| 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 | 48.3 | Very low | 57.1 | Low | 208 Ų | 208 | 137 Ų | 137 | 100% | 1.025 | 69% | 0.692 | S | S | * | * | 0 | 31.4 | 0 | -69 | 168.4 | 173.5 | 0 | 0 | 113.3 | Y3 | M1-Y3 PolarHBondContact O-N 2.92Š| |||
| 2 | D | 43.5 | Very low | 57.4 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | 54.2 | 61.3 | 107.3 | -26.4 | -40.3 | 0 | 0 | 0 | 117.8 | S4 | D2-S4 PolarHBondContact O-N 3.3Å; D2-S4 VanDerWaalsContact O-N 3.08Å | |||
| 3 | Y | 49.8 | Very low | 58.5 | Low | 202 Ų | 202 | 125.8 Ų | 125.8 | 79% | 0.792 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -0.9 | 170.8 | -90.9 | -94.6 | 0 | 0 | 0 | 115.2 | M1 Y5 L6 | M1-Y3 PolarHBondContact O-N 2.92Å; Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.45Å; Y3-L6 HydrophobicContact CD1-CD1 4.47Å |
| 4 | S | 60.4 | Low | 58.8 | Low | 93 Ų | 93 | 120.4 Ų | 120.4 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.8 | -22.7 | -173.9 | 47.5 | 0 | 0 | 0 | 0 | 114.8 | D2 | D2-S4 PolarHBondContact O-N 3.3Å; D2-S4 VanDerWaalsContact O-N 3.08Å |
| 5 | Y | 57.2 | Low | 58.8 | Low | 184 Ų | 184 | 116.3 Ų | 116.3 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.7 | -39.3 | -177.3 | -167.4 | -102.2 | 0 | 0 | 0 | 113.2 | Y3 N7 S8 Y9 | Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.45Å; Y5-N7 PolarHBondContact O-N 2.96Å; Y5-S8 PolarHBondContact O-N 3.37Å; Y5-Y9 PolarHBondContact O-N 2.65Å |
| 6 | L | 60.3 | Low | 59.2 | Low | 120 Ų | 120 | 117.3 Ų | 117.3 | 63% | 0.628 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | -179.7 | -90.3 | 163.3 | 0 | 0 | 0 | 112.2 | Y3 S8 Y9 D10 | Y3-L6 HydrophobicContact CD1-CD1 4.47Å; L6-S8 VanDerWaalsContact C-N 3.27Å; L6-S8 PolarHBondContact O-N 3.13Å; L6-Y9 PolarHBondContact O-N 3.21Å; L6-Y9 VanDerWaalsContact O-N 3.12Å; L6-D10 PolarHBondContact O-N 3.2Å |
| 7 | N | 57.1 | Low | 59.1 | Low | 128 Ų | 128 | 117.8 Ų | 117.8 | 68% | 0.684 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.7 | -29.8 | -175.5 | -139.3 | 24.8 | 0 | 0 | 0 | 112.7 | Y5 S11 | Y5-N7 PolarHBondContact O-N 2.96Å; N7-S11 VanDerWaalsContact O-CB 3.31Å; N7-S11 WeakPolarHBondContact O-CB 3.47Å; N7-S11 PolarHBondContact O-N 3.43Å |
| 8 | S | 63.2 | Low | 59 | Low | 87 Ų | 87 | 115.4 Ų | 115.4 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73 | -36 | 174.9 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | Y5 L6 C12 | Y5-S8 PolarHBondContact O-N 3.37Å; L6-S8 VanDerWaalsContact C-N 3.27Å; L6-S8 PolarHBondContact O-N 3.13Å; S8-C12 VanDerWaalsContact O-CB 3.31Å; S8-C12 WeakPolarHBondContact O-CB 3.4Å; S8-C12 PolarHBondContact O-N 3.43Å; S8-C12 VanDerWaalsContact O-N 3.13Å |
| 9 | Y | 59.9 | Low | 58.8 | Low | 154 Ų | 154 | 114.9 Ų | 114.9 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.6 | -43.3 | 178 | -154.3 | -87.2 | 0 | 0 | 0 | 111.7 | Y5 L6 C12 V13 | Y5-Y9 PolarHBondContact O-N 2.65Å; L6-Y9 PolarHBondContact O-N 3.21Å; L6-Y9 VanDerWaalsContact O-N 3.12Å; Y9-C12 WeakPolarHBondContact O-CB 3.4Å; Y9-C12 PolarHBondContact O-N 3.47Å; Y9-V13 HydrophobicContact CD1-CG2 4.05Å; Y9-V13 HydrophobicContact CE1-CG2 3.98Å; Y9-V13 WeakPolarHBondContact O-CG2 3.2Å; Y9-V13 PolarHBondContact O-N 3.27Å |
| 10 | D | 61.9 | Low | 58.5 | Low | 117 Ų | 117 | 112.9 Ų | 112.9 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.9 | -46.4 | 177.5 | -159.2 | -98.1 | 0 | 0 | 0 | 111.4 | L6 C12 V13 A14 | L6-D10 PolarHBondContact O-N 3.2Å; D10-C12 VanDerWaalsContact C-N 3.32Å; D10-C12 PolarHBondContact O-N 3.23Å; D10-V13 PolarHBondContact O-N 3.36Å; D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 3.07Å |
| 11 | S | 66.1 | Low | 58 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 57% | 0.566 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.2 | -34.5 | 175.9 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | N7 A15 | N7-S11 VanDerWaalsContact O-CB 3.31Å; N7-S11 WeakPolarHBondContact O-CB 3.47Å; N7-S11 PolarHBondContact O-N 3.43Å; S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.45Å; S11-A15 VanDerWaalsContact O-N 3.11Å |
| 12 | C | 60.8 | Low | 58.3 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 45% | 0.446 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.6 | -46.5 | 173 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | S8 Y9 D10 A15 M16 | S8-C12 VanDerWaalsContact O-CB 3.31Å; S8-C12 WeakPolarHBondContact O-CB 3.4Å; S8-C12 PolarHBondContact O-N 3.43Å; S8-C12 VanDerWaalsContact O-N 3.13Å; Y9-C12 WeakPolarHBondContact O-CB 3.4Å; Y9-C12 PolarHBondContact O-N 3.47Å; D10-C12 VanDerWaalsContact C-N 3.32Å; D10-C12 PolarHBondContact O-N 3.23Å; C12-A15 PolarHBondContact O-N 2.88Å; C12-M16 PolarHBondContact O-N 2.96Å |
| 13 | V | 71.6 | Confident | 58.6 | Low | 62 Ų | 62 | 111.6 Ų | 111.6 | 38% | 0.376 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.1 | -45.7 | 177.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | Y9 D10 A15 M16 E17 | Y9-V13 HydrophobicContact CD1-CG2 4.05Å; Y9-V13 HydrophobicContact CE1-CG2 3.98Å; Y9-V13 WeakPolarHBondContact O-CG2 3.2Å; Y9-V13 PolarHBondContact O-N 3.27Å; D10-V13 PolarHBondContact O-N 3.36Å; V13-A15 VanDerWaalsContact C-N 3.31Å; V13-A15 PolarHBondContact O-N 3.06Å; V13-M16 PolarHBondContact O-N 2.97Å; V13-E17 HydrophobicContact CG1-CG 4.39Å; V13-E17 PolarHBondContact O-N 3.05Å |
| 14 | A | 63.5 | Low | 58.5 | Low | 50 Ų | 50 | 112.3 Ų | 112.3 | 41% | 0.413 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -59.1 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D10 E17 A18 | D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 3.07Å; A14-E17 PolarHBondContact O-N 3.42Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.21Å; A14-A18 PolarHBondContact O-N 3.37Å |
| 15 | A | 58.2 | Low | 57.6 | Low | 59 Ų | 59 | 111.2 Ų | 111.2 | 49% | 0.488 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.7 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S11 C12 V13 S19 | S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.45Å; S11-A15 VanDerWaalsContact O-N 3.11Å; C12-A15 PolarHBondContact O-N 2.88Å; V13-A15 VanDerWaalsContact C-N 3.31Å; V13-A15 PolarHBondContact O-N 3.06Å; A15-S19 PolarHBondContact O-N 2.72Å; A15-S19 PolarHBondContact O-OG 3.15Å |
| 16 | M | 66.4 | Low | 56.8 | Low | 133 Ų | 133 | 107.3 Ų | 107.3 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.4 | -40.3 | 174.8 | -68.9 | -168.3 | -177.8 | 0 | 0 | 112.4 | C12 V13 S19 A20 | C12-M16 PolarHBondContact O-N 2.96Å; V13-M16 PolarHBondContact O-N 2.97Å; M16-S19 WeakPolarHBondContact O-CB 3.33Å; M16-S19 PolarHBondContact O-N 2.77Å; M16-A20 PolarHBondContact O-N 2.95Å |
| 17 | E | 57.5 | Low | 55.7 | Low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71 | -37.9 | 177.7 | -69 | -160.4 | 127.7 | 0 | 0 | 112.7 | V13 A14 S19 A20 Y21 | V13-E17 HydrophobicContact CG1-CG 4.39Å; V13-E17 PolarHBondContact O-N 3.05Å; A14-E17 PolarHBondContact O-N 3.42Å; E17-S19 PolarHBondContact O-N 2.75Å; E17-A20 WeakPolarHBondContact O-CB 3.22Å; E17-A20 PolarHBondContact O-N 2.73Å; E17-Y21 PolarHBondContact O-N 3.08Å |
| 18 | A | 56.4 | Low | 55.6 | Low | 75 Ų | 75 | 107.1 Ų | 107.1 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -58.3 | -33.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A14 A20 | A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.21Å; A14-A18 PolarHBondContact O-N 3.37Å; A18-A20 VanDerWaalsContact C-N 3.28Å; A18-A20 PolarHBondContact O-N 2.6Å |
| 19 | S | 54.6 | Low | 55 | Low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -13.4 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | A15 M16 E17 | A15-S19 PolarHBondContact O-N 2.72Å; A15-S19 PolarHBondContact O-OG 3.15Å; M16-S19 WeakPolarHBondContact O-CB 3.33Å; M16-S19 PolarHBondContact O-N 2.77Å; E17-S19 PolarHBondContact O-N 2.75Å |
| 20 | A | 52.8 | Low | 54.7 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -12.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M16 E17 A18 | M16-A20 PolarHBondContact O-N 2.95Å; E17-A20 WeakPolarHBondContact O-CB 3.22Å; E17-A20 PolarHBondContact O-N 2.73Å; A18-A20 VanDerWaalsContact C-N 3.28Å; A18-A20 PolarHBondContact O-N 2.6Å |
| 21 | Y | 49 | Very low | 53.4 | Low | 206 Ų | 206 | 107.9 Ų | 107.9 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -120 | 7.8 | -177.9 | -84.7 | -82.4 | 0 | 0 | 0 | 114.5 | E17 | E17-Y21 PolarHBondContact O-N 3.08Š|
| 22 | G | 53.7 | Low | 52.7 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 62% | 0.619 | 70% | 0.695 | S | S | * | * | trans | -70 | 130.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 23 | D | 51.4 | Low | 51.5 | Low | 161 Ų | 161 | 114.5 Ų | 114.5 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 66 | 74.1 | 172.6 | -146 | -103.7 | 0 | 0 | 0 | 117.9 | ||
| 24 | F | 46.1 | Very low | 49.9 | Very low | 217 Ų | 217 | 121 Ų | 121 | 95% | 0.952 | 74% | 0.743 | S | S | * | * | trans | -148.5 | 88.9 | 143.1 | -150.6 | -91.8 | 0 | 0 | 0 | 114.1 | ||||
| 25 | G | 41.6 | Very low | 48.7 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | trans | 131.4 | 100.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 26 | A | 40.8 | Very low | 47.6 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -156.3 | 28 | 161 | 0 | 0 | 0 | 0 | 0 | 114.5 | S28 | A26-S28 PolarHBondContact O-N 3.38Å; A26-S28 VanDerWaalsContact O-N 3.09Å | ||
| 27 | C | 37.4 | Very low | 47.6 | Very low | 136 Ų | 136 | 130 Ų | 130 | 92% | 0.919 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 76.4 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 28 | S | 55.8 | Low | 46.5 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -143.3 | 96.7 | 175.2 | -168.6 | 0 | 0 | 0 | 0 | 113.7 | A26 | A26-S28 PolarHBondContact O-N 3.38Å; A26-S28 VanDerWaalsContact O-N 3.09Å | ||
| 29 | Q | 48.7 | Very low | 45.6 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -156.7 | 152.7 | 149.9 | -86 | -56.4 | -21 | 0 | 0 | 107.7 | ||||
| 30 | P | 54.3 | Low | 45.8 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -94.2 | 152.3 | -173.3 | 36.8 | -32.9 | 0 | 0 | 0 | 113.5 | ||||
| 31 | G | 35.3 | Very low | 44.8 | Very low | 68 Ų | 68 | 141.1 Ų | 141.1 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -164.5 | 87.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | G | 51.2 | Low | 44.4 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -78.2 | 136.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | F | 34.4 | Very low | 44.2 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -126.9 | 145.5 | 172.5 | -91.5 | -86.5 | 0 | 0 | 0 | 111.8 | ||||
| 34 | Q | 40 | Very low | 44 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -91.7 | 177.6 | -174.4 | -61.3 | -170.5 | 26.2 | 0 | 0 | 112.8 | ||||
| 35 | Y | 36.3 | Very low | 44 | Very low | 224 Ų | 224 | 135.6 Ų | 135.6 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -73.8 | 136.8 | -171.4 | -96 | -111.6 | 0 | 0 | 0 | 115.2 | ||||
| 36 | S | 35.8 | Very low | 44.2 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | 57.9 | 169.6 | 134.8 | -77.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 37 | P | 66 | Low | 44.8 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | cis | -131.5 | -169.6 | -38.2 | 33.5 | -14.9 | 0 | 0 | 0 | 112 | ||||
| 38 | L | 34.1 | Very low | 45.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | 130.6 | 151.1 | 148.4 | -66.5 | 173.2 | 0 | 0 | 0 | 115.7 | ||||
| 39 | R | 37.7 | Very low | 44.7 | Very low | 231 Ų | 231 | 136.6 Ų | 136.6 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -107.8 | -177.5 | -178.8 | -124.8 | -170.6 | 160.5 | -177 | -5.1 | 108.2 | ||||
