| 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 | 44 | Very low | 50.5 | Low | 237 Ų | 237 | 164.3 Ų | 164.3 | 100% | 1.167 | 78% | 0.784 | S | S | * | * | 0 | 125.9 | 0 | -71.2 | 103.8 | 137.1 | 0 | 0 | 109 | |||||
| 2 | Y | 42.9 | Very low | 51 | Low | 240 Ų | 240 | 156.3 Ų | 156.3 | 94% | 0.941 | 76% | 0.759 | S | S | * | * | trans | -121.7 | 122.4 | 163 | -86.7 | -84.6 | 0 | 0 | 0 | 107.6 | ||||
| 3 | K | 43.8 | Very low | 51.3 | Low | 172 Ų | 172 | 149.2 Ų | 149.2 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -108.2 | 99.5 | 177.2 | -156.3 | -177.9 | -173.6 | -149.7 | 0 | 107 | E5 | K3-E5 WeakPolarHBondContact CD-OE1 3.02Å; K3-E5 WeakPolarHBondContact CE-OE1 3.21Å; K3-E5 IonicContact NZ-OE1 3.29Å; K3-E5 PolarHBondContact NZ-OE1 3.02Å; K3-E5 PolarHBondContact O-N 3.22Å | ||
| 4 | M | 55.8 | Low | 51.3 | Low | 174 Ų | 174 | 151.3 Ų | 151.3 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | trans | -75.3 | 100.8 | 164.6 | -84.9 | -160.2 | -173.1 | 0 | 0 | 107.6 | Y6 | M4-Y6 PolarHBondContact O-N 2.63Š| ||
| 5 | E | 51 | Low | 51.4 | Low | 128 Ų | 128 | 149.9 Ų | 149.9 | 60% | 0.598 | 73% | 0.73 | S | S | * | * | trans | -71.4 | 114.9 | 166.1 | -67.4 | -67.9 | 172.9 | 0 | 0 | 108.4 | K3 S7 | K3-E5 WeakPolarHBondContact CD-OE1 3.02Å; K3-E5 WeakPolarHBondContact CE-OE1 3.21Å; K3-E5 IonicContact NZ-OE1 3.29Å; K3-E5 PolarHBondContact NZ-OE1 3.02Å; K3-E5 PolarHBondContact O-N 3.22Å; E5-S7 PolarHBondContact O-N 3.34Å | ||
| 6 | Y | 46.6 | Very low | 51.7 | Low | 190 Ų | 190 | 146.1 Ų | 146.1 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | trans | -80.6 | 85.2 | -173.4 | -133.3 | -99.9 | 0 | 0 | 0 | 109.9 | M4 Y8 | M4-Y6 PolarHBondContact O-N 2.63Å; Y6-Y8 HydrophobicContact CD1-CD2 4.48Å; Y6-Y8 HydrophobicContact CE1-CD2 4.32Å; Y6-Y8 PolarHBondContact O-N 2.81Å | ||
| 7 | S | 54.8 | Low | 51.7 | Low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | -71.7 | 37.4 | -177.6 | 51.9 | 0 | 0 | 0 | 0 | 114.7 | E5 | E5-S7 PolarHBondContact O-N 3.34Š| ||
| 8 | Y | 52.8 | Low | 52 | Low | 204 Ų | 204 | 142.4 Ų | 142.4 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | -98.7 | 3.9 | -178.2 | -113.6 | -78 | 0 | 0 | 0 | 114.6 | Y6 | Y6-Y8 HydrophobicContact CD1-CD2 4.48Å; Y6-Y8 HydrophobicContact CE1-CD2 4.32Å; Y6-Y8 PolarHBondContact O-N 2.81Å | ||
| 9 | L | 54.4 | Low | 52.2 | Low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -108.6 | 51.4 | 171.5 | -78.4 | 165 | 0 | 0 | 0 | 111 | S11 | L9-S11 PolarHBondContact O-N 2.72Š| ||
| 10 | N | 52.3 | Low | 52.1 | Low | 104 Ų | 104 | 135.3 Ų | 135.3 | 56% | 0.556 | 71% | 0.708 | S | S | * | * | trans | -76.6 | 77.1 | 165.8 | -171.7 | 16.3 | 0 | 0 | 0 | 110.3 | S12 A13 | N10-S12 PolarHBondContact ND2-OG 3.09Å; N10-S12 PolarHBondContact O-N 3.46Å; N10-S12 VanDerWaalsContact O-N 3.09Å; N10-S12 PolarHBondContact OD1-OG 3.19Å; N10-A13 PolarHBondContact O-N 3.4Å | ||
| 11 | S | 57.1 | Low | 52.1 | Low | 79 Ų | 79 | 136 Ų | 136 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -54.5 | -28.4 | -179.4 | -136.9 | 0 | 0 | 0 | 0 | 113.1 | L9 A13 Y14 E15 | L9-S11 PolarHBondContact O-N 2.72Å; S11-A13 VanDerWaalsContact C-N 3.31Å; S11-A13 PolarHBondContact O-N 3.44Å; S11-Y14 PolarHBondContact O-N 3.04Å; S11-E15 PolarHBondContact O-N 3.25Å |
| 12 | S | 56.3 | Low | 52.4 | Low | 69 Ų | 69 | 129.5 Ų | 129.5 | 48% | 0.483 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -62.5 | -31.1 | -178.3 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | N10 S16 | N10-S12 PolarHBondContact ND2-OG 3.09Å; N10-S12 PolarHBondContact O-N 3.46Å; N10-S12 VanDerWaalsContact O-N 3.09Å; N10-S12 PolarHBondContact OD1-OG 3.19Å; S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 2.94Å |
| 13 | A | 55.4 | Low | 53 | Low | 64 Ų | 64 | 123.9 Ų | 123.9 | 53% | 0.529 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72.9 | -31.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N10 S11 C17 | N10-A13 PolarHBondContact O-N 3.4Å; S11-A13 VanDerWaalsContact C-N 3.31Å; S11-A13 PolarHBondContact O-N 3.44Å; A13-C17 PolarHBondContact O-N 3.26Å |
| 14 | Y | 50.7 | Low | 53.4 | Low | 178 Ų | 178 | 119 Ų | 119 | 70% | 0.698 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.9 | -40.7 | 177.6 | -151.4 | -94.3 | 0 | 0 | 0 | 111.3 | S11 C17 M18 | S11-Y14 PolarHBondContact O-N 3.04Å; Y14-C17 PolarHBondContact O-N 3.47Å; Y14-M18 HydrophobicContact CD1-SD 4.29Å; Y14-M18 HydrophobicContact CE1-CG 4.46Å; Y14-M18 HydrophobicContact CE1-SD 3.94Å; Y14-M18 PolarHBondContact O-N 3.28Å; Y14-M18 VanDerWaalsContact O-N 3.17Å |
| 15 | E | 52.9 | Low | 53.3 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64 | -41.4 | 172.8 | -75.6 | -171.5 | 111.5 | 0 | 0 | 112.2 | S11 C17 M18 A19 | S11-E15 PolarHBondContact O-N 3.25Å; E15-C17 VanDerWaalsContact C-N 3.26Å; E15-C17 PolarHBondContact O-N 3.38Å; E15-M18 CarbonylContact O-C 3.6Å; E15-M18 PolarHBondContact O-N 2.9Å; E15-M18 VanDerWaalsContact O-N 3.08Å; E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 2.91Å |
| 16 | S | 55.9 | Low | 53.3 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 62% | 0.622 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64 | -31.5 | 177.3 | -167.4 | 0 | 0 | 0 | 0 | 112.8 | S12 G20 | S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 2.94Å; S16-G20 PolarHBondContact O-N 3.42Å |
| 17 | C | 52.9 | Low | 53.4 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 64% | 0.635 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.6 | -34.4 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 113 | A13 Y14 E15 | A13-C17 PolarHBondContact O-N 3.26Å; Y14-C17 PolarHBondContact O-N 3.47Å; E15-C17 VanDerWaalsContact C-N 3.26Å; E15-C17 PolarHBondContact O-N 3.38Å |
| 18 | M | 55.8 | Low | 53.1 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 65% | 0.645 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -87.5 | -26.4 | 179.2 | -65.4 | -159.2 | 73.9 | 0 | 0 | 113.5 | Y14 E15 | Y14-M18 HydrophobicContact CD1-SD 4.29Å; Y14-M18 HydrophobicContact CE1-CG 4.46Å; Y14-M18 HydrophobicContact CE1-SD 3.94Å; Y14-M18 PolarHBondContact O-N 3.28Å; Y14-M18 VanDerWaalsContact O-N 3.17Å; E15-M18 CarbonylContact O-C 3.6Å; E15-M18 PolarHBondContact O-N 2.9Å; E15-M18 VanDerWaalsContact O-N 3.08Å |
| 19 | A | 56.9 | Low | 52.9 | Low | 85 Ų | 85 | 100.3 Ų | 100.3 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.5 | -17.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E15 M21 | E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 2.91Å; A19-M21 VanDerWaalsContact C-N 3.3Å; A19-M21 PolarHBondContact O-N 3.06Å |
| 20 | G | 50.1 | Low | 52.5 | Low | 58 Ų | 58 | 102 Ų | 102 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 2.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S16 | S16-G20 PolarHBondContact O-N 3.42Š|
| 21 | M | 52 | Low | 52.2 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 74% | 0.744 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -97.2 | 92.6 | 170.8 | -65.8 | -173.3 | 80.9 | 0 | 0 | 109.2 | A19 T23 | A19-M21 VanDerWaalsContact C-N 3.3Å; A19-M21 PolarHBondContact O-N 3.06Å; M21-T23 PolarHBondContact O-N 2.96Å |
| 22 | D | 50.8 | Low | 51.8 | Low | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | trans | -56.6 | 124.8 | 178.9 | 45.8 | -78.7 | 0 | 0 | 0 | 112.1 | S24 S25 | D22-S24 PolarHBondContact O-N 3.39Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 PolarHBondContact OD2-OG 2.63Å; D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.21Å; D22-S25 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 23 | T | 54.5 | Low | 51.1 | Low | 123 Ų | 123 | 109.9 Ų | 109.9 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.1 | -15.2 | -174.2 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | M21 A27 | M21-T23 PolarHBondContact O-N 2.96Å; T23-A27 PolarHBondContact O-N 3.19Å |
| 24 | S | 52.1 | Low | 51.1 | Low | 70 Ų | 70 | 111.8 Ų | 111.8 | 49% | 0.49 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62 | -39.1 | 167.1 | 35 | 0 | 0 | 0 | 0 | 113.2 | D22 A27 S28 | D22-S24 PolarHBondContact O-N 3.39Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 PolarHBondContact OD2-OG 2.63Å; S24-A27 PolarHBondContact O-N 2.95Å; S24-S28 PolarHBondContact O-N 3.49Å; S24-S28 PolarHBondContact O-OG 3.15Å |
| 25 | S | 53.3 | Low | 50.7 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.5 | -36.1 | -178.3 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | D22 S28 A29 | D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.21Å; D22-S25 WeakPolarHBondContact OD2-CB 3.43Å; S25-S28 PolarHBondContact O-N 3.01Å; S25-A29 PolarHBondContact O-N 3.4Å; S25-A29 VanDerWaalsContact O-N 3.11Å |
| 26 | L | 52.9 | Low | 49.8 | Very low | 123 Ų | 123 | 108.3 Ų | 108.3 | 64% | 0.644 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70 | -32.5 | 173.8 | -172.5 | 62.6 | 0 | 0 | 0 | 112.6 | Y30 | L26-Y30 HydrophobicContact CD1-CE2 4.48Å |
| 27 | A | 46.7 | Very low | 49.9 | Very low | 65 Ų | 65 | 109.5 Ų | 109.5 | 54% | 0.537 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -70.5 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T23 S24 Y30 A31 | T23-A27 PolarHBondContact O-N 3.19Å; S24-A27 PolarHBondContact O-N 2.95Å; A27-Y30 PolarHBondContact O-N 2.71Å; A27-A31 PolarHBondContact O-N 3.46Å |
| 28 | S | 49.7 | Very low | 49.5 | Very low | 73 Ų | 73 | 114.1 Ų | 114.1 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -65.8 | -38.5 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | S24 S25 Y30 A31 | S24-S28 PolarHBondContact O-N 3.49Å; S24-S28 PolarHBondContact O-OG 3.15Å; S25-S28 PolarHBondContact O-N 3.01Å; S28-Y30 PolarHBondContact O-N 3.14Å; S28-Y30 VanDerWaalsContact O-N 3.07Å; S28-A31 PolarHBondContact O-N 3.38Å |
| 29 | A | 47.9 | Very low | 49.1 | Very low | 81 Ų | 81 | 112.4 Ų | 112.4 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.6 | -15.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S25 | S25-A29 PolarHBondContact O-N 3.4Å; S25-A29 VanDerWaalsContact O-N 3.11Å |
| 30 | Y | 46.7 | Very low | 48.4 | Very low | 200 Ų | 200 | 114.5 Ų | 114.5 | 78% | 0.784 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -106.3 | -5.9 | 175 | -86.8 | -82.4 | 0 | 0 | 0 | 114.3 | L26 A27 S28 | L26-Y30 HydrophobicContact CD1-CE2 4.48Å; A27-Y30 PolarHBondContact O-N 2.71Å; S28-Y30 PolarHBondContact O-N 3.14Å; S28-Y30 VanDerWaalsContact O-N 3.07Å |
| 31 | A | 46 | Very low | 48.2 | Very low | 68 Ų | 68 | 114.8 Ų | 114.8 | 56% | 0.562 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -84.9 | -27.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A27 S28 F33 | A27-A31 PolarHBondContact O-N 3.46Å; S28-A31 PolarHBondContact O-N 3.38Å; A31-F33 PolarHBondContact O-N 3.36Å |
| 32 | D | 47.7 | Very low | 47.4 | Very low | 145 Ų | 145 | 118 Ų | 118 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 42.2 | -172.5 | -81.2 | -51.3 | 0 | 0 | 0 | 115.4 | ||
| 33 | F | 41.6 | Very low | 47.2 | Very low | 204 Ų | 204 | 122 Ų | 122 | 90% | 0.895 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -6.6 | 164.8 | -164.1 | -105.8 | 0 | 0 | 0 | 114.3 | A31 | A31-F33 PolarHBondContact O-N 3.36Š|
| 34 | S | 55.1 | Low | 46.2 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -114.4 | -3.9 | -162.1 | -150.6 | 0 | 0 | 0 | 0 | 118 | ||
| 35 | S | 43.3 | Very low | 45.5 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -172.8 | 98.8 | 162.4 | -89.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 36 | C | 34.5 | Very low | 44.8 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -162 | 105.2 | 134.6 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | Q38 | C36-Q38 PolarHBondContact O-N 2.85Å; C36-Q38 VanDerWaalsContact O-N 3.15Å | ||
| 37 | S | 58.5 | Low | 44.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -73.2 | 93.4 | 156.7 | 54 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 38 | Q | 44.3 | Very low | 44 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -171.3 | 155 | 146.2 | -109.2 | 158.7 | 106.4 | 0 | 0 | 113.5 | C36 | C36-Q38 PolarHBondContact O-N 2.85Å; C36-Q38 VanDerWaalsContact O-N 3.15Å | ||
