| 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 | 52.5 | Low | 66.2 | Low | 248 Ų | 248 | 140.2 Ų | 140.2 | 100% | 1.222 | 76% | 0.76 | S | S | * | * | 0 | 84.3 | 0 | -63 | 174 | 77.1 | 0 | 0 | 108.9 | |||||
| 2 | S | 65.1 | Low | 67.6 | Low | 134 Ų | 134 | 132.9 Ų | 132.9 | 94% | 0.937 | 73% | 0.727 | S | S | * | * | trans | -136.3 | 106.8 | 179.4 | -167.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | G | 64.8 | Low | 69.1 | Low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | trans | 179.9 | 12.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 4 | R | 63.9 | Low | 70.5 | Confident | 234 Ų | 234 | 128.6 Ų | 128.6 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -103.6 | -7.7 | -178.8 | -66.5 | -173.6 | 179.7 | -112.9 | 1.1 | 114.6 | ||
| 5 | S | 64.7 | Low | 71.9 | Confident | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -79.5 | -37.6 | -169.5 | -161.8 | 0 | 0 | 0 | 0 | 114.5 | R7 A8 | S5-R7 VanDerWaalsContact C-N 3.25Å; S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.13Å; S5-A8 PolarHBondContact O-N 3.44Å |
| 6 | G | 65.4 | Low | 73.3 | Confident | 57 Ų | 57 | 125.2 Ų | 125.2 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -64.3 | -22.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T10 | G6-T10 PolarHBondContact O-OG1 3.41Å |
| 7 | R | 61.9 | Low | 74.5 | Confident | 214 Ų | 214 | 122.5 Ų | 122.5 | 81% | 0.808 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80 | -28.2 | 178.9 | -171.2 | 175.9 | 179.5 | -175.6 | 0.7 | 113.1 | S5 T10 R11 | S5-R7 VanDerWaalsContact C-N 3.25Å; S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.13Å; R7-T10 PolarHBondContact O-OG1 3.24Å; R7-R11 PolarHBondContact O-N 3.15Å |
| 8 | A | 70.6 | Confident | 75.6 | Confident | 70 Ų | 70 | 121.6 Ų | 121.6 | 58% | 0.579 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -71.6 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S5 R11 S12 | S5-A8 PolarHBondContact O-N 3.44Å; A8-R11 PolarHBondContact O-N 3.05Å; A8-S12 PolarHBondContact O-N 3.24Å |
| 9 | E | 72.1 | Confident | 76.8 | Confident | 111 Ų | 111 | 120.7 Ų | 120.7 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.5 | -45.8 | -178.8 | -166.9 | 173.5 | 124.3 | 0 | 0 | 112.2 | R11 S12 R13 | E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 3.34Å; E9-S12 PolarHBondContact O-N 3.01Å; E9-S12 PolarHBondContact O-OG 2.79Å; E9-R13 PolarHBondContact O-N 3.37Å; E9-R13 IonicContact OE1-CZ 3.43Å; E9-R13 IonicContact OE1-NE 3.78Å; E9-R13 IonicContact OE1-NH2 3.05Å; E9-R13 PolarHBondContact OE1-NH2 3.37Å |
| 10 | T | 72.7 | Confident | 77.8 | Confident | 92 Ų | 92 | 121.3 Ų | 121.3 | 56% | 0.564 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.9 | -33.1 | 179.7 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | G6 R7 | G6-T10 PolarHBondContact O-OG1 3.41Å; R7-T10 PolarHBondContact O-OG1 3.24Å |
| 11 | R | 74.9 | Confident | 78.7 | Confident | 206 Ų | 206 | 119.6 Ų | 119.6 | 78% | 0.777 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.9 | -30 | 177.1 | -166.4 | 178.4 | -176.6 | -130.9 | 2.8 | 113.1 | R7 A8 E9 K15 | R7-R11 PolarHBondContact O-N 3.15Å; A8-R11 PolarHBondContact O-N 3.05Å; E9-R11 VanDerWaalsContact C-N 3.3Å; E9-R11 PolarHBondContact O-N 3.34Å; R11-K15 PolarHBondContact O-N 3.2Å |
| 12 | S | 82.1 | Confident | 80.9 | Confident | 53 Ų | 53 | 112.9 Ų | 112.9 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.8 | -46.3 | 179.5 | 69 | 0 | 0 | 0 | 0 | 112.1 | A8 E9 A14 K15 D16 | A8-S12 PolarHBondContact O-N 3.24Å; E9-S12 PolarHBondContact O-N 3.01Å; E9-S12 PolarHBondContact O-OG 2.79Å; S12-A14 PolarHBondContact O-N 3.41Å; S12-K15 WeakPolarHBondContact O-CB 3.31Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-K15 VanDerWaalsContact O-N 3.1Å; S12-D16 PolarHBondContact O-N 3.34Å |
| 13 | R | 87.4 | Confident | 82.3 | Confident | 152 Ų | 152 | 109 Ų | 109 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.5 | -49.8 | 178.9 | -66.2 | 179.6 | -174.5 | -114.8 | 4 | 112.1 | E9 K15 D16 D17 | E9-R13 PolarHBondContact O-N 3.37Å; E9-R13 IonicContact OE1-CZ 3.43Å; E9-R13 IonicContact OE1-NE 3.78Å; E9-R13 IonicContact OE1-NH2 3.05Å; E9-R13 PolarHBondContact OE1-NH2 3.37Å; R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.39Å; R13-D16 PolarHBondContact O-N 2.81Å; R13-D16 VanDerWaalsContact O-N 3.12Å; R13-D17 PolarHBondContact O-N 3.13Å |