| 40 | P | 58.5 | Low | 45 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | cis | -131.6 | 155.6 | -26.1 | 36.1 | -20.9 | 0 | 0 | 0 | 113.9 | ||||
| 41 | A | 33.5 | Very low | 44.6 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -158.1 | 136 | 153.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | F | 40.6 | Very low | 45 | Very low | 202 Ų | 202 | 138 Ų | 138 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | -119.9 | 141.9 | 159.9 | -82.1 | -80.9 | 0 | 0 | 0 | 106 | ||||
| 43 | P | 49 | Very low | 44.6 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | -141.9 | 179.4 | 74.5 | 32.1 | -12 | 0 | 0 | 0 | 113.1 | |||||
| 44 | A | 45.8 | Very low | 45.1 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | cis | -169.2 | -176.7 | -26.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 45 | A | 47.6 | Very low | 45.1 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | 77.3 | 103.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 46 | G | 45.4 | Very low | 45.5 | Very low | 66 Ų | 66 | 126.7 Ų | 126.7 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | 151.7 | 121.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 47 | P | 53.3 | Low | 45.9 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73 | 132.5 | 176.5 | 29.2 | -32.9 | 0 | 0 | 0 | 110.7 | ||
| 48 | P | 45.6 | Very low | 45.3 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 131.9 | -175.6 | 30.4 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 49 | C | 44.5 | Very low | 46.1 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 125.2 | 163.2 | -64.9 | 0 | 0 | 0 | 0 | 109.2 | A51 | C49-A51 PolarHBondContact O-N 3.21Š|
| 50 | P | 55.1 | Low | 46.8 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.8 | 175.4 | 28.3 | -32.9 | 0 | 0 | 0 | 110.3 | ||
| 51 | A | 46.3 | Very low | 46.1 | Very low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | C49 G53 | C49-A51 PolarHBondContact O-N 3.21Å; A51-G53 PolarHBondContact O-N 2.79Å; A51-G53 VanDerWaalsContact O-N 3.1Å |
| 52 | L | 44.8 | Very low | 47 | Very low | 180 Ų | 180 | 123.4 Ų | 123.4 | 94% | 0.942 | 83% | 0.829 | S | S | * | * | trans | -74.7 | 99.3 | 176.4 | -71.2 | 171.3 | 0 | 0 | 0 | 110.5 | ||||
| 53 | G | 42.6 | Very low | 47.2 | Very low | 65 Ų | 65 | 124.7 Ų | 124.7 | 67% | 0.67 | 83% | 0.828 | S | S | * | * | trans | -68.2 | 165.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A51 S55 | A51-G53 PolarHBondContact O-N 2.79Å; A51-G53 VanDerWaalsContact O-N 3.1Å; G53-S55 PolarHBondContact O-N 3.31Å | ||
| 54 | S | 45 | Very low | 47 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -48.3 | 130.8 | -171.5 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | N56 | S54-N56 PolarHBondContact O-N 2.8Š| ||
| 55 | S | 40.6 | Very low | 47.3 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -75.5 | 78.6 | -173.6 | 43.9 | 0 | 0 | 0 | 0 | 113.9 | G53 C57 | G53-S55 PolarHBondContact O-N 3.31Å; S55-C57 PolarHBondContact O-N 3.05Å | ||
| 56 | N | 43.5 | Very low | 47 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -71.6 | 108.8 | 165.9 | -121.2 | 12.7 | 0 | 0 | 0 | 109.8 | S54 A58 | S54-N56 PolarHBondContact O-N 2.8Å; N56-A58 VanDerWaalsContact C-N 3.29Å; N56-A58 PolarHBondContact O-N 2.77Å | ||
| 57 | C | 45.1 | Very low | 47.4 | Very low | 129 Ų | 129 | 134 Ų | 134 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -78.9 | 67.8 | -173.1 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | S55 L59 | S55-C57 PolarHBondContact O-N 3.05Å; C57-L59 PolarHBondContact O-N 2.91Å | ||
| 58 | A | 52 | Low | 47.1 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -72.7 | 122.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N56 G60 | N56-A58 VanDerWaalsContact C-N 3.29Å; N56-A58 PolarHBondContact O-N 2.77Å; A58-G60 PolarHBondContact O-N 3.34Å | ||
| 59 | L | 52.5 | Low | 47.7 | Very low | 181 Ų | 181 | 130.6 Ų | 130.6 | 95% | 0.948 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 116 | 179.9 | -108.4 | 163.3 | 0 | 0 | 0 | 111.6 | C57 | C57-L59 PolarHBondContact O-N 2.91Š| ||
| 60 | G | 51.8 | Low | 47.9 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 63.4 | 62 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118 | A58 L62 | A58-G60 PolarHBondContact O-N 3.34Å; G60-L62 PolarHBondContact O-N 3.02Å | ||
| 61 | A | 42.8 | Very low | 47.6 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 121.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 62 | L | 53.7 | Low | 48.1 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -96.4 | 91.2 | -174.8 | -168.7 | 82.4 | 0 | 0 | 0 | 111.5 | G60 | G60-L62 PolarHBondContact O-N 3.02Š| ||
| 63 | R | 44.4 | Very low | 48.8 | Very low | 228 Ų | 228 | 126.3 Ų | 126.3 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -166.7 | 145.1 | 166 | -115.9 | 130.2 | 70.5 | 159.5 | 1.5 | 110.1 | ||||
| 64 | D | 43.8 | Very low | 49.6 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | -145.1 | 142.6 | -3.1 | -160.1 | -95.4 | 0 | 0 | 0 | 110.1 | Q66 | D64-Q66 PolarHBondContact O-N 2.82Š| ||
| 65 | H | 52.5 | Low | 49.7 | Very low | 186 Ų | 186 | 132 Ų | 132 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -95.3 | 93.2 | 178.1 | -92.2 | -75.1 | 0 | 0 | 0 | 110.4 | P67 | H65-P67 WeakPolarHBondContact O-CD 3.47Å; H65-P67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | Q | 41.9 | Very low | 50.4 | Low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -48.1 | 115.7 | 167.6 | -112.2 | -86 | -44.6 | 0 | 0 | 110.6 | D64 A68 | D64-Q66 PolarHBondContact O-N 2.82Å; Q66-A68 PolarHBondContact O-N 3.17Å; Q66-A68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | P | 53.3 | Low | 50.8 | Low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -79.1 | 95.2 | -180 | 30.6 | -32.6 | 0 | 0 | 0 | 109.8 | H65 P69 | H65-P67 WeakPolarHBondContact O-CD 3.47Å; H65-P67 VanDerWaalsContact O-N 3.16Å; P67-P69 WeakPolarHBondContact O-CD 3.43Å | ||
| 68 | A | 46.5 | Very low | 50.9 | Low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -59.7 | 115.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q66 | Q66-A68 PolarHBondContact O-N 3.17Å; Q66-A68 VanDerWaalsContact O-N 3.08Å | ||
| 69 | P | 59.2 | Low | 51 | Low | 84 Ų | 84 | 136.5 Ų | 136.5 | 55% | 0.545 | 74% | 0.742 | S | S | . | * | trans | -99.6 | 115 | -173.3 | 22 | -5.7 | 0 | 0 | 0 | 111 | P67 P220 | P67-P69 WeakPolarHBondContact O-CD 3.43Å; P69-P220 HydrophobicContact CB-CG 3.98Å; P69-P220 HydrophobicContact CG-CB 3.97Å; P69-P220 HydrophobicContact CG-CG 3.9Å; P69-P220 VanDerWaalsContact O-CB 3.27Å; P69-P220 WeakPolarHBondContact O-CB 3.35Å; P69-P220 WeakPolarHBondContact O-CG 3.33Å | ||
| 70 | Y | 48.4 | Very low | 51.1 | Low | 164 Ų | 164 | 135.3 Ų | 135.3 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | trans | -163.2 | 148.7 | 150.9 | -178.6 | -119.5 | 0 | 0 | 0 | 110.6 | ||||
| 71 | S | 48.3 | Very low | 51.1 | Low | 66 Ų | 66 | 137.5 Ų | 137.5 | 46% | 0.462 | 73% | 0.733 | S | S | . | * | trans | 56.1 | 84.5 | 169.4 | -148 | 0 | 0 | 0 | 0 | 117.5 | V73 | S71-V73 PolarHBondContact O-N 3.26Å; S71-V73 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 72 | A | 57.2 | Low | 51.7 | Low | 106 Ų | 106 | 137 Ų | 137 | 88% | 0.876 | 72% | 0.723 | S | S | * | * | trans | -68.3 | 84.3 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 73 | V | 59.9 | Low | 51.7 | Low | 100 Ų | 100 | 131.7 Ų | 131.7 | 61% | 0.606 | 71% | 0.71 | S | S | * | * | trans | -65.1 | 133.3 | 161.9 | -72.7 | 0 | 0 | 0 | 0 | 108.4 | S71 Y75 | S71-V73 PolarHBondContact O-N 3.26Å; S71-V73 WeakPolarHBondContact OG-CG1 3.38Å; V73-Y75 PolarHBondContact O-N 2.57Å | ||
| 74 | P | 58.7 | Low | 52.2 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 70% | 0.702 | S | S | * | * | trans | -77.3 | 68.9 | 179.7 | 32.4 | -35.6 | 0 | 0 | 0 | 109.9 | K76 | P74-K76 PolarHBondContact O-N 3.42Š| ||
| 75 | Y | 48.2 | Very low | 52.6 | Low | 184 Ų | 184 | 129.3 Ų | 129.3 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -64.4 | 126.9 | 176.1 | -157 | -110.2 | 0 | 0 | 0 | 108.9 | V73 F78 | V73-Y75 PolarHBondContact O-N 2.57Å; Y75-F78 AromaticContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CE2 4.21Å; Y75-F78 AromaticContact CE1-CD2 3.34Å; Y75-F78 HydrophobicContact CE1-CD2 3.34Å; Y75-F78 AromaticContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CG 4.41Å; Y75-F78 HydrophobicContact CE1-CZ 4.41Å; Y75-F78 AromaticContact CZ-CE2 3.63Å | ||
| 76 | K | 54.3 | Low | 52.9 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 74% | 0.739 | 70% | 0.699 | S | S | * | * | trans | -58.7 | 151.9 | -170.9 | -67.3 | -72.7 | -173.7 | 171.9 | 0 | 110.8 | P74 F78 | P74-K76 PolarHBondContact O-N 3.42Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.39Å | ||
| 77 | F | 52 | Low | 53.5 | Low | 193 Ų | 193 | 128 Ų | 128 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | trans | -33.9 | 100.6 | 160.4 | -178 | -93.7 | 0 | 0 | 0 | 112.3 | P79 | F77-P79 HydrophobicContact CD1-CG 4.34Å; F77-P79 HydrophobicContact CE1-CG 3.87Å; F77-P79 HydrophobicContact CZ-CG 4.47Å | ||
| 78 | F | 47 | Very low | 53.7 | Low | 144 Ų | 144 | 134.1 Ų | 134.1 | 63% | 0.632 | 71% | 0.708 | S | S | * | * | trans | -110.9 | 115.6 | 164.5 | -89.7 | -86.4 | 0 | 0 | 0 | 107.2 | Y75 K76 | Y75-F78 AromaticContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CE2 4.21Å; Y75-F78 AromaticContact CE1-CD2 3.34Å; Y75-F78 HydrophobicContact CE1-CD2 3.34Å; Y75-F78 AromaticContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CG 4.41Å; Y75-F78 HydrophobicContact CE1-CZ 4.41Å; Y75-F78 AromaticContact CZ-CE2 3.63Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.39Å | ||
| 79 | P | 54.7 | Low | 54.5 | Low | 94 Ų | 94 | 139.1 Ų | 139.1 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | trans | -58.2 | 146.7 | 177.1 | -26.7 | 35.9 | 0 | 0 | 0 | 112.8 | F77 P81 | F77-P79 HydrophobicContact CD1-CG 4.34Å; F77-P79 HydrophobicContact CE1-CG 3.87Å; F77-P79 HydrophobicContact CZ-CG 4.47Å; P79-P81 WeakPolarHBondContact O-CD 3.4Å | ||
| 80 | E | 53.8 | Low | 55.3 | Low | 157 Ų | 157 | 143 Ų | 143 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -60 | 123.9 | 177.1 | -177.2 | -165.6 | 139.1 | 0 | 0 | 112.5 | S82 | E80-S82 VanDerWaalsContact OE1-CB 3.31Å; E80-S82 WeakPolarHBondContact OE1-CB 3.41Å; E80-S82 PolarHBondContact OE1-OG 2.93Å | ||
| 81 | P | 52.4 | Low | 56.9 | Low | 116 Ų | 116 | 145.7 Ų | 145.7 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -94.3 | 94.4 | 158.4 | 33.3 | -24.3 | 0 | 0 | 0 | 108.8 | P79 | P79-P81 WeakPolarHBondContact O-CD 3.4Š| ||
| 82 | S | 54.8 | Low | 58.6 | Low | 95 Ų | 95 | 154 Ų | 154 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -60.8 | 133.6 | -177.5 | -38.8 | 0 | 0 | 0 | 0 | 112.1 | E80 | E80-S82 VanDerWaalsContact OE1-CB 3.31Å; E80-S82 WeakPolarHBondContact OE1-CB 3.41Å; E80-S82 PolarHBondContact OE1-OG 2.93Å | ||
| 83 | G | 54.2 | Low | 60.1 | Low | 60 Ų | 60 | 155.6 Ų | 155.6 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | trans | 98.3 | 63.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 84 | L | 54.5 | Low | 61.7 | Low | 132 Ų | 132 | 161.3 Ų | 161.3 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -138.6 | 46.3 | 165.8 | -73.4 | 179.5 | 0 | 0 | 0 | 113.3 | ||||
| 85 | H | 53.1 | Low | 63.4 | Low | 178 Ų | 178 | 157.6 Ų | 157.6 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -91.8 | 0 | 177.9 | -89.6 | -69.6 | 0 | 0 | 0 | 114.4 | K87 | H85-K87 PolarHBondContact O-N 3.29Š| ||