| 39 | A | 47.4 | Very low | 43.3 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 128.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 40 | S | 42.1 | Very low | 43.3 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | 173.8 | 139.3 | 149.6 | 36.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 41 | G | 45.1 | Very low | 42.8 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | cis | 163.1 | 80.7 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 42 | F | 34.8 | Very low | 42.3 | Very low | 219 Ų | 219 | 145.1 Ų | 145.1 | 96% | 0.961 | 81% | 0.809 | S | S | * | * | trans | -126.9 | 130 | 165.3 | -89 | -79 | 0 | 0 | 0 | 110.8 | ||||
| 43 | Q | 47 | Very low | 42.1 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -87.1 | 128.9 | -165.1 | -63.5 | 176.2 | -22.6 | 0 | 0 | 111.7 | ||||
| 44 | Y | 32.8 | Very low | 42.1 | Very low | 236 Ų | 236 | 139.7 Ų | 139.7 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -130.9 | 142 | 141.2 | -106.4 | -88.6 | 0 | 0 | 0 | 109.3 | P46 | Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.42Å | ||
| 45 | N | 38.2 | Very low | 41.4 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -106.2 | 107.1 | -150.3 | -179.5 | 8.5 | 0 | 0 | 0 | 112.7 | ||||
| 46 | P | 38.1 | Very low | 41.3 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -85.2 | 112.1 | 163.1 | 32.4 | -30.5 | 0 | 0 | 0 | 110 | Y44 R48 | Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-R48 PolarHBondContact O-N 3.15Å | ||
| 47 | I | 41.8 | Very low | 41.5 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | trans | -67.1 | 121.4 | 178.9 | -72.4 | -176.6 | 0 | 0 | 0 | 111 | ||||
| 48 | R | 41.4 | Very low | 41.1 | Very low | 212 Ų | 212 | 139.1 Ų | 139.1 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | 71.4 | 102.4 | 164.1 | -66.8 | 174.3 | -168.6 | -71.2 | -1.5 | 118.5 | P46 | P46-R48 PolarHBondContact O-N 3.15Š| ||
| 49 | T | 35.8 | Very low | 41.2 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -130.1 | 133.4 | 135.6 | -45.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 50 | T | 46.4 | Very low | 41 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 64% | 0.638 | 82% | 0.815 | S | S | * | * | trans | -116.5 | 159.8 | 174.9 | 65.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 51 | F | 37.1 | Very low | 41.6 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | trans | 70.5 | 107 | 177.2 | -76.5 | -85 | 0 | 0 | 0 | 119 | ||||
| 52 | G | 34.3 | Very low | 42.1 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | 108.1 | 87.2 | 109.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 53 | A | 45.4 | Very low | 42.6 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -78.3 | 138.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 54 | T | 41 | Very low | 42.4 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | -163.6 | 158 | 133.7 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 55 | S | 40.7 | Very low | 43 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | 69.4 | 128.5 | 166.4 | 70.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 56 | G | 40.1 | Very low | 43.8 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 163.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 57 | C | 39.4 | Very low | 44.4 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 128.5 | 178.8 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 58 | P | 49.4 | Very low | 44.8 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.1 | 170.2 | 29.7 | -33.4 | 0 | 0 | 0 | 111 | ||
| 59 | S | 46.3 | Very low | 44.9 | Very low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133.6 | -179 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 60 | L | 43.8 | Very low | 45.8 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 116.6 | 175.9 | -70.4 | 171.5 | 0 | 0 | 0 | 110.6 | ||
| 61 | T | 55.1 | Low | 46 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 155.9 | 166 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | G63 | T61-G63 PolarHBondContact O-N 3.36Š|
| 62 | P | 55.9 | Low | 46.6 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83 | 116.1 | -177.6 | 31.6 | -32.3 | 0 | 0 | 0 | 111.2 | ||
| 63 | G | 44.3 | Very low | 47.4 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -163.5 | 121.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T61 | T61-G63 PolarHBondContact O-N 3.36Š| ||
| 64 | S | 43.4 | Very low | 47.4 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | 46.2 | 106.7 | 156.1 | -162.1 | 0 | 0 | 0 | 0 | 119.4 | S66 | S64-S66 PolarHBondContact O-N 3.04Å; S64-S66 PolarHBondContact OG-OG 3.21Å | ||
| 65 | C | 45.3 | Very low | 47.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 91% | 0.905 | 81% | 0.809 | S | S | * | * | trans | -74 | 82.7 | 163.4 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 66 | S | 53.9 | Low | 48.3 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 116.4 | 169 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | S64 G68 | S64-S66 PolarHBondContact O-N 3.04Å; S64-S66 PolarHBondContact OG-OG 3.21Å; S66-G68 PolarHBondContact O-N 2.99Å | ||
| 67 | L | 52.2 | Low | 49.2 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | trans | -83.9 | 111 | -175.7 | -167.3 | 142.2 | 0 | 0 | 0 | 110.9 | ||||
| 68 | G | 49.3 | Very low | 49.7 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 83.2 | 108.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | S66 | S66-G68 PolarHBondContact O-N 2.99Š| ||
| 69 | T | 43.7 | Very low | 50.1 | Low | 141 Ų | 141 | 136.7 Ų | 136.7 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -139.8 | 145.3 | 142.1 | 47.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 70 | L | 54.4 | Low | 50.6 | Low | 150 Ų | 150 | 135.3 Ų | 135.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -22.7 | 128.3 | 169.6 | -94 | 55.9 | 0 | 0 | 0 | 115.4 | ||||
| 71 | R | 51.8 | Low | 51.3 | Low | 233 Ų | 233 | 132 Ų | 132 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -103.7 | 108.6 | 143.7 | -177.9 | 66.4 | 78.8 | -170.9 | 7 | 107.8 | ||||
| 72 | D | 47.9 | Very low | 51.3 | Low | 126 Ų | 126 | 131.9 Ų | 131.9 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | -47.8 | 138.6 | 177.1 | -106.8 | -101 | 0 | 0 | 0 | 113.7 | Q74 | D72-Q74 PolarHBondContact O-N 3.2Å; D72-Q74 VanDerWaalsContact O-N 3.13Å | ||
| 73 | H | 51.9 | Low | 50.9 | Low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -74.6 | 97.2 | 172.3 | -90 | -101.9 | 0 | 0 | 0 | 110.1 | S75 | H73-S75 PolarHBondContact O-N 2.78Š| ||
| 74 | Q | 45.8 | Very low | 51.5 | Low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -58.4 | 120.1 | 157.2 | -85.5 | -80.4 | 9.3 | 0 | 0 | 108.8 | D72 S76 | D72-Q74 PolarHBondContact O-N 3.2Å; D72-Q74 VanDerWaalsContact O-N 3.13Å; Q74-S76 PolarHBondContact O-N 3.05Å | ||
| 75 | S | 48.3 | Very low | 51.9 | Low | 104 Ų | 104 | 143 Ų | 143 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -68.9 | 110.7 | -174.1 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | H73 | H73-S75 PolarHBondContact O-N 2.78Š| ||
| 76 | S | 51.2 | Low | 51.9 | Low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -77.3 | 122.8 | 167.7 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | Q74 Y78 | Q74-S76 PolarHBondContact O-N 3.05Å; S76-Y78 PolarHBondContact O-N 2.92Å | ||
| 77 | P | 59.1 | Low | 51.9 | Low | 124 Ų | 124 | 146.8 Ų | 146.8 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -84.4 | 58.7 | -173.2 | 35.9 | -37.2 | 0 | 0 | 0 | 112.3 | ||
| 78 | Y | 51.6 | Low | 51.6 | Low | 220 Ų | 220 | 144 Ų | 144 | 86% | 0.863 | 78% | 0.778 | S | S | * | * | trans | -137.1 | 72.6 | 165.3 | -134.9 | -94.3 | 0 | 0 | 0 | 110.8 | S76 | S76-Y78 PolarHBondContact O-N 2.92Š| ||
| 79 | A | 56.2 | Low | 51.6 | Low | 91 Ų | 91 | 146.9 Ų | 146.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -77.8 | 156.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 80 | A | 57.9 | Low | 52.1 | Low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 64.9 | 82.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 81 | V | 59 | Low | 51.9 | Low | 100 Ų | 100 | 139 Ų | 139 | 61% | 0.606 | 76% | 0.757 | S | S | * | * | -109 | 129.1 | 128.2 | -72.1 | 0 | 0 | 0 | 0 | 108.8 | Y83 | V81-Y83 HydrophobicContact CG2-CD2 3.97Å; V81-Y83 HydrophobicContact CG2-CE2 3.39Å; V81-Y83 PolarHBondContact O-N 3.27Å | |||
| 82 | P | 55.1 | Low | 51.9 | Low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -80.3 | 91.6 | -173.8 | 31.2 | -34.3 | 0 | 0 | 0 | 111.3 | K84 | P82-K84 PolarHBondContact O-N 2.82Š| ||
| 83 | Y | 45.9 | Very low | 51.7 | Low | 200 Ų | 200 | 132.4 Ų | 132.4 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | -72.5 | 72.8 | 171.6 | -73.3 | -71.6 | 0 | 0 | 0 | 112 | V81 | V81-Y83 HydrophobicContact CG2-CD2 3.97Å; V81-Y83 HydrophobicContact CG2-CE2 3.39Å; V81-Y83 PolarHBondContact O-N 3.27Å | ||
| 84 | K | 57.8 | Low | 51.8 | Low | 192 Ų | 192 | 130.7 Ų | 130.7 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | -136.9 | 46.9 | 173.3 | -76.1 | -69.2 | -170.9 | 172.3 | 0 | 112 | P82 | P82-K84 PolarHBondContact O-N 2.82Š| ||
| 85 | L | 52 | Low | 52.2 | Low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | -152.2 | 39.4 | 167.8 | -154.1 | 58.8 | 0 | 0 | 0 | 116.1 | ||||
| 86 | F | 45.2 | Very low | 52.6 | Low | 170 Ų | 170 | 135.9 Ų | 135.9 | 75% | 0.746 | 73% | 0.732 | S | S | * | * | trans | -125.1 | 53 | 162.4 | -71.2 | -68.3 | 0 | 0 | 0 | 111.4 | D88 | F86-D88 PolarHBondContact O-N 3.15Š| ||
| 87 | T | 54.6 | Low | 53.1 | Low | 148 Ų | 148 | 140.3 Ų | 140.3 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | trans | -89.6 | 62.9 | 156.8 | -51 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 88 | D | 44.9 | Very low | 53.7 | Low | 122 Ų | 122 | 141.4 Ų | 141.4 | 65% | 0.652 | 73% | 0.733 | S | S | * | * | trans | -170.5 | 121.7 | 136.5 | -166.9 | -87.1 | 0 | 0 | 0 | 109.6 | F86 G90 | F86-D88 PolarHBondContact O-N 3.15Å; D88-G90 PolarHBondContact OD1-N 2.79Å | ||
| 89 | H | 49.8 | Very low | 55.1 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -136.2 | 58.6 | 160.1 | -78.4 | -27.6 | 0 | 0 | 0 | 108.7 | G91 | H89-G91 PolarHBondContact O-N 2.9Š| ||
| 90 | G | 53.3 | Low | 56.4 | Low | 58 Ų | 58 | 148.5 Ų | 148.5 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | 121.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D88 | D88-G90 PolarHBondContact OD1-N 2.79Š|
| 91 | G | 50.3 | Low | 57.8 | Low | 68 Ų | 68 | 150.8 Ų | 150.8 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.7 | -2.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | H89 | H89-G91 PolarHBondContact O-N 2.9Š|
| 92 | L | 52.2 | Low | 59.3 | Low | 134 Ų | 134 | 156.7 Ų | 156.7 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -117.2 | -3.7 | -175.3 | -65.7 | 179.9 | 0 | 0 | 0 | 117 | ||
| 93 | N | 44.6 | Very low | 61.1 | Low | 86 Ų | 86 | 153.1 Ų | 153.1 | 46% | 0.46 | 72% | 0.724 | S | S | . | * | trans | -92.7 | -11.1 | -177.8 | -78 | -68.7 | 0 | 0 | 0 | 115.7 | K95 R96 | N93-K95 PolarHBondContact O-N 3.18Å; N93-R96 PolarHBondContact O-N 2.64Å | ||
| 94 | E | 53.1 | Low | 63.4 | Low | 150 Ų | 150 | 149.3 Ų | 149.3 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -17.5 | 177.7 | -116.9 | 57.4 | -144.9 | 0 | 0 | 115.2 | R96 | E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.75Å |
| 95 | K | 54.3 | Low | 65.2 | Low | 186 Ų | 186 | 143 Ų | 143 | 81% | 0.809 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -8.3 | 179.3 | -67.9 | 165.7 | -177.6 | 169.7 | 0 | 113 | N93 K97 | N93-K95 PolarHBondContact O-N 3.18Å; K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 2.78Å |
| 96 | R | 57.5 | Low | 67.4 | Low | 206 Ų | 206 | 139.3 Ų | 139.3 | 78% | 0.777 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -82.6 | 72.5 | 177.3 | -170.2 | 173.4 | -87.4 | 156.8 | -6 | 111.9 | N93 E94 | N93-R96 PolarHBondContact O-N 2.64Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.75Å |
| 97 | K | 61 | Low | 69.9 | Low | 198 Ų | 198 | 135.1 Ų | 135.1 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | trans | 56.4 | 61.9 | 166.5 | -64.5 | 174.9 | 177.1 | 173.8 | 0 | 115 | K95 R99 | K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 2.78Å; K97-R99 PolarHBondContact O-N 3.09Å | ||
