | 33.9 | Very low | 35.3 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | -80.9 | 100.3 | 175.3 | -77.7 | -171.9 | 157.9 | 0 | 0 | 109.1 | C146 F150 | C146-E148 PolarHBondContact O-N 2.8Å; E148-F150 HydrophobicContact CB-CE2 4.29Å; E148-F150 VanDerWaalsContact O-CD2 3.24Å; E148-F150 WeakPolarHBondContact O-CD2 3.34Å; E148-F150 PolarHBondContact O-N 2.91Å | ||
| 149 | I | 37.4 | Very low | 35.3 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | trans | -60.2 | 102.8 | 171.7 | -60.5 | 168.2 | 0 | 0 | 0 | 107.8 | Q147 K151 | Q147-I149 PolarHBondContact O-N 2.77Å; Q147-I149 VanDerWaalsContact O-N 3.16Å; I149-K151 PolarHBondContact O-N 2.78Å | ||
| 150 | F | 37.8 | Very low | 35.1 | Very low | 168 Ų | 168 | 131.4 Ų | 131.4 | 74% | 0.737 | 74% | 0.739 | S | S | * | * | trans | -72.5 | 123 | 177 | -87 | -89.8 | 0 | 0 | 0 | 110.3 | E148 | E148-F150 HydrophobicContact CB-CE2 4.29Å; E148-F150 VanDerWaalsContact O-CD2 3.24Å; E148-F150 WeakPolarHBondContact O-CD2 3.34Å; E148-F150 PolarHBondContact O-N 2.91Å | ||
| 151 | K | 37.8 | Very low | 35 | Very low | 196 Ų | 196 | 133 Ų | 133 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | trans | -38.6 | 137.3 | -175.1 | -76.2 | 176 | 171.3 | 178.5 | 0 | 114.9 | I149 I153 | I149-K151 PolarHBondContact O-N 2.78Å; K151-I153 PolarHBondContact O-N 2.75Å | ||
| 152 | R | 32.5 | Very low | 35.1 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | -42.9 | 129.2 | 163.2 | -83.5 | -179.3 | 176.7 | 178.5 | -1.7 | 110.2 | D154 | R152-D154 PolarHBondContact O-N 3.26Š| ||
| 153 | I | 38.8 | Very low | 35.2 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -78.2 | 81.6 | 158.8 | -58.8 | 176.1 | 0 | 0 | 0 | 105.2 | K151 G155 | K151-I153 PolarHBondContact O-N 2.75Å; I153-G155 PolarHBondContact O-N 3.2Å; I153-G155 VanDerWaalsContact O-N 3.13Å | ||
| 154 | D | 32.4 | Very low | 35.1 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 82% | 0.823 | S | S | * | * | trans | -66.6 | 108.4 | 168.7 | -73 | -47.1 | 0 | 0 | 0 | 107.5 | R152 | R152-D154 PolarHBondContact O-N 3.26Š| ||
| 155 | G | 34.6 | Very low | 35.1 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | trans | -148.9 | 65.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I153 | I153-G155 PolarHBondContact O-N 3.2Å; I153-G155 VanDerWaalsContact O-N 3.13Å | ||
| 156 | A | 31.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 74.5 | 77.3 | 163 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 157 | S | 34.7 | Very low | 35.3 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | trans | -136.3 | 77.6 | 144.2 | 72.5 | 0 | 0 | 0 | 0 | 109.6 | P159 | S157-P159 WeakPolarHBondContact O-CD 3.27Š| ||
| 158 | E | 33.7 | Very low | 35.3 | Very low | 198 Ų | 198 | 145.1 Ų | 145.1 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -78.6 | 110.3 | 148.6 | -77.4 | -176.1 | 154.2 | 0 | 0 | 106.4 | ||||
| 159 | P | 39.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 85% | 0.85 | S | S | * | * | -146.6 | 130.6 | 129 | 34.4 | -18 | 0 | 0 | 0 | 113.2 | S157 | S157-P159 WeakPolarHBondContact O-CD 3.27Š| |||
| 160 | A | 33.8 | Very low | 35.3 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 85% | 0.854 | S | S | * | * | trans | 158.6 | 97.7 | 149 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 161 | I | 33.4 | Very low | 35.1 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 89% | 0.892 | 86% | 0.864 | S | S | * | * | 51.9 | 107.8 | 73.3 | -49.2 | 174.9 | 0 | 0 | 0 | 110.7 | |||||
| 162 | G | 38.2 | Very low | 34.8 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 100% | 1.557 | 87% | 0.865 | S | S | * | * | trans | 151.1 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 162 of 162 residues in 253.7 ms
(Link to these results)