| 86 | E | 57.3 | Low | 65.6 | Low | 147 Ų | 147 | 154.6 Ų | 154.6 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -0.1 | -177.7 | -72.6 | 54.9 | -125.8 | 0 | 0 | 113.8 | R88 | E86-R88 PolarHBondContact O-N 3.38Š|
| 87 | K | 54.4 | Low | 67.7 | Low | 176 Ų | 176 | 149.6 Ų | 149.6 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 4.1 | -178.2 | -65.4 | -179.2 | -178.3 | 173.4 | 0 | 114.4 | H85 K89 | H85-K87 PolarHBondContact O-N 3.29Å; K87-K89 PolarHBondContact O-N 3.09Å |
| 88 | R | 59.3 | Low | 69.9 | Low | 233 Ų | 233 | 144 Ų | 144 | 88% | 0.879 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -77.5 | 56 | 174.9 | -158.8 | -179 | -158.5 | 151.3 | 7 | 113 | E86 Q90 | E86-R88 PolarHBondContact O-N 3.38Å; R88-Q90 PolarHBondContact O-N 3.38Å |
| 89 | K | 63.2 | Low | 72.3 | Confident | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 69% | 0.69 | S | S | * | * | trans | 24.9 | 75.4 | 171.5 | -73.5 | -177.5 | 176.4 | 175.5 | 0 | 114.4 | K87 R91 | K87-K89 PolarHBondContact O-N 3.09Å; K89-R91 PolarHBondContact O-N 2.86Å; K89-R91 VanDerWaalsContact O-N 3.08Å | ||
| 90 | Q | 74.6 | Confident | 74.3 | Confident | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 118.2 | -179.7 | -177.9 | 63.2 | -9.4 | 0 | 0 | 111.1 | R88 R92 | R88-Q90 PolarHBondContact O-N 3.38Å; Q90-R92 PolarHBondContact O-N 3.4Å |
| 91 | R | 83.4 | Confident | 76.5 | Confident | 221 Ų | 221 | 133.8 Ų | 133.8 | 83% | 0.834 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 127 | -176.8 | -170.6 | 176.1 | -174.7 | -132.1 | 6.4 | 108.8 | K89 I93 | K89-R91 PolarHBondContact O-N 2.86Å; K89-R91 VanDerWaalsContact O-N 3.08Å; R91-I93 PolarHBondContact O-N 3.32Å |
| 92 | R | 84.3 | Confident | 78.7 | Confident | 241 Ų | 241 | 131 Ų | 131 | 91% | 0.909 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 128.3 | 179 | -71.4 | -167.2 | -176.3 | -149.6 | 5 | 110 | Q90 | Q90-R92 PolarHBondContact O-N 3.4Š|
| 93 | I | 88.7 | Confident | 80.7 | Confident | 139 Ų | 139 | 133.6 Ų | 133.6 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.4 | 179.8 | -55 | -56.5 | 0 | 0 | 0 | 109.7 | R91 | R91-I93 PolarHBondContact O-N 3.32Š|
| 94 | R | 93.1 | Very high | 82.8 | Confident | 221 Ų | 221 | 132.5 Ų | 132.5 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 124.4 | 179.5 | -178.6 | -179.1 | -179.5 | 179.9 | 2.1 | 109.6 | T96 | R94-T96 PolarHBondContact O-N 3.28Š|
| 95 | T | 93.1 | Very high | 84.9 | Confident | 45 Ų | 45 | 126.2 Ų | 126.2 | 28% | 0.276 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 129.1 | 170.1 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | F97 L129 R133 | T95-F97 HydrophobicContact CG2-CE1 4.38Å; T95-L129 HydrophobicContact CG2-CD2 3.96Å; T95-R133 WeakPolarHBondContact OG1-CD 3.25Å |
| 96 | T | 95.5 | Very high | 87.1 | Confident | 121 Ų | 121 | 121.7 Ų | 121.7 | 74% | 0.742 | 56% | 0.563 | S | S | * | * | trans | -106 | 124.6 | 169.3 | 47.4 | 0 | 0 | 0 | 0 | 108.8 | R94 | R94-T96 PolarHBondContact O-N 3.28Š| ||
| 97 | F | 97.4 | Very high | 89 | Confident | 65 Ų | 65 | 120 Ų | 120 | 29% | 0.285 | 55% | 0.55 | S | S | . | * | trans | -87.2 | 139.9 | -178.5 | -53.6 | -89 | 0 | 0 | 0 | 110.5 | T95 L102 L105 L129 W137 | T95-F97 HydrophobicContact CG2-CE1 4.38Å; F97-L102 HydrophobicContact CB-CD1 4.39Å; F97-L102 HydrophobicContact CB-CD2 3.76Å; F97-L102 HydrophobicContact CB-CG 3.81Å; F97-L102 HydrophobicContact CD2-CD2 4.49Å; F97-L102 HydrophobicContact CG-CD2 4.18Å; F97-L105 HydrophobicContact CD1-CD1 4.17Å; F97-L105 HydrophobicContact CE1-CD1 4.41Å; F97-L129 HydrophobicContact CD1-CD1 3.73Å; F97-L129 HydrophobicContact CE1-CD1 3.68Å; F97-W137 HydrophobicContact CE1-CB 4.46Å; F97-W137 AromaticContact CE2-CD1 3.81Å; F97-W137 HydrophobicContact CZ-CB 4.16Å; F97-W137 AromaticContact CZ-CD1 3.77Å; F97-W137 HydrophobicContact CZ-CG 4.37Å | ||
| 98 | T | 98.4 | Very high | 91.1 | Very high | 75 Ų | 75 | 111.8 Ų | 111.8 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | trans | -76.3 | 163.4 | 171.8 | 77.7 | 0 | 0 | 0 | 0 | 111 | A100 Q101 L102 | T98-A100 VanDerWaalsContact C-N 3.27Å; T98-A100 PolarHBondContact O-N 3.04Å; T98-A100 PolarHBondContact OG1-N 3.38Å; T98-Q101 PolarHBondContact O-N 3.34Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.34Å; T98-Q101 PolarHBondContact OG1-N 3.4Å; T98-L102 WeakPolarHBondContact O-CG 3.41Å; T98-L102 PolarHBondContact O-N 2.87Å | ||
| 99 | S | 97.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 101 Ų | 101 | 58% | 0.58 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.8 | -37 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | L102 K103 | S99-L102 PolarHBondContact O-N 3.23Å; S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.25Å |
| 100 | A | 97.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 95.7 Ų | 95.7 | 59% | 0.587 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.7 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | T98 L102 K103 E104 | T98-A100 VanDerWaalsContact C-N 3.27Å; T98-A100 PolarHBondContact O-N 3.04Å; T98-A100 PolarHBondContact OG1-N 3.38Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 3.5Å; A100-K103 PolarHBondContact O-N 3.38Å; A100-E104 PolarHBondContact O-N 3.17Å |
| 101 | Q | 98.3 | Very high | 95.7 | Very high | 27 Ų | 27 | 93.9 Ų | 93.9 | 13% | 0.126 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 175.3 | -67 | 174.1 | -32.8 | 0 | 0 | 111.5 | T98 L105 I127 | T98-Q101 PolarHBondContact O-N 3.34Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.34Å; T98-Q101 PolarHBondContact OG1-N 3.4Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 WeakPolarHBondContact O-CD1 3.47Å; Q101-L105 VanDerWaalsContact O-CG 3.23Å; Q101-L105 WeakPolarHBondContact O-CG 3.34Å; Q101-L105 PolarHBondContact O-N 3.38Å; Q101-L105 VanDerWaalsContact O-N 3.12Å; Q101-I127 HydrophobicContact CG-CB 4.13Å; Q101-I127 PolarHBondContact NE2-O 2.97Å |
| 102 | L | 98.4 | Very high | 96.4 | Very high | 58 Ų | 58 | 86 Ų | 86 | 30% | 0.304 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 177.7 | -70.3 | 173.8 | 0 | 0 | 0 | 112.8 | F97 T98 S99 A100 L105 E106 W137 | F97-L102 HydrophobicContact CB-CD1 4.39Å; F97-L102 HydrophobicContact CB-CD2 3.76Å; F97-L102 HydrophobicContact CB-CG 3.81Å; F97-L102 HydrophobicContact CD2-CD2 4.49Å; F97-L102 HydrophobicContact CG-CD2 4.18Å; T98-L102 WeakPolarHBondContact O-CG 3.41Å; T98-L102 PolarHBondContact O-N 2.87Å; S99-L102 PolarHBondContact O-N 3.23Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 3.5Å; L102-L105 PolarHBondContact O-N 3.1Å; L102-E106 WeakPolarHBondContact O-CB 3.42Å; L102-E106 WeakPolarHBondContact O-CG 3.19Å; L102-E106 PolarHBondContact O-N 2.89Å; L102-W137 HydrophobicContact CD2-CZ2 4.41Å; L102-W137 VanDerWaalsContact CD2-NE1 3.27Å |
| 103 | K | 98.3 | Very high | 97 | Very high | 149 Ų | 149 | 77.7 Ų | 77.7 | 65% | 0.648 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.9 | -46.7 | 176.9 | -75.4 | 174 | 179.2 | -173.7 | 0 | 112.1 | S99 A100 E106 R107 | S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.25Å; A100-K103 PolarHBondContact O-N 3.38Å; K103-E106 PolarHBondContact O-N 3.1Å; K103-R107 WeakPolarHBondContact O-CB 3.44Å; K103-R107 PolarHBondContact O-N 3.43Å |
| 104 | E | 98.2 | Very high | 97.5 | Very high | 37 Ų | 37 | 78.5 Ų | 78.5 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.1 | -37.1 | -179.5 | -177.7 | 61 | -171.5 | 0 | 0 | 112.2 | A100 E106 R107 V108 L123 K126 I127 | A100-E104 PolarHBondContact O-N 3.17Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-R107 PolarHBondContact O-N 3.12Å; E104-R107 IonicContact OE1-CZ 3.18Å; E104-R107 IonicContact OE1-NE 3.65Å; E104-R107 PolarHBondContact OE1-NE 3.24Å; E104-R107 IonicContact OE1-NH2 2.6Å; E104-R107 PolarHBondContact OE1-NH2 3.45Å; E104-R107 IonicContact OE2-CZ 2.75Å; E104-R107 IonicContact OE2-NE 3.53Å; E104-R107 PolarHBondContact OE2-NE 2.74Å; E104-R107 IonicContact OE2-NH2 2.73Å; E104-V108 PolarHBondContact O-N 3.39Å; E104-L123 HydrophobicContact CG-CD2 3.71Å; E104-K126 HydrophobicContact CG-CD 4.18Å; E104-K126 WeakPolarHBondContact OE1-CD 3.31Å; E104-K126 IonicContact OE1-NZ 3.64Å; E104-I127 HydrophobicContact CB-CG2 3.98Å; E104-I127 HydrophobicContact CG-CG2 3.76Å |
| 105 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 171.8 | -72.7 | 167.4 | 0 | 0 | 0 | 112.5 | F97 Q101 L102 F109 I127 V134 W137 F138 | F97-L105 HydrophobicContact CD1-CD1 4.17Å; F97-L105 HydrophobicContact CE1-CD1 4.41Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 WeakPolarHBondContact O-CD1 3.47Å; Q101-L105 VanDerWaalsContact O-CG 3.23Å; Q101-L105 WeakPolarHBondContact O-CG 3.34Å; Q101-L105 PolarHBondContact O-N 3.38Å; Q101-L105 VanDerWaalsContact O-N 3.12Å; L102-L105 PolarHBondContact O-N 3.1Å; L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 PolarHBondContact O-N 3.19Å; L105-F109 VanDerWaalsContact O-N 3.1Å; L105-I127 HydrophobicContact CD1-CD1 4.03Å; L105-I127 HydrophobicContact CD2-CD1 3.71Å; L105-I127 HydrophobicContact CG-CD1 3.72Å; L105-V134 HydrophobicContact CD2-CG1 3.94Å; L105-V134 HydrophobicContact CD2-CG2 4.41Å; L105-W137 HydrophobicContact CB-CD2 4.08Å; L105-W137 HydrophobicContact CB-CE3 4.02Å; L105-W137 HydrophobicContact CB-CH2 3.77Å; L105-W137 HydrophobicContact CB-CZ2 3.81Å; L105-W137 HydrophobicContact CB-CZ3 3.87Å; L105-W137 HydrophobicContact CD1-CD2 3.96Å; L105-W137 HydrophobicContact CD1-CG 3.94Å; L105-W137 HydrophobicContact CD2-CD2 4.41Å; L105-W137 HydrophobicContact CD2-CE3 4.24Å; L105-W137 HydrophobicContact CG-CD2 4.39Å; L105-F138 HydrophobicContact CD2-CD2 4.42Å; L105-F138 HydrophobicContact CD2-CE2 3.81Å |
| 106 | E | 98.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 70.5 Ų | 70.5 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -78 | -29.1 | 177.1 | -71.8 | -175.2 | 158.7 | 0 | 0 | 112.9 | L102 K103 E104 F109 A110 W137 R141 | L102-E106 WeakPolarHBondContact O-CB 3.42Å; L102-E106 WeakPolarHBondContact O-CG 3.19Å; L102-E106 PolarHBondContact O-N 2.89Å; K103-E106 PolarHBondContact O-N 3.1Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E106-F109 PolarHBondContact O-N 2.91Å; E106-A110 PolarHBondContact O-N 2.89Å; E106-A110 VanDerWaalsContact O-N 3.1Å; E106-W137 HydrophobicContact CG-CH2 3.58Å; E106-W137 HydrophobicContact CG-CZ2 3.66Å; E106-R141 IonicContact OE1-CZ 3.46Å; E106-R141 IonicContact OE1-NE 2.72Å; E106-R141 IonicContact OE1-NH1 3.69Å; E106-R141 PolarHBondContact OE1-NH1 3.04Å |
| 107 | R | 98.3 | Very high | 98 | Very high | 111 Ų | 111 | 67.3 Ų | 67.3 | 42% | 0.419 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -56.1 | 170.6 | -169.8 | -173.9 | 69.9 | 70.4 | 9 | 111 | K103 E104 F109 A110 E111 | K103-R107 WeakPolarHBondContact O-CB 3.44Å; K103-R107 PolarHBondContact O-N 3.43Å; E104-R107 PolarHBondContact O-N 3.12Å; E104-R107 IonicContact OE1-CZ 3.18Å; E104-R107 IonicContact OE1-NE 3.65Å; E104-R107 PolarHBondContact OE1-NE 3.24Å; E104-R107 IonicContact OE1-NH2 2.6Å; E104-R107 PolarHBondContact OE1-NH2 3.45Å; E104-R107 IonicContact OE2-CZ 2.75Å; E104-R107 IonicContact OE2-NE 3.53Å; E104-R107 PolarHBondContact OE2-NE 2.74Å; E104-R107 IonicContact OE2-NH2 2.73Å; R107-F109 VanDerWaalsContact C-N 3.29Å; R107-F109 PolarHBondContact O-N 3.02Å; R107-A110 WeakPolarHBondContact O-CB 3.34Å; R107-A110 PolarHBondContact O-N 3.27Å; R107-A110 VanDerWaalsContact O-N 3.09Å; R107-E111 IonicContact CZ-OE1 2.75Å; R107-E111 IonicContact NH1-OE1 2.72Å; R107-E111 PolarHBondContact NH1-OE1 2.98Å; R107-E111 PolarHBondContact O-N 3.31Å |