| 98 | Q | 71.4 | Confident | 71.9 | Confident | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | trans | -58.7 | 113.2 | 164.8 | -174.6 | 63.5 | -9.7 | 0 | 0 | 110.1 | R100 | Q98-R100 PolarHBondContact O-N 3.24Š| ||
| 99 | R | 81.3 | Confident | 74.4 | Confident | 223 Ų | 223 | 127.1 Ų | 127.1 | 84% | 0.842 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.2 | -179.6 | -168.4 | 178.7 | -173.4 | -143.6 | 5.5 | 108.3 | K97 I101 | K97-R99 PolarHBondContact O-N 3.09Å; R99-I101 PolarHBondContact O-N 3.3Å |
| 100 | R | 82.5 | Confident | 76.7 | Confident | 237 Ų | 237 | 123.9 Ų | 123.9 | 89% | 0.894 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 127.1 | 178.9 | -67.3 | -168.7 | -171.8 | -150.2 | 6 | 109.8 | Q98 R102 | Q98-R100 PolarHBondContact O-N 3.24Å; R100-R102 PolarHBondContact O-N 3.48Å |
| 101 | I | 87.4 | Confident | 78.8 | Confident | 140 Ų | 140 | 128 Ų | 128 | 72% | 0.718 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 133.5 | -179.7 | -56.1 | -57.1 | 0 | 0 | 0 | 109.5 | R99 | R99-I101 PolarHBondContact O-N 3.3Š|
| 102 | R | 91.9 | Very high | 81 | Confident | 225 Ų | 225 | 126.4 Ų | 126.4 | 85% | 0.849 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 126.6 | 179.9 | -177 | 180 | -179.5 | -177.7 | 1.2 | 109.4 | R100 T104 | R100-R102 PolarHBondContact O-N 3.48Å; R102-T104 PolarHBondContact O-N 3.31Å |
| 103 | T | 92.1 | Very high | 83.2 | Confident | 46 Ų | 46 | 120 Ų | 120 | 28% | 0.282 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 126.3 | 170.6 | -47.2 | 0 | 0 | 0 | 0 | 110.3 | L137 R141 | T103-L137 HydrophobicContact CG2-CD2 3.89Å; T103-R141 WeakPolarHBondContact OG1-CD 3.19Å |
| 104 | T | 94.4 | Very high | 85.8 | Confident | 120 Ų | 120 | 119.7 Ų | 119.7 | 74% | 0.736 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 127.6 | 169 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | R102 | R102-T104 PolarHBondContact O-N 3.31Š|
| 105 | F | 95.7 | Very high | 87.9 | Confident | 60 Ų | 60 | 117.6 Ų | 117.6 | 26% | 0.263 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 138.5 | -179.7 | -58.9 | -98.2 | 0 | 0 | 0 | 110 | L110 L113 L137 W145 | F105-L110 HydrophobicContact CB-CD1 4.42Å; F105-L110 HydrophobicContact CB-CD2 3.73Å; F105-L110 HydrophobicContact CB-CG 3.82Å; F105-L110 HydrophobicContact CG-CD2 4.16Å; F105-L113 HydrophobicContact CD1-CD1 3.88Å; F105-L113 HydrophobicContact CE1-CD1 4.02Å; F105-L137 HydrophobicContact CD1-CD1 3.53Å; F105-L137 HydrophobicContact CE1-CD1 3.42Å; F105-L137 VanDerWaalsContact CE1-CD1 3.42Å; F105-W145 HydrophobicContact CE1-CB 4.29Å; F105-W145 AromaticContact CE1-CD1 3.79Å; F105-W145 HydrophobicContact CE1-CG 4.31Å; F105-W145 AromaticContact CE2-CD1 3.8Å; F105-W145 HydrophobicContact CZ-CB 4.01Å; F105-W145 AromaticContact CZ-CD1 3.63Å; F105-W145 HydrophobicContact CZ-CG 4.19Å |
| 106 | T | 97.9 | Very high | 89.9 | Confident | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 162 | 171.8 | 79.2 | 0 | 0 | 0 | 0 | 110.8 | A108 Q109 L110 | T106-A108 VanDerWaalsContact C-N 3.26Å; T106-A108 PolarHBondContact O-N 2.89Å; T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.48Å; T106-Q109 PolarHBondContact OG1-N 3.06Å; T106-L110 WeakPolarHBondContact O-CG 3.23Å; T106-L110 PolarHBondContact O-N 3.41Å |
| 107 | S | 97.2 | Very high | 91.8 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.2 | -36.7 | 177 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | L110 K111 | S107-L110 PolarHBondContact O-N 2.86Å; S107-K111 WeakPolarHBondContact O-CG 3.35Å; S107-K111 PolarHBondContact O-N 3.09Å; S107-K111 VanDerWaalsContact O-N 3.08Å |
| 108 | A | 97 | Very high | 93.6 | Very high | 72 Ų | 72 | 94.4 Ų | 94.4 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.9 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T106 L110 K111 E112 | T106-A108 VanDerWaalsContact C-N 3.26Å; T106-A108 PolarHBondContact O-N 2.89Å; A108-L110 VanDerWaalsContact C-N 3.31Å; A108-L110 PolarHBondContact O-N 3.4Å; A108-K111 PolarHBondContact O-N 3.49Å; A108-E112 PolarHBondContact O-N 3.45Å |
| 109 | Q | 97.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 93.5 Ų | 93.5 | 14% | 0.14 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.1 | -64 | 173.2 | -34.1 | 0 | 0 | 111.4 | T106 E112 L113 I135 | T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.48Å; T106-Q109 PolarHBondContact OG1-N 3.06Å; Q109-E112 PolarHBondContact O-N 3.28Å; Q109-L113 WeakPolarHBondContact O-CB 3.42Å; Q109-L113 WeakPolarHBondContact O-CD1 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å; Q109-L113 VanDerWaalsContact O-N 3.09Å; Q109-I135 HydrophobicContact CB-CB 4.38Å; Q109-I135 HydrophobicContact CG-CB 4.08Å; Q109-I135 PolarHBondContact NE2-O 2.97Å |
| 110 | L | 97.9 | Very high | 95.5 | Very high | 60 Ų | 60 | 85.4 Ų | 85.4 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.4 | -70.1 | 174.6 | 0 | 0 | 0 | 112.7 | F105 T106 S107 A108 E112 L113 E114 W145 | F105-L110 HydrophobicContact CB-CD1 4.42Å; F105-L110 HydrophobicContact CB-CD2 3.73Å; F105-L110 HydrophobicContact CB-CG 3.82Å; F105-L110 HydrophobicContact CG-CD2 4.16Å; T106-L110 WeakPolarHBondContact O-CG 3.23Å; T106-L110 PolarHBondContact O-N 3.41Å; S107-L110 PolarHBondContact O-N 2.86Å; A108-L110 VanDerWaalsContact C-N 3.31Å; A108-L110 PolarHBondContact O-N 3.4Å; L110-E112 PolarHBondContact O-N 3.08Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-E114 WeakPolarHBondContact O-CB 3.37Å; L110-E114 WeakPolarHBondContact O-CG 3.37Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-W145 HydrophobicContact CD2-CZ2 4.27Å; L110-W145 VanDerWaalsContact CD2-NE1 3.28Å |
| 111 | K | 97.9 | Very high | 96.2 | Very high | 143 Ų | 143 | 77.5 Ų | 77.5 | 62% | 0.622 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 177.3 | -73.3 | 170.6 | -176.3 | -177.9 | 0 | 112 | S107 A108 E114 R115 | S107-K111 WeakPolarHBondContact O-CG 3.35Å; S107-K111 PolarHBondContact O-N 3.09Å; S107-K111 VanDerWaalsContact O-N 3.08Å; A108-K111 PolarHBondContact O-N 3.49Å; K111-E114 PolarHBondContact O-N 3.27Å; K111-R115 WeakPolarHBondContact O-CB 3.19Å; K111-R115 PolarHBondContact O-N 2.74Å |
| 112 | E | 97.4 | Very high | 96.7 | Very high | 35 Ų | 35 | 78.3 Ų | 78.3 | 16% | 0.164 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 179.5 | -169.9 | 62.2 | -160.7 | 0 | 0 | 112 | A108 Q109 L110 R115 V116 L131 K134 I135 | A108-E112 PolarHBondContact O-N 3.45Å; Q109-E112 PolarHBondContact O-N 3.28Å; L110-E112 PolarHBondContact O-N 3.08Å; E112-R115 WeakPolarHBondContact O-CB 3.34Å; E112-R115 PolarHBondContact O-N 3.25Å; E112-R115 IonicContact OE1-CZ 2.72Å; E112-R115 VanDerWaalsContact OE1-CZ 3.29Å; E112-R115 IonicContact OE1-NE 2.63Å; E112-R115 PolarHBondContact OE1-NE 3.38Å; E112-R115 IonicContact OE1-NH2 3.15Å; E112-R115 PolarHBondContact OE1-NH2 2.91Å; E112-R115 IonicContact OE2-NE 3.8Å; E112-R115 PolarHBondContact OE2-NE 2.98Å; E112-V116 PolarHBondContact O-N 3.43Å; E112-L131 HydrophobicContact CG-CD2 3.8Å; E112-K134 VanDerWaalsContact CD-NZ 3.32Å; E112-K134 HydrophobicContact CG-CD 4.14Å; E112-K134 WeakPolarHBondContact OE1-CE 3.43Å; E112-K134 IonicContact OE1-NZ 3.59Å; E112-K134 PolarHBondContact OE1-NZ 3.14Å; E112-K134 IonicContact OE2-NZ 2.63Å; E112-I135 HydrophobicContact CB-CG2 3.98Å; E112-I135 HydrophobicContact CG-CG2 3.93Å |
| 113 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 173.6 | -72.2 | 167.1 | 0 | 0 | 0 | 112.4 | F105 Q109 L110 F117 I135 V142 W145 F146 | F105-L113 HydrophobicContact CD1-CD1 3.88Å; F105-L113 HydrophobicContact CE1-CD1 4.02Å; Q109-L113 WeakPolarHBondContact O-CB 3.42Å; Q109-L113 WeakPolarHBondContact O-CD1 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å; Q109-L113 VanDerWaalsContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.43Å; L113-F117 WeakPolarHBondContact O-CB 3.3Å; L113-F117 PolarHBondContact O-N 3.02Å; L113-I135 HydrophobicContact CD1-CD1 3.93Å; L113-I135 HydrophobicContact CD2-CD1 3.69Å; L113-I135 HydrophobicContact CG-CD1 3.73Å; L113-V142 HydrophobicContact CD2-CG1 3.96Å; L113-V142 HydrophobicContact CD2-CG2 4.48Å; L113-W145 HydrophobicContact CB-CD2 4.14Å; L113-W145 HydrophobicContact CB-CE3 4.02Å; L113-W145 HydrophobicContact CB-CH2 3.7Å; L113-W145 HydrophobicContact CB-CZ2 3.79Å; L113-W145 HydrophobicContact CB-CZ3 3.82Å; L113-W145 HydrophobicContact CD1-CD2 3.93Å; L113-W145 HydrophobicContact CD1-CE3 4.49Å; L113-W145 HydrophobicContact CD1-CG 3.97Å; L113-W145 HydrophobicContact CD2-CD2 4.46Å; L113-W145 HydrophobicContact CD2-CE3 4.26Å; L113-W145 HydrophobicContact CG-CD2 4.42Å; L113-F146 HydrophobicContact CD2-CD2 4.47Å; L113-F146 HydrophobicContact CD2-CE2 3.83Å |
| 114 | E | 97.8 | Very high | 97.2 | Very high | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.6 | -32.3 | 175.9 | -73.1 | -173 | 145.1 | 0 | 0 | 112.7 | L110 K111 F117 A118 W145 R149 | L110-E114 WeakPolarHBondContact O-CB 3.37Å; L110-E114 WeakPolarHBondContact O-CG 3.37Å; L110-E114 PolarHBondContact O-N 3.04Å; K111-E114 PolarHBondContact O-N 3.27Å; E114-F117 PolarHBondContact O-N 3.33Å; E114-A118 PolarHBondContact O-N 3.14Å; E114-W145 HydrophobicContact CG-CH2 3.81Å; E114-W145 HydrophobicContact CG-CZ2 3.95Å; E114-R149 IonicContact OE1-CZ 3.17Å; E114-R149 IonicContact OE1-NH1 2.62Å; E114-R149 PolarHBondContact OE1-NH1 3.05Å; E114-R149 IonicContact OE1-NH2 3.18Å; E114-R149 PolarHBondContact OE1-NH2 3.27Å |
| 115 | R | 97.8 | Very high | 97.3 | Very high | 106 Ų | 106 | 67 Ų | 67 | 40% | 0.4 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.6 | -55.1 | 172 | -174.3 | -169.5 | 67.6 | 74.6 | -1.1 | 110.9 | K111 E112 F117 A118 E119 | K111-R115 WeakPolarHBondContact O-CB 3.19Å; K111-R115 PolarHBondContact O-N 2.74Å; E112-R115 WeakPolarHBondContact O-CB 3.34Å; E112-R115 PolarHBondContact O-N 3.25Å; E112-R115 IonicContact OE1-CZ 2.72Å; E112-R115 VanDerWaalsContact OE1-CZ 3.29Å; E112-R115 IonicContact OE1-NE 2.63Å; E112-R115 PolarHBondContact OE1-NE 3.38Å; E112-R115 IonicContact OE1-NH2 3.15Å; E112-R115 PolarHBondContact OE1-NH2 2.91Å; E112-R115 IonicContact OE2-NE 3.8Å; E112-R115 PolarHBondContact OE2-NE 2.98Å; R115-F117 VanDerWaalsContact C-N 3.3Å; R115-F117 PolarHBondContact O-N 2.91Å; R115-A118 WeakPolarHBondContact O-CB 3.45Å; R115-A118 PolarHBondContact O-N 3.38Å; R115-A118 VanDerWaalsContact O-N 3.14Å; R115-E119 IonicContact CZ-OE1 3.46Å; R115-E119 VanDerWaalsContact NH1-CD 3.26Å; R115-E119 IonicContact NH1-OE1 3.01Å; R115-E119 PolarHBondContact NH1-OE1 3.17Å; R115-E119 IonicContact NH1-OE2 2.71Å; R115-E119 PolarHBondContact NH1-OE2 3.33Å; R115-E119 VanDerWaalsContact NH1-OE2 3.15Å; R115-E119 PolarHBondContact O-N 3.1Å |
| 116 | V | 97.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.2 | -30.4 | 179 | 177.8 | 0 | 0 | 0 | 0 | 111.9 | E112 A118 E119 T120 P123 T127 L131 F146 | E112-V116 PolarHBondContact O-N 3.43Å; V116-A118 VanDerWaalsContact C-N 3.26Å; V116-A118 PolarHBondContact O-N 3.29Å; V116-E119 PolarHBondContact O-N 3.05Å; V116-E119 VanDerWaalsContact O-N 3.15Å; V116-T120 HydrophobicContact CG1-CG2 4.43Å; V116-T120 PolarHBondContact O-N 3.21Å; V116-T120 VanDerWaalsContact O-O 3.13Å; V116-P123 HydrophobicContact CG1-CB 4.33Å; V116-T127 HydrophobicContact CG1-CG2 4.13Å; V116-L131 HydrophobicContact CB-CD1 3.95Å; V116-L131 HydrophobicContact CG1-CD1 3.95Å; V116-L131 HydrophobicContact CG2-CD1 3.99Å; V116-L131 HydrophobicContact CG2-CD2 3.83Å; V116-L131 HydrophobicContact CG2-CG 4.21Å; V116-F146 HydrophobicContact CB-CZ 4.34Å; V116-F146 HydrophobicContact CG1-CZ 4.21Å |
