| 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 | 41.8 | Very low | 49.8 | Very low | 244 Ų | 244 | 166.6 Ų | 166.6 | 100% | 1.202 | 79% | 0.794 | S | S | * | * | 0 | 98.4 | 0 | -89.6 | 123.5 | 85.8 | 0 | 0 | 108.7 | |||||
| 2 | Y | 42.1 | Very low | 50.4 | Low | 242 Ų | 242 | 159.1 Ų | 159.1 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | trans | -93.5 | 122.1 | 168.9 | -84.4 | -86.7 | 0 | 0 | 0 | 108.2 | ||||
| 3 | K | 46.2 | Very low | 50.9 | Low | 176 Ų | 176 | 151.5 Ų | 151.5 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | trans | -87.8 | 106.7 | 174.6 | -134 | -177.7 | 175.1 | -145.5 | 0 | 107.1 | E5 | K3-E5 WeakPolarHBondContact CD-OE1 3.44Å; K3-E5 WeakPolarHBondContact CE-OE1 3.48Å; K3-E5 IonicContact NZ-OE1 2.76Å; K3-E5 PolarHBondContact NZ-OE1 3.44Å; K3-E5 PolarHBondContact O-N 3.31Å | ||
| 4 | M | 56.5 | Low | 51.1 | Low | 169 Ų | 169 | 152.6 Ų | 152.6 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | trans | -84 | 99.5 | 165.9 | -89.4 | -110.5 | -104.1 | 0 | 0 | 107.3 | Y6 | M4-Y6 PolarHBondContact O-N 3.08Š| ||
| 5 | E | 53.7 | Low | 51.3 | Low | 139 Ų | 139 | 152.1 Ų | 152.1 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | -75.2 | 113 | 170.6 | -67.8 | -77.1 | 159.6 | 0 | 0 | 107.8 | K3 S7 | K3-E5 WeakPolarHBondContact CD-OE1 3.44Å; K3-E5 WeakPolarHBondContact CE-OE1 3.48Å; K3-E5 IonicContact NZ-OE1 2.76Å; K3-E5 PolarHBondContact NZ-OE1 3.44Å; K3-E5 PolarHBondContact O-N 3.31Å; E5-S7 PolarHBondContact O-N 2.64Å | ||
| 6 | Y | 44.7 | Very low | 51.6 | Low | 197 Ų | 197 | 148.5 Ų | 148.5 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | trans | -77.6 | 97.2 | -178.6 | -116.6 | -98.5 | 0 | 0 | 0 | 109.6 | M4 Y8 | M4-Y6 PolarHBondContact O-N 3.08Å; Y6-Y8 PolarHBondContact O-N 2.76Å | ||
| 7 | S | 50.9 | Low | 51.8 | Low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -79.3 | 48.9 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | E5 | E5-S7 PolarHBondContact O-N 2.64Š| ||
| 8 | Y | 50.3 | Low | 52.1 | Low | 205 Ų | 205 | 142.9 Ų | 142.9 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -112.2 | 23.9 | -177.7 | -113.4 | -78.1 | 0 | 0 | 0 | 114.9 | Y6 | Y6-Y8 PolarHBondContact O-N 2.76Š| ||
| 9 | L | 51.1 | Low | 52.5 | Low | 155 Ų | 155 | 140 Ų | 140 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | trans | -115.3 | 75.2 | 167 | -81.7 | 156.9 | 0 | 0 | 0 | 109.3 | S11 | L9-S11 PolarHBondContact O-N 3.49Š| ||
| 10 | N | 53.2 | Low | 52.3 | Low | 117 Ų | 117 | 136 Ų | 136 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | trans | -73.9 | 72.6 | 160 | -170.1 | 40.6 | 0 | 0 | 0 | 108.6 | S12 A13 | N10-S12 PolarHBondContact O-N 2.97Å; N10-S12 PolarHBondContact OD1-OG 2.76Å; N10-A13 WeakPolarHBondContact ND2-CB 3.45Å | ||
| 11 | S | 57.3 | Low | 52.4 | Low | 70 Ų | 70 | 136.3 Ų | 136.3 | 49% | 0.49 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -62.9 | -21.6 | 177.9 | -83 | 0 | 0 | 0 | 0 | 113.3 | L9 A13 Y14 E15 | L9-S11 PolarHBondContact O-N 3.49Å; S11-A13 PolarHBondContact O-N 3.42Å; S11-Y14 PolarHBondContact O-N 2.99Å; S11-E15 PolarHBondContact O-N 3.13Å; S11-E15 VanDerWaalsContact O-N 3.16Å |
| 12 | S | 57.6 | Low | 52.7 | Low | 76 Ų | 76 | 129.8 Ų | 129.8 | 53% | 0.531 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -70.6 | -32.3 | -174.8 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | N10 Y14 S16 | N10-S12 PolarHBondContact O-N 2.97Å; N10-S12 PolarHBondContact OD1-OG 2.76Å; S12-Y14 VanDerWaalsContact C-N 3.34Å; S12-S16 WeakPolarHBondContact O-CB 3.47Å; S12-S16 PolarHBondContact O-N 3.35Å |
| 13 | A | 56.9 | Low | 53.3 | Low | 60 Ų | 60 | 124.1 Ų | 124.1 | 50% | 0.496 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -74.2 | -26.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | N10 S11 | N10-A13 WeakPolarHBondContact ND2-CB 3.45Å; S11-A13 PolarHBondContact O-N 3.42Å |
| 14 | Y | 53.1 | Low | 53.5 | Low | 168 Ų | 168 | 119.7 Ų | 119.7 | 66% | 0.659 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83 | -34.7 | 178.5 | -159.4 | -91.2 | 0 | 0 | 0 | 112 | S11 S12 C17 M18 | S11-Y14 PolarHBondContact O-N 2.99Å; S12-Y14 VanDerWaalsContact C-N 3.34Å; Y14-C17 PolarHBondContact O-SG 2.99Å; Y14-M18 HydrophobicContact CD1-CG 4.31Å; Y14-M18 HydrophobicContact CE1-CG 4.09Å; Y14-M18 HydrophobicContact CE1-SD 4.25Å; Y14-M18 WeakPolarHBondContact O-CG 3.26Å; Y14-M18 PolarHBondContact O-N 3.4Å |
| 15 | E | 53.9 | Low | 53.4 | Low | 145 Ų | 145 | 115.5 Ų | 115.5 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.7 | -37.2 | 172.7 | -81.7 | -173.6 | 123.4 | 0 | 0 | 112.1 | S11 C17 M18 A19 | S11-E15 PolarHBondContact O-N 3.13Å; S11-E15 VanDerWaalsContact O-N 3.16Å; E15-C17 VanDerWaalsContact C-N 3.32Å; E15-C17 PolarHBondContact O-N 3.14Å; E15-M18 PolarHBondContact O-N 2.98Å; E15-A19 VanDerWaalsContact O-CB 3.31Å; E15-A19 WeakPolarHBondContact O-CB 3.42Å; E15-A19 PolarHBondContact O-N 3.08Å |
| 16 | S | 56.8 | Low | 53.3 | Low | 94 Ų | 94 | 113.9 Ų | 113.9 | 66% | 0.657 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.4 | -24.4 | -178.3 | -156.7 | 0 | 0 | 0 | 0 | 113.9 | S12 | S12-S16 WeakPolarHBondContact O-CB 3.47Å; S12-S16 PolarHBondContact O-N 3.35Å |
| 17 | C | 55.2 | Low | 53.4 | Low | 84 Ų | 84 | 107.8 Ų | 107.8 | 57% | 0.568 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85 | -25.3 | 174.3 | 77 | 0 | 0 | 0 | 0 | 112.9 | Y14 E15 | Y14-C17 PolarHBondContact O-SG 2.99Å; E15-C17 VanDerWaalsContact C-N 3.32Å; E15-C17 PolarHBondContact O-N 3.14Å |
| 18 | M | 56.9 | Low | 53.3 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 56% | 0.557 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -83.5 | -23.7 | 175.2 | -68.6 | -111.9 | 72.8 | 0 | 0 | 112.9 | Y14 E15 | Y14-M18 HydrophobicContact CD1-CG 4.31Å; Y14-M18 HydrophobicContact CE1-CG 4.09Å; Y14-M18 HydrophobicContact CE1-SD 4.25Å; Y14-M18 WeakPolarHBondContact O-CG 3.26Å; Y14-M18 PolarHBondContact O-N 3.4Å; E15-M18 PolarHBondContact O-N 2.98Å |
| 19 | A | 58.8 | Low | 53.1 | Low | 87 Ų | 87 | 100 Ų | 100 | 72% | 0.719 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -10.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E15 | E15-A19 VanDerWaalsContact O-CB 3.31Å; E15-A19 WeakPolarHBondContact O-CB 3.42Å; E15-A19 PolarHBondContact O-N 3.08Å |
| 20 | G | 49.5 | Very low | 52.8 | Low | 59 Ų | 59 | 101.2 Ų | 101.2 | 61% | 0.608 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 3.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 21 | M | 54.4 | Low | 52.6 | Low | 144 Ų | 144 | 99 Ų | 99 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -92.9 | 101.2 | 173.3 | -74 | 177.9 | 149.8 | 0 | 0 | 109.2 | T23 | M21-T23 PolarHBondContact O-N 3.44Å; M21-T23 VanDerWaalsContact O-N 3.12Å |
| 22 | D | 48.1 | Very low | 52.1 | Low | 106 Ų | 106 | 103 Ų | 103 | 57% | 0.567 | 62% | 0.624 | S | S | * | * | trans | -51.6 | 109.8 | 171.3 | 38.8 | -70.2 | 0 | 0 | 0 | 111.5 | S24 S25 | D22-S24 PolarHBondContact O-N 2.95Å; D22-S24 VanDerWaalsContact O-N 3.07Å; D22-S25 PolarHBondContact O-N 3.24Å; D22-S25 VanDerWaalsContact O-N 3.09Å | ||
| 23 | T | 54.6 | Low | 51.4 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 76% | 0.761 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.4 | -12.2 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | M21 A27 | M21-T23 PolarHBondContact O-N 3.44Å; M21-T23 VanDerWaalsContact O-N 3.12Å; T23-A27 PolarHBondContact O-N 3.26Å |
| 24 | S | 50.8 | Low | 51.1 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.4 | -30.9 | 172.1 | 40.1 | 0 | 0 | 0 | 0 | 113.3 | D22 | D22-S24 PolarHBondContact O-N 2.95Å; D22-S24 VanDerWaalsContact O-N 3.07Å |
| 25 | S | 52.9 | Low | 50.4 | Low | 80 Ų | 80 | 108 Ų | 108 | 56% | 0.559 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -81.3 | -18.8 | 179.9 | -160.3 | 0 | 0 | 0 | 0 | 113.2 | D22 | D22-S25 PolarHBondContact O-N 3.24Å; D22-S25 VanDerWaalsContact O-N 3.09Å |
| 26 | L | 51.8 | Low | 49.7 | Very low | 106 Ų | 106 | 107.7 Ų | 107.7 | 56% | 0.555 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -82 | -32.9 | 175 | -164.9 | 65.7 | 0 | 0 | 0 | 112 | S28 A29 Y30 | L26-S28 VanDerWaalsContact C-N 3.25Å; L26-S28 PolarHBondContact O-N 3.47Å; L26-A29 PolarHBondContact O-N 3.46Å; L26-Y30 HydrophobicContact CD1-CD2 4.14Å; L26-Y30 HydrophobicContact CD1-CE2 3.62Å; L26-Y30 HydrophobicContact CD2-CE2 4.27Å; L26-Y30 HydrophobicContact CG-CD2 3.93Å; L26-Y30 HydrophobicContact CG-CE2 3.75Å; L26-Y30 WeakPolarHBondContact O-CD2 3.43Å; L26-Y30 PolarHBondContact O-N 3.22Å |
| 27 | A | 47.1 | Very low | 49.7 | Very low | 68 Ų | 68 | 107.4 Ų | 107.4 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.1 | -31.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T23 A31 | T23-A27 PolarHBondContact O-N 3.26Å; A27-A31 PolarHBondContact O-N 2.9Å |
| 28 | S | 48.5 | Very low | 49.1 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.8 | -24 | 176.2 | -63.2 | 0 | 0 | 0 | 0 | 114 | L26 | L26-S28 VanDerWaalsContact C-N 3.25Å; L26-S28 PolarHBondContact O-N 3.47Å |
| 29 | A | 47 | Very low | 48.7 | Very low | 74 Ų | 74 | 111.6 Ų | 111.6 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -83.8 | -15.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L26 | L26-A29 PolarHBondContact O-N 3.46Å |
| 30 | Y | 43.7 | Very low | 48.1 | Very low | 179 Ų | 179 | 113.1 Ų | 113.1 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -104.9 | -1.6 | 178.2 | -75.7 | -70.3 | 0 | 0 | 0 | 114.5 | L26 D32 | L26-Y30 HydrophobicContact CD1-CD2 4.14Å; L26-Y30 HydrophobicContact CD1-CE2 3.62Å; L26-Y30 HydrophobicContact CD2-CE2 4.27Å; L26-Y30 HydrophobicContact CG-CD2 3.93Å; L26-Y30 HydrophobicContact CG-CE2 3.75Å; L26-Y30 WeakPolarHBondContact O-CD2 3.43Å; L26-Y30 PolarHBondContact O-N 3.22Å; Y30-D32 PolarHBondContact O-N 3.49Å |
| 31 | A | 48.7 | Very low | 48.3 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -73.1 | -12.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A27 | A27-A31 PolarHBondContact O-N 2.9Š|
| 32 | D | 48.1 | Very low | 47.4 | Very low | 154 Ų | 154 | 116.4 Ų | 116.4 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -102.9 | 24.4 | -171.6 | -81.1 | -37.8 | 0 | 0 | 0 | 116 | Y30 | Y30-D32 PolarHBondContact O-N 3.49Š|
| 33 | F | 43.1 | Very low | 47.5 | Very low | 197 Ų | 197 | 120.6 Ų | 120.6 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -121.3 | 2.2 | 170.2 | -156.3 | -101.1 | 0 | 0 | 0 | 115.7 | ||
| 34 | S | 49.5 | Very low | 46.5 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -111.4 | 18.7 | -171.8 | -82.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 35 | S | 38.6 | Very low | 45.8 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -150.8 | 87.4 | 170 | -156.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 36 | C | 40.3 | Very low | 45.3 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | trans | -100.9 | 32.2 | 161.4 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 37 | S | 55.6 | Low | 44.8 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | trans | -119.6 | 78.4 | 164.6 | 67.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 38 | Q | 42.2 | Very low | 44.5 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -168.4 | 128 | 142.4 | -106 | 165 | 112.3 | 0 | 0 | 111.1 | ||||