| 14 | A | 89.3 | Confident | 83.8 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.6 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S12 I18 | S12-A14 PolarHBondContact O-N 3.41Å; A14-I18 WeakPolarHBondContact O-CD1 3.42Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.08Å; A14-I18 PolarHBondContact O-N 2.76Å; A14-I18 VanDerWaalsContact O-N 3.15Å |
| 15 | K | 90.6 | Very high | 85.3 | Confident | 137 Ų | 137 | 99.6 Ų | 99.6 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.1 | -37.7 | 177.6 | -172.8 | -179.7 | 177.5 | -179.3 | 0 | 112.2 | R11 S12 R13 K19 | R11-K15 PolarHBondContact O-N 3.2Å; S12-K15 WeakPolarHBondContact O-CB 3.31Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-K15 VanDerWaalsContact O-N 3.1Å; R13-K15 VanDerWaalsContact C-N 3.28Å; R13-K15 PolarHBondContact O-N 3.39Å; K15-K19 WeakPolarHBondContact O-CG 3.49Å; K15-K19 PolarHBondContact O-N 3.01Å |
| 16 | D | 94.6 | Very high | 86.8 | Confident | 65 Ų | 65 | 99.4 Ų | 99.4 | 35% | 0.348 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.5 | -34.7 | 178.6 | -67.3 | -35.8 | 0 | 0 | 0 | 112.3 | S12 R13 K19 K20 | S12-D16 PolarHBondContact O-N 3.34Å; R13-D16 PolarHBondContact O-N 2.81Å; R13-D16 VanDerWaalsContact O-N 3.12Å; D16-K19 WeakPolarHBondContact O-CB 3.34Å; D16-K19 PolarHBondContact O-N 3.42Å; D16-K19 IonicContact OD1-NZ 2.73Å; D16-K19 PolarHBondContact OD1-NZ 2.84Å; D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 3.19Å |
| 17 | D | 94 | Very high | 88.1 | Confident | 80 Ų | 80 | 103.9 Ų | 103.9 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 174.6 | -68.2 | -17.4 | 0 | 0 | 0 | 111.4 | R13 K19 K20 V21 | R13-D17 PolarHBondContact O-N 3.13Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 3.36Å; D17-K20 WeakPolarHBondContact O-CB 3.16Å; D17-K20 PolarHBondContact O-N 3.12Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 2.86Å; D17-V21 WeakPolarHBondContact O-CG2 2.85Å; D17-V21 PolarHBondContact O-N 3.29Å |
| 18 | I | 95.2 | Very high | 89.7 | Confident | 106 Ų | 106 | 98 Ų | 98 | 54% | 0.544 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 170.7 | -67.6 | 163.9 | 0 | 0 | 0 | 110.8 | A14 K20 V21 L22 | A14-I18 WeakPolarHBondContact O-CD1 3.42Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.08Å; A14-I18 PolarHBondContact O-N 2.76Å; A14-I18 VanDerWaalsContact O-N 3.15Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.46Å; I18-V21 PolarHBondContact O-N 3.37Å; I18-L22 HydrophobicContact CG2-CD1 4.07Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.15Å |
| 19 | K | 96.8 | Very high | 90.8 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 46% | 0.457 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.8 | -68.9 | 176.8 | -153.1 | 145.9 | 0 | 111.9 | K15 D16 D17 L22 A23 | K15-K19 WeakPolarHBondContact O-CG 3.49Å; K15-K19 PolarHBondContact O-N 3.01Å; D16-K19 WeakPolarHBondContact O-CB 3.34Å; D16-K19 PolarHBondContact O-N 3.42Å; D16-K19 IonicContact OD1-NZ 2.73Å; D16-K19 PolarHBondContact OD1-NZ 2.84Å; D17-K19 VanDerWaalsContact C-N 3.35Å; D17-K19 PolarHBondContact O-N 3.36Å; K19-L22 PolarHBondContact O-N 2.94Å; K19-A23 VanDerWaalsContact O-CB 3.26Å; K19-A23 WeakPolarHBondContact O-CB 3Å; K19-A23 PolarHBondContact O-N 3.37Å |
| 20 | K | 97 | Very high | 91.8 | Very high | 132 Ų | 132 | 102 Ų | 102 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 176.3 | -72.4 | 172.9 | -164.6 | 156.4 | 0 | 111.1 | D16 D17 I18 A23 A24 | D16-K20 WeakPolarHBondContact O-CG 3.45Å; D16-K20 PolarHBondContact O-N 3.19Å; D17-K20 WeakPolarHBondContact O-CB 3.16Å; D17-K20 PolarHBondContact O-N 3.12Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 2.86Å; I18-K20 VanDerWaalsContact C-N 3.33Å; I18-K20 PolarHBondContact O-N 3.46Å; K20-A23 PolarHBondContact O-N 3.19Å; K20-A24 VanDerWaalsContact O-CB 3.26Å; K20-A24 WeakPolarHBondContact O-CB 3.1Å; K20-A24 PolarHBondContact O-N 2.95Å |