| 108 | V | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.1 | -27.4 | 178.3 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | E104 A110 E111 T112 P115 T119 L123 F138 | E104-V108 PolarHBondContact O-N 3.39Å; V108-A110 VanDerWaalsContact C-N 3.26Å; V108-A110 PolarHBondContact O-N 2.82Å; V108-E111 PolarHBondContact O-N 3.1Å; V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 PolarHBondContact O-N 3.05Å; V108-T112 VanDerWaalsContact O-O 3.12Å; V108-P115 HydrophobicContact CG1-CB 4.37Å; V108-T119 HydrophobicContact CG1-CG2 4.13Å; V108-L123 HydrophobicContact CB-CD1 3.97Å; V108-L123 HydrophobicContact CG1-CD1 3.93Å; V108-L123 HydrophobicContact CG2-CD1 4.09Å; V108-L123 HydrophobicContact CG2-CD2 3.88Å; V108-L123 HydrophobicContact CG2-CG 4.26Å; V108-F138 HydrophobicContact CB-CZ 4.39Å; V108-F138 HydrophobicContact CG1-CZ 4.27Å |
| 109 | F | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.035 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.2 | -29.6 | 171.5 | -172.2 | -95.5 | 0 | 0 | 0 | 113 | L105 E106 R107 T112 H113 W137 F138 R141 R142 F145 | L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 PolarHBondContact O-N 3.19Å; L105-F109 VanDerWaalsContact O-N 3.1Å; E106-F109 PolarHBondContact O-N 2.91Å; R107-F109 VanDerWaalsContact C-N 3.29Å; R107-F109 PolarHBondContact O-N 3.02Å; F109-T112 CarbonylContact O-C 3.6Å; F109-H113 AromaticContact CD1-CD2 3.7Å; F109-H113 AromaticContact CD2-CD2 3.99Å; F109-H113 AromaticContact CE1-CD2 3.25Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.23Å; F109-H113 AromaticContact CE1-NE2 3.45Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.39Å; F109-H113 HydrophobicContact CE2-CB 4.15Å; F109-H113 AromaticContact CE2-CD2 3.58Å; F109-H113 HydrophobicContact CZ-CB 4.4Å; F109-H113 AromaticContact CZ-CD2 3.18Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.43Å; F109-H113 AromaticContact CZ-CG 3.94Å; F109-H113 AromaticContact CZ-NE2 3.72Å; F109-H113 PolarHBondContact O-CD2 3.38Å; F109-W137 HydrophobicContact CB-CH2 4.35Å; F109-W137 HydrophobicContact CB-CZ3 4.24Å; F109-W137 HydrophobicContact CD2-CZ3 4.37Å; F109-F138 HydrophobicContact CB-CE1 3.94Å; F109-F138 HydrophobicContact CB-CZ 4.38Å; F109-F138 AromaticContact CD2-CD1 3.81Å; F109-F138 HydrophobicContact CD2-CD1 3.81Å; F109-F138 AromaticContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CG-CE1 4.36Å; F109-R141 HydrophobicContact CD1-CG 3.88Å; F109-R141 HydrophobicContact CD2-CB 4.2Å; F109-R141 HydrophobicContact CD2-CG 3.47Å; F109-R141 VanDerWaalsContact CD2-CG 3.47Å; F109-R141 HydrophobicContact CE1-CG 3.78Å; F109-R141 HydrophobicContact CE2-CB 3.99Å; F109-R141 HydrophobicContact CE2-CG 3.37Å; F109-R141 HydrophobicContact CG-CG 3.74Å; F109-R141 HydrophobicContact CZ-CB 4.46Å; F109-R141 HydrophobicContact CZ-CG 3.53Å; F109-R142 HydrophobicContact CE2-CG 3.92Å; F109-F145 HydrophobicContact CE1-CD2 4.28Å; F109-F145 HydrophobicContact CZ-CB 4.32Å; F109-F145 HydrophobicContact CZ-CD2 4.43Å; F109-F145 HydrophobicContact CZ-CG 4.48Å |
| 110 | A | 98 | Very high | 98.1 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 72% | 0.719 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -74.9 | -30.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E106 R107 V108 | E106-A110 PolarHBondContact O-N 2.89Å; E106-A110 VanDerWaalsContact O-N 3.1Å; R107-A110 WeakPolarHBondContact O-CB 3.34Å; R107-A110 PolarHBondContact O-N 3.27Å; R107-A110 VanDerWaalsContact O-N 3.09Å; V108-A110 VanDerWaalsContact C-N 3.26Å; V108-A110 PolarHBondContact O-N 2.82Å |
| 111 | E | 97.5 | Very high | 98.1 | Very high | 125 Ų | 125 | 70 Ų | 70 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.9 | -47.6 | 171.2 | -68.8 | 163 | -135.6 | 0 | 0 | 111.8 | R107 V108 | R107-E111 IonicContact CZ-OE1 2.75Å; R107-E111 IonicContact NH1-OE1 2.72Å; R107-E111 PolarHBondContact NH1-OE1 2.98Å; R107-E111 PolarHBondContact O-N 3.31Å; V108-E111 PolarHBondContact O-N 3.1Å |
| 112 | T | 97.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 73.9 Ų | 73.9 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | trans | -150.1 | 126.5 | 178 | 178 | 0 | 0 | 0 | 0 | 112.6 | V108 F109 Y114 P115 | V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 PolarHBondContact O-N 3.05Å; V108-T112 VanDerWaalsContact O-O 3.12Å; F109-T112 CarbonylContact O-C 3.6Å; T112-Y114 PolarHBondContact O-N 3.11Å; T112-Y114 VanDerWaalsContact OG1-C 3.3Å; T112-Y114 PolarHBondContact OG1-N 3.27Å; T112-Y114 PolarHBondContact OG1-O 2.86Å; T112-P115 HydrophobicContact CG2-CB 4.01Å | ||
| 113 | H | 97.8 | Very high | 98.1 | Very high | 68 Ų | 68 | 71.3 Ų | 71.3 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -65.4 | -18 | 170 | -62.5 | 150.5 | 0 | 0 | 0 | 112.9 | F109 R142 F145 | F109-H113 AromaticContact CD1-CD2 3.7Å; F109-H113 AromaticContact CD2-CD2 3.99Å; F109-H113 AromaticContact CE1-CD2 3.25Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.23Å; F109-H113 AromaticContact CE1-NE2 3.45Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.39Å; F109-H113 HydrophobicContact CE2-CB 4.15Å; F109-H113 AromaticContact CE2-CD2 3.58Å; F109-H113 HydrophobicContact CZ-CB 4.4Å; F109-H113 AromaticContact CZ-CD2 3.18Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.43Å; F109-H113 AromaticContact CZ-CG 3.94Å; F109-H113 AromaticContact CZ-NE2 3.72Å; F109-H113 PolarHBondContact O-CD2 3.38Å; H113-R142 HydrophobicContact CB-CG 4.45Å; H113-R142 VanDerWaalsContact O-CD 3.26Å; H113-R142 WeakPolarHBondContact O-CD 3.38Å; H113-R142 PolarHBondContact O-NH1 2.78Å; H113-F145 AromaticContact CE1-CZ 3.76Å |
| 114 | Y | 98.3 | Very high | 98.1 | Very high | 155 Ų | 155 | 64.5 Ų | 64.5 | 61% | 0.608 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -132.3 | 71.8 | -175.1 | -66.5 | -99.8 | 0 | 0 | 0 | 111.1 | T112 | T112-Y114 PolarHBondContact O-N 3.11Å; T112-Y114 VanDerWaalsContact OG1-C 3.3Å; T112-Y114 PolarHBondContact OG1-N 3.27Å; T112-Y114 PolarHBondContact OG1-O 2.86Å |
| 115 | P | 97.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | trans | -67.2 | 140.8 | 175.6 | 28.6 | -36 | 0 | 0 | 0 | 111.5 | V108 T112 T119 R120 F138 | V108-P115 HydrophobicContact CG1-CB 4.37Å; T112-P115 HydrophobicContact CG2-CB 4.01Å; P115-T119 HydrophobicContact CB-CG2 3.95Å; P115-R120 HydrophobicContact CB-CG 4.02Å; P115-R120 HydrophobicContact CG-CG 3.8Å; P115-R120 PolarHBondContact O-NH1 3.27Å; P115-F138 VanDerWaalsContact CD-CD1 3.46Å; P115-F138 HydrophobicContact CG-CD1 3.64Å; P115-F138 HydrophobicContact CG-CD2 4.13Å; P115-F138 HydrophobicContact CG-CE1 3.52Å; P115-F138 HydrophobicContact CG-CE2 4.03Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.74Å | ||
| 116 | D | 98.3 | Very high | 98.1 | Very high | 91 Ų | 91 | 74.8 Ų | 74.8 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | trans | -73.6 | 169.5 | 178.8 | -173.6 | 37.9 | 0 | 0 | 0 | 112.7 | Y118 T119 R120 | D116-Y118 PolarHBondContact O-N 3.23Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.39Å; D116-T119 PolarHBondContact O-N 3.21Å; D116-R120 WeakPolarHBondContact O-CG 3.4Å; D116-R120 PolarHBondContact O-N 3.3Å; D116-R120 PolarHBondContact O-NH1 3.33Å | ||
| 117 | I | 98 | Very high | 98 | Very high | 55 Ų | 55 | 71.4 Ų | 71.4 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.2 | -51.2 | -178.2 | -176.1 | 61.3 | 0 | 0 | 0 | 111.9 | T119 R120 E121 E131 | I117-T119 VanDerWaalsContact C-N 3.35Å; I117-T119 PolarHBondContact O-N 3.44Å; I117-R120 CarbonylContact O-C 3.47Å; I117-R120 PolarHBondContact O-N 3.12Å; I117-E121 HydrophobicContact CD1-CG 4.2Å; I117-E121 HydrophobicContact CG1-CG 4.41Å; I117-E121 WeakPolarHBondContact O-CG 3.43Å; I117-E121 PolarHBondContact O-N 3.01Å; I117-E131 HydrophobicContact CD1-CG 3.92Å |
| 118 | Y | 98.3 | Very high | 98 | Very high | 170 Ų | 170 | 73.1 Ų | 73.1 | 67% | 0.667 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | -178.8 | -56.2 | -65.9 | 0 | 0 | 0 | 112.4 | D116 R120 E121 E122 | D116-Y118 PolarHBondContact O-N 3.23Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.39Å; Y118-R120 VanDerWaalsContact C-N 3.33Å; Y118-R120 PolarHBondContact O-N 3.37Å; Y118-E121 PolarHBondContact O-N 3.08Å; Y118-E122 PolarHBondContact O-N 2.92Å |
| 119 | T | 98 | Very high | 98 | Very high | 52 Ų | 52 | 74.5 Ų | 74.5 | 32% | 0.319 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 175.4 | -43.3 | 0 | 0 | 0 | 0 | 112 | V108 P115 D116 I117 L123 | V108-T119 HydrophobicContact CG1-CG2 4.13Å; P115-T119 HydrophobicContact CB-CG2 3.95Å; D116-T119 PolarHBondContact O-N 3.21Å; I117-T119 VanDerWaalsContact C-N 3.35Å; I117-T119 PolarHBondContact O-N 3.44Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.2Å; T119-L123 VanDerWaalsContact O-N 3.07Å |
| 120 | R | 98.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 78.3 Ų | 78.3 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -74.7 | -30.6 | 176.6 | -64.7 | -171.5 | -43 | -85.7 | -4.7 | 112.4 | P115 D116 I117 Y118 A124 E131 V134 | P115-R120 HydrophobicContact CB-CG 4.02Å; P115-R120 HydrophobicContact CG-CG 3.8Å; P115-R120 PolarHBondContact O-NH1 3.27Å; D116-R120 WeakPolarHBondContact O-CG 3.4Å; D116-R120 PolarHBondContact O-N 3.3Å; D116-R120 PolarHBondContact O-NH1 3.33Å; I117-R120 CarbonylContact O-C 3.47Å; I117-R120 PolarHBondContact O-N 3.12Å; Y118-R120 VanDerWaalsContact C-N 3.33Å; Y118-R120 PolarHBondContact O-N 3.37Å; R120-A124 WeakPolarHBondContact O-CB 3.26Å; R120-A124 PolarHBondContact O-N 2.99Å; R120-E131 HydrophobicContact CB-CG 4.07Å; R120-E131 IonicContact CZ-OE1 3.98Å; R120-E131 IonicContact NE-OE1 3.17Å; R120-E131 PolarHBondContact NE-OE1 3.21Å; R120-E131 IonicContact NH2-OE1 2.64Å; R120-E131 PolarHBondContact NH2-OE1 2.87Å; R120-V134 HydrophobicContact CB-CG1 4.11Å; R120-V134 HydrophobicContact CG-CG1 4.14Å |
| 121 | E | 98.5 | Very high | 98 | Very high | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.3 | -46.6 | 173.5 | -72.2 | 175.3 | 161.4 | 0 | 0 | 111.6 | I117 Y118 L123 A124 L125 E131 | I117-E121 HydrophobicContact CD1-CG 4.2Å; I117-E121 HydrophobicContact CG1-CG 4.41Å; I117-E121 WeakPolarHBondContact O-CG 3.43Å; I117-E121 PolarHBondContact O-N 3.01Å; Y118-E121 PolarHBondContact O-N 3.08Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.13Å; E121-A124 WeakPolarHBondContact O-CB 3.48Å; E121-A124 PolarHBondContact O-N 2.99Å; E121-A124 VanDerWaalsContact O-N 3.15Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 2.64Å; E121-E131 HydrophobicContact CG-CB 4.43Å; E121-E131 HydrophobicContact CG-CG 4.11Å |
| 122 | E | 98.1 | Very high | 98 | Very high | 108 Ų | 108 | 72.1 Ų | 72.1 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 174 | -165.4 | -147.1 | 137.3 | 0 | 0 | 111.3 | Y118 A124 L125 K126 | Y118-E122 PolarHBondContact O-N 2.92Å; E122-A124 PolarHBondContact O-N 2.95Å; E122-L125 PolarHBondContact O-N 2.99Å; E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 PolarHBondContact O-N 3.21Å; E122-K126 WeakPolarHBondContact OE1-CE 3.31Å; E122-K126 IonicContact OE1-NZ 2.65Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å |
| 123 | L | 98.1 | Very high | 98 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 172.9 | -87.2 | 176 | 0 | 0 | 0 | 112.5 | E104 V108 T119 E121 L125 K126 I127 V134 F138 | E104-L123 HydrophobicContact CG-CD2 3.71Å; V108-L123 HydrophobicContact CB-CD1 3.97Å; V108-L123 HydrophobicContact CG1-CD1 3.93Å; V108-L123 HydrophobicContact CG2-CD1 4.09Å; V108-L123 HydrophobicContact CG2-CD2 3.88Å; V108-L123 HydrophobicContact CG2-CG 4.26Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.2Å; T119-L123 VanDerWaalsContact O-N 3.07Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.13Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 2.79Å; L123-K126 PolarHBondContact O-N 3.38Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 3.13Å; L123-I127 VanDerWaalsContact O-N 3.13Å; L123-V134 HydrophobicContact CB-CG1 4.39Å; L123-V134 HydrophobicContact CD1-CG1 4.26Å; L123-F138 HydrophobicContact CD1-CE2 4.02Å; L123-F138 HydrophobicContact CD1-CZ 4.26Å |