| 39 | A | 49.7 | Very low | 43.9 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 125.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 40 | S | 46.7 | Very low | 43.9 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -179.5 | 145.8 | 140.6 | 21.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 41 | G | 52.4 | Low | 43.7 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 150.9 | -153.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 42 | F | 36.7 | Very low | 43.1 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 117.3 | 144.5 | -81.9 | -81.2 | 0 | 0 | 0 | 108.3 | Y44 | F42-Y44 PolarHBondContact O-N 3.39Š| ||
| 43 | Q | 48.7 | Very low | 43 | Very low | 194 Ų | 194 | 140.7 Ų | 140.7 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -69.7 | 122.6 | 172.6 | -70.8 | -172.1 | -52.4 | 0 | 0 | 109.2 | ||||
| 44 | Y | 34.1 | Very low | 43.2 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -125 | 121.8 | 150.2 | -94.2 | -87.2 | 0 | 0 | 0 | 108.6 | F42 | F42-Y44 PolarHBondContact O-N 3.39Š| ||
| 45 | N | 36.7 | Very low | 42.8 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -77.9 | 127.2 | -173.9 | -161.4 | 8.3 | 0 | 0 | 0 | 110.1 | ||||
| 46 | P | 42.8 | Very low | 42.9 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -85.4 | 123.6 | 175.5 | 31.7 | -31.6 | 0 | 0 | 0 | 111.1 | ||||
| 47 | I | 41.1 | Very low | 43 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -90.2 | 113 | 166.8 | -66 | -166 | 0 | 0 | 0 | 109.7 | ||||
| 48 | R | 40 | Very low | 42.8 | Very low | 206 Ų | 206 | 137.6 Ų | 137.6 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 71.8 | 118.8 | 166.3 | -66 | -178.1 | -176.8 | -78.9 | 0.2 | 115 | ||||
| 49 | T | 36.3 | Very low | 43 | Very low | 133 Ų | 133 | 134 Ų | 134 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | -151.4 | 128.6 | 68.2 | -51.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 50 | T | 47.8 | Very low | 42.7 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | -72.1 | 117.7 | 166.2 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 51 | F | 39.2 | Very low | 43.1 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -162.1 | 123.5 | 142 | -107.5 | -75.3 | 0 | 0 | 0 | 109.5 | ||||
| 52 | G | 35.8 | Very low | 43.1 | Very low | 75 Ų | 75 | 140.8 Ų | 140.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 82.5 | 106.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 53 | A | 46.1 | Very low | 43.5 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -69 | 164.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 54 | T | 46.8 | Very low | 43.1 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | 102.8 | 140 | 151.2 | 84.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 55 | S | 42.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 81 | 95.5 | -178.1 | 68 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 56 | G | 40.8 | Very low | 44.3 | Very low | 79 Ų | 79 | 123.5 Ų | 123.5 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 134.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 57 | C | 42 | Very low | 44.6 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 126.1 | 169.6 | -58.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 58 | P | 50.8 | Low | 44.9 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135.2 | 170.2 | 28 | -30.9 | 0 | 0 | 0 | 109.9 | L60 | P58-L60 PolarHBondContact O-N 3.08Š|
| 59 | S | 46.3 | Very low | 45 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.2 | 174.4 | -176 | 0 | 0 | 0 | 0 | 110.7 | T61 | S59-T61 PolarHBondContact O-N 2.95Š|
| 60 | L | 43.4 | Very low | 45.9 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -80.3 | 114 | 172.2 | -68.3 | 173 | 0 | 0 | 0 | 108.9 | P58 | P58-L60 PolarHBondContact O-N 3.08Š| ||
| 61 | T | 54.5 | Low | 46 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -71.6 | 153.2 | 167.3 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | S59 G63 | S59-T61 PolarHBondContact O-N 2.95Å; T61-G63 PolarHBondContact O-N 3.34Å | ||
| 62 | P | 53.9 | Low | 46.4 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -82.1 | 105.7 | 178.9 | 31.3 | -28.3 | 0 | 0 | 0 | 109 | ||
| 63 | G | 44.7 | Very low | 47 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -167 | 116 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T61 | T61-G63 PolarHBondContact O-N 3.34Š| ||
| 64 | S | 41 | Very low | 46.8 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 64.6 | 101.5 | 152.4 | -157.1 | 0 | 0 | 0 | 0 | 118.5 | S66 | S64-S66 PolarHBondContact O-N 3.46Å; S64-S66 PolarHBondContact OG-OG 2.9Å | ||
| 65 | C | 43.6 | Very low | 46.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 92% | 0.919 | 80% | 0.799 | S | S | * | * | trans | -69.2 | 90.9 | 159.1 | 49.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 66 | S | 50.7 | Low | 47.2 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -104.5 | 114.3 | 165.6 | -62.6 | 0 | 0 | 0 | 0 | 109.6 | S64 G68 | S64-S66 PolarHBondContact O-N 3.46Å; S64-S66 PolarHBondContact OG-OG 2.9Å; S66-G68 PolarHBondContact O-N 3.27Å | ||
| 67 | L | 49.6 | Very low | 48 | Very low | 181 Ų | 181 | 132 Ų | 132 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 119.9 | 176.2 | -151.3 | 125.8 | 0 | 0 | 0 | 109.4 | ||||
| 68 | G | 47.9 | Very low | 48.5 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 71.1 | 109 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | S66 | S66-G68 PolarHBondContact O-N 3.27Š| ||
| 69 | T | 42.5 | Very low | 48.8 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -147 | 129.9 | 137.5 | 39.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 70 | L | 53.8 | Low | 49.3 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -9.7 | 125.5 | 155.7 | -82.9 | 137.4 | 0 | 0 | 0 | 116.9 | ||||
| 71 | R | 50.5 | Low | 50 | Low | 244 Ų | 244 | 132 Ų | 132 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -123.9 | 113.9 | 148.6 | -169.3 | 68 | 116.3 | -174.6 | -0.1 | 109.8 | ||||
| 72 | D | 46.4 | Very low | 50.1 | Low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 79% | 0.787 | S | S | * | * | trans | -61.3 | 136.1 | 178.8 | -136.5 | -96.8 | 0 | 0 | 0 | 113 | ||||
| 73 | H | 50.2 | Low | 49.8 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | trans | 23.2 | 118.8 | 159 | -72.1 | -92.7 | 0 | 0 | 0 | 122.4 | ||||
| 74 | Q | 40.2 | Very low | 50.5 | Low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -130 | 112.2 | 131 | -85.3 | -86.6 | 18.9 | 0 | 0 | 107.8 | S76 | Q74-S76 PolarHBondContact O-N 3.38Š| ||
| 75 | S | 46.6 | Very low | 50.9 | Low | 100 Ų | 100 | 143.4 Ų | 143.4 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -66.5 | 111.7 | 179.3 | 41.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 76 | S | 51.9 | Low | 51.1 | Low | 94 Ų | 94 | 145.8 Ų | 145.8 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 123.4 | 163.3 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | Q74 Y78 | Q74-S76 PolarHBondContact O-N 3.38Å; S76-Y78 PolarHBondContact O-N 3.47Å; S76-Y78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | P | 57.4 | Low | 51.3 | Low | 131 Ų | 131 | 147.8 Ų | 147.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -83.6 | 27.4 | -171.5 | 34.6 | -35 | 0 | 0 | 0 | 114 | ||
| 78 | Y | 51.6 | Low | 51.2 | Low | 223 Ų | 223 | 145.4 Ų | 145.4 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -133.7 | 56.8 | 178.6 | -134.6 | -92.8 | 0 | 0 | 0 | 112.3 | S76 | S76-Y78 PolarHBondContact O-N 3.47Å; S76-Y78 VanDerWaalsContact O-N 3.08Å | ||
| 79 | A | 57.2 | Low | 51.3 | Low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -145.4 | 62.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 80 | A | 57.2 | Low | 51.7 | Low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -142.1 | 65.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 81 | V | 59 | Low | 51.5 | Low | 103 Ų | 103 | 141.7 Ų | 141.7 | 62% | 0.624 | 77% | 0.773 | S | S | * | * | trans | -91.2 | 121.4 | 147 | -67.9 | 0 | 0 | 0 | 0 | 106.9 | Y83 | V81-Y83 HydrophobicContact CG2-CD2 4.41Å; V81-Y83 HydrophobicContact CG2-CE2 3.83Å; V81-Y83 PolarHBondContact O-N 2.87Å | ||
| 82 | P | 55.9 | Low | 51.7 | Low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -71 | 103.8 | -177.7 | 28.1 | -31.6 | 0 | 0 | 0 | 108.7 | K84 | P82-K84 PolarHBondContact O-N 3.45Š| ||
| 83 | Y | 47.6 | Very low | 51.8 | Low | 206 Ų | 206 | 138 Ų | 138 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 66 | 166.5 | -69.7 | -81.5 | 0 | 0 | 0 | 110.1 | V81 | V81-Y83 HydrophobicContact CG2-CD2 4.41Å; V81-Y83 HydrophobicContact CG2-CE2 3.83Å; V81-Y83 PolarHBondContact O-N 2.87Å | ||
| 84 | K | 58.5 | Low | 52.1 | Low | 191 Ų | 191 | 138 Ų | 138 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -146.7 | 58.7 | 173 | -61.2 | -66.5 | 173.3 | -179.8 | 0 | 110.4 | P82 | P82-K84 PolarHBondContact O-N 3.45Š| ||
| 85 | L | 51.1 | Low | 52.8 | Low | 151 Ų | 151 | 137.9 Ų | 137.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -155.1 | 28.7 | 161.1 | -154.9 | 55 | 0 | 0 | 0 | 116.1 | ||||
| 86 | F | 46.6 | Very low | 53.4 | Low | 185 Ų | 185 | 144.2 Ų | 144.2 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -122.3 | 64 | 167 | -63.5 | -72.1 | 0 | 0 | 0 | 110.2 | H89 | F86-H89 AromaticContact CD1-NE2 3.92Š| ||
| 87 | T | 54.6 | Low | 53.9 | Low | 143 Ų | 143 | 149.3 Ų | 149.3 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -83 | 124.3 | 146.8 | -58.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 88 | D | 47.7 | Very low | 54.7 | Low | 131 Ų | 131 | 149.8 Ų | 149.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 88.6 | 87.7 | -179.5 | -142.5 | -64.6 | 0 | 0 | 0 | 117.1 | ||||
| 89 | H | 50.6 | Low | 56.2 | Low | 150 Ų | 150 | 149.9 Ų | 149.9 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -141.5 | 98.8 | 135.1 | -71 | -52.5 | 0 | 0 | 0 | 107.7 | F86 G91 | F86-H89 AromaticContact CD1-NE2 3.92Å; H89-G91 PolarHBondContact O-N 3.09Å | ||
| 90 | G | 51.8 | Low | 57.4 | Low | 68 Ų | 68 | 156 Ų | 156 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -51.4 | 135.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 91 | G | 49.7 | Very low | 58.9 | Low | 74 Ų | 74 | 158.1 Ų | 158.1 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 99.4 | -1.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | H89 | H89-G91 PolarHBondContact O-N 3.09Š|
| 92 | L | 54.8 | Low | 60.5 | Low | 139 Ų | 139 | 163.8 Ų | 163.8 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -125.3 | 11 | -170.7 | -60 | -179.3 | 0 | 0 | 0 | 117.6 | ||||
| 93 | N | 48.1 | Very low | 62.3 | Low | 148 Ų | 148 | 160.1 Ų | 160.1 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -98.5 | 9 | 177.7 | -74.7 | -57.9 | 0 | 0 | 0 | 115.3 | K95 | N93-K95 PolarHBondContact O-N 3.46Š| ||
| 94 | E | 56.3 | Low | 64.6 | Low | 160 Ų | 160 | 156.3 Ų | 156.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 7.2 | 179.9 | -145.5 | 67.6 | -162.2 | 0 | 0 | 114.1 | ||
| 95 | K | 54.1 | Low | 66.4 | Low | 187 Ų | 187 | 150.1 Ų | 150.1 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 0.9 | -177.4 | -67.3 | 172.4 | -179.5 | 171.9 | 0 | 113.7 | N93 K97 | N93-K95 PolarHBondContact O-N 3.46Å; K95-K97 VanDerWaalsContact C-N 3.26Å; K95-K97 PolarHBondContact O-N 3.35Å |
| 96 | R | 59.3 | Low | 68.7 | Low | 232 Ų | 232 | 146.7 Ų | 146.7 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -78.9 | 75.3 | 169.8 | -172.4 | 179 | -85.8 | 157.3 | -5.3 | 109.5 | Q98 | R96-Q98 PolarHBondContact O-N 3.16Å; R96-Q98 VanDerWaalsContact O-N 3.14Å |