| 21 | V | 97.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 176.8 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | D17 I18 A23 A24 I25 | D17-V21 WeakPolarHBondContact O-CG2 2.85Å; D17-V21 PolarHBondContact O-N 3.29Å; I18-V21 PolarHBondContact O-N 3.37Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 2.86Å; V21-A24 PolarHBondContact O-N 3.4Å; V21-A24 VanDerWaalsContact O-N 3.16Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.35Å; V21-I25 VanDerWaalsContact O-CG1 3.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 2.78Å |
| 22 | L | 97.5 | Very high | 93.9 | Very high | 108 Ų | 108 | 95.4 Ų | 95.4 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.2 | -44.2 | 176.7 | -69 | 175 | 0 | 0 | 0 | 111.8 | I18 K19 I25 E26 | I18-L22 HydrophobicContact CG2-CD1 4.07Å; I18-L22 HydrophobicContact CG2-CG 4.4Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 3.15Å; K19-L22 PolarHBondContact O-N 2.94Å; L22-I25 PolarHBondContact O-N 3.38Å; L22-E26 WeakPolarHBondContact O-CB 3.44Å; L22-E26 PolarHBondContact O-N 2.82Å |
| 23 | A | 96.3 | Very high | 94.6 | Very high | 51 Ų | 51 | 98.3 Ų | 98.3 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -37 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K19 K20 V21 E26 K27 | K19-A23 VanDerWaalsContact O-CB 3.26Å; K19-A23 WeakPolarHBondContact O-CB 3Å; K19-A23 PolarHBondContact O-N 3.37Å; K20-A23 PolarHBondContact O-N 3.19Å; V21-A23 VanDerWaalsContact C-N 3.32Å; V21-A23 PolarHBondContact O-N 2.86Å; A23-E26 PolarHBondContact O-N 3.4Å; A23-K27 VanDerWaalsContact O-CG 3.31Å; A23-K27 WeakPolarHBondContact O-CG 3.39Å; A23-K27 PolarHBondContact O-N 2.89Å |
| 24 | A | 95.9 | Very high | 95 | Very high | 49 Ų | 49 | 94.3 Ų | 94.3 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K20 V21 E26 K27 V28 | K20-A24 VanDerWaalsContact O-CB 3.26Å; K20-A24 WeakPolarHBondContact O-CB 3.1Å; K20-A24 PolarHBondContact O-N 2.95Å; V21-A24 PolarHBondContact O-N 3.4Å; V21-A24 VanDerWaalsContact O-N 3.16Å; A24-E26 VanDerWaalsContact C-N 3.34Å; A24-K27 WeakPolarHBondContact O-CB 3.31Å; A24-K27 PolarHBondContact O-N 2.94Å; A24-V28 WeakPolarHBondContact O-CG2 3.08Å; A24-V28 PolarHBondContact O-N 3.05Å |
| 25 | I | 95.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 97.7 Ų | 97.7 | 33% | 0.333 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 173.7 | -66 | 165.1 | 0 | 0 | 0 | 109.8 | V21 L22 K27 V28 R29 | V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.35Å; V21-I25 VanDerWaalsContact O-CG1 3.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.42Å; V21-I25 PolarHBondContact O-N 2.78Å; L22-I25 PolarHBondContact O-N 3.38Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.36Å; I25-V28 PolarHBondContact O-N 2.88Å; I25-V28 VanDerWaalsContact O-N 3.12Å; I25-R29 HydrophobicContact CG2-CG 4.25Å; I25-R29 WeakPolarHBondContact O-CB 3.38Å; I25-R29 WeakPolarHBondContact O-CG 3.31Å; I25-R29 PolarHBondContact O-N 3.35Å |
| 26 | E | 95.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 93.7 Ų | 93.7 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 178.3 | -174.1 | 54.9 | -150.4 | 0 | 0 | 112 | L22 A23 A24 V28 R29 K30 | L22-E26 WeakPolarHBondContact O-CB 3.44Å; L22-E26 PolarHBondContact O-N 2.82Å; A23-E26 PolarHBondContact O-N 3.4Å; A24-E26 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 3.4Å; E26-R29 PolarHBondContact O-N 3.44Å; E26-K30 PolarHBondContact O-N 2.96Å; E26-K30 WeakPolarHBondContact OE1-CE 3.06Å |
| 27 | K | 92.4 | Very high | 95.6 | Very high | 150 Ų | 150 | 94.3 Ų | 94.3 | 65% | 0.652 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.9 | -44.2 | 173.2 | -76.3 | 173 | -178.9 | 176.8 | 0 | 112.3 | A23 A24 I25 K30 W31 | A23-K27 VanDerWaalsContact O-CG 3.31Å; A23-K27 WeakPolarHBondContact O-CG 3.39Å; A23-K27 PolarHBondContact O-N 2.89Å; A24-K27 WeakPolarHBondContact O-CB 3.31Å; A24-K27 PolarHBondContact O-N 2.94Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 3.36Å; K27-K30 PolarHBondContact O-N 3.25Å; K27-W31 PolarHBondContact O-NE1 3.05Å |
| 28 | V | 95 | Very high | 95.7 | Very high | 91 Ų | 91 | 93.6 Ų | 93.6 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.9 | -33.2 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | A24 I25 E26 K30 W31 | A24-V28 WeakPolarHBondContact O-CG2 3.08Å; A24-V28 PolarHBondContact O-N 3.05Å; I25-V28 PolarHBondContact O-N 2.88Å; I25-V28 VanDerWaalsContact O-N 3.12Å; E26-V28 PolarHBondContact O-N 3.4Å; V28-K30 PolarHBondContact O-N 3.16Å; V28-W31 VanDerWaalsContact O-CB 3.31Å; V28-W31 WeakPolarHBondContact O-CB 3.26Å; V28-W31 PolarHBondContact O-N 2.8Å |