| 117 | F | 97.6 | Very high | 97.4 | Very high | 13 Ų | 13 | 71 Ų | 71 | 6% | 0.057 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.4 | -32.2 | 172.9 | -171.6 | -95.2 | 0 | 0 | 0 | 112.9 | L113 E114 R115 T120 H121 W145 F146 R149 R150 F153 | L113-F117 WeakPolarHBondContact O-CB 3.3Å; L113-F117 PolarHBondContact O-N 3.02Å; E114-F117 PolarHBondContact O-N 3.33Å; R115-F117 VanDerWaalsContact C-N 3.3Å; R115-F117 PolarHBondContact O-N 2.91Å; F117-T120 CarbonylContact O-C 3.39Å; F117-H121 AromaticContact CD1-CD2 3.67Å; F117-H121 AromaticContact CE1-CD2 3.24Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.35Å; F117-H121 AromaticContact CE1-NE2 3.49Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.38Å; F117-H121 HydrophobicContact CE2-CB 4.14Å; F117-H121 AromaticContact CE2-CD2 3.61Å; F117-H121 HydrophobicContact CZ-CB 4.38Å; F117-H121 AromaticContact CZ-CD2 3.2Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.37Å; F117-H121 AromaticContact CZ-CG 3.95Å; F117-H121 AromaticContact CZ-NE2 3.8Å; F117-H121 PolarHBondContact O-CD2 3.18Å; F117-W145 HydrophobicContact CB-CH2 4.49Å; F117-W145 HydrophobicContact CB-CZ3 4.32Å; F117-W145 HydrophobicContact CD2-CZ3 4.45Å; F117-F146 HydrophobicContact CB-CE1 3.97Å; F117-F146 HydrophobicContact CB-CZ 4.46Å; F117-F146 AromaticContact CD2-CD1 3.81Å; F117-F146 HydrophobicContact CD2-CD1 3.81Å; F117-F146 AromaticContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CG-CE1 4.39Å; F117-R149 HydrophobicContact CD1-CG 4Å; F117-R149 HydrophobicContact CD2-CB 4.21Å; F117-R149 HydrophobicContact CD2-CG 3.53Å; F117-R149 HydrophobicContact CE1-CG 3.85Å; F117-R149 HydrophobicContact CE2-CB 3.97Å; F117-R149 HydrophobicContact CE2-CG 3.37Å; F117-R149 HydrophobicContact CG-CG 3.85Å; F117-R149 HydrophobicContact CZ-CB 4.47Å; F117-R149 HydrophobicContact CZ-CG 3.55Å; F117-R150 HydrophobicContact CE2-CG 3.91Å; F117-R150 HydrophobicContact CZ-CG 4.48Å; F117-F153 HydrophobicContact CE1-CD2 4.42Å; F117-F153 HydrophobicContact CZ-CB 4.38Å |
| 118 | A | 97.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 69.2 Ų | 69.2 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -72.3 | -28.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E114 R115 V116 | E114-A118 PolarHBondContact O-N 3.14Å; R115-A118 WeakPolarHBondContact O-CB 3.45Å; R115-A118 PolarHBondContact O-N 3.38Å; R115-A118 VanDerWaalsContact O-N 3.14Å; V116-A118 VanDerWaalsContact C-N 3.26Å; V116-A118 PolarHBondContact O-N 3.29Å |
| 119 | E | 96.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 60% | 0.598 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -78.3 | -47.3 | 174.1 | -70.9 | 160.4 | -161.8 | 0 | 0 | 111.5 | R115 V116 | R115-E119 IonicContact CZ-OE1 3.46Å; R115-E119 VanDerWaalsContact NH1-CD 3.26Å; R115-E119 IonicContact NH1-OE1 3.01Å; R115-E119 PolarHBondContact NH1-OE1 3.17Å; R115-E119 IonicContact NH1-OE2 2.71Å; R115-E119 PolarHBondContact NH1-OE2 3.33Å; R115-E119 VanDerWaalsContact NH1-OE2 3.15Å; R115-E119 PolarHBondContact O-N 3.1Å; V116-E119 PolarHBondContact O-N 3.05Å; V116-E119 VanDerWaalsContact O-N 3.15Å |
| 120 | T | 96.6 | Very high | 97.5 | Very high | 53 Ų | 53 | 74.7 Ų | 74.7 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | trans | -148.7 | 128.2 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | V116 F117 Y122 P123 | V116-T120 HydrophobicContact CG1-CG2 4.43Å; V116-T120 PolarHBondContact O-N 3.21Å; V116-T120 VanDerWaalsContact O-O 3.13Å; F117-T120 CarbonylContact O-C 3.39Å; T120-Y122 PolarHBondContact O-N 2.62Å; T120-Y122 VanDerWaalsContact OG1-C 3.27Å; T120-Y122 PolarHBondContact OG1-N 2.94Å; T120-Y122 PolarHBondContact OG1-O 3.43Å; T120-P123 HydrophobicContact CG2-CB 4.1Å | ||
| 121 | H | 96.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 33% | 0.329 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -66.9 | -18.3 | 170.9 | -61.1 | 146.3 | 0 | 0 | 0 | 112.8 | F117 R150 | F117-H121 AromaticContact CD1-CD2 3.67Å; F117-H121 AromaticContact CE1-CD2 3.24Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.35Å; F117-H121 AromaticContact CE1-NE2 3.49Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.38Å; F117-H121 HydrophobicContact CE2-CB 4.14Å; F117-H121 AromaticContact CE2-CD2 3.61Å; F117-H121 HydrophobicContact CZ-CB 4.38Å; F117-H121 AromaticContact CZ-CD2 3.2Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.37Å; F117-H121 AromaticContact CZ-CG 3.95Å; F117-H121 AromaticContact CZ-NE2 3.8Å; F117-H121 PolarHBondContact O-CD2 3.18Å; H121-R150 HydrophobicContact CB-CG 4.5Å; H121-R150 VanDerWaalsContact O-CD 3.27Å; H121-R150 WeakPolarHBondContact O-CD 3.45Å; H121-R150 PolarHBondContact O-NH1 3.4Å |
| 122 | Y | 97.6 | Very high | 97.5 | Very high | 158 Ų | 158 | 65.7 Ų | 65.7 | 62% | 0.62 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -130.5 | 74.7 | -176.7 | -67.5 | -98.4 | 0 | 0 | 0 | 110.2 | T120 | T120-Y122 PolarHBondContact O-N 2.62Å; T120-Y122 VanDerWaalsContact OG1-C 3.27Å; T120-Y122 PolarHBondContact OG1-N 2.94Å; T120-Y122 PolarHBondContact OG1-O 3.43Å |
| 123 | P | 96.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 70.8 Ų | 70.8 | 5% | 0.045 | 34% | 0.344 | C | S | . | . | trans | -67.1 | 142.8 | 175.7 | 29.2 | -36.8 | 0 | 0 | 0 | 111.2 | V116 T120 T127 R128 F146 | V116-P123 HydrophobicContact CG1-CB 4.33Å; T120-P123 HydrophobicContact CG2-CB 4.1Å; P123-T127 HydrophobicContact CB-CG2 4.06Å; P123-R128 HydrophobicContact CB-CG 4.08Å; P123-R128 HydrophobicContact CG-CG 3.83Å; P123-R128 PolarHBondContact O-NH1 2.83Å; P123-F146 VanDerWaalsContact CD-CD1 3.48Å; P123-F146 HydrophobicContact CG-CD1 3.67Å; P123-F146 HydrophobicContact CG-CD2 4.1Å; P123-F146 HydrophobicContact CG-CE1 3.56Å; P123-F146 HydrophobicContact CG-CE2 4.01Å; P123-F146 HydrophobicContact CG-CG 3.96Å; P123-F146 HydrophobicContact CG-CZ 3.75Å | ||
| 124 | D | 97.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 76.5 Ų | 76.5 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | trans | -73.2 | 168.4 | 178.1 | -170.9 | 30 | 0 | 0 | 0 | 112.4 | Y126 T127 R128 | D124-Y126 PolarHBondContact O-N 2.96Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; D124-T127 PolarHBondContact O-N 3.44Å; D124-R128 VanDerWaalsContact C-NH1 3.27Å; D124-R128 WeakPolarHBondContact O-CG 3.36Å; D124-R128 PolarHBondContact O-N 3.39Å | ||
| 125 | I | 97.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 73.2 Ų | 73.2 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -52.7 | -50 | -179.3 | -175.8 | 62 | 0 | 0 | 0 | 111.9 | T127 R128 E129 E139 | I125-T127 PolarHBondContact O-N 3.22Å; I125-R128 VanDerWaalsContact CD1-NH2 3.31Å; I125-R128 PolarHBondContact O-N 2.94Å; I125-E129 HydrophobicContact CD1-CG 4.35Å; I125-E129 HydrophobicContact CG1-CG 4.49Å; I125-E129 WeakPolarHBondContact O-CG 3.46Å; I125-E129 PolarHBondContact O-N 3.2Å; I125-E139 HydrophobicContact CD1-CG 3.97Å |
| 126 | Y | 97.8 | Very high | 97.3 | Very high | 168 Ų | 168 | 75.1 Ų | 75.1 | 66% | 0.659 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | -179.5 | -57.2 | -66.3 | 0 | 0 | 0 | 112.4 | D124 R128 E129 E130 | D124-Y126 PolarHBondContact O-N 2.96Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 3.39Å; Y126-E129 PolarHBondContact O-N 3.42Å; Y126-E130 PolarHBondContact O-N 2.98Å |
| 127 | T | 97.4 | Very high | 97.3 | Very high | 49 Ų | 49 | 76.5 Ų | 76.5 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.1 | -34.3 | 175.5 | -43.7 | 0 | 0 | 0 | 0 | 112 | V116 P123 D124 I125 L131 | V116-T127 HydrophobicContact CG1-CG2 4.13Å; P123-T127 HydrophobicContact CB-CG2 4.06Å; D124-T127 PolarHBondContact O-N 3.44Å; I125-T127 PolarHBondContact O-N 3.22Å; T127-L131 WeakPolarHBondContact O-CB 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.2Å; T127-L131 PolarHBondContact O-N 3.08Å; T127-L131 VanDerWaalsContact O-N 3.09Å |
| 128 | R | 98.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 80.1 Ų | 80.1 | 17% | 0.17 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.2 | -33.7 | 175.4 | -66.1 | -171 | -47.4 | -88.4 | -1.4 | 112.2 | P123 D124 I125 Y126 A132 E139 V142 | P123-R128 HydrophobicContact CB-CG 4.08Å; P123-R128 HydrophobicContact CG-CG 3.83Å; P123-R128 PolarHBondContact O-NH1 2.83Å; D124-R128 VanDerWaalsContact C-NH1 3.27Å; D124-R128 WeakPolarHBondContact O-CG 3.36Å; D124-R128 PolarHBondContact O-N 3.39Å; I125-R128 VanDerWaalsContact CD1-NH2 3.31Å; I125-R128 PolarHBondContact O-N 2.94Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 3.39Å; R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.47Å; R128-E139 HydrophobicContact CB-CG 4.03Å; R128-E139 IonicContact CZ-OE1 3.28Å; R128-E139 VanDerWaalsContact CZ-OE1 3.28Å; R128-E139 IonicContact NE-OE1 2.75Å; R128-E139 PolarHBondContact NE-OE1 3.03Å; R128-E139 IonicContact NH2-OE1 2.9Å; R128-E139 PolarHBondContact NH2-OE1 3.47Å; R128-V142 HydrophobicContact CB-CG1 4.21Å; R128-V142 HydrophobicContact CG-CG1 4.2Å |
| 129 | E | 98.2 | Very high | 97.3 | Very high | 86 Ų | 86 | 78.1 Ų | 78.1 | 40% | 0.402 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69 | -45.8 | 174.2 | -71.9 | 174.9 | 167.2 | 0 | 0 | 111.7 | I125 Y126 L131 A132 L133 E139 | I125-E129 HydrophobicContact CD1-CG 4.35Å; I125-E129 HydrophobicContact CG1-CG 4.49Å; I125-E129 WeakPolarHBondContact O-CG 3.46Å; I125-E129 PolarHBondContact O-N 3.2Å; Y126-E129 PolarHBondContact O-N 3.42Å; E129-L131 PolarHBondContact O-N 2.77Å; E129-A132 WeakPolarHBondContact O-CB 3.49Å; E129-A132 PolarHBondContact O-N 3.06Å; E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 3.29Å; E129-E139 HydrophobicContact CG-CG 4.13Å |
| 130 | E | 97.5 | Very high | 97.3 | Very high | 131 Ų | 131 | 73.9 Ų | 73.9 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 173.7 | -171.8 | -169.2 | 169.1 | 0 | 0 | 111.3 | Y126 A132 L133 K134 | Y126-E130 PolarHBondContact O-N 2.98Å; E130-A132 PolarHBondContact O-N 2.92Å; E130-L133 PolarHBondContact O-N 3.09Å; E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 3.17Å |
| 131 | L | 97.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 75.8 Ų | 75.8 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 174.2 | -84.9 | 176.4 | 0 | 0 | 0 | 112.6 | E112 V116 T127 E129 L133 K134 I135 V142 F146 | E112-L131 HydrophobicContact CG-CD2 3.8Å; V116-L131 HydrophobicContact CB-CD1 3.95Å; V116-L131 HydrophobicContact CG1-CD1 3.95Å; V116-L131 HydrophobicContact CG2-CD1 3.99Å; V116-L131 HydrophobicContact CG2-CD2 3.83Å; V116-L131 HydrophobicContact CG2-CG 4.21Å; T127-L131 WeakPolarHBondContact O-CB 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.2Å; T127-L131 PolarHBondContact O-N 3.08Å; T127-L131 VanDerWaalsContact O-N 3.09Å; E129-L131 PolarHBondContact O-N 2.77Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 3.36Å; L131-K134 PolarHBondContact O-N 3.14Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.37Å; L131-I135 PolarHBondContact O-N 2.96Å; L131-V142 HydrophobicContact CB-CG1 4.42Å; L131-V142 HydrophobicContact CD1-CG1 4.33Å; L131-F146 HydrophobicContact CD1-CE2 4.02Å; L131-F146 HydrophobicContact CD1-CZ 4.25Å |
| 132 | A | 97.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R128 E129 E130 D136 L137 E139 V142 | R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.47Å; E129-A132 WeakPolarHBondContact O-CB 3.49Å; E129-A132 PolarHBondContact O-N 3.06Å; E130-A132 PolarHBondContact O-N 2.92Å; A132-D136 PolarHBondContact O-N 3.32Å; A132-L137 CarbonylContact C-O 3.49Å; A132-L137 VanDerWaalsContact CB-O 3.3Å; A132-L137 WeakPolarHBondContact CB-O 3.36Å; A132-L137 PolarHBondContact O-N 3.21Å; A132-E139 HydrophobicContact CB-CB 4.49Å; A132-V142 HydrophobicContact CB-CG2 4.08Å |
| 133 | L | 97.6 | Very high | 97.4 | Very high | 142 Ų | 142 | 68.5 Ų | 68.5 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | 173.1 | -65.4 | 171.6 | 0 | 0 | 0 | 112.1 | E129 E130 L131 I135 | E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 3.29Å; E130-L133 PolarHBondContact O-N 3.09Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 3.36Å; L133-I135 VanDerWaalsContact C-N 3.26Å; L133-I135 PolarHBondContact O-N 3.16Å |
| 134 | K | 96.5 | Very high | 97.4 | Very high | 120 Ų | 120 | 71 Ų | 71 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -24.3 | -176.8 | -172.4 | 173.7 | -177.8 | -176.8 | 0 | 114.2 | E112 E130 L131 | E112-K134 VanDerWaalsContact CD-NZ 3.32Å; E112-K134 HydrophobicContact CG-CD 4.14Å; E112-K134 WeakPolarHBondContact OE1-CE 3.43Å; E112-K134 IonicContact OE1-NZ 3.59Å; E112-K134 PolarHBondContact OE1-NZ 3.14Å; E112-K134 IonicContact OE2-NZ 2.63Å; E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 3.17Å; L131-K134 PolarHBondContact O-N 3.14Å |