| 124 | A | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R120 E121 E122 D128 L129 V134 | R120-A124 WeakPolarHBondContact O-CB 3.26Å; R120-A124 PolarHBondContact O-N 2.99Å; E121-A124 WeakPolarHBondContact O-CB 3.48Å; E121-A124 PolarHBondContact O-N 2.99Å; E121-A124 VanDerWaalsContact O-N 3.15Å; E122-A124 PolarHBondContact O-N 2.95Å; A124-D128 PolarHBondContact O-N 3Å; A124-L129 CarbonylContact C-O 3.54Å; A124-L129 WeakPolarHBondContact CB-O 3.3Å; A124-L129 PolarHBondContact O-N 3.37Å; A124-L129 VanDerWaalsContact O-O 3.08Å; A124-V134 HydrophobicContact CB-CG2 3.99Å |
| 125 | L | 98.2 | Very high | 98 | Very high | 146 Ų | 146 | 67 Ų | 67 | 76% | 0.764 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 173.2 | -65.7 | 172.8 | 0 | 0 | 0 | 112.1 | E121 E122 L123 I127 | E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 2.64Å; E122-L125 PolarHBondContact O-N 2.99Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 2.79Å; L125-I127 PolarHBondContact O-N 3.37Å |
| 126 | K | 97.4 | Very high | 98 | Very high | 107 Ų | 107 | 69.5 Ų | 69.5 | 47% | 0.465 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -20.6 | -176.8 | -171 | 178.6 | -63.8 | 172.5 | 0 | 114.2 | E104 E122 L123 | E104-K126 HydrophobicContact CG-CD 4.18Å; E104-K126 WeakPolarHBondContact OE1-CD 3.31Å; E104-K126 IonicContact OE1-NZ 3.64Å; E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 PolarHBondContact O-N 3.21Å; E122-K126 WeakPolarHBondContact OE1-CE 3.31Å; E122-K126 IonicContact OE1-NZ 2.65Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å; L123-K126 PolarHBondContact O-N 3.38Å |
| 127 | I | 97.5 | Very high | 98 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 14.1 | -173 | 79.5 | -166.8 | 0 | 0 | 0 | 113.9 | Q101 E104 L105 L123 L125 L129 V134 | Q101-I127 HydrophobicContact CG-CB 4.13Å; Q101-I127 PolarHBondContact NE2-O 2.97Å; E104-I127 HydrophobicContact CB-CG2 3.98Å; E104-I127 HydrophobicContact CG-CG2 3.76Å; L105-I127 HydrophobicContact CD1-CD1 4.03Å; L105-I127 HydrophobicContact CD2-CD1 3.71Å; L105-I127 HydrophobicContact CG-CD1 3.72Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 3.13Å; L123-I127 VanDerWaalsContact O-N 3.13Å; L125-I127 PolarHBondContact O-N 3.37Å; I127-L129 HydrophobicContact CD1-CD1 3.89Å; I127-L129 HydrophobicContact CG1-CB 4.17Å; I127-L129 HydrophobicContact CG1-CD1 3.84Å; I127-L129 HydrophobicContact CG1-CG 4Å; I127-V134 HydrophobicContact CD1-CG2 4.27Å |
| 128 | D | 97.9 | Very high | 98.1 | Very high | 148 Ų | 148 | 63.8 Ų | 63.8 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 52.4 | -179.9 | -64.7 | -54.9 | 0 | 0 | 0 | 114.3 | A124 | A124-D128 PolarHBondContact O-N 3Š|
| 129 | L | 97 | Very high | 98.1 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | trans | -134.1 | 171.6 | 177.1 | -68 | 179.1 | 0 | 0 | 0 | 111.5 | T95 F97 A124 I127 R133 | T95-L129 HydrophobicContact CG2-CD2 3.96Å; F97-L129 HydrophobicContact CD1-CD1 3.73Å; F97-L129 HydrophobicContact CE1-CD1 3.68Å; A124-L129 CarbonylContact C-O 3.54Å; A124-L129 WeakPolarHBondContact CB-O 3.3Å; A124-L129 PolarHBondContact O-N 3.37Å; A124-L129 VanDerWaalsContact O-O 3.08Å; I127-L129 HydrophobicContact CD1-CD1 3.89Å; I127-L129 HydrophobicContact CG1-CB 4.17Å; I127-L129 HydrophobicContact CG1-CD1 3.84Å; I127-L129 HydrophobicContact CG1-CG 4Å; L129-R133 HydrophobicContact CB-CB 4.29Å; L129-R133 HydrophobicContact CD1-CB 4.41Å; L129-R133 HydrophobicContact CD2-CG 4.49Å | ||
| 130 | T | 98 | Very high | 98.1 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | trans | -91.5 | 151.6 | 166.6 | 72 | 0 | 0 | 0 | 0 | 110.7 | A132 R133 V134 | T130-A132 PolarHBondContact O-N 2.91Å; T130-R133 WeakPolarHBondContact O-CA 3.18Å; T130-R133 WeakPolarHBondContact O-CB 3.45Å; T130-R133 PolarHBondContact O-N 3.05Å; T130-V134 PolarHBondContact O-N 3.11Å | ||
| 131 | E | 98.1 | Very high | 98.1 | Very high | 42 Ų | 42 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -48 | -45.3 | 175.3 | -172.7 | -75.4 | 160.5 | 0 | 0 | 110.9 | I117 R120 E121 R133 V134 Q135 | I117-E131 HydrophobicContact CD1-CG 3.92Å; R120-E131 HydrophobicContact CB-CG 4.07Å; R120-E131 IonicContact CZ-OE1 3.98Å; R120-E131 IonicContact NE-OE1 3.17Å; R120-E131 PolarHBondContact NE-OE1 3.21Å; R120-E131 IonicContact NH2-OE1 2.64Å; R120-E131 PolarHBondContact NH2-OE1 2.87Å; E121-E131 HydrophobicContact CG-CB 4.43Å; E121-E131 HydrophobicContact CG-CG 4.11Å; E131-R133 PolarHBondContact O-N 3.33Å; E131-V134 CarbonylContact O-C 3.51Å; E131-V134 WeakPolarHBondContact O-CA 3.48Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.23Å; E131-Q135 WeakPolarHBondContact O-CB 3.4Å; E131-Q135 PolarHBondContact O-N 3.14Å |
| 132 | A | 97.6 | Very high | 98 | Very high | 41 Ų | 41 | 62.3 Ų | 62.3 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T130 V136 | T130-A132 PolarHBondContact O-N 2.91Å; A132-V136 VanDerWaalsContact O-CG2 3.29Å; A132-V136 WeakPolarHBondContact O-CG2 3.45Å |
| 133 | R | 97.9 | Very high | 98 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -90.1 | -45.2 | 162.7 | -57.1 | -59.9 | 74 | 165.6 | -0.9 | 110.6 | T95 L129 T130 E131 V136 W137 | T95-R133 WeakPolarHBondContact OG1-CD 3.25Å; L129-R133 HydrophobicContact CB-CB 4.29Å; L129-R133 HydrophobicContact CD1-CB 4.41Å; L129-R133 HydrophobicContact CD2-CG 4.49Å; T130-R133 WeakPolarHBondContact O-CA 3.18Å; T130-R133 WeakPolarHBondContact O-CB 3.45Å; T130-R133 PolarHBondContact O-N 3.05Å; E131-R133 PolarHBondContact O-N 3.33Å; R133-V136 PolarHBondContact O-N 3.08Å; R133-W137 WeakPolarHBondContact O-CB 3.47Å; R133-W137 PolarHBondContact O-N 3.38Å |
| 134 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -51.4 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | L105 R120 L123 A124 I127 T130 E131 V136 W137 F138 | L105-V134 HydrophobicContact CD2-CG1 3.94Å; L105-V134 HydrophobicContact CD2-CG2 4.41Å; R120-V134 HydrophobicContact CB-CG1 4.11Å; R120-V134 HydrophobicContact CG-CG1 4.14Å; L123-V134 HydrophobicContact CB-CG1 4.39Å; L123-V134 HydrophobicContact CD1-CG1 4.26Å; A124-V134 HydrophobicContact CB-CG2 3.99Å; I127-V134 HydrophobicContact CD1-CG2 4.27Å; T130-V134 PolarHBondContact O-N 3.11Å; E131-V134 CarbonylContact O-C 3.51Å; E131-V134 WeakPolarHBondContact O-CA 3.48Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.23Å; V134-V136 VanDerWaalsContact C-N 3.29Å; V134-V136 PolarHBondContact O-N 3.45Å; V134-W137 WeakPolarHBondContact O-CB 3.35Å; V134-W137 PolarHBondContact O-N 2.96Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.81Å; V134-F138 WeakPolarHBondContact O-CD2 3.49Å; V134-F138 PolarHBondContact O-N 3.39Å |
| 135 | Q | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.2 | -42.2 | 176.7 | -164 | -144.7 | 35.2 | 0 | 0 | 112.6 | E131 Q139 | E131-Q135 WeakPolarHBondContact O-CB 3.4Å; E131-Q135 PolarHBondContact O-N 3.14Å; Q135-Q139 VanDerWaalsContact O-CG 3.3Å; Q135-Q139 WeakPolarHBondContact O-CG 3.46Å; Q135-Q139 PolarHBondContact O-N 3.48Å; Q135-Q139 PolarHBondContact O-NE2 2.9Å |
| 136 | V | 98.3 | Very high | 97.8 | Very high | 59 Ų | 59 | 68.9 Ų | 68.9 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.7 | -36.1 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | A132 R133 V134 N140 | A132-V136 VanDerWaalsContact O-CG2 3.29Å; A132-V136 WeakPolarHBondContact O-CG2 3.45Å; R133-V136 PolarHBondContact O-N 3.08Å; V134-V136 VanDerWaalsContact C-N 3.29Å; V134-V136 PolarHBondContact O-N 3.45Å; V136-N140 PolarHBondContact O-N 3.45Å; V136-N140 VanDerWaalsContact O-N 3.11Å; V136-N140 PolarHBondContact O-ND2 3.15Å |
| 137 | W | 98.3 | Very high | 97.7 | Very high | 24 Ų | 24 | 71.5 Ų | 71.5 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -49 | 174.2 | -174.5 | 102.6 | 0 | 0 | 0 | 111 | F97 L102 L105 E106 F109 R133 V134 Q139 N140 R141 | F97-W137 HydrophobicContact CE1-CB 4.46Å; F97-W137 AromaticContact CE2-CD1 3.81Å; F97-W137 HydrophobicContact CZ-CB 4.16Å; F97-W137 AromaticContact CZ-CD1 3.77Å; F97-W137 HydrophobicContact CZ-CG 4.37Å; L102-W137 HydrophobicContact CD2-CZ2 4.41Å; L102-W137 VanDerWaalsContact CD2-NE1 3.27Å; L105-W137 HydrophobicContact CB-CD2 4.08Å; L105-W137 HydrophobicContact CB-CE3 4.02Å; L105-W137 HydrophobicContact CB-CH2 3.77Å; L105-W137 HydrophobicContact CB-CZ2 3.81Å; L105-W137 HydrophobicContact CB-CZ3 3.87Å; L105-W137 HydrophobicContact CD1-CD2 3.96Å; L105-W137 HydrophobicContact CD1-CG 3.94Å; L105-W137 HydrophobicContact CD2-CD2 4.41Å; L105-W137 HydrophobicContact CD2-CE3 4.24Å; L105-W137 HydrophobicContact CG-CD2 4.39Å; E106-W137 HydrophobicContact CG-CH2 3.58Å; E106-W137 HydrophobicContact CG-CZ2 3.66Å; F109-W137 HydrophobicContact CB-CH2 4.35Å; F109-W137 HydrophobicContact CB-CZ3 4.24Å; F109-W137 HydrophobicContact CD2-CZ3 4.37Å; R133-W137 WeakPolarHBondContact O-CB 3.47Å; R133-W137 PolarHBondContact O-N 3.38Å; V134-W137 WeakPolarHBondContact O-CB 3.35Å; V134-W137 PolarHBondContact O-N 2.96Å; W137-Q139 PolarHBondContact O-N 2.86Å; W137-N140 PolarHBondContact O-N 2.95Å; W137-N140 VanDerWaalsContact O-N 3.1Å; W137-R141 HydrophobicContact CD2-CB 4.49Å; W137-R141 HydrophobicContact CE3-CB 4.03Å; W137-R141 HydrophobicContact CH2-CB 3.97Å; W137-R141 HydrophobicContact CH2-CG 3.67Å; W137-R141 HydrophobicContact CZ2-CB 4.44Å; W137-R141 HydrophobicContact CZ2-CG 4.34Å; W137-R141 HydrophobicContact CZ3-CB 3.76Å; W137-R141 HydrophobicContact CZ3-CG 3.79Å; W137-R141 WeakPolarHBondContact O-CB 3.49Å; W137-R141 PolarHBondContact O-N 3.24Å |
| 138 | F | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 77 Ų | 77 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 179.3 | -90 | -91.3 | 0 | 0 | 0 | 112.5 | L105 V108 F109 P115 L123 V134 R141 R142 | L105-F138 HydrophobicContact CD2-CD2 4.42Å; L105-F138 HydrophobicContact CD2-CE2 3.81Å; V108-F138 HydrophobicContact CB-CZ 4.39Å; V108-F138 HydrophobicContact CG1-CZ 4.27Å; F109-F138 HydrophobicContact CB-CE1 3.94Å; F109-F138 HydrophobicContact CB-CZ 4.38Å; F109-F138 AromaticContact CD2-CD1 3.81Å; F109-F138 HydrophobicContact CD2-CD1 3.81Å; F109-F138 AromaticContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CG-CE1 4.36Å; P115-F138 VanDerWaalsContact CD-CD1 3.46Å; P115-F138 HydrophobicContact CG-CD1 3.64Å; P115-F138 HydrophobicContact CG-CD2 4.13Å; P115-F138 HydrophobicContact CG-CE1 3.52Å; P115-F138 HydrophobicContact CG-CE2 4.03Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.74Å; L123-F138 HydrophobicContact CD1-CE2 4.02Å; L123-F138 HydrophobicContact CD1-CZ 4.26Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.81Å; V134-F138 WeakPolarHBondContact O-CD2 3.49Å; V134-F138 PolarHBondContact O-N 3.39Å; F138-R141 PolarHBondContact O-N 3.32Å; F138-R142 WeakPolarHBondContact O-CB 3.28Å; F138-R142 WeakPolarHBondContact O-CG 3.21Å; F138-R142 PolarHBondContact O-N 2.95Å |
| 139 | Q | 98.5 | Very high | 97 | Very high | 93 Ų | 93 | 74.3 Ų | 74.3 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.8 | -47 | 171.5 | -76.1 | 171 | 76.8 | 0 | 0 | 112.2 | Q135 W137 A143 | Q135-Q139 VanDerWaalsContact O-CG 3.3Å; Q135-Q139 WeakPolarHBondContact O-CG 3.46Å; Q135-Q139 PolarHBondContact O-N 3.48Å; Q135-Q139 PolarHBondContact O-NE2 2.9Å; W137-Q139 PolarHBondContact O-N 2.86Å; Q139-A143 WeakPolarHBondContact O-CB 3.47Å; Q139-A143 PolarHBondContact O-N 3.12Å |