| 29 | R | 95 | Very high | 95.5 | Very high | 186 Ų | 186 | 91.9 Ų | 91.9 | 70% | 0.702 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.1 | -27.5 | 174.2 | -80.6 | -171.6 | 162.5 | 118.8 | 6.6 | 113.2 | I25 E26 W31 | I25-R29 HydrophobicContact CG2-CG 4.25Å; I25-R29 WeakPolarHBondContact O-CB 3.38Å; I25-R29 WeakPolarHBondContact O-CG 3.31Å; I25-R29 PolarHBondContact O-N 3.35Å; E26-R29 PolarHBondContact O-N 3.44Å; R29-W31 PolarHBondContact O-N 3.12Å |
| 30 | K | 93.5 | Very high | 95.2 | Very high | 80 Ų | 80 | 94.7 Ų | 94.7 | 35% | 0.348 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 22.7 | 174.2 | -64.3 | -175.2 | 175.7 | -165.5 | 0 | 113.1 | E26 K27 V28 V51 D53 | E26-K30 PolarHBondContact O-N 2.96Å; E26-K30 WeakPolarHBondContact OE1-CE 3.06Å; K27-K30 PolarHBondContact O-N 3.25Å; V28-K30 PolarHBondContact O-N 3.16Å; K30-V51 WeakPolarHBondContact O-CA 3.24Å; K30-V51 WeakPolarHBondContact O-CB 3.33Å; K30-V51 WeakPolarHBondContact O-CG2 3.46Å; K30-V51 PolarHBondContact O-N 2.92Å; K30-D53 IonicContact NZ-OD1 3.03Å; K30-D53 IonicContact NZ-OD2 3.86Å; K30-D53 PolarHBondContact NZ-OD2 3.22Å |
| 31 | W | 96.1 | Very high | 95.1 | Very high | 113 Ų | 113 | 92.2 Ų | 92.2 | 43% | 0.428 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 134.3 | 173.9 | -72.9 | 31 | 0 | 0 | 0 | 109.7 | K27 V28 R29 W48 V49 P50 | K27-W31 PolarHBondContact O-NE1 3.05Å; V28-W31 VanDerWaalsContact O-CB 3.31Å; V28-W31 WeakPolarHBondContact O-CB 3.26Å; V28-W31 PolarHBondContact O-N 2.8Å; R29-W31 PolarHBondContact O-N 3.12Å; W31-W48 HydrophobicContact CB-CB 4.45Å; W31-W48 HydrophobicContact CB-CE3 4.16Å; W31-W48 HydrophobicContact CD2-CB 4.49Å; W31-W48 HydrophobicContact CE3-CB 3.52Å; W31-W48 HydrophobicContact CZ3-CB 4.16Å; W31-V49 WeakPolarHBondContact CA-O 3.41Å; W31-P50 HydrophobicContact CZ2-CG 4.27Å |
| 32 | E | 95.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 93.9 Ų | 93.9 | 21% | 0.21 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 140.2 | 175.9 | 62.5 | 178.3 | 175.3 | 0 | 0 | 110.9 | K34 V49 V51 | E32-K34 HydrophobicContact CG-CG 3.97Å; E32-K34 PolarHBondContact O-N 3.49Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.34Å; E32-K34 PolarHBondContact OE1-NZ 3.42Å; E32-K34 WeakPolarHBondContact OE2-CE 3.45Å; E32-K34 IonicContact OE2-NZ 3.01Å; E32-K34 PolarHBondContact OE2-NZ 3.36Å; E32-V49 HydrophobicContact CG-CG2 3.81Å; E32-V49 PolarHBondContact N-O 3.5Å; E32-V49 WeakPolarHBondContact O-CG2 3.35Å; E32-V49 PolarHBondContact O-N 3.12Å; E32-V51 HydrophobicContact CB-CG2 3.46Å; E32-V51 VanDerWaalsContact CB-CG2 3.46Å; E32-V51 HydrophobicContact CG-CG2 3.39Å |
| 33 | K | 96.3 | Very high | 94.7 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.6 | 174 | -174.5 | 173 | 177.2 | 177.4 | 0 | 108.9 | F46 W48 | K33-F46 HydrophobicContact CD-CB 4.23Å; K33-F46 HydrophobicContact CD-CD1 4.04Å; K33-F46 HydrophobicContact CD-CE1 4.41Å; K33-F46 HydrophobicContact CD-CG 4.09Å; K33-F46 HydrophobicContact CG-CB 3.89Å; K33-F46 HydrophobicContact CG-CD1 3.46Å; K33-F46 VanDerWaalsContact CG-CD1 3.46Å; K33-F46 HydrophobicContact CG-CE1 4.04Å; K33-F46 HydrophobicContact CG-CG 3.86Å; K33-W48 HydrophobicContact CB-CD2 4.35Å; K33-W48 HydrophobicContact CB-CE3 4.06Å; K33-W48 HydrophobicContact CB-CH2 4.18Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.98Å; K33-W48 HydrophobicContact CD-CZ2 4.49Å |
| 34 | K | 95 | Very high | 94.7 | Very high | 68 Ų | 68 | 97.7 Ų | 97.7 | 30% | 0.296 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.3 | 178.2 | -70 | -75.4 | 175.4 | 159.3 | 0 | 111.6 | E32 V36 F46 K47 V49 | E32-K34 HydrophobicContact CG-CG 3.97Å; E32-K34 PolarHBondContact O-N 3.49Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.34Å; E32-K34 PolarHBondContact OE1-NZ 3.42Å; E32-K34 WeakPolarHBondContact OE2-CE 3.45Å; E32-K34 IonicContact OE2-NZ 3.01Å; E32-K34 PolarHBondContact OE2-NZ 3.36Å; K34-V36 PolarHBondContact O-N 3.26Å; K34-F46 CarbonylContact O-C 3.6Å; K34-F46 WeakPolarHBondContact O-CA 3.49Å; K34-K47 PolarHBondContact N-O 3.42Å; K34-K47 PolarHBondContact O-N 3.19Å; K34-V49 HydrophobicContact CB-CG2 3.86Å; K34-V49 HydrophobicContact CG-CG2 3.54Å |