| 135 | I | 96.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 10 | -174.6 | 79.7 | -170.1 | 0 | 0 | 0 | 113.8 | Q109 E112 L113 L131 L133 L137 V142 | Q109-I135 HydrophobicContact CB-CB 4.38Å; Q109-I135 HydrophobicContact CG-CB 4.08Å; Q109-I135 PolarHBondContact NE2-O 2.97Å; E112-I135 HydrophobicContact CB-CG2 3.98Å; E112-I135 HydrophobicContact CG-CG2 3.93Å; L113-I135 HydrophobicContact CD1-CD1 3.93Å; L113-I135 HydrophobicContact CD2-CD1 3.69Å; L113-I135 HydrophobicContact CG-CD1 3.73Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.37Å; L131-I135 PolarHBondContact O-N 2.96Å; L133-I135 VanDerWaalsContact C-N 3.26Å; L133-I135 PolarHBondContact O-N 3.16Å; I135-L137 HydrophobicContact CD1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CB 4.03Å; I135-L137 HydrophobicContact CG1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CG 4.01Å; I135-V142 HydrophobicContact CD1-CG2 4.13Å |
| 136 | D | 97.2 | Very high | 97.4 | Very high | 147 Ų | 147 | 65.2 Ų | 65.2 | 79% | 0.786 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 48.1 | -178.7 | -61.2 | -58.6 | 0 | 0 | 0 | 114.2 | A132 | A132-D136 PolarHBondContact O-N 3.32Š|
| 137 | L | 95.9 | Very high | 97.4 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -131.5 | 166.9 | 176.8 | -67.7 | 179.4 | 0 | 0 | 0 | 111.1 | T103 F105 A132 I135 R141 | T103-L137 HydrophobicContact CG2-CD2 3.89Å; F105-L137 HydrophobicContact CD1-CD1 3.53Å; F105-L137 HydrophobicContact CE1-CD1 3.42Å; F105-L137 VanDerWaalsContact CE1-CD1 3.42Å; A132-L137 CarbonylContact C-O 3.49Å; A132-L137 VanDerWaalsContact CB-O 3.3Å; A132-L137 WeakPolarHBondContact CB-O 3.36Å; A132-L137 PolarHBondContact O-N 3.21Å; I135-L137 HydrophobicContact CD1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CB 4.03Å; I135-L137 HydrophobicContact CG1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CG 4.01Å; L137-R141 HydrophobicContact CB-CB 4.33Å | ||
| 138 | T | 97.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 64.1 Ų | 64.1 | 54% | 0.54 | 32% | 0.322 | S | S | . | . | trans | -84.6 | 149.7 | 172 | 73 | 0 | 0 | 0 | 0 | 111.1 | A140 R141 V142 | T138-A140 PolarHBondContact O-N 2.99Å; T138-A140 VanDerWaalsContact O-N 3.15Å; T138-R141 WeakPolarHBondContact O-CA 3.43Å; T138-R141 WeakPolarHBondContact O-CB 3.44Å; T138-R141 PolarHBondContact O-N 3.31Å; T138-V142 PolarHBondContact O-N 3.41Å | ||
| 139 | E | 97.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -48.3 | -44.1 | 176.4 | -173.9 | -78 | 162 | 0 | 0 | 111.2 | I125 R128 E129 A132 R141 V142 Q143 | I125-E139 HydrophobicContact CD1-CG 3.97Å; R128-E139 HydrophobicContact CB-CG 4.03Å; R128-E139 IonicContact CZ-OE1 3.28Å; R128-E139 VanDerWaalsContact CZ-OE1 3.28Å; R128-E139 IonicContact NE-OE1 2.75Å; R128-E139 PolarHBondContact NE-OE1 3.03Å; R128-E139 IonicContact NH2-OE1 2.9Å; R128-E139 PolarHBondContact NH2-OE1 3.47Å; E129-E139 HydrophobicContact CG-CG 4.13Å; A132-E139 HydrophobicContact CB-CB 4.49Å; E139-R141 PolarHBondContact O-N 3.19Å; E139-V142 CarbonylContact O-C 3.56Å; E139-V142 WeakPolarHBondContact O-CA 3.41Å; E139-V142 WeakPolarHBondContact O-CB 3.48Å; E139-V142 PolarHBondContact O-N 3.32Å; E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.42Å |
| 140 | A | 97 | Very high | 97.4 | Very high | 38 Ų | 38 | 63.6 Ų | 63.6 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -25.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | T138 V144 | T138-A140 PolarHBondContact O-N 2.99Å; T138-A140 VanDerWaalsContact O-N 3.15Å; A140-V144 WeakPolarHBondContact O-CB 3.34Å; A140-V144 VanDerWaalsContact O-CG2 3.24Å; A140-V144 WeakPolarHBondContact O-CG2 3.24Å; A140-V144 PolarHBondContact O-N 3.46Å |
| 141 | R | 97.3 | Very high | 97.4 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.8 | -43.3 | 170.2 | -60.7 | -59.9 | 83.5 | 160.5 | 4.6 | 110.9 | T103 L137 T138 E139 V144 W145 | T103-R141 WeakPolarHBondContact OG1-CD 3.19Å; L137-R141 HydrophobicContact CB-CB 4.33Å; T138-R141 WeakPolarHBondContact O-CA 3.43Å; T138-R141 WeakPolarHBondContact O-CB 3.44Å; T138-R141 PolarHBondContact O-N 3.31Å; E139-R141 PolarHBondContact O-N 3.19Å; R141-V144 PolarHBondContact O-N 3.01Å; R141-W145 WeakPolarHBondContact O-CB 3.49Å; R141-W145 PolarHBondContact O-N 2.94Å |
| 142 | V | 97.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 176 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | L113 R128 L131 A132 I135 T138 E139 V144 W145 F146 | L113-V142 HydrophobicContact CD2-CG1 3.96Å; L113-V142 HydrophobicContact CD2-CG2 4.48Å; R128-V142 HydrophobicContact CB-CG1 4.21Å; R128-V142 HydrophobicContact CG-CG1 4.2Å; L131-V142 HydrophobicContact CB-CG1 4.42Å; L131-V142 HydrophobicContact CD1-CG1 4.33Å; A132-V142 HydrophobicContact CB-CG2 4.08Å; I135-V142 HydrophobicContact CD1-CG2 4.13Å; T138-V142 PolarHBondContact O-N 3.41Å; E139-V142 CarbonylContact O-C 3.56Å; E139-V142 WeakPolarHBondContact O-CA 3.41Å; E139-V142 WeakPolarHBondContact O-CB 3.48Å; E139-V142 PolarHBondContact O-N 3.32Å; V142-V144 PolarHBondContact O-N 3.49Å; V142-W145 WeakPolarHBondContact O-CB 3.15Å; V142-W145 PolarHBondContact O-N 2.95Å; V142-W145 VanDerWaalsContact O-N 3.1Å; V142-F146 HydrophobicContact CG1-CD2 3.75Å; V142-F146 HydrophobicContact CG1-CE2 3.8Å; V142-F146 WeakPolarHBondContact O-CD2 3.43Å; V142-F146 PolarHBondContact O-N 3.02Å |
| 143 | Q | 97.8 | Very high | 97.3 | Very high | 76 Ų | 76 | 67.9 Ų | 67.9 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -53.6 | -50.2 | 176.4 | -165.9 | -156.7 | 22.7 | 0 | 0 | 112 | E139 F146 Q147 | E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.42Å; Q143-F146 PolarHBondContact O-N 2.95Å; Q143-Q147 WeakPolarHBondContact O-CG 3.43Å; Q143-Q147 PolarHBondContact O-N 3.31Å |
| 144 | V | 97.8 | Very high | 97.2 | Very high | 59 Ų | 59 | 67.5 Ų | 67.5 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | A140 R141 V142 N148 | A140-V144 WeakPolarHBondContact O-CB 3.34Å; A140-V144 VanDerWaalsContact O-CG2 3.24Å; A140-V144 WeakPolarHBondContact O-CG2 3.24Å; A140-V144 PolarHBondContact O-N 3.46Å; R141-V144 PolarHBondContact O-N 3.01Å; V142-V144 PolarHBondContact O-N 3.49Å; V144-N148 WeakPolarHBondContact CG1-ND2 3.21Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 PolarHBondContact O-N 3.25Å; V144-N148 PolarHBondContact O-ND2 3.03Å |
| 145 | W | 97.6 | Very high | 97.1 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 10% | 0.095 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 174.2 | -173 | 101.1 | 0 | 0 | 0 | 111.3 | F105 L110 L113 E114 F117 R141 V142 Q147 N148 R149 | F105-W145 HydrophobicContact CE1-CB 4.29Å; F105-W145 AromaticContact CE1-CD1 3.79Å; F105-W145 HydrophobicContact CE1-CG 4.31Å; F105-W145 AromaticContact CE2-CD1 3.8Å; F105-W145 HydrophobicContact CZ-CB 4.01Å; F105-W145 AromaticContact CZ-CD1 3.63Å; F105-W145 HydrophobicContact CZ-CG 4.19Å; L110-W145 HydrophobicContact CD2-CZ2 4.27Å; L110-W145 VanDerWaalsContact CD2-NE1 3.28Å; L113-W145 HydrophobicContact CB-CD2 4.14Å; L113-W145 HydrophobicContact CB-CE3 4.02Å; L113-W145 HydrophobicContact CB-CH2 3.7Å; L113-W145 HydrophobicContact CB-CZ2 3.79Å; L113-W145 HydrophobicContact CB-CZ3 3.82Å; L113-W145 HydrophobicContact CD1-CD2 3.93Å; L113-W145 HydrophobicContact CD1-CE3 4.49Å; L113-W145 HydrophobicContact CD1-CG 3.97Å; L113-W145 HydrophobicContact CD2-CD2 4.46Å; L113-W145 HydrophobicContact CD2-CE3 4.26Å; L113-W145 HydrophobicContact CG-CD2 4.42Å; E114-W145 HydrophobicContact CG-CH2 3.81Å; E114-W145 HydrophobicContact CG-CZ2 3.95Å; F117-W145 HydrophobicContact CB-CH2 4.49Å; F117-W145 HydrophobicContact CB-CZ3 4.32Å; F117-W145 HydrophobicContact CD2-CZ3 4.45Å; R141-W145 WeakPolarHBondContact O-CB 3.49Å; R141-W145 PolarHBondContact O-N 2.94Å; V142-W145 WeakPolarHBondContact O-CB 3.15Å; V142-W145 PolarHBondContact O-N 2.95Å; V142-W145 VanDerWaalsContact O-N 3.1Å; W145-Q147 PolarHBondContact O-N 2.93Å; W145-N148 PolarHBondContact O-N 3.24Å; W145-R149 HydrophobicContact CE3-CB 4.09Å; W145-R149 HydrophobicContact CH2-CB 4.17Å; W145-R149 HydrophobicContact CH2-CG 3.88Å; W145-R149 HydrophobicContact CZ3-CB 3.86Å; W145-R149 HydrophobicContact CZ3-CG 3.9Å; W145-R149 WeakPolarHBondContact O-CB 3.3Å; W145-R149 PolarHBondContact O-N 2.94Å |
| 146 | F | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 178.5 | -89.5 | -90.4 | 0 | 0 | 0 | 112.5 | L113 V116 F117 P123 L131 V142 Q143 R149 R150 | L113-F146 HydrophobicContact CD2-CD2 4.47Å; L113-F146 HydrophobicContact CD2-CE2 3.83Å; V116-F146 HydrophobicContact CB-CZ 4.34Å; V116-F146 HydrophobicContact CG1-CZ 4.21Å; F117-F146 HydrophobicContact CB-CE1 3.97Å; F117-F146 HydrophobicContact CB-CZ 4.46Å; F117-F146 AromaticContact CD2-CD1 3.81Å; F117-F146 HydrophobicContact CD2-CD1 3.81Å; F117-F146 AromaticContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CG-CE1 4.39Å; P123-F146 VanDerWaalsContact CD-CD1 3.48Å; P123-F146 HydrophobicContact CG-CD1 3.67Å; P123-F146 HydrophobicContact CG-CD2 4.1Å; P123-F146 HydrophobicContact CG-CE1 3.56Å; P123-F146 HydrophobicContact CG-CE2 4.01Å; P123-F146 HydrophobicContact CG-CG 3.96Å; P123-F146 HydrophobicContact CG-CZ 3.75Å; L131-F146 HydrophobicContact CD1-CE2 4.02Å; L131-F146 HydrophobicContact CD1-CZ 4.25Å; V142-F146 HydrophobicContact CG1-CD2 3.75Å; V142-F146 HydrophobicContact CG1-CE2 3.8Å; V142-F146 WeakPolarHBondContact O-CD2 3.43Å; V142-F146 PolarHBondContact O-N 3.02Å; Q143-F146 PolarHBondContact O-N 2.95Å; F146-R149 PolarHBondContact O-N 3.08Å; F146-R150 WeakPolarHBondContact O-CG 3.47Å; F146-R150 PolarHBondContact O-N 2.97Å |
| 147 | Q | 98.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 172.3 | -72.1 | 176 | 29.8 | 0 | 0 | 111.8 | Q143 W145 R149 R150 A151 | Q143-Q147 WeakPolarHBondContact O-CG 3.43Å; Q143-Q147 PolarHBondContact O-N 3.31Å; W145-Q147 PolarHBondContact O-N 2.93Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.28Å; Q147-R150 PolarHBondContact O-N 3.38Å; Q147-A151 WeakPolarHBondContact O-CB 3.48Å; Q147-A151 PolarHBondContact O-N 3.46Å |
| 148 | N | 97.7 | Very high | 95.9 | Very high | 103 Ų | 103 | 79.4 Ų | 79.4 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.6 | -39 | 177.8 | -74.3 | -46.2 | 0 | 0 | 0 | 112.1 | V144 W145 A151 K152 | V144-N148 WeakPolarHBondContact CG1-ND2 3.21Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 PolarHBondContact O-N 3.25Å; V144-N148 PolarHBondContact O-ND2 3.03Å; W145-N148 PolarHBondContact O-N 3.24Å; N148-A151 PolarHBondContact O-N 2.83Å; N148-K152 PolarHBondContact O-N 3.01Å |
| 149 | R | 97.8 | Very high | 95.3 | Very high | 71 Ų | 71 | 78 Ų | 78 | 27% | 0.268 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.4 | -173.6 | 66.3 | -174.4 | -158.6 | -5.2 | 111.5 | E114 F117 W145 F146 Q147 A151 K152 F153 | E114-R149 IonicContact OE1-CZ 3.17Å; E114-R149 IonicContact OE1-NH1 2.62Å; E114-R149 PolarHBondContact OE1-NH1 3.05Å; E114-R149 IonicContact OE1-NH2 3.18Å; E114-R149 PolarHBondContact OE1-NH2 3.27Å; F117-R149 HydrophobicContact CD1-CG 4Å; F117-R149 HydrophobicContact CD2-CB 4.21Å; F117-R149 HydrophobicContact CD2-CG 3.53Å; F117-R149 HydrophobicContact CE1-CG 3.85Å; F117-R149 HydrophobicContact CE2-CB 3.97Å; F117-R149 HydrophobicContact CE2-CG 3.37Å; F117-R149 HydrophobicContact CG-CG 3.85Å; F117-R149 HydrophobicContact CZ-CB 4.47Å; F117-R149 HydrophobicContact CZ-CG 3.55Å; W145-R149 HydrophobicContact CE3-CB 4.09Å; W145-R149 HydrophobicContact CH2-CB 4.17Å; W145-R149 HydrophobicContact CH2-CG 3.88Å; W145-R149 HydrophobicContact CZ3-CB 3.86Å; W145-R149 HydrophobicContact CZ3-CG 3.9Å; W145-R149 WeakPolarHBondContact O-CB 3.3Å; W145-R149 PolarHBondContact O-N 2.94Å; F146-R149 PolarHBondContact O-N 3.08Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.28Å; R149-A151 VanDerWaalsContact C-N 3.3Å; R149-A151 PolarHBondContact O-N 3.29Å; R149-K152 PolarHBondContact O-N 3.22Å; R149-F153 PolarHBondContact O-N 3.47Å |