| 140 | N | 98.2 | Very high | 96.4 | Very high | 98 Ų | 98 | 81.8 Ų | 81.8 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 178.1 | -78.8 | -73.3 | 0 | 0 | 0 | 112.6 | V136 W137 A143 K144 | V136-N140 PolarHBondContact O-N 3.45Å; V136-N140 VanDerWaalsContact O-N 3.11Å; V136-N140 PolarHBondContact O-ND2 3.15Å; W137-N140 PolarHBondContact O-N 2.95Å; W137-N140 VanDerWaalsContact O-N 3.1Å; N140-A143 PolarHBondContact O-N 2.95Å; N140-K144 PolarHBondContact O-N 3.41Å |
| 141 | R | 98.2 | Very high | 95.6 | Very high | 78 Ų | 78 | 80.4 Ų | 80.4 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 176 | -175.8 | 73.9 | -168.4 | 177.7 | 9.2 | 110.9 | E106 F109 W137 F138 A143 K144 F145 | E106-R141 IonicContact OE1-CZ 3.46Å; E106-R141 IonicContact OE1-NE 2.72Å; E106-R141 IonicContact OE1-NH1 3.69Å; E106-R141 PolarHBondContact OE1-NH1 3.04Å; F109-R141 HydrophobicContact CD1-CG 3.88Å; F109-R141 HydrophobicContact CD2-CB 4.2Å; F109-R141 HydrophobicContact CD2-CG 3.47Å; F109-R141 VanDerWaalsContact CD2-CG 3.47Å; F109-R141 HydrophobicContact CE1-CG 3.78Å; F109-R141 HydrophobicContact CE2-CB 3.99Å; F109-R141 HydrophobicContact CE2-CG 3.37Å; F109-R141 HydrophobicContact CG-CG 3.74Å; F109-R141 HydrophobicContact CZ-CB 4.46Å; F109-R141 HydrophobicContact CZ-CG 3.53Å; W137-R141 HydrophobicContact CD2-CB 4.49Å; W137-R141 HydrophobicContact CE3-CB 4.03Å; W137-R141 HydrophobicContact CH2-CB 3.97Å; W137-R141 HydrophobicContact CH2-CG 3.67Å; W137-R141 HydrophobicContact CZ2-CB 4.44Å; W137-R141 HydrophobicContact CZ2-CG 4.34Å; W137-R141 HydrophobicContact CZ3-CB 3.76Å; W137-R141 HydrophobicContact CZ3-CG 3.79Å; W137-R141 WeakPolarHBondContact O-CB 3.49Å; W137-R141 PolarHBondContact O-N 3.24Å; F138-R141 PolarHBondContact O-N 3.32Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.08Å; R141-K144 PolarHBondContact O-N 3.2Å; R141-F145 PolarHBondContact O-N 2.96Å |
| 142 | R | 98.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 81.5 Ų | 81.5 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 172.2 | -72.7 | -164.3 | -65.1 | -92.8 | 7.7 | 113.3 | F109 H113 F138 F145 R146 | F109-R142 HydrophobicContact CE2-CG 3.92Å; H113-R142 HydrophobicContact CB-CG 4.45Å; H113-R142 VanDerWaalsContact O-CD 3.26Å; H113-R142 WeakPolarHBondContact O-CD 3.38Å; H113-R142 PolarHBondContact O-NH1 2.78Å; F138-R142 WeakPolarHBondContact O-CB 3.28Å; F138-R142 WeakPolarHBondContact O-CG 3.21Å; F138-R142 PolarHBondContact O-N 2.95Å; R142-F145 PolarHBondContact O-N 3.26Å; R142-R146 PolarHBondContact O-N 3.26Å; R142-R146 VanDerWaalsContact O-N 3.13Å |
| 143 | A | 97.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 83.8 Ų | 83.8 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q139 N140 R141 K147 | Q139-A143 WeakPolarHBondContact O-CB 3.47Å; Q139-A143 PolarHBondContact O-N 3.12Å; N140-A143 PolarHBondContact O-N 2.95Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.08Å; A143-K147 PolarHBondContact O-N 3.47Å |
| 144 | K | 97 | Very high | 92.3 | Very high | 142 Ų | 142 | 82.4 Ų | 82.4 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65 | -39.4 | 172.3 | -74.9 | -176.5 | 176.2 | -174.1 | 0 | 112.6 | N140 R141 K147 Q148 | N140-K144 PolarHBondContact O-N 3.41Å; R141-K144 PolarHBondContact O-N 3.2Å; K144-K147 PolarHBondContact O-N 3.45Å; K144-Q148 WeakPolarHBondContact O-CG 3.29Å; K144-Q148 PolarHBondContact O-N 3.49Å; K144-Q148 VanDerWaalsContact O-N 3.15Å; K144-Q148 PolarHBondContact O-NE2 3.22Å |
| 145 | F | 96.3 | Very high | 90.5 | Very high | 72 Ų | 72 | 90.6 Ų | 90.6 | 32% | 0.316 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.9 | -58.3 | 178 | -172.3 | -94.9 | 0 | 0 | 0 | 110.9 | F109 H113 R141 R142 K147 Q148 E149 | F109-F145 HydrophobicContact CE1-CD2 4.28Å; F109-F145 HydrophobicContact CZ-CB 4.32Å; F109-F145 HydrophobicContact CZ-CD2 4.43Å; F109-F145 HydrophobicContact CZ-CG 4.48Å; H113-F145 AromaticContact CE1-CZ 3.76Å; R141-F145 PolarHBondContact O-N 2.96Å; R142-F145 PolarHBondContact O-N 3.26Å; F145-K147 PolarHBondContact O-N 2.96Å; F145-K147 VanDerWaalsContact O-N 3.08Å; F145-Q148 WeakPolarHBondContact O-CB 3.48Å; F145-Q148 PolarHBondContact O-N 3.44Å; F145-E149 HydrophobicContact CD1-CG 4.28Å; F145-E149 WeakPolarHBondContact CD1-OE2 3.44Å; F145-E149 HydrophobicContact CE1-CG 4.06Å; F145-E149 WeakPolarHBondContact CE1-OE1 2.93Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.33Å; F145-E149 PolarHBondContact O-N 3.44Å; F145-E149 VanDerWaalsContact O-N 3.14Å |
| 146 | R | 96.3 | Very high | 88.5 | Confident | 139 Ų | 139 | 89.6 Ų | 89.6 | 53% | 0.525 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.3 | -25.2 | 177.9 | -65.5 | -173 | -61.3 | 164.3 | 1.9 | 114.8 | R142 E149 R150 | R142-R146 PolarHBondContact O-N 3.26Å; R142-R146 VanDerWaalsContact O-N 3.13Å; R146-E149 VanDerWaalsContact CA-OE2 3.28Å; R146-E149 WeakPolarHBondContact CA-OE2 3.32Å; R146-R150 WeakPolarHBondContact O-CG 3.21Å; R146-R150 PolarHBondContact O-N 3.33Å |
| 147 | K | 95.1 | Very high | 86.4 | Confident | 162 Ų | 162 | 91.3 Ų | 91.3 | 70% | 0.704 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.7 | -35.4 | 173 | -172.4 | 174.1 | -179.6 | 179 | 0 | 112.5 | A143 K144 F145 A151 | A143-K147 PolarHBondContact O-N 3.47Å; K144-K147 PolarHBondContact O-N 3.45Å; F145-K147 PolarHBondContact O-N 2.96Å; F145-K147 VanDerWaalsContact O-N 3.08Å; K147-A151 WeakPolarHBondContact O-CB 3.14Å; K147-A151 PolarHBondContact O-N 2.61Å |
| 148 | Q | 92.5 | Very high | 84.1 | Confident | 126 Ų | 126 | 93.3 Ų | 93.3 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.2 | -43.1 | 178.6 | -73.7 | 165.1 | 103.8 | 0 | 0 | 111.4 | K144 F145 R150 A151 A152 | K144-Q148 WeakPolarHBondContact O-CG 3.29Å; K144-Q148 PolarHBondContact O-N 3.49Å; K144-Q148 VanDerWaalsContact O-N 3.15Å; K144-Q148 PolarHBondContact O-NE2 3.22Å; F145-Q148 WeakPolarHBondContact O-CB 3.48Å; F145-Q148 PolarHBondContact O-N 3.44Å; Q148-R150 PolarHBondContact O-N 3.2Å; Q148-A151 PolarHBondContact O-N 3.25Å; Q148-A151 VanDerWaalsContact O-N 3.12Å; Q148-A152 PolarHBondContact O-N 3.09Å |
| 149 | E | 88.1 | Confident | 81.5 | Confident | 92 Ų | 92 | 96.7 Ų | 96.7 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -54.2 | -53.3 | 174.9 | -64.2 | 174 | 114.3 | 0 | 0 | 111.2 | F145 R146 A151 A152 S153 | F145-E149 HydrophobicContact CD1-CG 4.28Å; F145-E149 WeakPolarHBondContact CD1-OE2 3.44Å; F145-E149 HydrophobicContact CE1-CG 4.06Å; F145-E149 WeakPolarHBondContact CE1-OE1 2.93Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.33Å; F145-E149 PolarHBondContact O-N 3.44Å; F145-E149 VanDerWaalsContact O-N 3.14Å; R146-E149 VanDerWaalsContact CA-OE2 3.28Å; R146-E149 WeakPolarHBondContact CA-OE2 3.32Å; E149-A151 VanDerWaalsContact C-N 3.26Å; E149-A151 PolarHBondContact O-N 3.34Å; E149-A152 WeakPolarHBondContact O-CB 3.27Å; E149-A152 PolarHBondContact O-N 3.25Å; E149-S153 PolarHBondContact O-N 3.05Å; E149-S153 PolarHBondContact O-OG 2.75Å |
| 150 | R | 84.1 | Confident | 79.2 | Confident | 191 Ų | 191 | 96.5 Ų | 96.5 | 72% | 0.721 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.8 | -35.6 | 177.5 | -69.5 | 176.5 | -178.7 | -155.9 | -2.9 | 113.1 | R146 Q148 A154 | R146-R150 WeakPolarHBondContact O-CG 3.21Å; R146-R150 PolarHBondContact O-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.2Å; R150-A154 VanDerWaalsContact O-CB 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.45Å; R150-A154 PolarHBondContact O-N 3.4Å |
| 151 | A | 82.4 | Confident | 76.5 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73 | -28.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K147 Q148 E149 K155 | K147-A151 WeakPolarHBondContact O-CB 3.14Å; K147-A151 PolarHBondContact O-N 2.61Å; Q148-A151 PolarHBondContact O-N 3.25Å; Q148-A151 VanDerWaalsContact O-N 3.12Å; E149-A151 VanDerWaalsContact C-N 3.26Å; E149-A151 PolarHBondContact O-N 3.34Å; A151-K155 PolarHBondContact O-N 3.49Å |
| 152 | A | 80.3 | Confident | 73.6 | Confident | 66 Ų | 66 | 98.5 Ų | 98.5 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.8 | -49.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q148 E149 A154 K155 G156 | Q148-A152 PolarHBondContact O-N 3.09Å; E149-A152 WeakPolarHBondContact O-CB 3.27Å; E149-A152 PolarHBondContact O-N 3.25Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.03Å; A152-K155 PolarHBondContact O-N 3.5Å; A152-G156 PolarHBondContact O-N 3.43Å |
| 153 | S | 74.3 | Confident | 71.2 | Confident | 88 Ų | 88 | 102.7 Ų | 102.7 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.5 | -40.5 | 177.1 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | E149 K155 G156 A157 | E149-S153 PolarHBondContact O-N 3.05Å; E149-S153 PolarHBondContact O-OG 2.75Å; S153-K155 VanDerWaalsContact C-N 3.27Å; S153-K155 PolarHBondContact O-N 3.48Å; S153-G156 PolarHBondContact O-N 2.9Å; S153-G156 VanDerWaalsContact O-N 3.09Å; S153-A157 PolarHBondContact O-N 2.72Å |
| 154 | A | 69.1 | Low | 68.6 | Low | 61 Ų | 61 | 110.1 Ų | 110.1 | 50% | 0.504 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -62.7 | -30.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R150 A152 A158 | R150-A154 VanDerWaalsContact O-CB 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.45Å; R150-A154 PolarHBondContact O-N 3.4Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.03Å; A154-A158 PolarHBondContact O-N 3Å |
| 155 | K | 60.7 | Low | 66.2 | Low | 172 Ų | 172 | 113 Ų | 113 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.4 | -29 | 173.2 | -77.2 | -173.6 | 172.1 | -171.5 | 0 | 113 | A151 A152 S153 A158 | A151-K155 PolarHBondContact O-N 3.49Å; A152-K155 PolarHBondContact O-N 3.5Å; S153-K155 VanDerWaalsContact C-N 3.27Å; S153-K155 PolarHBondContact O-N 3.48Å; K155-A158 PolarHBondContact O-N 3.34Å |
| 156 | G | 56.4 | Low | 63.4 | Low | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A152 S153 A158 G159 | A152-G156 PolarHBondContact O-N 3.43Å; S153-G156 PolarHBondContact O-N 2.9Å; S153-G156 VanDerWaalsContact O-N 3.09Å; G156-A158 VanDerWaalsContact C-N 3.27Å; G156-A158 PolarHBondContact O-N 3.48Å; G156-G159 PolarHBondContact O-N 3.07Å |
| 157 | A | 53.8 | Low | 60.8 | Low | 94 Ų | 94 | 112.9 Ų | 112.9 | 78% | 0.777 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.8 | -23.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | S153 | S153-A157 PolarHBondContact O-N 2.72Å |
| 158 | A | 49.9 | Very low | 58.3 | Low | 67 Ų | 67 | 109.8 Ų | 109.8 | 55% | 0.554 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 5.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A154 K155 G156 A160 | A154-A158 PolarHBondContact O-N 3Å; K155-A158 PolarHBondContact O-N 3.34Å; G156-A158 VanDerWaalsContact C-N 3.27Å; G156-A158 PolarHBondContact O-N 3.48Å; A158-A160 PolarHBondContact O-N 3.45Å |
| 159 | G | 44 | Very low | 55.9 | Low | 71 Ų | 71 | 114 Ų | 114 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 8.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | G156 | G156-G159 PolarHBondContact O-N 3.07Š|
| 160 | A | 49.8 | Very low | 53.3 | Low | 89 Ų | 89 | 115.6 Ų | 115.6 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 19.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A158 | A158-A160 PolarHBondContact O-N 3.45Š|