| 97 | K | 62.6 | Low | 71.1 | Confident | 201 Ų | 201 | 141.7 Ų | 141.7 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | 24.5 | 75.7 | 168 | -88.9 | 167.8 | 175.7 | 170.1 | 0 | 114.1 | K95 R99 | K95-K97 VanDerWaalsContact C-N 3.26Å; K95-K97 PolarHBondContact O-N 3.35Å; K97-R99 PolarHBondContact O-N 3.25Å | ||
| 98 | Q | 74.4 | Confident | 73.2 | Confident | 142 Ų | 142 | 138.2 Ų | 138.2 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 116.7 | 168.6 | -173.3 | 63.4 | 4.1 | 0 | 0 | 108.6 | R96 R100 | R96-Q98 PolarHBondContact O-N 3.16Å; R96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-R100 PolarHBondContact O-N 3.49Å |
| 99 | R | 82.4 | Confident | 75.6 | Confident | 224 Ų | 224 | 133.3 Ų | 133.3 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.7 | 178.6 | -169.3 | 177.9 | -177.2 | -163.3 | 2.5 | 107.8 | K97 I101 | K97-R99 PolarHBondContact O-N 3.25Å; R99-I101 PolarHBondContact O-N 3.07Å |
| 100 | R | 83.4 | Confident | 77.9 | Confident | 226 Ų | 226 | 129 Ų | 129 | 85% | 0.853 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130.9 | 177.9 | -71.9 | -170.8 | -172.8 | -155.8 | 4.3 | 109.4 | Q98 R102 | Q98-R100 PolarHBondContact O-N 3.49Å; R100-R102 PolarHBondContact O-N 3.48Å |
| 101 | I | 88.6 | Confident | 80.1 | Confident | 140 Ų | 140 | 132.5 Ų | 132.5 | 72% | 0.718 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.8 | 177.8 | -57.5 | -59 | 0 | 0 | 0 | 109.2 | R99 | R99-I101 PolarHBondContact O-N 3.07Š|
| 102 | R | 93.1 | Very high | 82.4 | Confident | 222 Ų | 222 | 130.4 Ų | 130.4 | 84% | 0.838 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 132.6 | 179 | -174.2 | 177.6 | 179.7 | -176.4 | 0.3 | 109.3 | R100 | R100-R102 PolarHBondContact O-N 3.48Š|
| 103 | T | 93.2 | Very high | 84.5 | Confident | 43 Ų | 43 | 123.8 Ų | 123.8 | 26% | 0.264 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 128.1 | 170.8 | -48.2 | 0 | 0 | 0 | 0 | 110 | L137 R141 | T103-L137 HydrophobicContact CG2-CD2 3.99Å; T103-R141 WeakPolarHBondContact OG1-CD 3.24Å |
| 104 | T | 95.4 | Very high | 86.9 | Confident | 125 Ų | 125 | 120.8 Ų | 120.8 | 77% | 0.767 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 131.3 | 166.9 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 105 | F | 97.3 | Very high | 88.9 | Confident | 62 Ų | 62 | 118.3 Ų | 118.3 | 27% | 0.272 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 138 | -179.6 | -59.8 | -91.9 | 0 | 0 | 0 | 109.5 | L110 L113 L137 W145 | F105-L110 HydrophobicContact CB-CD1 4.46Å; F105-L110 HydrophobicContact CB-CD2 3.72Å; F105-L110 HydrophobicContact CB-CG 3.85Å; F105-L110 HydrophobicContact CG-CD2 4.15Å; F105-L113 HydrophobicContact CD1-CD1 4.05Å; F105-L113 HydrophobicContact CE1-CD1 4.18Å; F105-L137 HydrophobicContact CD1-CD1 3.48Å; F105-L137 VanDerWaalsContact CD1-CD1 3.48Å; F105-L137 HydrophobicContact CE1-CD1 3.37Å; F105-W145 HydrophobicContact CE1-CB 4.45Å; F105-W145 AromaticContact CE1-CD1 4Å; F105-W145 AromaticContact CE2-CD1 3.72Å; F105-W145 HydrophobicContact CZ-CB 4.06Å; F105-W145 AromaticContact CZ-CD1 3.7Å; F105-W145 HydrophobicContact CZ-CG 4.26Å |
| 106 | T | 98.4 | Very high | 91 | Very high | 78 Ų | 78 | 109.6 Ų | 109.6 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 162 | 171.4 | 77 | 0 | 0 | 0 | 0 | 110.4 | A108 Q109 L110 | T106-A108 VanDerWaalsContact C-N 3.29Å; T106-A108 PolarHBondContact O-N 3.15Å; T106-Q109 PolarHBondContact O-N 2.8Å; T106-Q109 VanDerWaalsContact OG1-CG 3.27Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.39Å; T106-Q109 PolarHBondContact OG1-N 3.15Å; T106-L110 WeakPolarHBondContact O-CG 3.32Å; T106-L110 PolarHBondContact O-N 3.38Å; T106-L110 VanDerWaalsContact O-N 3.08Å |
| 107 | S | 97.9 | Very high | 92.8 | Very high | 81 Ų | 81 | 99.1 Ų | 99.1 | 57% | 0.566 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.4 | -39.7 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 112.3 | L110 K111 | S107-L110 PolarHBondContact O-N 3.38Å; S107-K111 WeakPolarHBondContact O-CG 3.43Å; S107-K111 PolarHBondContact O-N 3.01Å |
| 108 | A | 97.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 93.6 Ų | 93.6 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T106 L110 K111 E112 | T106-A108 VanDerWaalsContact C-N 3.29Å; T106-A108 PolarHBondContact O-N 3.15Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 2.73Å; A108-K111 PolarHBondContact O-N 2.82Å; A108-E112 PolarHBondContact O-N 2.84Å |
| 109 | Q | 98.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 93 Ų | 93 | 13% | 0.131 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 176.6 | -64.2 | 172.9 | -32.7 | 0 | 0 | 111.3 | T106 K111 E112 L113 I135 | T106-Q109 PolarHBondContact O-N 2.8Å; T106-Q109 VanDerWaalsContact OG1-CG 3.27Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.39Å; T106-Q109 PolarHBondContact OG1-N 3.15Å; Q109-K111 VanDerWaalsContact C-N 3.34Å; Q109-K111 PolarHBondContact O-N 3.02Å; Q109-E112 PolarHBondContact O-N 3.27Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.49Å; Q109-L113 PolarHBondContact O-N 3.31Å; Q109-I135 HydrophobicContact CB-CB 4.37Å; Q109-I135 HydrophobicContact CG-CB 4.06Å; Q109-I135 PolarHBondContact NE2-O 3.26Å |
| 110 | L | 98.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 84.9 Ų | 84.9 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.3 | -68.7 | 174.8 | 0 | 0 | 0 | 112.2 | F105 T106 S107 A108 E112 L113 E114 W145 | F105-L110 HydrophobicContact CB-CD1 4.46Å; F105-L110 HydrophobicContact CB-CD2 3.72Å; F105-L110 HydrophobicContact CB-CG 3.85Å; F105-L110 HydrophobicContact CG-CD2 4.15Å; T106-L110 WeakPolarHBondContact O-CG 3.32Å; T106-L110 PolarHBondContact O-N 3.38Å; T106-L110 VanDerWaalsContact O-N 3.08Å; S107-L110 PolarHBondContact O-N 3.38Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 2.73Å; L110-E112 PolarHBondContact O-N 3.37Å; L110-L113 PolarHBondContact O-N 2.79Å; L110-E114 WeakPolarHBondContact O-CB 3.41Å; L110-E114 WeakPolarHBondContact O-CG 3.38Å; L110-E114 PolarHBondContact O-N 3.14Å; L110-W145 HydrophobicContact CD2-CZ2 4.27Å; L110-W145 VanDerWaalsContact CD2-NE1 3.27Å |
| 111 | K | 98.3 | Very high | 97 | Very high | 142 Ų | 142 | 77.3 Ų | 77.3 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.7 | -45.3 | 177.3 | -73.6 | 174.8 | -176.9 | -179.8 | 0 | 112 | S107 A108 Q109 E114 R115 | S107-K111 WeakPolarHBondContact O-CG 3.43Å; S107-K111 PolarHBondContact O-N 3.01Å; A108-K111 PolarHBondContact O-N 2.82Å; Q109-K111 VanDerWaalsContact C-N 3.34Å; Q109-K111 PolarHBondContact O-N 3.02Å; K111-E114 PolarHBondContact O-N 3.21Å; K111-R115 WeakPolarHBondContact O-CB 3.39Å; K111-R115 PolarHBondContact O-N 2.85Å |
| 112 | E | 98.2 | Very high | 97.5 | Very high | 31 Ų | 31 | 78.2 Ų | 78.2 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 179.2 | -169.7 | 62.7 | -159.3 | 0 | 0 | 111.8 | A108 Q109 L110 E114 R115 V116 L131 K134 I135 | A108-E112 PolarHBondContact O-N 2.84Å; Q109-E112 PolarHBondContact O-N 3.27Å; L110-E112 PolarHBondContact O-N 3.37Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 3Å; E112-R115 WeakPolarHBondContact O-CB 3.43Å; E112-R115 PolarHBondContact O-N 3.35Å; E112-R115 IonicContact OE1-CZ 2.76Å; E112-R115 VanDerWaalsContact OE1-CZ 3.3Å; E112-R115 IonicContact OE1-NE 2.79Å; E112-R115 PolarHBondContact OE1-NE 3.23Å; E112-R115 IonicContact OE1-NH2 3.01Å; E112-R115 PolarHBondContact OE1-NH2 2.89Å; E112-R115 IonicContact OE2-NE 3.49Å; E112-V116 PolarHBondContact O-N 3.47Å; E112-V116 VanDerWaalsContact O-N 3.16Å; E112-L131 HydrophobicContact CG-CD2 3.72Å; E112-K134 VanDerWaalsContact CD-NZ 3.27Å; E112-K134 HydrophobicContact CG-CD 4.15Å; E112-K134 WeakPolarHBondContact OE1-CE 3.44Å; E112-K134 IonicContact OE1-NZ 3.83Å; E112-K134 PolarHBondContact OE1-NZ 3.42Å; E112-K134 IonicContact OE2-NZ 3.75Å; E112-K134 PolarHBondContact OE2-NZ 3.24Å; E112-I135 HydrophobicContact CB-CG2 3.92Å; E112-I135 HydrophobicContact CG-CG2 3.95Å |
| 113 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 175.1 | -71.7 | 167 | 0 | 0 | 0 | 112 | F105 Q109 L110 F117 I135 V142 W145 F146 | F105-L113 HydrophobicContact CD1-CD1 4.05Å; F105-L113 HydrophobicContact CE1-CD1 4.18Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.49Å; Q109-L113 PolarHBondContact O-N 3.31Å; L110-L113 PolarHBondContact O-N 2.79Å; L113-F117 WeakPolarHBondContact O-CB 3.45Å; L113-F117 PolarHBondContact O-N 3.34Å; L113-I135 HydrophobicContact CD1-CD1 4.02Å; L113-I135 HydrophobicContact CD2-CD1 3.73Å; L113-I135 HydrophobicContact CG-CD1 3.78Å; L113-V142 HydrophobicContact CD2-CG1 3.95Å; L113-V142 HydrophobicContact CD2-CG2 4.46Å; L113-W145 HydrophobicContact CB-CD2 4.12Å; L113-W145 HydrophobicContact CB-CE3 3.98Å; L113-W145 HydrophobicContact CB-CH2 3.68Å; L113-W145 HydrophobicContact CB-CZ2 3.81Å; L113-W145 HydrophobicContact CB-CZ3 3.77Å; L113-W145 HydrophobicContact CD1-CD2 3.86Å; L113-W145 HydrophobicContact CD1-CE3 4.41Å; L113-W145 HydrophobicContact CD1-CG 3.91Å; L113-W145 HydrophobicContact CD1-CZ2 4.48Å; L113-W145 HydrophobicContact CD2-CD2 4.45Å; L113-W145 HydrophobicContact CD2-CE3 4.25Å; L113-W145 HydrophobicContact CG-CD2 4.38Å; L113-W145 HydrophobicContact CG-CE3 4.45Å; L113-F146 HydrophobicContact CD2-CD2 4.49Å; L113-F146 HydrophobicContact CD2-CE2 3.85Å |
| 114 | E | 98.4 | Very high | 98 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.6 | -34.8 | 176.7 | -73.2 | -174 | 154.7 | 0 | 0 | 112.4 | L110 K111 E112 F117 A118 W145 R149 | L110-E114 WeakPolarHBondContact O-CB 3.41Å; L110-E114 WeakPolarHBondContact O-CG 3.38Å; L110-E114 PolarHBondContact O-N 3.14Å; K111-E114 PolarHBondContact O-N 3.21Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 3Å; E114-F117 PolarHBondContact O-N 3.08Å; E114-A118 PolarHBondContact O-N 3.27Å; E114-W145 HydrophobicContact CG-CH2 3.81Å; E114-W145 HydrophobicContact CG-CZ2 3.97Å; E114-R149 IonicContact OE1-CZ 3.71Å; E114-R149 IonicContact OE1-NH1 3Å; E114-R149 PolarHBondContact OE1-NH1 3.41Å |
| 115 | R | 98.3 | Very high | 98.1 | Very high | 108 Ų | 108 | 67 Ų | 67 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.1 | -51.6 | 173.3 | -172.4 | -168.7 | 69.5 | 74.9 | 0.9 | 111 | K111 E112 F117 A118 E119 | K111-R115 WeakPolarHBondContact O-CB 3.39Å; K111-R115 PolarHBondContact O-N 2.85Å; E112-R115 WeakPolarHBondContact O-CB 3.43Å; E112-R115 PolarHBondContact O-N 3.35Å; E112-R115 IonicContact OE1-CZ 2.76Å; E112-R115 VanDerWaalsContact OE1-CZ 3.3Å; E112-R115 IonicContact OE1-NE 2.79Å; E112-R115 PolarHBondContact OE1-NE 3.23Å; E112-R115 IonicContact OE1-NH2 3.01Å; E112-R115 PolarHBondContact OE1-NH2 2.89Å; E112-R115 IonicContact OE2-NE 3.49Å; R115-F117 VanDerWaalsContact C-N 3.33Å; R115-F117 PolarHBondContact O-N 3.29Å; R115-A118 WeakPolarHBondContact O-CB 3.35Å; R115-A118 PolarHBondContact O-N 3.05Å; R115-E119 IonicContact CZ-OE1 3.36Å; R115-E119 IonicContact NH1-OE1 3.51Å; R115-E119 PolarHBondContact NH1-OE1 3.27Å; R115-E119 IonicContact NH1-OE2 2.64Å; R115-E119 PolarHBondContact O-N 3.36Å |
| 116 | V | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.4 | -33.1 | 178.5 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | E112 A118 E119 T120 P123 T127 L131 F146 | E112-V116 PolarHBondContact O-N 3.47Å; E112-V116 VanDerWaalsContact O-N 3.16Å; V116-A118 PolarHBondContact O-N 3.48Å; V116-E119 WeakPolarHBondContact O-CB 3.49Å; V116-E119 PolarHBondContact O-N 3Å; V116-E119 VanDerWaalsContact O-N 3.09Å; V116-T120 HydrophobicContact CG1-CG2 4.43Å; V116-T120 PolarHBondContact O-N 3.01Å; V116-P123 HydrophobicContact CG1-CB 4.43Å; V116-T127 HydrophobicContact CG1-CG2 4.2Å; V116-L131 HydrophobicContact CB-CD1 3.91Å; V116-L131 HydrophobicContact CG1-CD1 3.91Å; V116-L131 HydrophobicContact CG2-CD1 3.86Å; V116-L131 HydrophobicContact CG2-CD2 3.78Å; V116-L131 HydrophobicContact CG2-CG 4.16Å; V116-F146 HydrophobicContact CB-CZ 4.29Å; V116-F146 HydrophobicContact CG1-CZ 4.11Å |