| 150 | R | 97.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 18% | 0.181 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 173.9 | -72.1 | -167.3 | -65.1 | -95.8 | 5.3 | 113.2 | F117 H121 F146 Q147 R154 | F117-R150 HydrophobicContact CE2-CG 3.91Å; F117-R150 HydrophobicContact CZ-CG 4.48Å; H121-R150 HydrophobicContact CB-CG 4.5Å; H121-R150 VanDerWaalsContact O-CD 3.27Å; H121-R150 WeakPolarHBondContact O-CD 3.45Å; H121-R150 PolarHBondContact O-NH1 3.4Å; F146-R150 WeakPolarHBondContact O-CG 3.47Å; F146-R150 PolarHBondContact O-N 2.97Å; Q147-R150 PolarHBondContact O-N 3.38Å; R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 3.38Å; R150-R154 VanDerWaalsContact O-N 3.14Å |
| 151 | A | 97.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 80.1 Ų | 80.1 | 37% | 0.372 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q147 N148 R149 K155 | Q147-A151 WeakPolarHBondContact O-CB 3.48Å; Q147-A151 PolarHBondContact O-N 3.46Å; N148-A151 PolarHBondContact O-N 2.83Å; R149-A151 VanDerWaalsContact C-N 3.3Å; R149-A151 PolarHBondContact O-N 3.29Å; A151-K155 PolarHBondContact O-N 2.95Å; A151-K155 VanDerWaalsContact O-N 3.14Å |
| 152 | K | 96.4 | Very high | 92.9 | Very high | 121 Ų | 121 | 78.7 Ų | 78.7 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 174.9 | -171.8 | -179.8 | 177.3 | -174.5 | 0 | 111.8 | N148 R149 K155 Q156 | N148-K152 PolarHBondContact O-N 3.01Å; R149-K152 PolarHBondContact O-N 3.22Å; K152-K155 WeakPolarHBondContact O-CB 3.49Å; K152-K155 PolarHBondContact O-N 2.98Å; K152-Q156 WeakPolarHBondContact O-CG 3.46Å; K152-Q156 PolarHBondContact O-N 3.37Å |
| 153 | F | 95.7 | Very high | 92 | Very high | 69 Ų | 69 | 81.7 Ų | 81.7 | 30% | 0.303 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56 | -56.1 | 177.5 | -175.7 | -94.4 | 0 | 0 | 0 | 111.8 | F117 R149 K155 Q156 E157 | F117-F153 HydrophobicContact CE1-CD2 4.42Å; F117-F153 HydrophobicContact CZ-CB 4.38Å; R149-F153 PolarHBondContact O-N 3.47Å; F153-K155 PolarHBondContact O-N 3.44Å; F153-K155 VanDerWaalsContact O-N 3.16Å; F153-Q156 WeakPolarHBondContact O-CB 3.38Å; F153-Q156 PolarHBondContact O-N 3.38Å; F153-E157 HydrophobicContact CD1-CG 4.44Å; F153-E157 HydrophobicContact CE1-CG 4.13Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.45Å; F153-E157 WeakPolarHBondContact CE1-OE2 3.46Å; F153-E157 HydrophobicContact CZ-CG 4.43Å; F153-E157 PolarHBondContact O-N 3.4Å; F153-E157 VanDerWaalsContact O-N 3.09Å |
| 154 | R | 95.7 | Very high | 90.8 | Very high | 134 Ų | 134 | 80.9 Ų | 80.9 | 51% | 0.506 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.9 | -28.6 | 176.8 | -69.4 | -175.2 | -64.3 | 158.2 | -0.6 | 113.6 | R150 R158 | R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 3.38Å; R150-R154 VanDerWaalsContact O-N 3.14Å; R154-R158 VanDerWaalsContact O-CG 3.3Å; R154-R158 WeakPolarHBondContact O-CG 3.49Å; R154-R158 PolarHBondContact O-N 2.97Å |
| 155 | K | 94.5 | Very high | 89.5 | Confident | 162 Ų | 162 | 81.1 Ų | 81.1 | 70% | 0.704 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72 | -38.4 | 173.7 | -173.6 | 175.9 | 179.9 | 178.6 | 0 | 111.8 | A151 K152 F153 A159 | A151-K155 PolarHBondContact O-N 2.95Å; A151-K155 VanDerWaalsContact O-N 3.14Å; K152-K155 WeakPolarHBondContact O-CB 3.49Å; K152-K155 PolarHBondContact O-N 2.98Å; F153-K155 PolarHBondContact O-N 3.44Å; F153-K155 VanDerWaalsContact O-N 3.16Å; K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 3.5Å |
| 156 | Q | 91.9 | Very high | 87.9 | Confident | 107 Ų | 107 | 83.2 Ų | 83.2 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67 | -44 | 178.2 | -73.6 | 174.5 | -45.8 | 0 | 0 | 111.7 | K152 F153 R158 A159 A160 | K152-Q156 WeakPolarHBondContact O-CG 3.46Å; K152-Q156 PolarHBondContact O-N 3.37Å; F153-Q156 WeakPolarHBondContact O-CB 3.38Å; F153-Q156 PolarHBondContact O-N 3.38Å; Q156-R158 PolarHBondContact O-N 3.29Å; Q156-A159 PolarHBondContact O-N 3.33Å; Q156-A160 PolarHBondContact O-N 3.29Å |
| 157 | E | 88.1 | Confident | 86.2 | Confident | 105 Ų | 105 | 86.9 Ų | 86.9 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -46.3 | 175.4 | -65.4 | 176.8 | 128.4 | 0 | 0 | 112.1 | F153 A159 A160 A161 | F153-E157 HydrophobicContact CD1-CG 4.44Å; F153-E157 HydrophobicContact CE1-CG 4.13Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.45Å; F153-E157 WeakPolarHBondContact CE1-OE2 3.46Å; F153-E157 HydrophobicContact CZ-CG 4.43Å; F153-E157 PolarHBondContact O-N 3.4Å; F153-E157 VanDerWaalsContact O-N 3.09Å; E157-A159 PolarHBondContact O-N 3.22Å; E157-A160 PolarHBondContact O-N 2.98Å; E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.27Å |
| 158 | R | 86 | Confident | 84.3 | Confident | 186 Ų | 186 | 91.4 Ų | 91.4 | 70% | 0.702 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 177.1 | -70.2 | 175.9 | -172.6 | -150.7 | -1.9 | 112.7 | R154 Q156 A162 | R154-R158 VanDerWaalsContact O-CG 3.3Å; R154-R158 WeakPolarHBondContact O-CG 3.49Å; R154-R158 PolarHBondContact O-N 2.97Å; Q156-R158 PolarHBondContact O-N 3.29Å; R158-A162 WeakPolarHBondContact O-CB 3.42Å; R158-A162 PolarHBondContact O-N 3.11Å |
| 159 | A | 84.6 | Confident | 82 | Confident | 59 Ų | 59 | 93.5 Ų | 93.5 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K155 Q156 E157 A162 A163 | K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 3.5Å; Q156-A159 PolarHBondContact O-N 3.33Å; E157-A159 PolarHBondContact O-N 3.22Å; A159-A162 PolarHBondContact O-N 3.39Å; A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.48Å |
| 160 | A | 81.6 | Confident | 79.7 | Confident | 63 Ų | 63 | 93.1 Ų | 93.1 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q156 E157 A163 A164 | Q156-A160 PolarHBondContact O-N 3.29Å; E157-A160 PolarHBondContact O-N 2.98Å; A160-A163 PolarHBondContact O-N 3.07Å; A160-A164 WeakPolarHBondContact O-CB 3.39Å; A160-A164 PolarHBondContact O-N 3.32Å |
| 161 | A | 79.9 | Confident | 77.3 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E157 A164 A165 | E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.27Å; A161-A164 PolarHBondContact O-N 3.06Å; A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 3.06Å |
| 162 | A | 80.3 | Confident | 74.9 | Confident | 63 Ų | 63 | 99.3 Ų | 99.3 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R158 A159 A165 A166 | R158-A162 WeakPolarHBondContact O-CB 3.42Å; R158-A162 PolarHBondContact O-N 3.11Å; A159-A162 PolarHBondContact O-N 3.39Å; A162-A165 PolarHBondContact O-N 3.21Å; A162-A166 PolarHBondContact O-N 3.28Å |
| 163 | A | 76.9 | Confident | 72.7 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A159 A160 A166 A167 | A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.48Å; A160-A163 PolarHBondContact O-N 3.07Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-A167 PolarHBondContact O-N 3.28Å |
| 164 | A | 72.5 | Confident | 70.1 | Confident | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A160 A161 A167 K168 | A160-A164 WeakPolarHBondContact O-CB 3.39Å; A160-A164 PolarHBondContact O-N 3.32Å; A161-A164 PolarHBondContact O-N 3.06Å; A164-A167 PolarHBondContact O-N 3.13Å; A164-K168 WeakPolarHBondContact O-CG 3.24Å; A164-K168 PolarHBondContact O-N 2.82Å |
| 165 | A | 70.6 | Confident | 67.7 | Low | 63 Ų | 63 | 106.3 Ų | 106.3 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A161 A162 A167 K168 N169 | A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 3.06Å; A162-A165 PolarHBondContact O-N 3.21Å; A165-A167 PolarHBondContact O-N 3.48Å; A165-K168 PolarHBondContact O-N 3Å; A165-N169 PolarHBondContact O-N 3.46Å |
| 166 | A | 64.4 | Low | 65.1 | Low | 70 Ų | 70 | 103.5 Ų | 103.5 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A162 A163 K168 N169 G170 | A162-A166 PolarHBondContact O-N 3.28Å; A163-A166 PolarHBondContact O-N 3.48Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 3.45Å; A166-N169 PolarHBondContact O-N 3.15Å; A166-G170 PolarHBondContact O-N 2.95Å |
| 167 | A | 62.7 | Low | 62.7 | Low | 78 Ų | 78 | 105.2 Ų | 105.2 | 65% | 0.645 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.6 | -33.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A163 A164 A165 | A163-A167 PolarHBondContact O-N 3.28Å; A164-A167 PolarHBondContact O-N 3.13Å; A165-A167 PolarHBondContact O-N 3.48Å |
| 168 | K | 57.7 | Low | 60.6 | Low | 186 Ų | 186 | 105.3 Ų | 105.3 | 81% | 0.809 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.5 | -24.7 | 177.7 | -71.8 | -116.8 | 178.2 | 177.9 | 0 | 113.8 | A164 A165 A166 | A164-K168 WeakPolarHBondContact O-CG 3.24Å; A164-K168 PolarHBondContact O-N 2.82Å; A165-K168 PolarHBondContact O-N 3Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 3.45Å |
| 169 | N | 51 | Low | 58.6 | Low | 148 Ų | 148 | 101.6 Ų | 101.6 | 79% | 0.791 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.5 | -178.5 | -141.8 | 13.9 | 0 | 0 | 0 | 113.7 | A165 A166 | A165-N169 PolarHBondContact O-N 3.46Å; A166-N169 PolarHBondContact O-N 3.15Å |
| 170 | G | 47.8 | Very low | 56.9 | Low | 63 Ų | 63 | 109.4 Ų | 109.4 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | trans | -93.5 | 0.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A166 S172 | A166-G170 PolarHBondContact O-N 2.95Å; G170-S172 VanDerWaalsContact C-N 3.26Å; G170-S172 PolarHBondContact O-N 3.13Å; G170-S172 VanDerWaalsContact O-N 3.13Å | ||
| 171 | S | 47.6 | Very low | 55.1 | Low | 114 Ų | 114 | 114.6 Ų | 114.6 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | -86 | 30.6 | -169.2 | -168.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 172 | S | 48.1 | Very low | 53.4 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -144.1 | 88.4 | 174.5 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | G170 | G170-S172 VanDerWaalsContact C-N 3.26Å; G170-S172 PolarHBondContact O-N 3.13Å; G170-S172 VanDerWaalsContact O-N 3.13Å |
| 173 | G | 49 | Very low | 51.6 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 100 | 83.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 174 | K | 40.2 | Very low | 50.1 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | -150.1 | 102 | 136 | -154.8 | 90.8 | 177.4 | -166.5 | 0 | 110.8 | ||||
| 175 | K | 46.8 | Very low | 48.8 | Very low | 211 Ų | 211 | 133 Ų | 133 | 92% | 0.917 | 76% | 0.758 | S | S | * | * | trans | -98.3 | 116.9 | 159.3 | -68.7 | -174.1 | -179.3 | -175.5 | 0 | 107.6 | ||||
| 176 | T | 40.1 | Very low | 47.2 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 63% | 0.632 | 77% | 0.772 | S | S | * | * | trans | -160.1 | 88.7 | 165.9 | 44.7 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 177 | D | 39.7 | Very low | 46.2 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | 60.1 | 123.8 | 72.3 | -163.9 | -96 | 0 | 0 | 0 | 113.8 | |||||
| 178 | S | 45.4 | Very low | 45.1 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 47 | 151.1 | 168.5 | 58.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 179 | S | 44.5 | Very low | 44 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | cis | -135 | 163.9 | 4.2 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 180 | R | 47.9 | Very low | 43.6 | Very low | 223 Ų | 223 | 139.7 Ų | 139.7 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 153.4 | 159.8 | -63.7 | 161.6 | 172.9 | 164.4 | -5.2 | 109.5 | ||||
| 181 | D | 43 | Very low | 43.4 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | -154.2 | 146.1 | 125.2 | -87.5 | -41.7 | 0 | 0 | 0 | 109.6 | |||||
| 182 | D | 44 | Very low | 44 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -135.2 | 124.6 | -173.6 | 176.9 | -69.8 | 0 | 0 | 0 | 106.4 | ||||
| 183 | E | 44 | Very low | 43.3 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -163 | 108 | 146.4 | -160.9 | 135.1 | 73.8 | 0 | 0 | 113 | ||||
| 184 | S | 44.3 | Very low | 43 | Very low | 94 Ų | 94 | 145.9 Ų | 145.9 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | 22.9 | 127.1 | 135.8 | -51.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 185 | K | 46.3 | Very low | 43.1 | Very low | 217 Ų | 217 | 143.9 Ų | 143.9 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | -143.4 | 132.7 | 117.6 | -127.7 | -178.1 | -172.7 | -178.1 | 0 | 114.3 | |||||
| 186 | E | 36.6 | Very low | 42.6 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -92.6 | 141.4 | -172.6 | -179.4 | -176.3 | 108.5 | 0 | 0 | 111.8 | ||||