| 161 | T | 42 | Very low | 51.2 | Low | 141 Ų | 141 | 111.6 Ų | 111.6 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -167.3 | 150.9 | 161.1 | 2.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 162 | G | 38.3 | Very low | 49.3 | Very low | 78 Ų | 78 | 113.2 Ų | 113.2 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | 91.9 | 78.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118 | K164 | G162-K164 PolarHBondContact O-N 3.34Š| ||
| 163 | T | 47.8 | Very low | 47.8 | Very low | 138 Ų | 138 | 119 Ų | 119 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -46.7 | 126.1 | 164.3 | -51.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 164 | K | 42.2 | Very low | 46.5 | Very low | 206 Ų | 206 | 121.1 Ų | 121.1 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | trans | -162.6 | 134.7 | 137.1 | -109 | 154.5 | -167.6 | 176.6 | 0 | 115.1 | G162 | G162-K164 PolarHBondContact O-N 3.34Š| ||
| 165 | K | 45.9 | Very low | 45.4 | Very low | 202 Ų | 202 | 125.9 Ų | 125.9 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | -54.9 | 130.9 | -177.1 | -173 | 178.5 | -176.3 | 179.5 | 0 | 113.4 | ||||
| 166 | G | 37.8 | Very low | 44.6 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | -151.3 | 116.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | A168 | G166-A168 PolarHBondContact O-N 3.23Š| ||
| 167 | E | 42.9 | Very low | 44.2 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | trans | -78.6 | 115.6 | -161.4 | -169.3 | 176.6 | 108 | 0 | 0 | 112.9 | R169 | E167-R169 HydrophobicContact CG-CG 4.19Å; E167-R169 IonicContact OE1-CZ 2.77Å; E167-R169 IonicContact OE1-NE 3.46Å; E167-R169 PolarHBondContact OE1-NE 2.89Å; E167-R169 IonicContact OE1-NH2 3.38Å; E167-R169 PolarHBondContact OE1-NH2 2.94Å | ||
| 168 | A | 41.9 | Very low | 43.9 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | -118.5 | 104.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | G166 C170 | G166-A168 PolarHBondContact O-N 3.23Å; A168-C170 PolarHBondContact O-N 3.35Å | ||
| 169 | R | 41.5 | Very low | 43.9 | Very low | 216 Ų | 216 | 136.4 Ų | 136.4 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -80.6 | 95.8 | 178.2 | -54.1 | 177.7 | -163.6 | 164.2 | 4.1 | 108.5 | E167 | E167-R169 HydrophobicContact CG-CG 4.19Å; E167-R169 IonicContact OE1-CZ 2.77Å; E167-R169 IonicContact OE1-NE 3.46Å; E167-R169 PolarHBondContact OE1-NE 2.89Å; E167-R169 IonicContact OE1-NH2 3.38Å; E167-R169 PolarHBondContact OE1-NH2 2.94Å | ||
| 170 | C | 34.2 | Very low | 44 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 125.9 | 167.8 | -162.6 | 0 | 0 | 0 | 0 | 107.9 | A168 | A168-C170 PolarHBondContact O-N 3.35Š| ||
| 171 | S | 40.5 | Very low | 43.7 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -78.8 | 125.7 | 169.8 | -155.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 172 | S | 43.1 | Very low | 43.6 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -108.6 | 142.5 | 162.8 | -163.1 | 0 | 0 | 0 | 0 | 106.9 | D174 | S172-D174 VanDerWaalsContact C-OD2 3.32Å; S172-D174 WeakPolarHBondContact CB-OD2 3.32Å; S172-D174 PolarHBondContact OG-OD2 3.46Å | ||
| 173 | E | 48 | Very low | 43.6 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -109.4 | 98.8 | -175.4 | -68.9 | 175.7 | 97.3 | 0 | 0 | 108.6 | ||||
| 174 | D | 47.1 | Very low | 44 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -153.2 | 137.3 | -173.8 | -41.6 | -111.6 | 0 | 0 | 0 | 108.9 | S172 | S172-D174 VanDerWaalsContact C-OD2 3.32Å; S172-D174 WeakPolarHBondContact CB-OD2 3.32Å; S172-D174 PolarHBondContact OG-OD2 3.46Å | ||
| 175 | D | 45.7 | Very low | 44.1 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | cis | -157.5 | 160.7 | -23.8 | -168.4 | -161.8 | 0 | 0 | 0 | 109.9 | ||||
| 176 | D | 44.6 | Very low | 44.7 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 43.2 | 135.1 | 168.4 | -158.9 | -136.5 | 0 | 0 | 0 | 124.3 | ||||
| 177 | S | 46.7 | Very low | 44.6 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | 23.6 | 128.2 | 152.3 | -63.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 178 | K | 48.9 | Very low | 44.7 | Very low | 207 Ų | 207 | 136.1 Ų | 136.1 | 90% | 0.9 | 79% | 0.794 | S | S | * | * | -156.9 | 146.1 | 104.7 | -86.9 | -126.1 | 176.5 | -177.6 | 0 | 114.5 | |||||
| 179 | E | 50.1 | Low | 44.9 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -56.1 | 134.8 | 168.9 | 166.8 | -173.4 | 57.6 | 0 | 0 | 113.8 | ||||
| 180 | S | 45 | Very low | 44.9 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -164.5 | 132.5 | 142.8 | -82.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 181 | T | 43.2 | Very low | 45.3 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -87.6 | 143.2 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 182 | C | 39.3 | Very low | 45.7 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -166.4 | 151.9 | 144.5 | -115.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 183 | S | 39.4 | Very low | 46.2 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -78.6 | 158.5 | -168.3 | -61.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 184 | P | 55.6 | Low | 47.1 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -79 | 154.5 | 178.9 | 33 | -36.8 | 0 | 0 | 0 | 113.5 | ||||
| 185 | T | 45.5 | Very low | 47.7 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -126.9 | 120.8 | 165.6 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 186 | P | 58 | Low | 47.9 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -88.6 | 172.5 | 172.6 | 36.6 | -34.8 | 0 | 0 | 0 | 112.6 | ||||
| 187 | D | 35.8 | Very low | 48.5 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 71.8 | 120.8 | 167.1 | -149.1 | -93.7 | 0 | 0 | 0 | 119.7 | ||||
| 188 | S | 44.7 | Very low | 48.7 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -157.2 | 108.3 | 137.7 | -81.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 189 | T | 46 | Very low | 48.5 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | trans | -49.8 | 138.2 | 166.5 | 177.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 190 | A | 41.5 | Very low | 48.3 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -173.5 | 117.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 191 | S | 43.7 | Very low | 48.1 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 37.9 | 133.4 | 139.3 | -56.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 192 | L | 47.4 | Very low | 48.2 | Very low | 157 Ų | 157 | 123.3 Ų | 123.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -73.6 | 171.1 | 170.7 | -59.2 | 170 | 0 | 0 | 0 | 113.6 | ||||
| 193 | P | 53.8 | Low | 48.9 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -129.6 | 156.3 | 103 | 37.6 | -33 | 0 | 0 | 0 | 115 | |||||
| 194 | P | 67.9 | Low | 48.6 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 163.3 | -175.6 | 35.7 | -37 | 0 | 0 | 0 | 114.7 | ||
| 195 | P | 59.6 | Low | 47.8 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 153.9 | 176.8 | 33.5 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 196 | P | 50.1 | Low | 47.4 | Very low | 134 Ų | 134 | 130.8 Ų | 130.8 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 142.5 | 178 | 31.7 | -34.8 | 0 | 0 | 0 | 113.3 | ||
| 197 | A | 55.8 | Low | 47.1 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -106 | 158.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 198 | P | 50.6 | Low | 47.1 | Very low | 133 Ų | 133 | 129 Ų | 129 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.2 | -168.3 | 30.9 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 199 | S | 45.8 | Very low | 47.4 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 124.9 | 176.1 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 200 | L | 46.3 | Very low | 47.2 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85 | 116.2 | 173.7 | -177.1 | 74.2 | 0 | 0 | 0 | 109.6 | ||
| 201 | A | 40.2 | Very low | 47.5 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -143 | 112.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 202 | S | 44.5 | Very low | 47.2 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -154.4 | 157.5 | 161.4 | -80.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 203 | P | 54.5 | Low | 46.5 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | -133.6 | -177.2 | 19 | 43 | -28.2 | 0 | 0 | 0 | 114.6 | ||||
| 204 | R | 33.7 | Very low | 45.7 | Very low | 246 Ų | 246 | 131.4 Ų | 131.4 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -164.2 | 166.9 | 135.9 | -114 | 165.3 | 169.4 | -86.7 | -3.7 | 113.6 | ||||
| 205 | L | 39.3 | Very low | 44 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -117.7 | 149.3 | -164.3 | -60.8 | 161.1 | 0 | 0 | 0 | 112.3 | ||||
| 206 | S | 36.5 | Very low | 42.9 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -164.1 | 150.6 | 149.7 | -152.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 207 | P | 51.6 | Low | 42.2 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -123.7 | 173.4 | -170.5 | 42.6 | -31.4 | 0 | 0 | 0 | 117.4 | ||||
| 208 | S | 36.1 | Very low | 41.7 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | 72.3 | 163.3 | 158.8 | -67.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 209 | P | 50.5 | Low | 40.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | cis | -125.5 | -172.8 | -3.1 | 34.9 | -15.3 | 0 | 0 | 0 | 115.5 | ||||
| 210 | L | 41 | Very low | 41.3 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -87.3 | 176.4 | 175.5 | -63.2 | 84.2 | 0 | 0 | 0 | 113 | ||||
| 211 | P | 48.3 | Very low | 41.1 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -133.9 | -177.4 | 101.4 | 39.7 | -31 | 0 | 0 | 0 | 114.4 | |||||
| 212 | A | 37.2 | Very low | 41.3 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -139.7 | 155.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 213 | A | 33.7 | Very low | 40.8 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -157.3 | 133.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 214 | L | 36.3 | Very low | 40 | Very low | 183 Ų | 183 | 129 Ų | 129 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | 98.9 | 119.2 | 50.3 | -152.4 | 87.1 | 0 | 0 | 0 | 111.5 | |||||
| 215 | G | 32.5 | Very low | 40.1 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 145.3 | 94.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 216 | S | 36.3 | Very low | 40 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 29.7 | 134.1 | 142.1 | -48.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 217 | G | 35.4 | Very low | 40 | Very low | 70 Ų | 70 | 120 Ų | 120 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -93.4 | -157.1 | 151 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 218 | P | 44.9 | Very low | 39.3 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 93% | 0.929 | 80% | 0.799 | S | S | * | * | cis | -112 | -148.9 | 2.6 | 45.6 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 219 | G | 34.4 | Very low | 39.3 | Very low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | cis | -179.1 | 159.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 220 | P | 53.8 | Low | 38.5 | Very low | 63 Ų | 63 | 123.5 Ų | 123.5 | 41% | 0.409 | 80% | 0.799 | S | S | . | * | trans | -132.2 | 162.3 | -164.5 | 42.7 | -28.5 | 0 | 0 | 0 | 117.8 | P69 | P69-P220 HydrophobicContact CB-CG 3.98Å; P69-P220 HydrophobicContact CG-CB 3.97Å; P69-P220 HydrophobicContact CG-CG 3.9Å; P69-P220 VanDerWaalsContact O-CB 3.27Å; P69-P220 WeakPolarHBondContact O-CB 3.35Å; P69-P220 WeakPolarHBondContact O-CG 3.33Å | ||
| 221 | Q | 42.4 | Very low | 38.3 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -153.4 | 165.6 | 154.6 | -81 | -43.9 | -25.5 | 0 | 0 | 110.6 | ||||