| 117 | F | 98.4 | Very high | 98.1 | Very high | 12 Ų | 12 | 70.9 Ų | 70.9 | 5% | 0.053 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.7 | -36 | 174.1 | -170.9 | -95.8 | 0 | 0 | 0 | 112.4 | L113 E114 R115 E119 T120 H121 W145 F146 R149 R150 F153 | L113-F117 WeakPolarHBondContact O-CB 3.45Å; L113-F117 PolarHBondContact O-N 3.34Å; E114-F117 PolarHBondContact O-N 3.08Å; R115-F117 VanDerWaalsContact C-N 3.33Å; R115-F117 PolarHBondContact O-N 3.29Å; F117-E119 VanDerWaalsContact C-N 3.27Å; F117-E119 PolarHBondContact O-N 3.11Å; F117-T120 CarbonylContact O-C 3.58Å; F117-H121 AromaticContact CD1-CD2 3.54Å; F117-H121 AromaticContact CD1-NE2 3.81Å; F117-H121 AromaticContact CD2-CD2 3.88Å; F117-H121 AromaticContact CE1-CD2 3.15Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.35Å; F117-H121 AromaticContact CE1-NE2 3.25Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.47Å; F117-H121 HydrophobicContact CE2-CB 4.02Å; F117-H121 AromaticContact CE2-CD2 3.53Å; F117-H121 AromaticContact CE2-CG 3.99Å; F117-H121 AromaticContact CG-CD2 3.89Å; F117-H121 HydrophobicContact CZ-CB 4.25Å; F117-H121 AromaticContact CZ-CD2 3.14Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.46Å; F117-H121 AromaticContact CZ-CG 3.75Å; F117-H121 AromaticContact CZ-NE2 3.6Å; F117-H121 PolarHBondContact O-CD2 3.36Å; F117-W145 HydrophobicContact CB-CZ3 4.39Å; F117-F146 HydrophobicContact CB-CE1 4.01Å; F117-F146 AromaticContact CD2-CD1 3.8Å; F117-F146 HydrophobicContact CD2-CD1 3.8Å; F117-F146 AromaticContact CD2-CE1 3.79Å; F117-F146 HydrophobicContact CD2-CE1 3.79Å; F117-F146 HydrophobicContact CG-CE1 4.41Å; F117-R149 HydrophobicContact CD1-CG 4.1Å; F117-R149 HydrophobicContact CD2-CB 4.31Å; F117-R149 HydrophobicContact CD2-CG 3.62Å; F117-R149 HydrophobicContact CE1-CG 3.95Å; F117-R149 HydrophobicContact CE2-CB 4.07Å; F117-R149 HydrophobicContact CE2-CG 3.47Å; F117-R149 VanDerWaalsContact CE2-CG 3.47Å; F117-R149 HydrophobicContact CG-CG 3.94Å; F117-R149 HydrophobicContact CZ-CG 3.65Å; F117-R150 HydrophobicContact CE2-CG 3.85Å; F117-R150 HydrophobicContact CZ-CG 4.39Å; F117-F153 HydrophobicContact CE1-CD2 4.5Å; F117-F153 HydrophobicContact CZ-CB 4.42Å |
| 118 | A | 98 | Very high | 98.2 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.5 | -29.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E114 R115 V116 | E114-A118 PolarHBondContact O-N 3.27Å; R115-A118 WeakPolarHBondContact O-CB 3.35Å; R115-A118 PolarHBondContact O-N 3.05Å; V116-A118 PolarHBondContact O-N 3.48Å |
| 119 | E | 97.7 | Very high | 98.2 | Very high | 129 Ų | 129 | 70.2 Ų | 70.2 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -79 | -47 | 175 | -67.3 | 170 | -166.1 | 0 | 0 | 111.7 | R115 V116 F117 | R115-E119 IonicContact CZ-OE1 3.36Å; R115-E119 IonicContact NH1-OE1 3.51Å; R115-E119 PolarHBondContact NH1-OE1 3.27Å; R115-E119 IonicContact NH1-OE2 2.64Å; R115-E119 PolarHBondContact O-N 3.36Å; V116-E119 WeakPolarHBondContact O-CB 3.49Å; V116-E119 PolarHBondContact O-N 3Å; V116-E119 VanDerWaalsContact O-N 3.09Å; F117-E119 VanDerWaalsContact C-N 3.27Å; F117-E119 PolarHBondContact O-N 3.11Å |
| 120 | T | 97.7 | Very high | 98.2 | Very high | 54 Ų | 54 | 75.4 Ų | 75.4 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | trans | -149.4 | 129.5 | 177 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | V116 F117 Y122 P123 | V116-T120 HydrophobicContact CG1-CG2 4.43Å; V116-T120 PolarHBondContact O-N 3.01Å; F117-T120 CarbonylContact O-C 3.58Å; T120-Y122 PolarHBondContact O-N 2.76Å; T120-Y122 PolarHBondContact OG1-N 3.3Å; T120-Y122 VanDerWaalsContact OG1-N 3.15Å; T120-Y122 PolarHBondContact OG1-O 2.95Å; T120-P123 HydrophobicContact CG2-CB 4.13Å | ||
| 121 | H | 97.9 | Very high | 98.2 | Very high | 67 Ų | 67 | 73 Ų | 73 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -71.6 | -18.7 | 173 | -62.6 | 156.6 | 0 | 0 | 0 | 112.8 | F117 R150 F153 | F117-H121 AromaticContact CD1-CD2 3.54Å; F117-H121 AromaticContact CD1-NE2 3.81Å; F117-H121 AromaticContact CD2-CD2 3.88Å; F117-H121 AromaticContact CE1-CD2 3.15Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.35Å; F117-H121 AromaticContact CE1-NE2 3.25Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.47Å; F117-H121 HydrophobicContact CE2-CB 4.02Å; F117-H121 AromaticContact CE2-CD2 3.53Å; F117-H121 AromaticContact CE2-CG 3.99Å; F117-H121 AromaticContact CG-CD2 3.89Å; F117-H121 HydrophobicContact CZ-CB 4.25Å; F117-H121 AromaticContact CZ-CD2 3.14Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.46Å; F117-H121 AromaticContact CZ-CG 3.75Å; F117-H121 AromaticContact CZ-NE2 3.6Å; F117-H121 PolarHBondContact O-CD2 3.36Å; H121-R150 HydrophobicContact CB-CG 4.42Å; H121-R150 VanDerWaalsContact O-CD 3.3Å; H121-R150 WeakPolarHBondContact O-CD 3.4Å; H121-R150 PolarHBondContact O-NH1 3Å; H121-F153 AromaticContact CE1-CZ 3.98Å |
| 122 | Y | 98.3 | Very high | 98.2 | Very high | 159 Ų | 159 | 66.5 Ų | 66.5 | 62% | 0.624 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -127.7 | 72.5 | -176.3 | -66.1 | -93.7 | 0 | 0 | 0 | 110.3 | T120 R150 | T120-Y122 PolarHBondContact O-N 2.76Å; T120-Y122 PolarHBondContact OG1-N 3.3Å; T120-Y122 VanDerWaalsContact OG1-N 3.15Å; T120-Y122 PolarHBondContact OG1-O 2.95Å; Y122-R150 VanDerWaalsContact CE1-NE 3.34Å |
| 123 | P | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | trans | -66.5 | 142.4 | 178 | 28.7 | -36.4 | 0 | 0 | 0 | 111.1 | V116 T120 T127 R128 F146 | V116-P123 HydrophobicContact CG1-CB 4.43Å; T120-P123 HydrophobicContact CG2-CB 4.13Å; P123-T127 HydrophobicContact CB-CG2 4.13Å; P123-R128 HydrophobicContact CB-CG 4.07Å; P123-R128 HydrophobicContact CG-CG 3.85Å; P123-R128 PolarHBondContact O-NH1 3.42Å; P123-F146 HydrophobicContact CG-CD1 3.66Å; P123-F146 HydrophobicContact CG-CD2 4.08Å; P123-F146 HydrophobicContact CG-CE1 3.57Å; P123-F146 HydrophobicContact CG-CE2 4.02Å; P123-F146 HydrophobicContact CG-CG 3.93Å; P123-F146 HydrophobicContact CG-CZ 3.78Å | ||
| 124 | D | 98.3 | Very high | 98.1 | Very high | 93 Ų | 93 | 77.8 Ų | 77.8 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | trans | -72.1 | 166.3 | 177.1 | -170.3 | 24.4 | 0 | 0 | 0 | 112.1 | Y126 T127 R128 | D124-Y126 VanDerWaalsContact C-N 3.31Å; D124-Y126 PolarHBondContact O-N 2.94Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; D124-T127 PolarHBondContact O-N 3.11Å; D124-R128 WeakPolarHBondContact O-CG 3.37Å; D124-R128 PolarHBondContact O-N 2.96Å | ||
| 125 | I | 98.1 | Very high | 98.1 | Very high | 55 Ų | 55 | 74.3 Ų | 74.3 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -52.2 | -47.4 | -179.9 | -174.5 | 61.4 | 0 | 0 | 0 | 111.9 | T127 R128 E129 E139 | I125-T127 PolarHBondContact O-N 3.21Å; I125-R128 VanDerWaalsContact CD1-NH2 3.34Å; I125-R128 PolarHBondContact O-N 3Å; I125-R128 VanDerWaalsContact O-N 3.14Å; I125-E129 HydrophobicContact CD1-CG 4.39Å; I125-E129 HydrophobicContact CG1-CG 4.48Å; I125-E129 WeakPolarHBondContact O-CG 3.33Å; I125-E129 PolarHBondContact O-N 3.13Å; I125-E139 HydrophobicContact CD1-CG 4.01Å; I125-E139 WeakPolarHBondContact CD1-OE1 3.26Å |
| 126 | Y | 98.3 | Very high | 98.1 | Very high | 170 Ų | 170 | 76 Ų | 76 | 67% | 0.667 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | -178.9 | -59.6 | -66.3 | 0 | 0 | 0 | 112.4 | D124 R128 E129 E130 | D124-Y126 VanDerWaalsContact C-N 3.31Å; D124-Y126 PolarHBondContact O-N 2.94Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; Y126-R128 VanDerWaalsContact C-N 3.29Å; Y126-R128 PolarHBondContact O-N 2.94Å; Y126-E129 PolarHBondContact O-N 3.38Å; Y126-E130 PolarHBondContact O-N 3.39Å |
| 127 | T | 98.1 | Very high | 98 | Very high | 51 Ų | 51 | 77.5 Ų | 77.5 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 176 | -48.4 | 0 | 0 | 0 | 0 | 111.5 | V116 P123 D124 I125 L131 | V116-T127 HydrophobicContact CG1-CG2 4.2Å; P123-T127 HydrophobicContact CB-CG2 4.13Å; D124-T127 PolarHBondContact O-N 3.11Å; I125-T127 PolarHBondContact O-N 3.21Å; T127-L131 WeakPolarHBondContact O-CB 3.43Å; T127-L131 WeakPolarHBondContact O-CG 3.27Å; T127-L131 PolarHBondContact O-N 2.84Å; T127-L131 VanDerWaalsContact O-N 3.08Å |
| 128 | R | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 81.1 Ų | 81.1 | 17% | 0.17 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 176.3 | -66.9 | -168.4 | -51.2 | -90 | 0.6 | 112 | P123 D124 I125 Y126 L131 A132 E139 V142 | P123-R128 HydrophobicContact CB-CG 4.07Å; P123-R128 HydrophobicContact CG-CG 3.85Å; P123-R128 PolarHBondContact O-NH1 3.42Å; D124-R128 WeakPolarHBondContact O-CG 3.37Å; D124-R128 PolarHBondContact O-N 2.96Å; I125-R128 VanDerWaalsContact CD1-NH2 3.34Å; I125-R128 PolarHBondContact O-N 3Å; I125-R128 VanDerWaalsContact O-N 3.14Å; Y126-R128 VanDerWaalsContact C-N 3.29Å; Y126-R128 PolarHBondContact O-N 2.94Å; R128-L131 PolarHBondContact O-N 2.96Å; R128-A132 VanDerWaalsContact O-CB 3.24Å; R128-A132 WeakPolarHBondContact O-CB 3.14Å; R128-A132 PolarHBondContact O-N 3.41Å; R128-E139 HydrophobicContact CB-CG 4.08Å; R128-E139 IonicContact CZ-OE1 3.3Å; R128-E139 IonicContact NE-OE1 2.97Å; R128-E139 PolarHBondContact NE-OE1 3.29Å; R128-E139 IonicContact NH2-OE1 2.84Å; R128-E139 PolarHBondContact NH2-OE1 3.39Å; R128-V142 HydrophobicContact CB-CG1 4.24Å; R128-V142 HydrophobicContact CG-CG1 4.23Å |
| 129 | E | 98.6 | Very high | 98 | Very high | 91 Ų | 91 | 79.1 Ų | 79.1 | 43% | 0.425 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 175.8 | -73 | 178 | 164.8 | 0 | 0 | 111.6 | I125 Y126 L131 A132 L133 E139 | I125-E129 HydrophobicContact CD1-CG 4.39Å; I125-E129 HydrophobicContact CG1-CG 4.48Å; I125-E129 WeakPolarHBondContact O-CG 3.33Å; I125-E129 PolarHBondContact O-N 3.13Å; Y126-E129 PolarHBondContact O-N 3.38Å; E129-L131 PolarHBondContact O-N 3.26Å; E129-A132 WeakPolarHBondContact O-CB 3.3Å; E129-A132 PolarHBondContact O-N 3.21Å; E129-L133 WeakPolarHBondContact O-CG 3.44Å; E129-L133 PolarHBondContact O-N 3.44Å; E129-L133 VanDerWaalsContact O-N 3.08Å; E129-E139 HydrophobicContact CG-CB 4.47Å; E129-E139 HydrophobicContact CG-CG 4.05Å |
| 130 | E | 98.2 | Very high | 98 | Very high | 138 Ų | 138 | 75 Ų | 75 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.8 | -45.5 | 175 | -173.8 | -174.8 | 178.5 | 0 | 0 | 111.5 | Y126 A132 L133 K134 | Y126-E130 PolarHBondContact O-N 3.39Å; E130-A132 PolarHBondContact O-N 3.41Å; E130-L133 PolarHBondContact O-N 2.96Å; E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 3.02Å |
| 131 | L | 98.2 | Very high | 98 | Very high | 7 Ų | 7 | 76.4 Ų | 76.4 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.1 | -84.8 | 178.5 | 0 | 0 | 0 | 112.5 | E112 V116 T127 R128 E129 L133 K134 I135 V142 F146 | E112-L131 HydrophobicContact CG-CD2 3.72Å; V116-L131 HydrophobicContact CB-CD1 3.91Å; V116-L131 HydrophobicContact CG1-CD1 3.91Å; V116-L131 HydrophobicContact CG2-CD1 3.86Å; V116-L131 HydrophobicContact CG2-CD2 3.78Å; V116-L131 HydrophobicContact CG2-CG 4.16Å; T127-L131 WeakPolarHBondContact O-CB 3.43Å; T127-L131 WeakPolarHBondContact O-CG 3.27Å; T127-L131 PolarHBondContact O-N 2.84Å; T127-L131 VanDerWaalsContact O-N 3.08Å; R128-L131 PolarHBondContact O-N 2.96Å; E129-L131 PolarHBondContact O-N 3.26Å; L131-L133 VanDerWaalsContact C-N 3.29Å; L131-L133 PolarHBondContact O-N 3.43Å; L131-K134 PolarHBondContact O-N 2.82Å; L131-K134 VanDerWaalsContact O-N 3.13Å; L131-I135 VanDerWaalsContact O-CG1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 3.49Å; L131-V142 HydrophobicContact CD1-CG1 4.44Å; L131-F146 HydrophobicContact CD1-CE2 4.13Å; L131-F146 HydrophobicContact CD1-CZ 4.32Å |