| 187 | A | 42.3 | Very low | 42.4 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -149.9 | 107.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 188 | K | 40.8 | Very low | 43 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -103.5 | 134.6 | -174.3 | 165.5 | -174.9 | 175.5 | -178.3 | 0 | 110.5 | ||||
| 189 | S | 34.7 | Very low | 42.6 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -167.2 | 140.5 | 147.3 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 190 | T | 42.7 | Very low | 43 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | trans | -151.5 | 166.6 | 176 | 66.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 191 | D | 43.8 | Very low | 43.2 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | cis | -117.1 | -81.9 | 4.9 | -72.8 | -97.8 | 0 | 0 | 0 | 113.7 | ||||
| 192 | P | 59.5 | Low | 43.7 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -143.1 | 172.5 | -132 | 42.5 | -22.3 | 0 | 0 | 0 | 119.6 | ||||
| 193 | D | 34.8 | Very low | 43.9 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | 83.8 | 143.6 | 141.3 | -150.3 | 54.3 | 0 | 0 | 0 | 123.6 | ||||
| 194 | S | 41.8 | Very low | 44 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | 82.3 | 111 | 149.6 | -93.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 195 | T | 42.4 | Very low | 43.9 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | 87.4 | 112.7 | 125.9 | -58.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 196 | G | 35.5 | Very low | 44.4 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 151.2 | 96.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 197 | G | 37.2 | Very low | 44.4 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -111.8 | -165.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 198 | P | 52.2 | Low | 43.8 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | cis | -137.4 | 142 | -17.1 | 37.4 | -19.9 | 0 | 0 | 0 | 115.2 | ||||
| 199 | G | 36.4 | Very low | 43.4 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 62.8 | -171.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 200 | P | 53.1 | Low | 43.5 | Very low | 130 Ų | 130 | 113.6 Ų | 113.6 | 84% | 0.844 | 77% | 0.772 | S | S | * | * | cis | -121.5 | 178.4 | -5 | 41.2 | -27.4 | 0 | 0 | 0 | 114.9 | ||||
| 201 | N | 51.5 | Low | 43.4 | Very low | 147 Ų | 147 | 116.6 Ų | 116.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | -78.7 | 146.4 | 177 | -179 | 26.7 | 0 | 0 | 0 | 113 | ||||
| 202 | P | 53.8 | Low | 42.8 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -128.3 | 121.6 | 150.1 | 34.6 | -21.1 | 0 | 0 | 0 | 113.5 | ||||
| 203 | N | 48.2 | Very low | 41.6 | Very low | 127 Ų | 127 | 111.6 Ų | 111.6 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 140.7 | 159.4 | 176.2 | 33.5 | 0 | 0 | 0 | 109.7 | ||||
| 204 | P | 46.9 | Very low | 41.5 | Very low | 112 Ų | 112 | 108.8 Ų | 108.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -140.3 | 145.1 | 134.5 | 36 | -22.4 | 0 | 0 | 0 | 115.2 | ||||
| 205 | T | 41.7 | Very low | 41 | Very low | 118 Ų | 118 | 108.6 Ų | 108.6 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -127.4 | 167.8 | 153.4 | 57.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 206 | P | 55.8 | Low | 40.5 | Very low | 120 Ų | 120 | 105.7 Ų | 105.7 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -133.3 | -154 | 5.3 | 41 | -21.4 | 0 | 0 | 0 | 113.5 | ||||
| 207 | S | 37.7 | Very low | 40.4 | Very low | 120 Ų | 120 | 105.5 Ų | 105.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 85.5 | 142.8 | 173.6 | -132.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 208 | C | 29.5 | Very low | 40.9 | Very low | 124 Ų | 124 | 108 Ų | 108 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | cis | -155.6 | 168.1 | 0.7 | 51.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 209 | G | 31.6 | Very low | 40.4 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | 112.2 | 135.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 210 | A | 36.8 | Very low | 41 | Very low | 93 Ų | 93 | 109.8 Ų | 109.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | cis | 167.6 | 107.5 | -29.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 211 | N | 41.3 | Very low | 40.1 | Very low | 173 Ų | 173 | 108.7 Ų | 108.7 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | 169.7 | 129.4 | 153.8 | -97.3 | -45 | 0 | 0 | 0 | 105.6 | ||||
| 212 | G | 32.2 | Very low | 39 | Very low | 76 Ų | 76 | 105.5 Ų | 105.5 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | cis | 114.3 | 122 | 26.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 213 | G | 32.6 | Very low | 38 | Very low | 77 Ų | 77 | 104.9 Ų | 104.9 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | cis | 179.7 | 171 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 214 | G | 32.8 | Very low | 38.3 | Very low | 88 Ų | 88 | 105 Ų | 105 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | 72.9 | 143 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 215 | G | 31.9 | Very low | 37.5 | Very low | 83 Ų | 83 | 103.4 Ų | 103.4 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | cis | 150.7 | 140 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 216 | G | 31.6 | Very low | 37.2 | Very low | 81 Ų | 81 | 103 Ų | 103 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 110.8 | 111.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 217 | G | 34.1 | Very low | 36.1 | Very low | 76 Ų | 76 | 102.1 Ų | 102.1 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | trans | -78.5 | -163.9 | 147 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 218 | P | 47.6 | Very low | 35.7 | Very low | 129 Ų | 129 | 99.9 Ų | 99.9 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | cis | -138.2 | -179.9 | 36.6 | 39.2 | -20.5 | 0 | 0 | 0 | 115.9 | ||||
| 219 | S | 41.4 | Very low | 36.8 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -66.7 | 166.3 | 162.5 | -48.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 220 | P | 50 | Low | 36.8 | Very low | 133 Ų | 133 | 100.5 Ų | 100.5 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | -142.8 | -175.5 | 97.6 | 36.5 | -20.1 | 0 | 0 | 0 | 115.1 | |||||
| 221 | A | 32.7 | Very low | 36.5 | Very low | 107 Ų | 107 | 99.7 Ų | 99.7 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | trans | -89.5 | 170 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 222 | G | 29.9 | Very low | 36.9 | Very low | 81 Ų | 81 | 97.8 Ų | 97.8 | 84% | 0.835 | 83% | 0.83 | S | S | * | * | trans | 170.5 | 121.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 223 | A | 33 | Very low | 36.7 | Very low | 99 Ų | 99 | 98.2 Ų | 98.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -110.6 | -164.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 224 | P | 53.2 | Low | 36.7 | Very low | 129 Ų | 129 | 98.5 Ų | 98.5 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | cis | -129.1 | -174.3 | -28.9 | 34.1 | -14.9 | 0 | 0 | 0 | 113 | ||||
| 225 | G | 31.2 | Very low | 36.8 | Very low | 78 Ų | 78 | 103.2 Ų | 103.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 104.3 | 153.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 226 | A | 35.3 | Very low | 37.7 | Very low | 109 Ų | 109 | 105.1 Ų | 105.1 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | cis | -148.1 | -174.6 | 6.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 227 | A | 31.4 | Very low | 37.6 | Very low | 103 Ų | 103 | 104.8 Ų | 104.8 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -67.5 | 168.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 228 | G | 29.6 | Very low | 37.5 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | trans | -77.4 | -135.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 229 | P | 51.8 | Low | 36.7 | Very low | 137 Ų | 137 | 109.2 Ų | 109.2 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | cis | -129.7 | -170 | -4.2 | 42.5 | -26.1 | 0 | 0 | 0 | 113.3 | ||||
| 230 | G | 31.8 | Very low | 36.1 | Very low | 75 Ų | 75 | 107.6 Ų | 107.6 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | 132.1 | 119.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 231 | G | 30.6 | Very low | 35.4 | Very low | 76 Ų | 76 | 106.7 Ų | 106.7 | 78% | 0.784 | 84% | 0.843 | S | S | * | * | trans | -91.6 | -149.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 232 | P | 49.8 | Very low | 35.3 | Very low | 134 Ų | 134 | 106.1 Ų | 106.1 | 87% | 0.87 | 84% | 0.838 | S | S | * | * | cis | -137.4 | -178.9 | -0.6 | 42.7 | -26.2 | 0 | 0 | 0 | 115.2 | ||||
| 233 | G | 29.4 | Very low | 35.4 | Very low | 85 Ų | 85 | 107.2 Ų | 107.2 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | 91.3 | 133.3 | 143.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 234 | G | 31.6 | Very low | 35.3 | Very low | 83 Ų | 83 | 107.7 Ų | 107.7 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | trans | 154.8 | 63.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 235 | E | 35 | Very low | 34.3 | Very low | 186 Ų | 186 | 106.4 Ų | 106.4 | 87% | 0.869 | 84% | 0.844 | S | S | * | * | trans | -79.4 | 179.3 | 158.7 | -69.7 | -175.4 | 81.9 | 0 | 0 | 110.7 | ||||
| 236 | P | 49.8 | Very low | 34.4 | Very low | 124 Ų | 124 | 107.8 Ų | 107.8 | 81% | 0.805 | 85% | 0.847 | S | S | * | * | -126.7 | 167.7 | -51.8 | 35.4 | -22 | 0 | 0 | 0 | 111.4 | |||||
| 237 | G | 31.3 | Very low | 34.3 | Very low | 73 Ų | 73 | 107.7 Ų | 107.7 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | trans | 170.5 | 115.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 238 | K | 31.2 | Very low | 34.4 | Very low | 212 Ų | 212 | 107.8 Ų | 107.8 | 92% | 0.922 | 85% | 0.847 | S | S | * | * | trans | 57.7 | 122.1 | 145.8 | -67.3 | -179.7 | 173.7 | 178.1 | 0 | 120.7 | ||||
| 239 | G | 30.5 | Very low | 34.6 | Very low | 86 Ų | 86 | 109.2 Ų | 109.2 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | 93.3 | 111.4 | 123 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 240 | G | 29.9 | Very low | 33.7 | Very low | 77 Ų | 77 | 107.8 Ų | 107.8 | 79% | 0.794 | 85% | 0.852 | S | S | * | * | trans | -168.2 | 42 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A242 | G240-A242 PolarHBondContact O-N 3.22Š| ||
| 241 | A | 34.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 94% | 0.942 | 86% | 0.856 | S | S | * | * | trans | -72.9 | 105.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 242 | A | 31 | Very low | 33.9 | Very low | 94 Ų | 94 | 110.5 Ų | 110.5 | 78% | 0.777 | 86% | 0.859 | S | S | * | * | trans | -147 | 151.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G240 | G240-A242 PolarHBondContact O-N 3.22Š| ||