| 222 | P | 43.3 | Very low | 37.9 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 61% | 0.61 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 164.5 | -138.4 | 41.4 | -32.5 | 0 | 0 | 0 | 116.2 | ||||
| 223 | L | 35.2 | Very low | 37.9 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | trans | -102.1 | 150.5 | 167.1 | -66.9 | 175.3 | 0 | 0 | 0 | 111.5 | ||||
| 224 | K | 37.9 | Very low | 37.9 | Very low | 203 Ų | 203 | 120.7 Ų | 120.7 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -111.9 | 134.9 | -176 | 46.7 | -169.3 | 168.2 | -175.3 | 0 | 109.7 | ||||
| 225 | G | 36 | Very low | 37.9 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 150.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 226 | A | 37.7 | Very low | 38 | Very low | 101 Ų | 101 | 116.7 Ų | 116.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 122.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 227 | L | 34.8 | Very low | 37.7 | Very low | 167 Ų | 167 | 114.9 Ų | 114.9 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 148.9 | 156.2 | -90.1 | 61.4 | 0 | 0 | 0 | 108.6 | ||
| 228 | W | 37 | Very low | 37.6 | Very low | 245 Ų | 245 | 115 Ų | 115 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -116.4 | 116.4 | 158.4 | 67.7 | -81.6 | 0 | 0 | 0 | 108.3 | ||||
| 229 | A | 35.7 | Very low | 38 | Very low | 89 Ų | 89 | 114.8 Ų | 114.8 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -158.9 | 128.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 230 | G | 35.3 | Very low | 38 | Very low | 84 Ų | 84 | 115 Ų | 115 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 74.6 | 108.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 231 | V | 36.1 | Very low | 37.2 | Very low | 152 Ų | 152 | 117.5 Ų | 117.5 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | trans | -123.3 | 132.6 | 141.5 | 62.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 232 | A | 40.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 114 Ų | 114 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | trans | -146.3 | 145.6 | -176 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 233 | G | 37.5 | Very low | 37 | Very low | 88 Ų | 88 | 115 Ų | 115 | 91% | 0.907 | 86% | 0.861 | S | S | * | * | trans | 73.2 | 112.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 234 | G | 33.3 | Very low | 37.5 | Very low | 86 Ų | 86 | 110.5 Ų | 110.5 | 89% | 0.887 | 85% | 0.851 | S | S | * | * | trans | 176.1 | 120.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 235 | G | 36.5 | Very low | 37.9 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | -171.9 | 175 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 236 | G | 34.5 | Very low | 38.4 | Very low | 85 Ų | 85 | 113 Ų | 113 | 88% | 0.876 | 85% | 0.848 | S | S | * | * | trans | 138.3 | 137.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 237 | G | 30.5 | Very low | 39 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 91% | 0.907 | 85% | 0.853 | S | S | * | * | trans | 120.7 | 111.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 238 | G | 32.9 | Very low | 39.6 | Very low | 73 Ų | 73 | 117.9 Ų | 117.9 | 75% | 0.753 | 85% | 0.851 | S | S | * | * | trans | -123.7 | -154.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 239 | P | 54.1 | Low | 40 | Very low | 138 Ų | 138 | 110.3 Ų | 110.3 | 90% | 0.896 | 84% | 0.84 | S | S | * | * | cis | -133.6 | -179.5 | -6.1 | 42 | -26.9 | 0 | 0 | 0 | 113.9 | ||||
| 240 | G | 33 | Very low | 40.5 | Very low | 70 Ų | 70 | 118.1 Ų | 118.1 | 72% | 0.722 | 85% | 0.851 | S | S | * | * | trans | 130.2 | 146.5 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 241 | A | 38.1 | Very low | 41 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 95% | 0.95 | 85% | 0.848 | S | S | * | * | trans | 64.6 | 151 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 242 | G | 39.9 | Very low | 41.4 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | trans | 122.9 | -1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | A244 | G242-A244 VanDerWaalsContact C-N 3.28Å; G242-A244 PolarHBondContact O-N 2.94Å | ||
| 243 | A | 41.1 | Very low | 41.7 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 95% | 0.95 | 85% | 0.845 | S | S | * | * | trans | -78.6 | 29.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 244 | A | 46.4 | Very low | 42.5 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -153.2 | 40.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | G242 | G242-A244 VanDerWaalsContact C-N 3.28Å; G242-A244 PolarHBondContact O-N 2.94Å |
| 245 | E | 44.8 | Very low | 43.3 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -151.6 | 27.2 | 177.6 | -115.1 | -77.2 | 77.9 | 0 | 0 | 115.3 | ||
| 246 | L | 47.1 | Very low | 44.3 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -128.9 | 29.9 | -178.4 | -69.4 | 173.3 | 0 | 0 | 0 | 114.5 | ||||
| 247 | L | 49.7 | Very low | 45.3 | Very low | 178 Ų | 178 | 128.5 Ų | 128.5 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -110.8 | 15 | -176.6 | -65.3 | 171.4 | 0 | 0 | 0 | 113.9 | ||
| 248 | K | 47.5 | Very low | 46.3 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -140.4 | 28.2 | -170.2 | -149.5 | 172.9 | 177.4 | 62.8 | 0 | 115.9 | ||
| 249 | A | 46.8 | Very low | 47.7 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -129.7 | 20.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 250 | W | 45.8 | Very low | 47.6 | Very low | 253 Ų | 253 | 132 Ų | 132 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -141.1 | 98.8 | 165.3 | -94.5 | 86.8 | 0 | 0 | 0 | 110.2 | ||||
| 251 | Q | 45.5 | Very low | 48.7 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -105.5 | 144.9 | 161 | -72.4 | -175.4 | 72.3 | 0 | 0 | 108.1 | ||||
| 252 | P | 44.8 | Very low | 49.5 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.7 | 170.3 | 29.2 | -33.8 | 0 | 0 | 0 | 109.6 | ||
| 253 | A | 45 | Very low | 50.4 | Low | 100 Ų | 100 | 135.7 Ų | 135.7 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 139.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 254 | E | 54.9 | Low | 50.9 | Low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.5 | 173.9 | -73 | -74.4 | 108.1 | 0 | 0 | 111.9 | G256 | E254-G256 PolarHBondContact O-N 2.91Š|
| 255 | P | 51.3 | Low | 50.8 | Low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -75.8 | 81.4 | 179.7 | 31.7 | -35.3 | 0 | 0 | 0 | 111.9 | ||||
| 256 | G | 55.7 | Low | 51 | Low | 64 Ų | 64 | 136.2 Ų | 136.2 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E254 G258 | E254-G256 PolarHBondContact O-N 2.91Å; G256-G258 PolarHBondContact O-N 2.9Å |
| 257 | P | 57.2 | Low | 50.9 | Low | 134 Ų | 134 | 137.8 Ų | 137.8 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120.7 | -175.1 | 27.9 | -34.4 | 0 | 0 | 0 | 112.5 | ||
| 258 | G | 50.9 | Low | 50.8 | Low | 54 Ų | 54 | 137.9 Ų | 137.9 | 56% | 0.557 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 149.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G256 F260 | G256-G258 PolarHBondContact O-N 2.9Å; G258-F260 PolarHBondContact O-N 3.09Å |
| 259 | P | 61.2 | Low | 51 | Low | 126 Ų | 126 | 140.5 Ų | 140.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 20.7 | -165.9 | 32.3 | -38.5 | 0 | 0 | 0 | 116.1 | ||
| 260 | F | 53.3 | Low | 51.5 | Low | 194 Ų | 194 | 145.5 Ų | 145.5 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | 11.1 | -177.6 | -74.3 | -75.9 | 0 | 0 | 0 | 114.7 | G258 G262 | G258-F260 PolarHBondContact O-N 3.09Å; F260-G262 PolarHBondContact O-N 3.1Å |
| 261 | S | 54.8 | Low | 52 | Low | 129 Ų | 129 | 139 Ų | 139 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -76.2 | 73.3 | 169.4 | -164.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 262 | G | 56.4 | Low | 52.4 | Low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -166.7 | 33.2 | -161.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | F260 | F260-G262 PolarHBondContact O-N 3.1Š| ||
| 263 | V | 57.6 | Low | 53.1 | Low | 137 Ų | 137 | 134.2 Ų | 134.2 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -176.7 | 114.3 | 147.1 | 140.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 264 | L | 52.6 | Low | 53.6 | Low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 161.9 | 74.3 | 148.3 | -92.2 | 166.3 | 0 | 0 | 0 | 110 | ||||
| 265 | S | 44.1 | Very low | 53.7 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | trans | -157.3 | 82.5 | 170.6 | -87 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 266 | S | 49.6 | Very low | 53.8 | Low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -164.4 | 86.4 | 143.8 | -164.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 267 | F | 44.9 | Very low | 54.1 | Low | 201 Ų | 201 | 138.9 Ų | 138.9 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -127.4 | 83.5 | 157.5 | -83 | -66.8 | 0 | 0 | 0 | 108.9 | R269 | F267-R269 PolarHBondContact O-N 3.34Š| ||
| 268 | H | 47.2 | Very low | 53.9 | Low | 181 Ų | 181 | 140.6 Ų | 140.6 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -61 | 101.7 | 170.5 | -90.4 | 52.4 | 0 | 0 | 0 | 110.2 | K270 | H268-K270 PolarHBondContact O-N 3.4Å; H268-K270 VanDerWaalsContact O-N 3.07Å | ||
| 269 | R | 51.8 | Low | 53.9 | Low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -75.6 | 93.6 | 164.5 | -80.2 | -165.2 | 172.4 | -153.8 | -1.1 | 109.5 | F267 | F267-R269 PolarHBondContact O-N 3.34Š| ||
| 270 | K | 58 | Low | 53.8 | Low | 190 Ų | 190 | 153.4 Ų | 153.4 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.8 | 172.8 | -174.6 | 176.2 | -177.2 | 176.6 | 0 | 110.4 | H268 | H268-K270 PolarHBondContact O-N 3.4Å; H268-K270 VanDerWaalsContact O-N 3.07Å |
| 271 | P | 55.6 | Low | 53.8 | Low | 118 Ų | 118 | 151.4 Ų | 151.4 | 77% | 0.766 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 133.5 | 174.2 | 27.9 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 272 | G | 52.8 | Low | 53.7 | Low | 69 Ų | 69 | 152.5 Ų | 152.5 | 71% | 0.711 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 141.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 273 | P | 61.1 | Low | 53.6 | Low | 126 Ų | 126 | 157.3 Ų | 157.3 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 145.7 | 178.2 | 31.5 | -34.9 | 0 | 0 | 0 | 112 | ||
| 274 | A | 54.4 | Low | 53.3 | Low | 95 Ų | 95 | 158.5 Ų | 158.5 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 128.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 275 | L | 56.9 | Low | 53.4 | Low | 151 Ų | 151 | 158.3 Ų | 158.3 | 79% | 0.791 | 85% | 0.845 | S | S | * | * | trans | -132.8 | 100.6 | 161.9 | -66.9 | 175.1 | 0 | 0 | 0 | 106.2 | ||||
| 276 | K | 52.9 | Low | 54 | Low | 187 Ų | 187 | 160.3 Ų | 160.3 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | 89.1 | 111.4 | 83.6 | -87.3 | -175.3 | 178.2 | 179.7 | 0 | 111.9 | |||||
| 277 | T | 62.5 | Low | 54.3 | Low | 128 Ų | 128 | 165.1 Ų | 165.1 | 79% | 0.785 | 86% | 0.855 | S | S | * | * | trans | -47.8 | 140.7 | 166.1 | 48.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 278 | N | 52.8 | Low | 55 | Low | 169 Ų | 169 | 162.3 Ų | 162.3 | 90% | 0.904 | 85% | 0.852 | S | S | * | * | trans | -143.7 | 125.6 | 137.3 | -86.6 | -46 | 0 | 0 | 0 | 107.5 | ||||
| 279 | L | 52.2 | Low | 55.7 | Low | 168 Ų | 168 | 160.8 Ų | 160.8 | 88% | 0.88 | 85% | 0.854 | S | S | * | * | trans | -141.8 | 92.5 | 175.3 | -174.9 | 79.6 | 0 | 0 | 0 | 107.2 | ||||
| 280 | F | 57.4 | Low | 56 | Low | 281 Ų | 281 | 152.9 Ų | 152.9 | 100% | 1.232 | 85% | 0.847 | S | S | * | * | trans | -162.5 | 0 | 167.2 | -127.1 | -78.3 | 0 | 0 | 0 | 108.6 |
Retrieved 280 of 280 residues in 51.8 ms
(Link to these results)