| 132 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 73.2 Ų | 73.2 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.2 | -43.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R128 E129 E130 D136 L137 E139 V142 | R128-A132 VanDerWaalsContact O-CB 3.24Å; R128-A132 WeakPolarHBondContact O-CB 3.14Å; R128-A132 PolarHBondContact O-N 3.41Å; E129-A132 WeakPolarHBondContact O-CB 3.3Å; E129-A132 PolarHBondContact O-N 3.21Å; E130-A132 PolarHBondContact O-N 3.41Å; A132-D136 PolarHBondContact O-N 3.33Å; A132-D136 VanDerWaalsContact O-N 3.15Å; A132-L137 CarbonylContact C-O 3.42Å; A132-L137 WeakPolarHBondContact CB-O 3.38Å; A132-L137 PolarHBondContact O-N 2.98Å; A132-L137 VanDerWaalsContact O-O 3.05Å; A132-E139 HydrophobicContact CB-CB 4.42Å; A132-V142 HydrophobicContact CB-CG2 4.04Å |
| 133 | L | 98.3 | Very high | 98.1 | Very high | 143 Ų | 143 | 69.1 Ų | 69.1 | 75% | 0.749 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 173.3 | -65.6 | 172.1 | 0 | 0 | 0 | 111.9 | E129 E130 L131 I135 | E129-L133 WeakPolarHBondContact O-CG 3.44Å; E129-L133 PolarHBondContact O-N 3.44Å; E129-L133 VanDerWaalsContact O-N 3.08Å; E130-L133 PolarHBondContact O-N 2.96Å; L131-L133 VanDerWaalsContact C-N 3.29Å; L131-L133 PolarHBondContact O-N 3.43Å; L133-I135 VanDerWaalsContact C-N 3.31Å; L133-I135 PolarHBondContact O-N 3.44Å |
| 134 | K | 97.5 | Very high | 98.1 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.8 | -31.3 | -177.7 | -173.3 | 174.2 | -179.7 | -179.3 | 0 | 113.9 | E112 E130 L131 | E112-K134 VanDerWaalsContact CD-NZ 3.27Å; E112-K134 HydrophobicContact CG-CD 4.15Å; E112-K134 WeakPolarHBondContact OE1-CE 3.44Å; E112-K134 IonicContact OE1-NZ 3.83Å; E112-K134 PolarHBondContact OE1-NZ 3.42Å; E112-K134 IonicContact OE2-NZ 3.75Å; E112-K134 PolarHBondContact OE2-NZ 3.24Å; E130-K134 WeakPolarHBondContact O-CB 3.47Å; E130-K134 PolarHBondContact O-N 3.02Å; L131-K134 PolarHBondContact O-N 2.82Å; L131-K134 VanDerWaalsContact O-N 3.13Å |
| 135 | I | 97.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 9.4 | -174.8 | 76.9 | -172.7 | 0 | 0 | 0 | 113.5 | Q109 E112 L113 L131 L133 L137 V142 | Q109-I135 HydrophobicContact CB-CB 4.37Å; Q109-I135 HydrophobicContact CG-CB 4.06Å; Q109-I135 PolarHBondContact NE2-O 3.26Å; E112-I135 HydrophobicContact CB-CG2 3.92Å; E112-I135 HydrophobicContact CG-CG2 3.95Å; L113-I135 HydrophobicContact CD1-CD1 4.02Å; L113-I135 HydrophobicContact CD2-CD1 3.73Å; L113-I135 HydrophobicContact CG-CD1 3.78Å; L131-I135 VanDerWaalsContact O-CG1 3.26Å; L131-I135 WeakPolarHBondContact O-CG1 3.39Å; L131-I135 PolarHBondContact O-N 3.49Å; L133-I135 VanDerWaalsContact C-N 3.31Å; L133-I135 PolarHBondContact O-N 3.44Å; I135-L137 HydrophobicContact CD1-CD1 3.86Å; I135-L137 HydrophobicContact CD1-CG 4.45Å; I135-L137 HydrophobicContact CG1-CB 4.08Å; I135-L137 HydrophobicContact CG1-CD1 3.92Å; I135-L137 HydrophobicContact CG1-CG 3.98Å; I135-V142 HydrophobicContact CD1-CG2 4.14Å |
| 136 | D | 97.9 | Very high | 98.1 | Very high | 145 Ų | 145 | 66 Ų | 66 | 78% | 0.775 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 48 | -179 | -62.4 | -50.8 | 0 | 0 | 0 | 114.3 | A132 | A132-D136 PolarHBondContact O-N 3.33Å; A132-D136 VanDerWaalsContact O-N 3.15Å |
| 137 | L | 97 | Very high | 98.1 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | trans | -128.2 | 167.1 | 175.9 | -65.9 | 179.3 | 0 | 0 | 0 | 110.8 | T103 F105 A132 I135 R141 | T103-L137 HydrophobicContact CG2-CD2 3.99Å; F105-L137 HydrophobicContact CD1-CD1 3.48Å; F105-L137 VanDerWaalsContact CD1-CD1 3.48Å; F105-L137 HydrophobicContact CE1-CD1 3.37Å; A132-L137 CarbonylContact C-O 3.42Å; A132-L137 WeakPolarHBondContact CB-O 3.38Å; A132-L137 PolarHBondContact O-N 2.98Å; A132-L137 VanDerWaalsContact O-O 3.05Å; I135-L137 HydrophobicContact CD1-CD1 3.86Å; I135-L137 HydrophobicContact CD1-CG 4.45Å; I135-L137 HydrophobicContact CG1-CB 4.08Å; I135-L137 HydrophobicContact CG1-CD1 3.92Å; I135-L137 HydrophobicContact CG1-CG 3.98Å; L137-R141 HydrophobicContact CB-CB 4.38Å | ||
| 138 | T | 97.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | trans | -82.1 | 148.2 | 171.1 | 71.3 | 0 | 0 | 0 | 0 | 110.8 | A140 R141 V142 | T138-A140 PolarHBondContact O-N 3.21Å; T138-A140 VanDerWaalsContact O-N 3.14Å; T138-R141 WeakPolarHBondContact O-CA 3.46Å; T138-R141 WeakPolarHBondContact O-CB 3.18Å; T138-R141 PolarHBondContact O-N 3.34Å; T138-R141 WeakPolarHBondContact OG1-CG 3.37Å; T138-V142 PolarHBondContact O-N 3.39Å | ||
| 139 | E | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 65.9 Ų | 65.9 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -49.2 | -42.2 | 176.1 | -175.8 | -78.6 | 159.7 | 0 | 0 | 111.2 | I125 R128 E129 A132 R141 V142 Q143 | I125-E139 HydrophobicContact CD1-CG 4.01Å; I125-E139 WeakPolarHBondContact CD1-OE1 3.26Å; R128-E139 HydrophobicContact CB-CG 4.08Å; R128-E139 IonicContact CZ-OE1 3.3Å; R128-E139 IonicContact NE-OE1 2.97Å; R128-E139 PolarHBondContact NE-OE1 3.29Å; R128-E139 IonicContact NH2-OE1 2.84Å; R128-E139 PolarHBondContact NH2-OE1 3.39Å; E129-E139 HydrophobicContact CG-CB 4.47Å; E129-E139 HydrophobicContact CG-CG 4.05Å; A132-E139 HydrophobicContact CB-CB 4.42Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 3.16Å; E139-V142 CarbonylContact O-C 3.43Å; E139-V142 WeakPolarHBondContact O-CA 3.25Å; E139-V142 WeakPolarHBondContact O-CB 3.15Å; E139-V142 PolarHBondContact O-N 3.36Å; E139-Q143 PolarHBondContact O-N 3.47Å |
| 140 | A | 97.8 | Very high | 98.1 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T138 V144 | T138-A140 PolarHBondContact O-N 3.21Å; T138-A140 VanDerWaalsContact O-N 3.14Å; A140-V144 VanDerWaalsContact O-CG2 3.26Å; A140-V144 WeakPolarHBondContact O-CG2 3.45Å; A140-V144 PolarHBondContact O-N 3.02Å; A140-V144 VanDerWaalsContact O-N 3.11Å |
| 141 | R | 97.9 | Very high | 98.1 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 174.2 | -62.6 | -60 | 94.1 | 164.7 | 6.3 | 111 | T103 L137 T138 E139 V144 W145 | T103-R141 WeakPolarHBondContact OG1-CD 3.24Å; L137-R141 HydrophobicContact CB-CB 4.38Å; T138-R141 WeakPolarHBondContact O-CA 3.46Å; T138-R141 WeakPolarHBondContact O-CB 3.18Å; T138-R141 PolarHBondContact O-N 3.34Å; T138-R141 WeakPolarHBondContact OG1-CG 3.37Å; E139-R141 VanDerWaalsContact C-N 3.26Å; E139-R141 PolarHBondContact O-N 3.16Å; R141-V144 PolarHBondContact O-N 3.05Å; R141-W145 WeakPolarHBondContact O-CB 3.33Å; R141-W145 PolarHBondContact O-N 3.09Å |
| 142 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 175.7 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | L113 R128 L131 A132 I135 T138 E139 V144 W145 F146 | L113-V142 HydrophobicContact CD2-CG1 3.95Å; L113-V142 HydrophobicContact CD2-CG2 4.46Å; R128-V142 HydrophobicContact CB-CG1 4.24Å; R128-V142 HydrophobicContact CG-CG1 4.23Å; L131-V142 HydrophobicContact CD1-CG1 4.44Å; A132-V142 HydrophobicContact CB-CG2 4.04Å; I135-V142 HydrophobicContact CD1-CG2 4.14Å; T138-V142 PolarHBondContact O-N 3.39Å; E139-V142 CarbonylContact O-C 3.43Å; E139-V142 WeakPolarHBondContact O-CA 3.25Å; E139-V142 WeakPolarHBondContact O-CB 3.15Å; E139-V142 PolarHBondContact O-N 3.36Å; V142-V144 PolarHBondContact O-N 3.17Å; V142-W145 WeakPolarHBondContact O-CB 3.07Å; V142-W145 PolarHBondContact O-N 3.09Å; V142-W145 VanDerWaalsContact O-N 3.13Å; V142-F146 HydrophobicContact CG1-CD2 3.75Å; V142-F146 HydrophobicContact CG1-CE2 3.76Å; V142-F146 WeakPolarHBondContact O-CD2 3.38Å; V142-F146 PolarHBondContact O-N 3.01Å |
| 143 | Q | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 67.3 Ų | 67.3 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.4 | -51 | 175.9 | -176.3 | -176.7 | -64 | 0 | 0 | 112 | E139 W145 F146 Q147 | E139-Q143 PolarHBondContact O-N 3.47Å; Q143-W145 VanDerWaalsContact C-N 3.3Å; Q143-W145 PolarHBondContact O-N 3.22Å; Q143-F146 PolarHBondContact O-N 3.28Å; Q143-Q147 WeakPolarHBondContact O-CG 3.47Å; Q143-Q147 PolarHBondContact O-N 3.12Å |
| 144 | V | 98.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.376 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 179.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | A140 R141 V142 Q147 N148 | A140-V144 VanDerWaalsContact O-CG2 3.26Å; A140-V144 WeakPolarHBondContact O-CG2 3.45Å; A140-V144 PolarHBondContact O-N 3.02Å; A140-V144 VanDerWaalsContact O-N 3.11Å; R141-V144 PolarHBondContact O-N 3.05Å; V142-V144 PolarHBondContact O-N 3.17Å; V144-Q147 PolarHBondContact O-N 3.02Å; V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 VanDerWaalsContact O-CG 3.31Å; V144-N148 PolarHBondContact O-N 3.06Å; V144-N148 PolarHBondContact O-ND2 2.97Å |
| 145 | W | 98.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 175.8 | -172.2 | 100.2 | 0 | 0 | 0 | 111.4 | F105 L110 L113 E114 F117 R141 V142 Q143 Q147 N148 R149 | F105-W145 HydrophobicContact CE1-CB 4.45Å; F105-W145 AromaticContact CE1-CD1 4Å; F105-W145 AromaticContact CE2-CD1 3.72Å; F105-W145 HydrophobicContact CZ-CB 4.06Å; F105-W145 AromaticContact CZ-CD1 3.7Å; F105-W145 HydrophobicContact CZ-CG 4.26Å; L110-W145 HydrophobicContact CD2-CZ2 4.27Å; L110-W145 VanDerWaalsContact CD2-NE1 3.27Å; L113-W145 HydrophobicContact CB-CD2 4.12Å; L113-W145 HydrophobicContact CB-CE3 3.98Å; L113-W145 HydrophobicContact CB-CH2 3.68Å; L113-W145 HydrophobicContact CB-CZ2 3.81Å; L113-W145 HydrophobicContact CB-CZ3 3.77Å; L113-W145 HydrophobicContact CD1-CD2 3.86Å; L113-W145 HydrophobicContact CD1-CE3 4.41Å; L113-W145 HydrophobicContact CD1-CG 3.91Å; L113-W145 HydrophobicContact CD1-CZ2 4.48Å; L113-W145 HydrophobicContact CD2-CD2 4.45Å; L113-W145 HydrophobicContact CD2-CE3 4.25Å; L113-W145 HydrophobicContact CG-CD2 4.38Å; L113-W145 HydrophobicContact CG-CE3 4.45Å; E114-W145 HydrophobicContact CG-CH2 3.81Å; E114-W145 HydrophobicContact CG-CZ2 3.97Å; F117-W145 HydrophobicContact CB-CZ3 4.39Å; R141-W145 WeakPolarHBondContact O-CB 3.33Å; R141-W145 PolarHBondContact O-N 3.09Å; V142-W145 WeakPolarHBondContact O-CB 3.07Å; V142-W145 PolarHBondContact O-N 3.09Å; V142-W145 VanDerWaalsContact O-N 3.13Å; Q143-W145 VanDerWaalsContact C-N 3.3Å; Q143-W145 PolarHBondContact O-N 3.22Å; W145-Q147 VanDerWaalsContact C-N 3.34Å; W145-Q147 PolarHBondContact O-N 3.42Å; W145-N148 PolarHBondContact O-N 2.96Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.14Å; W145-R149 HydrophobicContact CH2-CG 3.84Å; W145-R149 HydrophobicContact CZ3-CB 3.83Å; W145-R149 HydrophobicContact CZ3-CG 3.87Å; W145-R149 WeakPolarHBondContact O-CB 3.48Å; W145-R149 PolarHBondContact O-N 3.05Å |