| 35 | W | 96 | Very high | 94.7 | Very high | 124 Ų | 124 | 99.7 Ų | 99.7 | 47% | 0.47 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 116.2 | 167.7 | -72.4 | 115.8 | 0 | 0 | 0 | 110.2 | R44 I45 F46 | W35-R44 HydrophobicContact CB-CB 4.33Å; W35-R44 VanDerWaalsContact CB-NH2 3.3Å; W35-R44 HydrophobicContact CD2-CB 4.49Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.32Å; W35-I45 CarbonylContact C-O 3.57Å; W35-I45 WeakPolarHBondContact CA-O 3.49Å; W35-I45 VanDerWaalsContact CE3-C 3.45Å; W35-F46 AromaticContact CD1-CE1 3.54Å; W35-F46 AromaticContact CD1-CZ 3.93Å; W35-F46 AromaticContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD2 4.09Å; W35-F46 AromaticContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE2 4.04Å; W35-F46 AromaticContact CD2-CG 3.98Å; W35-F46 HydrophobicContact CD2-CG 3.98Å; W35-F46 AromaticContact CD2-CZ 3.82Å; W35-F46 HydrophobicContact CD2-CZ 3.82Å; W35-F46 AromaticContact CE2-CD1 3.89Å; W35-F46 AromaticContact CE2-CD2 3.85Å; W35-F46 AromaticContact CE2-CE1 3.37Å; W35-F46 AromaticContact CE2-CE2 3.33Å; W35-F46 AromaticContact CE2-CZ 3.07Å; W35-F46 HydrophobicContact CE3-CD1 4.08Å; W35-F46 AromaticContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CE1 4.4Å; W35-F46 HydrophobicContact CE3-CE2 4.31Å; W35-F46 AromaticContact CE3-CG 3.9Å; W35-F46 HydrophobicContact CE3-CG 3.9Å; W35-F46 AromaticContact CG-CD1 3.98Å; W35-F46 HydrophobicContact CG-CD1 3.98Å; W35-F46 AromaticContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CZ 4.33Å; W35-F46 AromaticContact CH2-CD2 3.39Å; W35-F46 HydrophobicContact CH2-CD2 3.39Å; W35-F46 AromaticContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CG 4.17Å; W35-F46 HydrophobicContact CH2-CZ 4.02Å; W35-F46 HydrophobicContact CZ2-CD1 4.42Å; W35-F46 AromaticContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CD2 3.54Å; W35-F46 AromaticContact CZ2-CE1 3.97Å; W35-F46 HydrophobicContact CZ2-CE1 3.97Å; W35-F46 AromaticContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CG 4.26Å; W35-F46 AromaticContact CZ2-CZ 3.23Å; W35-F46 HydrophobicContact CZ2-CZ 3.23Å; W35-F46 AromaticContact CZ3-CD2 3.62Å; W35-F46 HydrophobicContact CZ3-CD2 3.62Å; W35-F46 AromaticContact CZ3-CE2 3.98Å; W35-F46 HydrophobicContact CZ3-CE2 3.98Å; W35-F46 AromaticContact CZ3-CG 3.98Å; W35-F46 HydrophobicContact CZ3-CG 3.98Å; W35-F46 AromaticContact NE1-CE1 3.26Å; W35-F46 VanDerWaalsContact NE1-CE1 3.26Å; W35-F46 AromaticContact NE1-CE2 3.91Å; W35-F46 AromaticContact NE1-CZ 3.14Å |
| 36 | V | 95.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 100.7 Ų | 100.7 | 33% | 0.327 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.8 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | K34 R44 I45 K47 V49 | K34-V36 PolarHBondContact O-N 3.26Å; V36-R44 CarbonylContact O-C 3.54Å; V36-R44 WeakPolarHBondContact O-CA 3.44Å; V36-I45 PolarHBondContact N-O 3.34Å; V36-I45 PolarHBondContact O-N 2.83Å; V36-K47 HydrophobicContact CB-CB 4.44Å; V36-K47 HydrophobicContact CG2-CB 3.91Å; V36-V49 HydrophobicContact CG2-CG1 4.34Å |
| 37 | T | 96.5 | Very high | 94.8 | Very high | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 140.9 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | T41 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.43Å; T37-L43 WeakPolarHBondContact CA-O 3.4Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å |
| 38 | V | 95.9 | Very high | 95 | Very high | 66 Ų | 66 | 102.1 Ų | 102.1 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | trans | -97.8 | 113.3 | -179.4 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | T41 L43 I45 | V38-T41 PolarHBondContact O-N 3.21Å; V38-L43 PolarHBondContact N-O 3.01Å; V38-I45 HydrophobicContact CG2-CB 4.08Å; V38-I45 HydrophobicContact CG2-CD1 3.38Å; V38-I45 HydrophobicContact CG2-CG1 3.51Å | ||
| 39 | G | 91.2 | Very high | 95 | Very high | 70 Ų | 70 | 99.3 Ų | 99.3 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -137.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 40 | D | 91.6 | Very high | 95 | Very high | 164 Ų | 164 | 94.5 Ų | 94.5 | 88% | 0.877 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 2.6 | 176.5 | 62.5 | -26.4 | 0 | 0 | 0 | 113.5 | ||