| 243 | A | 31.1 | Very low | 33 | Very low | 105 Ų | 105 | 108.9 Ų | 108.9 | 87% | 0.868 | 86% | 0.857 | S | S | * | * | trans | 75.4 | 75.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 244 | A | 30.2 | Very low | 33.1 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 90% | 0.901 | 86% | 0.858 | S | S | * | * | trans | -137 | 59.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 245 | A | 33.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 111.2 Ų | 111.2 | 84% | 0.843 | 86% | 0.86 | S | S | * | * | trans | -137.4 | 77.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 246 | A | 32.9 | Very low | 33 | Very low | 106 Ų | 106 | 107.1 Ų | 107.1 | 88% | 0.876 | 86% | 0.858 | S | S | * | * | trans | -166.7 | 73.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 247 | A | 33.2 | Very low | 32.1 | Very low | 107 Ų | 107 | 106 Ų | 106 | 88% | 0.884 | 86% | 0.859 | S | S | * | * | trans | -155.3 | 34.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 248 | A | 33.9 | Very low | 32.2 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 88% | 0.876 | 86% | 0.863 | S | S | * | * | trans | -102.8 | 83.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 249 | A | 33.3 | Very low | 32.3 | Very low | 102 Ų | 102 | 102.2 Ų | 102.2 | 84% | 0.843 | 86% | 0.861 | S | S | * | * | trans | -166 | 68 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 250 | A | 33.6 | Very low | 32.6 | Very low | 107 Ų | 107 | 103.5 Ų | 103.5 | 88% | 0.884 | 86% | 0.863 | S | S | * | * | trans | -169.5 | 53.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 251 | A | 32.9 | Very low | 32.6 | Very low | 104 Ų | 104 | 103.5 Ų | 103.5 | 86% | 0.86 | 86% | 0.863 | S | S | * | * | trans | -145.1 | 72.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 252 | A | 32.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 101.8 Ų | 101.8 | 86% | 0.86 | 86% | 0.857 | S | S | * | * | trans | -156.4 | 73 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 253 | A | 30.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 105.7 Ų | 105.7 | 83% | 0.826 | 86% | 0.863 | S | S | * | * | trans | -161.8 | 140.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 254 | A | 31.2 | Very low | 32.2 | Very low | 107 Ų | 107 | 105.2 Ų | 105.2 | 88% | 0.884 | 86% | 0.86 | S | S | * | * | trans | 70.2 | 79 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 255 | A | 31.5 | Very low | 32.4 | Very low | 110 Ų | 110 | 105.1 Ų | 105.1 | 91% | 0.909 | 86% | 0.858 | S | S | * | * | trans | -135.6 | 70.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 256 | A | 34.9 | Very low | 32.5 | Very low | 101 Ų | 101 | 105.6 Ų | 105.6 | 84% | 0.835 | 86% | 0.863 | S | S | * | * | trans | -163.8 | 88.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 257 | A | 30.8 | Very low | 32.5 | Very low | 100 Ų | 100 | 104.5 Ų | 104.5 | 83% | 0.826 | 86% | 0.861 | S | S | * | * | trans | -169.4 | 146.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 258 | A | 32.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 103 Ų | 103 | 83% | 0.826 | 86% | 0.856 | S | S | * | * | trans | 61.8 | 101.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 259 | A | 32.9 | Very low | 33.3 | Very low | 106 Ų | 106 | 104.2 Ų | 104.2 | 88% | 0.876 | 86% | 0.855 | S | S | * | * | cis | 79.6 | 140.8 | 38.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 260 | A | 36.6 | Very low | 33.4 | Very low | 112 Ų | 112 | 102.3 Ų | 102.3 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | trans | -72.3 | 156.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 261 | G | 31.7 | Very low | 33.5 | Very low | 78 Ų | 78 | 106.9 Ų | 106.9 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | trans | 172.9 | 114.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 262 | G | 29.1 | Very low | 33.5 | Very low | 78 Ų | 78 | 105.1 Ų | 105.1 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | 76.4 | 119.7 | 159 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 263 | L | 29.7 | Very low | 33.6 | Very low | 176 Ų | 176 | 113 Ų | 113 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | cis | 93.5 | 123.5 | 46.3 | -167.4 | 83.2 | 0 | 0 | 0 | 113.3 | ||||
| 264 | A | 29.7 | Very low | 34 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | trans | 66.2 | 111.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 265 | A | 33.4 | Very low | 35.1 | Very low | 106 Ų | 106 | 113.9 Ų | 113.9 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | -161.3 | 124.3 | 117.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 266 | A | 35 | Very low | 35.2 | Very low | 113 Ų | 113 | 112 Ų | 112 | 93% | 0.934 | 84% | 0.836 | S | S | * | * | trans | -95.2 | 144.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | G | 33.1 | Very low | 36.7 | Very low | 82 Ų | 82 | 113.9 Ų | 113.9 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -163.4 | 95.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 268 | G | 36.4 | Very low | 37 | Very low | 76 Ų | 76 | 112.4 Ų | 112.4 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | trans | -96.8 | 152.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 269 | P | 47.9 | Very low | 38.3 | Very low | 131 Ų | 131 | 113.7 Ų | 113.7 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -100.1 | 138 | -179 | 35.7 | -31.5 | 0 | 0 | 0 | 114.4 | ||||
| 270 | G | 34.7 | Very low | 38.6 | Very low | 63 Ų | 63 | 116.4 Ų | 116.4 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | 89.1 | 116.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 271 | Q | 36 | Very low | 38.9 | Very low | 203 Ų | 203 | 117 Ų | 117 | 95% | 0.949 | 82% | 0.824 | S | S | * | * | 174.6 | 145.4 | 107.5 | -91.7 | 158.1 | 105.7 | 0 | 0 | 113 | |||||
| 272 | G | 34.4 | Very low | 39.4 | Very low | 66 Ų | 66 | 118.7 Ų | 118.7 | 68% | 0.68 | 82% | 0.824 | S | S | * | * | trans | 92.5 | 105.9 | 130.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 273 | W | 34.2 | Very low | 40.3 | Very low | 269 Ų | 269 | 122.3 Ų | 122.3 | 100% | 1.019 | 82% | 0.823 | S | S | * | * | trans | 83.5 | 145.7 | 144.7 | -61.7 | -2.4 | 0 | 0 | 0 | 120.8 | ||||
| 274 | A | 39 | Very low | 41.4 | Very low | 92 Ų | 92 | 120 Ų | 120 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -125 | -173.6 | 176 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 275 | P | 53.3 | Low | 41.9 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | cis | -134.7 | -176.8 | -2.1 | 42.5 | -25.5 | 0 | 0 | 0 | 114.8 | ||||
| 276 | G | 34.4 | Very low | 42.5 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | 133.1 | 125.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 277 | P | 66 | Low | 43 | Very low | 140 Ų | 140 | 123.7 Ų | 123.7 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -99 | 139.9 | 173.5 | 35.9 | -29.9 | 0 | 0 | 0 | 112.8 | ||||
| 278 | G | 37.1 | Very low | 43.3 | Very low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -156.5 | 128 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 279 | P | 59.1 | Low | 43.3 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -100.3 | 126.4 | -174.4 | 35 | -29.6 | 0 | 0 | 0 | 112.2 | ||||
| 280 | I | 40.5 | Very low | 43.4 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -146.4 | 120 | 161.6 | 4.3 | 179.8 | 0 | 0 | 0 | 113.3 | ||||
| 281 | T | 41.8 | Very low | 43.6 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -13.6 | 134.6 | 152.1 | 55 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 282 | S | 42.1 | Very low | 44.1 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | -173.3 | 131.5 | 112.9 | 39.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 283 | I | 47.8 | Very low | 44.5 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 80% | 0.795 | 81% | 0.806 | S | S | * | * | trans | -77.7 | 146.2 | 164 | -66.7 | 159.7 | 0 | 0 | 0 | 107.5 | D285 | I283-D285 HydrophobicContact CG2-CB 4.21Š| ||
| 284 | P | 53.7 | Low | 45.1 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -117.2 | 129.4 | 129.4 | 32.3 | -31.3 | 0 | 0 | 0 | 111.8 | |||||
| 285 | D | 41 | Very low | 45.3 | Very low | 134 Ų | 134 | 125 Ų | 125 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | -84.4 | 170.2 | 173.6 | 178.7 | -110.9 | 0 | 0 | 0 | 110.2 | I283 | I283-D285 HydrophobicContact CG2-CB 4.21Š| ||
| 286 | S | 45.8 | Very low | 44.6 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | trans | 99 | 131.2 | 143.4 | -109.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 287 | L | 45.5 | Very low | 44.7 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 73 | 114.7 | 160.9 | -47.5 | 175.7 | 0 | 0 | 0 | 116.9 | ||||
| 288 | G | 38.3 | Very low | 43.5 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -173 | 165.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 289 | G | 36.8 | Very low | 44 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -75.3 | -168.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 290 | P | 50 | Low | 43.2 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -132.6 | 146.6 | 35.6 | 38.5 | -23.1 | 0 | 0 | 0 | 116.1 | ||||
| 291 | F | 39.9 | Very low | 43.8 | Very low | 214 Ų | 214 | 133.2 Ų | 133.2 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 164 | 61 | 138.6 | -84.9 | -56.2 | 0 | 0 | 0 | 110 | ||
| 292 | A | 45.7 | Very low | 43.9 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -148.4 | 84.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 293 | S | 43.3 | Very low | 43.9 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 169.2 | 120.1 | 144.3 | -81.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 294 | V | 45.4 | Very low | 43.6 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | -152.3 | 123.5 | 120.9 | 147.9 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 295 | L | 43.9 | Very low | 43.1 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | trans | -99.3 | 161.1 | 169.6 | -95.1 | 165.6 | 0 | 0 | 0 | 109.5 | ||||
| 296 | S | 37.7 | Very low | 43.1 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | 80.1 | 99.3 | 155.5 | -154.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 297 | S | 38.3 | Very low | 43 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | -167.8 | 110.4 | 125.9 | -81.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 298 | L | 39.5 | Very low | 42.9 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | 84.3 | 136.8 | 83.8 | -124.4 | 76.4 | 0 | 0 | 0 | 114.4 | |||||
| 299 | Q | 48.4 | Very low | 43.3 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 77% | 0.771 | 83% | 0.826 | S | S | * | * | trans | 72.1 | 97.5 | 163.6 | -126.4 | 61.8 | 3.1 | 0 | 0 | 120.9 | ||||
| 300 | R | 41.1 | Very low | 43.6 | Very low | 230 Ų | 230 | 143.4 Ų | 143.4 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | trans | -105.4 | 115.5 | 154.3 | 179.5 | -174.4 | -69.8 | -148.6 | -0.7 | 108 | N302 | R300-N302 PolarHBondContact O-N 3.23Š| ||
| 301 | P | 52.9 | Low | 43.7 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 84% | 0.836 | S | S | * | * | trans | -79.5 | 120.9 | 175.8 | 29.8 | -31.1 | 0 | 0 | 0 | 110.9 | ||||
| 302 | N | 45.5 | Very low | 44.3 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -83.6 | 153.3 | 163.3 | -113.9 | -29.5 | 0 | 0 | 0 | 109.6 | R300 | R300-N302 PolarHBondContact O-N 3.23Š| ||
| 303 | G | 41 | Very low | 44.5 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -87.3 | -175.6 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 304 | A | 42.6 | Very low | 44.7 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 80% | 0.802 | 85% | 0.849 | S | S | * | * | trans | 75.6 | 91 | 162 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 305 | K | 41.8 | Very low | 44.7 | Very low | 213 Ų | 213 | 150.1 Ų | 150.1 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | 36.2 | 118.8 | 122.4 | -60.2 | -178.4 | 179.4 | -178 | 0 | 119.7 | |||||
| 306 | A | 41.4 | Very low | 44.8 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | -152.4 | 121.7 | 128 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 307 | A | 44.1 | Very low | 45.1 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 91% | 0.909 | 85% | 0.853 | S | S | * | * | trans | -99.6 | 125.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 308 | L | 43.9 | Very low | 45.5 | Very low | 171 Ų | 171 | 154 Ų | 154 | 90% | 0.895 | 86% | 0.857 | S | S | * | * | trans | -113.9 | 97.9 | -179.2 | 177.4 | 102 | 0 | 0 | 0 | 109.9 | ||||
| 309 | V | 46.2 | Very low | 45.9 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 84% | 0.842 | 86% | 0.861 | S | S | * | * | trans | -147.4 | 107.5 | 156.4 | -179 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 310 | K | 43.2 | Very low | 45.8 | Very low | 212 Ų | 212 | 153.5 Ų | 153.5 | 92% | 0.922 | 87% | 0.868 | S | S | * | * | trans | -166.4 | 97.2 | 150.3 | -112.8 | 169.2 | -176.1 | 179.1 | 0 | 110.8 | ||||
| 311 | S | 52.6 | Low | 46.1 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 79% | 0.79 | 87% | 0.868 | S | S | * | * | trans | -145 | 107.3 | 161 | -168.2 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 312 | S | 50.9 | Low | 45.6 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 88% | 0.876 | S | S | * | * | 68.9 | 76.8 | 52 | -169.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 313 | M | 51.4 | Low | 45.6 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 87% | 0.867 | 88% | 0.877 | S | S | * | * | trans | -170.2 | 131.2 | 140.2 | -105.2 | 163.6 | -168.8 | 0 | 0 | 111.1 | ||||
| 314 | F | 47.7 | Very low | 46 | Very low | 282 Ų | 282 | 156.8 Ų | 156.8 | 100% | 1.237 | 89% | 0.892 | S | S | * | * | trans | 59.5 | 0 | 172.5 | -78 | -90.2 | 0 | 0 | 0 | 118.4 |
Retrieved 314 of 314 residues in 161.4 ms
(Link to these results)