| 146 | F | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.009 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 178.5 | -89 | -89.6 | 0 | 0 | 0 | 112.5 | L113 V116 F117 P123 L131 V142 Q143 R149 R150 | L113-F146 HydrophobicContact CD2-CD2 4.49Å; L113-F146 HydrophobicContact CD2-CE2 3.85Å; V116-F146 HydrophobicContact CB-CZ 4.29Å; V116-F146 HydrophobicContact CG1-CZ 4.11Å; F117-F146 HydrophobicContact CB-CE1 4.01Å; F117-F146 AromaticContact CD2-CD1 3.8Å; F117-F146 HydrophobicContact CD2-CD1 3.8Å; F117-F146 AromaticContact CD2-CE1 3.79Å; F117-F146 HydrophobicContact CD2-CE1 3.79Å; F117-F146 HydrophobicContact CG-CE1 4.41Å; P123-F146 HydrophobicContact CG-CD1 3.66Å; P123-F146 HydrophobicContact CG-CD2 4.08Å; P123-F146 HydrophobicContact CG-CE1 3.57Å; P123-F146 HydrophobicContact CG-CE2 4.02Å; P123-F146 HydrophobicContact CG-CG 3.93Å; P123-F146 HydrophobicContact CG-CZ 3.78Å; L131-F146 HydrophobicContact CD1-CE2 4.13Å; L131-F146 HydrophobicContact CD1-CZ 4.32Å; V142-F146 HydrophobicContact CG1-CD2 3.75Å; V142-F146 HydrophobicContact CG1-CE2 3.76Å; V142-F146 WeakPolarHBondContact O-CD2 3.38Å; V142-F146 PolarHBondContact O-N 3.01Å; Q143-F146 PolarHBondContact O-N 3.28Å; F146-R149 PolarHBondContact O-N 3.47Å; F146-R150 WeakPolarHBondContact O-CG 3.49Å; F146-R150 PolarHBondContact O-N 3.34Å |
| 147 | Q | 98.5 | Very high | 97 | Very high | 90 Ų | 90 | 70.8 Ų | 70.8 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 173.4 | -71.4 | 179.9 | 23.4 | 0 | 0 | 111.8 | Q143 V144 W145 R149 R150 A151 | Q143-Q147 WeakPolarHBondContact O-CG 3.47Å; Q143-Q147 PolarHBondContact O-N 3.12Å; V144-Q147 PolarHBondContact O-N 3.02Å; W145-Q147 VanDerWaalsContact C-N 3.34Å; W145-Q147 PolarHBondContact O-N 3.42Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.45Å; Q147-R150 PolarHBondContact O-N 2.97Å; Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.27Å |
| 148 | N | 98.2 | Very high | 96.5 | Very high | 103 Ų | 103 | 76.9 Ų | 76.9 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 178.2 | -72 | -27.9 | 0 | 0 | 0 | 111.9 | V144 W145 A151 K152 | V144-N148 WeakPolarHBondContact O-CB 3.49Å; V144-N148 VanDerWaalsContact O-CG 3.31Å; V144-N148 PolarHBondContact O-N 3.06Å; V144-N148 PolarHBondContact O-ND2 2.97Å; W145-N148 PolarHBondContact O-N 2.96Å; N148-A151 PolarHBondContact O-N 3.14Å; N148-K152 PolarHBondContact O-N 3.36Å |
| 149 | R | 98.2 | Very high | 95.9 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 26% | 0.26 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 177.8 | -175 | 67 | -165.4 | -167.4 | 0.3 | 111.3 | E114 F117 W145 F146 Q147 A151 K152 F153 | E114-R149 IonicContact OE1-CZ 3.71Å; E114-R149 IonicContact OE1-NH1 3Å; E114-R149 PolarHBondContact OE1-NH1 3.41Å; F117-R149 HydrophobicContact CD1-CG 4.1Å; F117-R149 HydrophobicContact CD2-CB 4.31Å; F117-R149 HydrophobicContact CD2-CG 3.62Å; F117-R149 HydrophobicContact CE1-CG 3.95Å; F117-R149 HydrophobicContact CE2-CB 4.07Å; F117-R149 HydrophobicContact CE2-CG 3.47Å; F117-R149 VanDerWaalsContact CE2-CG 3.47Å; F117-R149 HydrophobicContact CG-CG 3.94Å; F117-R149 HydrophobicContact CZ-CG 3.65Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.14Å; W145-R149 HydrophobicContact CH2-CG 3.84Å; W145-R149 HydrophobicContact CZ3-CB 3.83Å; W145-R149 HydrophobicContact CZ3-CG 3.87Å; W145-R149 WeakPolarHBondContact O-CB 3.48Å; W145-R149 PolarHBondContact O-N 3.05Å; F146-R149 PolarHBondContact O-N 3.47Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.45Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 2.85Å; R149-K152 PolarHBondContact O-N 3.21Å; R149-F153 PolarHBondContact O-N 2.95Å |
| 150 | R | 98.1 | Very high | 95.1 | Very high | 47 Ų | 47 | 76.5 Ų | 76.5 | 18% | 0.177 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 174.4 | -72.2 | -166.7 | -63.1 | -92.7 | 3.7 | 113 | F117 H121 Y122 F146 Q147 F153 R154 | F117-R150 HydrophobicContact CE2-CG 3.85Å; F117-R150 HydrophobicContact CZ-CG 4.39Å; H121-R150 HydrophobicContact CB-CG 4.42Å; H121-R150 VanDerWaalsContact O-CD 3.3Å; H121-R150 WeakPolarHBondContact O-CD 3.4Å; H121-R150 PolarHBondContact O-NH1 3Å; Y122-R150 VanDerWaalsContact CE1-NE 3.34Å; F146-R150 WeakPolarHBondContact O-CG 3.49Å; F146-R150 PolarHBondContact O-N 3.34Å; Q147-R150 PolarHBondContact O-N 2.97Å; R150-F153 PolarHBondContact O-N 3.49Å; R150-R154 WeakPolarHBondContact O-CG 3.46Å; R150-R154 PolarHBondContact O-N 3.43Å |
| 151 | A | 97.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 77.5 Ų | 77.5 | 37% | 0.372 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q147 N148 R149 K155 | Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.27Å; N148-A151 PolarHBondContact O-N 3.14Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 2.85Å; A151-K155 WeakPolarHBondContact O-CB 3.44Å; A151-K155 PolarHBondContact O-N 3.44Å; A151-K155 VanDerWaalsContact O-N 3.09Å |
| 152 | K | 97.1 | Very high | 93.5 | Very high | 115 Ų | 115 | 76.5 Ų | 76.5 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.4 | -171.6 | 179.7 | 178.1 | -175.4 | 0 | 111.6 | N148 R149 K155 Q156 | N148-K152 PolarHBondContact O-N 3.36Å; R149-K152 PolarHBondContact O-N 3.21Å; K152-K155 WeakPolarHBondContact O-CB 3.44Å; K152-K155 PolarHBondContact O-N 3.44Å; K152-K155 VanDerWaalsContact O-N 3.09Å; K152-Q156 WeakPolarHBondContact O-CG 3.48Å; K152-Q156 PolarHBondContact O-N 2.97Å |
| 153 | F | 96.3 | Very high | 92.5 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 29% | 0.285 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.4 | -53.1 | 177.4 | -176 | -95.5 | 0 | 0 | 0 | 111.8 | F117 H121 R149 R150 K155 Q156 E157 | F117-F153 HydrophobicContact CE1-CD2 4.5Å; F117-F153 HydrophobicContact CZ-CB 4.42Å; H121-F153 AromaticContact CE1-CZ 3.98Å; R149-F153 PolarHBondContact O-N 2.95Å; R150-F153 PolarHBondContact O-N 3.49Å; F153-K155 PolarHBondContact O-N 3.26Å; F153-K155 VanDerWaalsContact O-N 3.17Å; F153-Q156 PolarHBondContact O-N 3Å; F153-E157 VanDerWaalsContact CE1-CD 3.41Å; F153-E157 HydrophobicContact CE1-CG 4.24Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.46Å; F153-E157 HydrophobicContact CZ-CG 4.47Å; F153-E157 WeakPolarHBondContact CZ-OE1 3.45Å; F153-E157 PolarHBondContact O-N 3Å; F153-E157 VanDerWaalsContact O-N 3.12Å |
| 154 | R | 96.4 | Very high | 91.4 | Very high | 133 Ų | 133 | 78.8 Ų | 78.8 | 50% | 0.502 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -23.7 | 176 | -69.2 | -171.4 | -65.3 | 155.9 | -3.7 | 114.1 | R150 R158 | R150-R154 WeakPolarHBondContact O-CG 3.46Å; R150-R154 PolarHBondContact O-N 3.43Å; R154-R158 WeakPolarHBondContact O-CG 3.31Å; R154-R158 PolarHBondContact O-NE 3.47Å |
| 155 | K | 95.1 | Very high | 90.1 | Very high | 154 Ų | 154 | 78.6 Ų | 78.6 | 67% | 0.67 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -76.2 | -39.5 | 174.4 | -173.4 | 177.7 | 179.2 | -180 | 0 | 110.8 | A151 K152 F153 R158 A159 | A151-K155 WeakPolarHBondContact O-CB 3.44Å; A151-K155 PolarHBondContact O-N 3.44Å; A151-K155 VanDerWaalsContact O-N 3.09Å; K152-K155 WeakPolarHBondContact O-CB 3.44Å; K152-K155 PolarHBondContact O-N 3.44Å; K152-K155 VanDerWaalsContact O-N 3.09Å; F153-K155 PolarHBondContact O-N 3.26Å; F153-K155 VanDerWaalsContact O-N 3.17Å; K155-R158 PolarHBondContact O-N 3.39Å; K155-A159 WeakPolarHBondContact O-CB 3.5Å; K155-A159 PolarHBondContact O-N 3.38Å |
| 156 | Q | 91.8 | Very high | 88.5 | Confident | 103 Ų | 103 | 80.7 Ų | 80.7 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.4 | -73 | 173.8 | -24.2 | 0 | 0 | 111.8 | K152 F153 R158 A159 A160 | K152-Q156 WeakPolarHBondContact O-CG 3.48Å; K152-Q156 PolarHBondContact O-N 2.97Å; F153-Q156 PolarHBondContact O-N 3Å; Q156-R158 PolarHBondContact O-N 3.38Å; Q156-A159 PolarHBondContact O-N 2.98Å; Q156-A160 PolarHBondContact O-N 2.96Å |
| 157 | E | 87.8 | Confident | 86.8 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 176.2 | -68.4 | 179.9 | 145 | 0 | 0 | 112.3 | F153 A160 A161 | F153-E157 VanDerWaalsContact CE1-CD 3.41Å; F153-E157 HydrophobicContact CE1-CG 4.24Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.46Å; F153-E157 HydrophobicContact CZ-CG 4.47Å; F153-E157 WeakPolarHBondContact CZ-OE1 3.45Å; F153-E157 PolarHBondContact O-N 3Å; F153-E157 VanDerWaalsContact O-N 3.12Å; E157-A160 PolarHBondContact O-N 2.97Å; E157-A161 PolarHBondContact O-N 3.12Å |
| 158 | R | 86.7 | Confident | 84.9 | Confident | 164 Ų | 164 | 88.1 Ų | 88.1 | 62% | 0.619 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 177.3 | -77.1 | -175 | -82.1 | -173.8 | -3.7 | 112.9 | R154 K155 Q156 A161 A162 | R154-R158 WeakPolarHBondContact O-CG 3.31Å; R154-R158 PolarHBondContact O-NE 3.47Å; K155-R158 PolarHBondContact O-N 3.39Å; Q156-R158 PolarHBondContact O-N 3.38Å; R158-A161 PolarHBondContact O-N 3.42Å; R158-A162 WeakPolarHBondContact O-CB 3.43Å; R158-A162 PolarHBondContact O-N 3.47Å |
| 159 | A | 85.5 | Confident | 82.6 | Confident | 60 Ų | 60 | 90.7 Ų | 90.7 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K155 Q156 A162 A163 | K155-A159 WeakPolarHBondContact O-CB 3.5Å; K155-A159 PolarHBondContact O-N 3.38Å; Q156-A159 PolarHBondContact O-N 2.98Å; A159-A162 PolarHBondContact O-N 3.42Å; A159-A163 WeakPolarHBondContact O-CB 3.36Å; A159-A163 PolarHBondContact O-N 3.29Å |
| 160 | A | 83.1 | Confident | 80.2 | Confident | 63 Ų | 63 | 90.4 Ų | 90.4 | 52% | 0.521 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q156 E157 A163 A164 | Q156-A160 PolarHBondContact O-N 2.96Å; E157-A160 PolarHBondContact O-N 2.97Å; A160-A163 PolarHBondContact O-N 3.41Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.1Å |
| 161 | A | 80.8 | Confident | 77.6 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.5 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E157 R158 A164 A165 | E157-A161 PolarHBondContact O-N 3.12Å; R158-A161 PolarHBondContact O-N 3.42Å; A161-A164 PolarHBondContact O-N 3.46Å; A161-A165 PolarHBondContact O-N 3.07Å |
| 162 | A | 80.4 | Confident | 75.1 | Confident | 62 Ų | 62 | 94.6 Ų | 94.6 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R158 A159 A165 A166 | R158-A162 WeakPolarHBondContact O-CB 3.43Å; R158-A162 PolarHBondContact O-N 3.47Å; A159-A162 PolarHBondContact O-N 3.42Å; A162-A165 PolarHBondContact O-N 3.48Å; A162-A166 PolarHBondContact O-N 3.09Å |
| 163 | A | 77.6 | Confident | 72.5 | Confident | 62 Ų | 62 | 99 Ų | 99 | 51% | 0.512 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A159 A160 A166 A167 | A159-A163 WeakPolarHBondContact O-CB 3.36Å; A159-A163 PolarHBondContact O-N 3.29Å; A160-A163 PolarHBondContact O-N 3.41Å; A163-A166 PolarHBondContact O-N 3.46Å; A163-A167 PolarHBondContact O-N 3.42Å; A163-A167 VanDerWaalsContact O-N 3.1Å |
| 164 | A | 73.8 | Confident | 70.1 | Confident | 59 Ų | 59 | 105.9 Ų | 105.9 | 49% | 0.488 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.5 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A160 A161 A167 K168 | A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.1Å; A161-A164 PolarHBondContact O-N 3.46Å; A164-A167 PolarHBondContact O-N 3.38Å; A164-K168 PolarHBondContact O-N 3Å |
| 165 | A | 71.7 | Confident | 67.4 | Low | 59 Ų | 59 | 104.7 Ų | 104.7 | 49% | 0.488 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.3 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A161 A162 A167 K168 | A161-A165 PolarHBondContact O-N 3.07Å; A162-A165 PolarHBondContact O-N 3.48Å; A165-A167 VanDerWaalsContact C-N 3.32Å; A165-A167 PolarHBondContact O-N 3.35Å; A165-K168 PolarHBondContact O-N 2.83Å |
| 166 | A | 65.6 | Low | 64.7 | Low | 70 Ų | 70 | 104 Ų | 104 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.6 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A162 A163 K168 N169 | A162-A166 PolarHBondContact O-N 3.09Å; A163-A166 PolarHBondContact O-N 3.46Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 3.02Å; A166-N169 PolarHBondContact O-N 3.21Å |