| 41 | T | 93.9 | Very high | 95 | Very high | 80 Ų | 80 | 92.1 Ų | 92.1 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -84.7 | 160.2 | -179.1 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | T37 V38 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.43Å; V38-T41 PolarHBondContact O-N 3.21Å; T41-L43 HydrophobicContact CG2-CB 4.05Å; T41-L43 PolarHBondContact O-N 2.89Å |
| 42 | S | 91.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 84% | 0.839 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -72.5 | -1.8 | 172.2 | 61.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 43 | L | 95.9 | Very high | 92.8 | Very high | 103 Ų | 103 | 93.3 Ų | 93.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | trans | -74.3 | 138.6 | -177.5 | -166.3 | 67.5 | 0 | 0 | 0 | 111 | T37 V38 T41 | T37-L43 WeakPolarHBondContact CA-O 3.4Å; T37-L43 WeakPolarHBondContact CG2-O 3.5Å; V38-L43 PolarHBondContact N-O 3.01Å; T41-L43 HydrophobicContact CG2-CB 4.05Å; T41-L43 PolarHBondContact O-N 2.89Å | ||
| 44 | R | 95.1 | Very high | 91 | Very high | 136 Ų | 136 | 92.6 Ų | 92.6 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.4 | 177.5 | -60.6 | 172.8 | 71.9 | -162 | 5 | 109.4 | W35 V36 | W35-R44 HydrophobicContact CB-CB 4.33Å; W35-R44 VanDerWaalsContact CB-NH2 3.3Å; W35-R44 HydrophobicContact CD2-CB 4.49Å; W35-R44 HydrophobicContact CE3-CB 3.93Å; W35-R44 WeakPolarHBondContact CZ3-O 3.32Å; V36-R44 CarbonylContact O-C 3.54Å; V36-R44 WeakPolarHBondContact O-CA 3.44Å |
| 45 | I | 96.8 | Very high | 89.1 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 46% | 0.462 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 146 | 177.7 | -63 | -178.7 | 0 | 0 | 0 | 109.2 | W35 V36 V38 K47 | W35-I45 CarbonylContact C-O 3.57Å; W35-I45 WeakPolarHBondContact CA-O 3.49Å; W35-I45 VanDerWaalsContact CE3-C 3.45Å; V36-I45 PolarHBondContact N-O 3.34Å; V36-I45 PolarHBondContact O-N 2.83Å; V38-I45 HydrophobicContact CG2-CB 4.08Å; V38-I45 HydrophobicContact CG2-CD1 3.38Å; V38-I45 HydrophobicContact CG2-CG1 3.51Å; I45-K47 PolarHBondContact O-N 3.41Å |
| 46 | F | 96.6 | Very high | 87.1 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 38% | 0.382 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 120.6 | 170.7 | -79.4 | -63.4 | 0 | 0 | 0 | 111.3 | K33 K34 W35 | K33-F46 HydrophobicContact CD-CB 4.23Å; K33-F46 HydrophobicContact CD-CD1 4.04Å; K33-F46 HydrophobicContact CD-CE1 4.41Å; K33-F46 HydrophobicContact CD-CG 4.09Å; K33-F46 HydrophobicContact CG-CB 3.89Å; K33-F46 HydrophobicContact CG-CD1 3.46Å; K33-F46 VanDerWaalsContact CG-CD1 3.46Å; K33-F46 HydrophobicContact CG-CE1 4.04Å; K33-F46 HydrophobicContact CG-CG 3.86Å; K34-F46 CarbonylContact O-C 3.6Å; K34-F46 WeakPolarHBondContact O-CA 3.49Å; W35-F46 AromaticContact CD1-CE1 3.54Å; W35-F46 AromaticContact CD1-CZ 3.93Å; W35-F46 AromaticContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD1 3.71Å; W35-F46 HydrophobicContact CD2-CD2 4.09Å; W35-F46 AromaticContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE1 3.64Å; W35-F46 HydrophobicContact CD2-CE2 4.04Å; W35-F46 AromaticContact CD2-CG 3.98Å; W35-F46 HydrophobicContact CD2-CG 3.98Å; W35-F46 AromaticContact CD2-CZ 3.82Å; W35-F46 HydrophobicContact CD2-CZ 3.82Å; W35-F46 AromaticContact CE2-CD1 3.89Å; W35-F46 AromaticContact CE2-CD2 3.85Å; W35-F46 AromaticContact CE2-CE1 3.37Å; W35-F46 AromaticContact CE2-CE2 3.33Å; W35-F46 AromaticContact CE2-CZ 3.07Å; W35-F46 HydrophobicContact CE3-CD1 4.08Å; W35-F46 AromaticContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CD2 3.98Å; W35-F46 HydrophobicContact CE3-CE1 4.4Å; W35-F46 HydrophobicContact CE3-CE2 4.31Å; W35-F46 AromaticContact CE3-CG 3.9Å; W35-F46 HydrophobicContact CE3-CG 3.9Å; W35-F46 AromaticContact CG-CD1 3.98Å; W35-F46 HydrophobicContact CG-CD1 3.98Å; W35-F46 AromaticContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CE1 3.79Å; W35-F46 HydrophobicContact CG-CZ 4.33Å; W35-F46 AromaticContact CH2-CD2 3.39Å; W35-F46 HydrophobicContact CH2-CD2 3.39Å; W35-F46 AromaticContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CE2 3.32Å; W35-F46 HydrophobicContact CH2-CG 4.17Å; W35-F46 HydrophobicContact CH2-CZ 4.02Å; W35-F46 HydrophobicContact CZ2-CD1 4.42Å; W35-F46 AromaticContact CZ2-CD2 3.54Å; W35-F46 HydrophobicContact CZ2-CD2 3.54Å; W35-F46 AromaticContact CZ2-CE1 3.97Å; W35-F46 HydrophobicContact CZ2-CE1 3.97Å; W35-F46 AromaticContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CE2 2.96Å; W35-F46 HydrophobicContact CZ2-CG 4.26Å; W35-F46 AromaticContact CZ2-CZ 3.23Å; W35-F46 HydrophobicContact CZ2-CZ 3.23Å; W35-F46 AromaticContact CZ3-CD2 3.62Å; W35-F46 HydrophobicContact CZ3-CD2 3.62Å; W35-F46 AromaticContact CZ3-CE2 3.98Å; W35-F46 HydrophobicContact CZ3-CE2 3.98Å; W35-F46 AromaticContact CZ3-CG 3.98Å; W35-F46 HydrophobicContact CZ3-CG 3.98Å; W35-F46 AromaticContact NE1-CE1 3.26Å; W35-F46 VanDerWaalsContact NE1-CE1 3.26Å; W35-F46 AromaticContact NE1-CE2 3.91Å; W35-F46 AromaticContact NE1-CZ 3.14Å |