| 167 | A | 61.7 | Low | 62.4 | Low | 77 Ų | 77 | 103.2 Ų | 103.2 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.7 | -27.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A163 A164 A165 | A163-A167 PolarHBondContact O-N 3.42Å; A163-A167 VanDerWaalsContact O-N 3.1Å; A164-A167 PolarHBondContact O-N 3.38Å; A165-A167 VanDerWaalsContact C-N 3.32Å; A165-A167 PolarHBondContact O-N 3.35Å |
| 168 | K | 58.5 | Low | 60.4 | Low | 170 Ų | 170 | 109.9 Ų | 109.9 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.3 | -25.5 | 178.1 | -70.6 | -153.3 | 175.3 | -171.7 | 0 | 114.1 | A164 A165 A166 G170 S171 | A164-K168 PolarHBondContact O-N 3Å; A165-K168 PolarHBondContact O-N 2.83Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 3.02Å; K168-G170 VanDerWaalsContact C-N 3.31Å; K168-G170 PolarHBondContact O-N 3.16Å; K168-S171 PolarHBondContact O-OG 3.48Å |
| 169 | N | 49.8 | Very low | 58.3 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 85% | 0.845 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 1.4 | 175.9 | -79.4 | -10.9 | 0 | 0 | 0 | 114.4 | A166 | A166-N169 PolarHBondContact O-N 3.21Š|
| 170 | G | 48.1 | Very low | 56.4 | Low | 63 Ų | 63 | 115.7 Ų | 115.7 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 1.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | K168 G172 | K168-G170 VanDerWaalsContact C-N 3.31Å; K168-G170 PolarHBondContact O-N 3.16Å; G170-G172 PolarHBondContact O-N 3.36Å; G170-G172 VanDerWaalsContact O-N 3.16Å |
| 171 | S | 45.1 | Very low | 54.5 | Low | 113 Ų | 113 | 119 Ų | 119 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -89.7 | 69.5 | -177.6 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | K168 | K168-S171 PolarHBondContact O-OG 3.48Š| ||
| 172 | G | 45.3 | Very low | 52.9 | Low | 67 Ų | 67 | 120 Ų | 120 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | trans | -171.3 | 42.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G170 | G170-G172 PolarHBondContact O-N 3.36Å; G170-G172 VanDerWaalsContact O-N 3.16Å | ||
| 173 | K | 40.7 | Very low | 51.3 | Low | 208 Ų | 208 | 127.1 Ų | 127.1 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | trans | -163 | 105.1 | 152.6 | -116.5 | 157.7 | 177.6 | 173.8 | 0 | 111 | ||||
| 174 | K | 47.4 | Very low | 49.5 | Very low | 209 Ų | 209 | 132.4 Ų | 132.4 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -113.7 | 116.1 | 169.1 | -172.2 | -176.3 | -173.9 | -177.5 | 0 | 107.4 | ||||
| 175 | S | 40.1 | Very low | 48.1 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 166.5 | 127 | 160.1 | 52.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 176 | D | 37.3 | Very low | 47 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | -162.9 | 150.8 | 30.8 | -168.2 | -101.2 | 0 | 0 | 0 | 110.1 | ||||
| 177 | S | 44.6 | Very low | 45.8 | Very low | 85 Ų | 85 | 142 Ų | 142 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | trans | -31.9 | 148.3 | 167.2 | 16.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 178 | R | 44.8 | Very low | 45 | Very low | 248 Ų | 248 | 142.9 Ų | 142.9 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | -169.9 | 128 | 127.3 | -98.7 | 162.9 | -160.4 | -177.7 | 5 | 112 | |||||
| 179 | E | 42.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -75.8 | 141.6 | 178.5 | -68.1 | -166.7 | 142.5 | 0 | 0 | 112.5 | ||||
| 180 | E | 45.3 | Very low | 45.3 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | 86.2 | 122.2 | 107.7 | -159 | -150.5 | 158.4 | 0 | 0 | 114.9 | |||||
| 181 | D | 43.7 | Very low | 44.7 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | 177.1 | 114.5 | 122.8 | -169.3 | -138 | 0 | 0 | 0 | 112.9 | |||||
| 182 | S | 47.7 | Very low | 44.7 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | trans | 21.5 | 125.7 | 143.3 | -41.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 183 | K | 47 | Very low | 44.7 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | -164.1 | 120.2 | 108.7 | -104.8 | 173 | -171 | 175 | 0 | 113.7 | |||||
| 184 | E | 38.7 | Very low | 44.5 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -68.8 | 137.8 | 169.9 | 178.9 | 162 | 108.6 | 0 | 0 | 111.9 | K186 | E184-K186 HydrophobicContact CG-CB 4.46Š| ||
| 185 | A | 45.5 | Very low | 44.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | trans | -138.6 | 96.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 186 | K | 46.9 | Very low | 44.7 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -80.6 | 130.1 | 167.5 | 171.8 | 173.3 | 179.1 | -178.4 | 0 | 108.9 | E184 | E184-K186 HydrophobicContact CG-CB 4.46Š| ||
| 187 | S | 42.2 | Very low | 44.6 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -143.1 | 101.6 | 153.8 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 188 | T | 43.4 | Very low | 45 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 58% | 0.583 | 78% | 0.78 | S | S | * | * | trans | -34.5 | 147.7 | 140.8 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 189 | D | 47.6 | Very low | 45.1 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | cis | -172.1 | -176 | 19.4 | -111.2 | -31.3 | 0 | 0 | 0 | 107.6 | ||||
| 190 | P | 66.8 | Low | 44.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -103 | -179.1 | -155.1 | 41.1 | -35.7 | 0 | 0 | 0 | 115.6 | ||||
| 191 | D | 37.2 | Very low | 45.2 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | trans | 123.1 | 141.9 | 139.4 | -161.2 | 45.4 | 0 | 0 | 0 | 118.8 | ||||
| 192 | S | 44.1 | Very low | 45.5 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | trans | 84.9 | 99.9 | 152.6 | -83.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 193 | T | 45.5 | Very low | 45.2 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | 60.2 | 113.1 | 109.5 | -51.3 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 194 | G | 37.3 | Very low | 45.1 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 171.2 | 105.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 195 | G | 37.6 | Very low | 45.1 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -75.2 | -148.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 196 | P | 53.6 | Low | 44.6 | Very low | 137 Ų | 137 | 122.1 Ų | 122.1 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | -122 | 157 | -89.6 | 36.2 | -26.6 | 0 | 0 | 0 | 115.7 | |||||
| 197 | G | 35.1 | Very low | 44 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | 95.3 | 168.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 198 | P | 51.8 | Low | 43.8 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | cis | -127.9 | 176.9 | -25 | 37.4 | -20 | 0 | 0 | 0 | 114.1 | ||||
| 199 | N | 47.7 | Very low | 44.3 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -22.9 | 139.4 | 172.4 | -81.4 | -20 | 0 | 0 | 0 | 119.2 | ||||
| 200 | S | 37.8 | Very low | 44.1 | Very low | 121 Ų | 121 | 115.3 Ų | 115.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -151.1 | 110 | 145.5 | -71.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 201 | V | 51.6 | Low | 43.6 | Very low | 130 Ų | 130 | 115.2 Ų | 115.2 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -66.1 | 149.4 | 164.1 | -122.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 202 | P | 51.2 | Low | 43.7 | Very low | 120 Ų | 120 | 115 Ų | 115 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -111.6 | 111.7 | 146.8 | 31.3 | -20.4 | 0 | 0 | 0 | 109.7 | ||||
| 203 | T | 40.9 | Very low | 43.3 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -69.8 | 138.2 | 155.7 | 51.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 204 | S | 43.9 | Very low | 42.7 | Very low | 128 Ų | 128 | 111.8 Ų | 111.8 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -146 | 137 | 155.1 | -80.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 205 | N | 40.2 | Very low | 42.5 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -122.7 | 134.7 | -150.8 | 177.8 | 82.4 | 0 | 0 | 0 | 108.2 | ||||
| 206 | C | 34.3 | Very low | 42.6 | Very low | 129 Ų | 129 | 120 Ų | 120 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -157.1 | 125.6 | 156.6 | 55.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 207 | G | 33.6 | Very low | 41.7 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | 134.1 | 93.5 | 25.8 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 208 | G | 37.6 | Very low | 42 | Very low | 73 Ų | 73 | 123.3 Ų | 123.3 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -67.9 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 209 | P | 55 | Low | 41.2 | Very low | 134 Ų | 134 | 122 Ų | 122 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | -141.9 | 155.3 | 91.3 | 34.8 | -19.1 | 0 | 0 | 0 | 115.5 | |||||
| 210 | S | 43 | Very low | 40.6 | Very low | 106 Ų | 106 | 120.6 Ų | 120.6 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -95.2 | 170.9 | 162.5 | -151.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 211 | P | 56.4 | Low | 40.3 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | -127.6 | 128.2 | 128.1 | 30 | -17.4 | 0 | 0 | 0 | 110.5 | |||||
| 212 | T | 39.6 | Very low | 39.3 | Very low | 141 Ų | 141 | 120.9 Ų | 120.9 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | 48 | 127.7 | 91 | -4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 213 | G | 35.6 | Very low | 38.3 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | 158.7 | 161.2 | 7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 214 | G | 32.9 | Very low | 37.8 | Very low | 79 Ų | 79 | 121 Ų | 121 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 113.1 | 144.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 215 | Q | 34 | Very low | 37.6 | Very low | 190 Ų | 190 | 120.7 Ų | 120.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | cis | -163.2 | 166 | -13.1 | -127.9 | -173.6 | 10.5 | 0 | 0 | 106.1 | ||||
| 216 | V | 39.5 | Very low | 37.3 | Very low | 132 Ų | 132 | 121 Ų | 121 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -55.3 | 150.6 | 178.8 | -67.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 217 | N | 33.7 | Very low | 37.3 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -158.9 | 136.6 | 132.8 | -146.2 | 2.4 | 0 | 0 | 0 | 113.5 | ||||
| 218 | V | 40.8 | Very low | 37.3 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -109.8 | 132.3 | 171.2 | 165.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 219 | S | 35.3 | Very low | 37 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -167.9 | 108.4 | 160.5 | -70.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 220 | S | 35.3 | Very low | 35.7 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | 41.8 | 116.2 | 84.6 | -83.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 221 | G | 31.1 | Very low | 35.3 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 167.4 | 105.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 222 | N | 31.8 | Very low | 34.2 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -53.1 | 158.1 | 174.5 | -90.5 | -33 | 0 | 0 | 0 | 116.1 | ||||
| 223 | G | 29.7 | Very low | 34.1 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | 124.1 | 136.9 | 116.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 224 | Q | 31.6 | Very low | 34.6 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 82.1 | 100 | 152.4 | -115.8 | 161.5 | -18.6 | 0 | 0 | 117.5 | ||||