| 47 | K | 96.4 | Very high | 85 | Confident | 122 Ų | 122 | 97.4 Ų | 97.4 | 53% | 0.53 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | 169.9 | -164.4 | 171.7 | 77.4 | 172.9 | 0 | 109.5 | K34 V36 I45 V49 | K34-K47 PolarHBondContact N-O 3.42Å; K34-K47 PolarHBondContact O-N 3.19Å; V36-K47 HydrophobicContact CB-CB 4.44Å; V36-K47 HydrophobicContact CG2-CB 3.91Å; I45-K47 PolarHBondContact O-N 3.41Å; K47-V49 HydrophobicContact CB-CG1 4.49Å; K47-V49 PolarHBondContact O-N 3.39Å |
| 48 | W | 96.8 | Very high | 82.7 | Confident | 154 Ų | 154 | 102.7 Ų | 102.7 | 58% | 0.583 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 118 | 167.5 | -65.1 | 100.6 | 0 | 0 | 0 | 108.9 | W31 K33 | W31-W48 HydrophobicContact CB-CB 4.45Å; W31-W48 HydrophobicContact CB-CE3 4.16Å; W31-W48 HydrophobicContact CD2-CB 4.49Å; W31-W48 HydrophobicContact CE3-CB 3.52Å; W31-W48 HydrophobicContact CZ3-CB 4.16Å; K33-W48 HydrophobicContact CB-CD2 4.35Å; K33-W48 HydrophobicContact CB-CE3 4.06Å; K33-W48 HydrophobicContact CB-CH2 4.18Å; K33-W48 HydrophobicContact CB-CZ2 4.46Å; K33-W48 HydrophobicContact CB-CZ3 3.98Å; K33-W48 HydrophobicContact CD-CZ2 4.49Å |
| 49 | V | 94.8 | Very high | 80.4 | Confident | 32 Ų | 32 | 107.8 Ų | 107.8 | 19% | 0.194 | 55% | 0.55 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.6 | 179.8 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | W31 E32 K34 V36 K47 V51 | W31-V49 WeakPolarHBondContact CA-O 3.41Å; E32-V49 HydrophobicContact CG-CG2 3.81Å; E32-V49 PolarHBondContact N-O 3.5Å; E32-V49 WeakPolarHBondContact O-CG2 3.35Å; E32-V49 PolarHBondContact O-N 3.12Å; K34-V49 HydrophobicContact CB-CG2 3.86Å; K34-V49 HydrophobicContact CG-CG2 3.54Å; V36-V49 HydrophobicContact CG2-CG1 4.34Å; K47-V49 HydrophobicContact CB-CG1 4.49Å; K47-V49 PolarHBondContact O-N 3.39Å; V49-V51 PolarHBondContact O-N 3.03Å |
| 50 | P | 95 | Very high | 78.2 | Confident | 84 Ų | 84 | 107.1 Ų | 107.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 130.8 | 175.8 | -22 | 32.6 | 0 | 0 | 0 | 111.3 | W31 T52 | W31-P50 HydrophobicContact CZ2-CG 4.27Å; P50-T52 PolarHBondContact O-N 2.71Å |
| 51 | V | 92.4 | Very high | 76.1 | Confident | 31 Ų | 31 | 107.7 Ų | 107.7 | 19% | 0.188 | 53% | 0.529 | C | S | . | . | trans | -80.2 | 110.3 | 170.9 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | K30 E32 V49 | K30-V51 WeakPolarHBondContact O-CA 3.24Å; K30-V51 WeakPolarHBondContact O-CB 3.33Å; K30-V51 WeakPolarHBondContact O-CG2 3.46Å; K30-V51 PolarHBondContact O-N 2.92Å; E32-V51 HydrophobicContact CB-CG2 3.46Å; E32-V51 VanDerWaalsContact CB-CG2 3.46Å; E32-V51 HydrophobicContact CG-CG2 3.39Å; V49-V51 PolarHBondContact O-N 3.03Å | ||
| 52 | T | 81.4 | Confident | 73.9 | Confident | 97 Ų | 97 | 108.9 Ų | 108.9 | 60% | 0.595 | 54% | 0.54 | S | S | * | . | trans | -78.5 | 126.2 | 163.9 | 55.4 | 0 | 0 | 0 | 0 | 108.1 | P50 T54 | P50-T52 PolarHBondContact O-N 2.71Å; T52-T54 PolarHBondContact O-N 2.91Å; T52-T54 PolarHBondContact O-OG1 2.96Å; T52-T54 PolarHBondContact OG1-OG1 3.18Å | ||
| 53 | D | 63.8 | Low | 72.1 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -56.6 | -0.5 | -172.8 | -89 | -39.8 | 0 | 0 | 0 | 115.5 | K30 K55 Q56 | K30-D53 IonicContact NZ-OD1 3.03Å; K30-D53 IonicContact NZ-OD2 3.86Å; K30-D53 PolarHBondContact NZ-OD2 3.22Å; D53-K55 PolarHBondContact O-N 2.73Å; D53-Q56 PolarHBondContact O-N 2.85Å |
| 54 | T | 59.4 | Low | 69.7 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 61% | 0.613 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -61.2 | -19.7 | 174.1 | 15.9 | 0 | 0 | 0 | 0 | 114.8 | T52 | T52-T54 PolarHBondContact O-N 2.91Å; T52-T54 PolarHBondContact O-OG1 2.96Å; T52-T54 PolarHBondContact OG1-OG1 3.18Å |