| 225 | V | 37.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | 45.6 | 114.6 | 78.3 | -48.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 226 | D | 35 | Very low | 34.7 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -150 | 116.9 | 138.7 | -95.5 | -41.6 | 0 | 0 | 0 | 110.4 | ||||
| 227 | Q | 34.2 | Very low | 34.5 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -93.1 | 136.8 | 161 | -80.9 | -164 | 47.7 | 0 | 0 | 108.5 | ||||
| 228 | V | 33.9 | Very low | 34.4 | Very low | 136 Ų | 136 | 126 Ų | 126 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -147 | 95.8 | 146.7 | -159.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 229 | K | 30.1 | Very low | 34.1 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | 65.2 | 124.7 | 83.6 | -142.3 | -163 | -175.8 | 178 | 0 | 115 | |||||
| 230 | T | 29.1 | Very low | 34.4 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.693 | 80% | 0.798 | S | S | * | * | trans | 71.5 | 140.5 | 148.1 | 43.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 231 | S | 33.7 | Very low | 35.1 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | 176.3 | 170.5 | 4.2 | 38.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | V | 34.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 95.2 | 106.5 | 155.1 | -171.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 233 | A | 36.2 | Very low | 35.6 | Very low | 87 Ų | 87 | 129.3 Ų | 129.3 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -80.7 | 168.1 | 145.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 234 | P | 46.6 | Very low | 35.6 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | cis | -141.8 | -169.5 | 22.5 | 38.8 | -16.7 | 0 | 0 | 0 | 114.1 | ||||
| 235 | G | 31.4 | Very low | 35.7 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 137.5 | 126.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 236 | M | 38.3 | Very low | 35.6 | Very low | 190 Ų | 190 | 132 Ų | 132 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 153.6 | -174.1 | -62 | 142 | 59.4 | 0 | 0 | 114.9 | ||||
| 237 | C | 34.5 | Very low | 35.8 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | trans | -158.7 | 114.9 | 136.3 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 238 | G | 31.1 | Very low | 36 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | 83.1 | 125.9 | 95 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 239 | N | 35.9 | Very low | 37.1 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | cis | -168.3 | 125.3 | 28.3 | -103.8 | 23.5 | 0 | 0 | 0 | 106.6 | ||||
| 240 | T | 40.9 | Very low | 37.4 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | 70.4 | 153 | 105.5 | 60 | 0 | 0 | 0 | 0 | 118 | |||||
| 241 | P | 49.9 | Very low | 38.1 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -122.3 | -167.2 | -134.5 | 44.6 | -33.9 | 0 | 0 | 0 | 115.1 | ||||
| 242 | S | 33.8 | Very low | 38.3 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 96.2 | 110.3 | 145.4 | -172.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 243 | Q | 40.1 | Very low | 38.5 | Very low | 188 Ų | 188 | 124.8 Ų | 124.8 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | 23.2 | 127.8 | 122.6 | -67.2 | -98.1 | -7.9 | 0 | 0 | 118 | |||||
| 244 | G | 29.1 | Very low | 38.7 | Very low | 71 Ų | 71 | 125.4 Ų | 125.4 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 173.4 | 91.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 245 | W | 34 | Very low | 38.8 | Very low | 256 Ų | 256 | 127 Ų | 127 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | trans | -160.2 | 98.1 | 137.8 | 55 | -56 | 0 | 0 | 0 | 109.5 | ||||
| 246 | A | 35.4 | Very low | 39.6 | Very low | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -127.8 | 124.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 247 | S | 38.4 | Very low | 40.3 | Very low | 129 Ų | 129 | 127 Ų | 127 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -142.3 | 122.2 | 153.4 | -78.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 248 | A | 39.6 | Very low | 41.3 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -84.6 | -156.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 249 | P | 55.8 | Low | 42.1 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | -111.3 | 159.6 | -74.3 | 33.2 | -19.4 | 0 | 0 | 0 | 111.5 | |||||
| 250 | G | 37.9 | Very low | 42.7 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -161.1 | 121.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 251 | T | 43 | Very low | 42.9 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -80 | 159.7 | 173.7 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 252 | I | 37.3 | Very low | 43.4 | Very low | 146 Ų | 146 | 124.1 Ų | 124.1 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 101.3 | 123.1 | 156.5 | -35.4 | 173 | 0 | 0 | 0 | 117 | ||||
| 253 | T | 38.3 | Very low | 44.3 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | 106.6 | 110.8 | 138.6 | -6.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 254 | S | 42.2 | Very low | 45.2 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 54.4 | 100.1 | 143 | 56.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 255 | I | 48.1 | Very low | 46.3 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -75.7 | 123 | 152.4 | -58 | 176.6 | 0 | 0 | 0 | 107 | D257 | I255-D257 PolarHBondContact O-N 3.08Š| ||
| 256 | P | 48 | Very low | 47.3 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -69.5 | 113.6 | 166.7 | 26.8 | -30.3 | 0 | 0 | 0 | 109.5 | S258 | P256-S258 PolarHBondContact O-N 3.49Š| ||
| 257 | D | 52.9 | Low | 48 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 117.6 | 158.2 | -173.6 | -85.1 | 0 | 0 | 0 | 108.7 | I255 | I255-D257 PolarHBondContact O-N 3.08Š| ||
| 258 | S | 54.6 | Low | 48.4 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | 152.5 | 103.4 | 152 | -80.5 | 0 | 0 | 0 | 0 | 108.9 | P256 | P256-S258 PolarHBondContact O-N 3.49Š| ||
| 259 | L | 48.9 | Very low | 48.8 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | -163.6 | 80.1 | 127.8 | -79.8 | -162.5 | 0 | 0 | 0 | 107.1 | G261 | L259-G261 PolarHBondContact O-N 3.03Š| |||
| 260 | G | 48.5 | Very low | 48.4 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 106 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 261 | G | 46.1 | Very low | 49 | Very low | 44 Ų | 44 | 131.2 Ų | 131.2 | 45% | 0.454 | 79% | 0.793 | S | S | . | * | trans | -84 | 144.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L259 F263 A264 | L259-G261 PolarHBondContact O-N 3.03Å; G261-F263 PolarHBondContact O-N 3.46Å; G261-A264 PolarHBondContact O-N 3.26Å | ||
| 262 | P | 59.6 | Low | 48.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 38 | -169.3 | 33.6 | -38.1 | 0 | 0 | 0 | 114.7 | ||
| 263 | F | 53.1 | Low | 49.1 | Very low | 204 Ų | 204 | 135 Ų | 135 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.2 | 9.9 | 171.4 | -68.5 | -73.1 | 0 | 0 | 0 | 114 | G261 S265 | G261-F263 PolarHBondContact O-N 3.46Å; F263-S265 PolarHBondContact O-N 3.44Å |
| 264 | A | 57.9 | Low | 49.3 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | -96.8 | 63.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G261 | G261-A264 PolarHBondContact O-N 3.26Š| ||
| 265 | S | 52.8 | Low | 49.2 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -167.4 | 86.5 | 165.6 | -81.1 | 0 | 0 | 0 | 0 | 109.5 | F263 | F263-S265 PolarHBondContact O-N 3.44Š| ||
| 266 | V | 54.8 | Low | 49 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -169.9 | 67.9 | 136.5 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | ||
| 267 | L | 50.6 | Low | 48.9 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -147.8 | 74.8 | 156.5 | -81.9 | -174.4 | 0 | 0 | 0 | 108.7 | ||||
| 268 | S | 46.2 | Very low | 48.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -172.2 | 87.3 | 154.2 | -96.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 269 | S | 48.1 | Very low | 48.5 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -153.8 | 69.9 | 149.7 | -161.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 270 | L | 48.2 | Very low | 48.6 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -161.2 | 69.6 | 151.3 | -137.4 | 73.6 | 0 | 0 | 0 | 110.1 | ||||
| 271 | Q | 49.7 | Very low | 48.5 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -108.3 | 101.4 | 160.4 | -170.4 | 71.1 | 20.6 | 0 | 0 | 108.7 | ||||
| 272 | R | 40 | Very low | 48.7 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 70% | 0.698 | 81% | 0.805 | S | S | * | * | trans | -47.9 | 127.7 | 163.3 | -179.9 | -174.4 | -101.9 | -94.2 | 5.2 | 110.5 | N274 | R272-N274 PolarHBondContact NH1-ND2 3.34Š| ||
| 273 | Q | 42.5 | Very low | 48.4 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -107.1 | 93.7 | 159.2 | -88.4 | -93.2 | -33.9 | 0 | 0 | 107.6 | ||||
| 274 | N | 42.3 | Very low | 48.2 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -88.5 | 123.5 | 149.4 | -93.2 | -3.4 | 0 | 0 | 0 | 105.9 | R272 | R272-N274 PolarHBondContact NH1-ND2 3.34Š| ||
| 275 | G | 39.6 | Very low | 47.8 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | 175.4 | 94.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 276 | A | 44.8 | Very low | 47.7 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -48.4 | 145.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 277 | K | 46.6 | Very low | 47.4 | Very low | 196 Ų | 196 | 148.3 Ų | 148.3 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | -148.9 | 112.7 | 122.7 | -66.9 | -158.4 | 179.9 | 175.9 | 0 | 110.4 | T279 | K277-T279 PolarHBondContact O-N 3.36Š| |||
| 278 | A | 48.4 | Very low | 47.2 | Very low | 104 Ų | 104 | 147 Ų | 147 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 126.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 279 | T | 50 | Low | 47.3 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -121.1 | 104 | 166.5 | -29.4 | 0 | 0 | 0 | 0 | 107.6 | K277 V281 | K277-T279 PolarHBondContact O-N 3.36Å; T279-V281 PolarHBondContact O-N 3.41Å | ||
| 280 | L | 49.8 | Very low | 47.2 | Very low | 153 Ų | 153 | 150.1 Ų | 150.1 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | -41.2 | 111.9 | 165.7 | -176.6 | 98.1 | 0 | 0 | 0 | 111.2 | K282 | L280-K282 HydrophobicContact CD2-CB 4.44Å; L280-K282 HydrophobicContact CG-CB 4.25Å | ||
| 281 | V | 46.4 | Very low | 47.2 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | trans | -100.5 | 97.1 | 160.2 | -175.9 | 0 | 0 | 0 | 0 | 107 | T279 | T279-V281 PolarHBondContact O-N 3.41Š| ||
| 282 | K | 50.2 | Low | 47 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -128.1 | 98.4 | 168.7 | -176.1 | 173.3 | -177.6 | 173.7 | 0 | 108.3 | L280 | L280-K282 HydrophobicContact CD2-CB 4.44Å; L280-K282 HydrophobicContact CG-CB 4.25Å | ||
| 283 | T | 53.5 | Low | 47.5 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -162 | 107.8 | 163.7 | -58.1 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 284 | S | 50.1 | Low | 47.9 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | cis | 61.8 | 112.6 | 41.6 | -162.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 285 | M | 49.8 | Very low | 48.3 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | trans | 78.4 | 124.1 | 173 | -50.3 | -171.2 | 176.1 | 0 | 0 | 113.7 | ||||
| 286 | F | 50.7 | Low | 49.1 | Very low | 272 Ų | 272 | 149.1 Ų | 149.1 | 100% | 1.193 | 83% | 0.826 | S | S | * | * | cis | -137.5 | 0 | 16.8 | -100.6 | -96.9 | 0 | 0 | 0 | 109.9 |
Retrieved 286 of 286 residues in 563.1 ms
(Link to these results)