| 55 | K | 54.6 | Low | 67.2 | Low | 142 Ų | 142 | 107.8 Ų | 107.8 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -101.9 | -15.4 | -179.8 | -62.3 | -162.9 | 178.6 | -171.2 | 0 | 115.1 | D53 I57 Y58 R59 | D53-K55 PolarHBondContact O-N 2.73Å; K55-I57 PolarHBondContact O-N 3.43Å; K55-Y58 PolarHBondContact O-N 3.21Å; K55-Y58 VanDerWaalsContact O-N 3.15Å; K55-R59 PolarHBondContact O-N 3.27Å; K55-R59 VanDerWaalsContact O-N 3.12Å |
| 56 | Q | 53.7 | Low | 64.2 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 41% | 0.411 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66 | -28.4 | 177.4 | -72.8 | -77 | 31.1 | 0 | 0 | 111.6 | D53 Y58 R59 S60 | D53-Q56 PolarHBondContact O-N 2.85Å; Q56-Y58 PolarHBondContact O-N 2.88Å; Q56-Y58 VanDerWaalsContact O-N 3.13Å; Q56-R59 PolarHBondContact O-N 2.88Å; Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.45Å; Q56-S60 PolarHBondContact O-OG 3.39Å; Q56-S60 PolarHBondContact OE1-OG 2.85Å |
| 57 | I | 52.5 | Low | 61.9 | Low | 116 Ų | 116 | 113 Ų | 113 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.4 | -27.6 | 174.8 | -55.9 | 170.5 | 0 | 0 | 0 | 112.3 | K55 | K55-I57 PolarHBondContact O-N 3.43Å |
| 58 | Y | 46.7 | Very low | 59.5 | Low | 189 Ų | 189 | 116.8 Ų | 116.8 | 74% | 0.741 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -101.1 | -24.9 | -178.7 | -66.2 | -84.4 | 0 | 0 | 0 | 113.7 | K55 Q56 | K55-Y58 PolarHBondContact O-N 3.21Å; K55-Y58 VanDerWaalsContact O-N 3.15Å; Q56-Y58 PolarHBondContact O-N 2.88Å; Q56-Y58 VanDerWaalsContact O-N 3.13Å |
| 59 | R | 48.6 | Very low | 57 | Low | 173 Ų | 173 | 112.7 Ų | 112.7 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -93.6 | -27.6 | 177.3 | -169.7 | -179.2 | -78.7 | -159.1 | -6.1 | 113.3 | K55 Q56 K61 | K55-R59 PolarHBondContact O-N 3.27Å; K55-R59 VanDerWaalsContact O-N 3.12Å; Q56-R59 PolarHBondContact O-N 2.88Å; R59-K61 VanDerWaalsContact C-N 3.29Å; R59-K61 PolarHBondContact O-N 3.45Å |
| 60 | S | 45.3 | Very low | 54.6 | Low | 56 Ų | 56 | 119.5 Ų | 119.5 | 39% | 0.392 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -82.2 | 3.9 | -178.2 | -52.7 | 0 | 0 | 0 | 0 | 114.5 | Q56 S62 I63 | Q56-S60 WeakPolarHBondContact O-CB 3.45Å; Q56-S60 PolarHBondContact O-N 3.45Å; Q56-S60 PolarHBondContact O-OG 3.39Å; Q56-S60 PolarHBondContact OE1-OG 2.85Å; S60-S62 PolarHBondContact O-N 2.91Å; S60-I63 VanDerWaalsContact O-O 3.07Å |
| 61 | K | 46.9 | Very low | 52 | Low | 175 Ų | 175 | 125.1 Ų | 125.1 | 76% | 0.761 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -72 | -6.3 | 175.4 | -70.7 | -171.8 | 179.5 | -175.5 | 0 | 114.3 | R59 | R59-K61 VanDerWaalsContact C-N 3.29Å; R59-K61 PolarHBondContact O-N 3.45Å |
| 62 | S | 47.8 | Very low | 49.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -106.4 | -5.4 | 178.8 | 65 | 0 | 0 | 0 | 0 | 115.2 | S60 | S60-S62 PolarHBondContact O-N 2.91Š|
| 63 | I | 53.5 | Low | 47.5 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 68% | 0.677 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -145 | 127.1 | 177.3 | -66.2 | 177.8 | 0 | 0 | 0 | 107.1 | S60 | S60-I63 VanDerWaalsContact O-O 3.07Š|
| 64 | T | 45.7 | Very low | 46.2 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | 94.5 | 63.5 | -177.2 | -44 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 65 | G | 41.8 | Very low | 45.8 | Very low | 74 Ų | 74 | 136.2 Ų | 136.2 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | trans | -96 | 125.8 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 66 | E | 35.6 | Very low | 44.7 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | trans | 72.5 | 95.4 | 162.8 | -64.8 | -142.8 | 98.8 | 0 | 0 | 120.4 | R68 | E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.39Å; E66-R68 VanDerWaalsContact O-N 3.12Å; E66-R68 IonicContact OE1-CZ 2.82Å; E66-R68 IonicContact OE1-NE 2.92Å; E66-R68 PolarHBondContact OE1-NE 3.37Å; E66-R68 IonicContact OE1-NH2 3.98Å; E66-R68 PolarHBondContact OE1-NH2 3.41Å | ||
| 67 | V | 46.5 | Very low | 44.4 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | trans | -61.9 | 89.8 | 133.9 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 68 | R | 47.6 | Very low | 43.8 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | trans | -163.9 | 109.9 | 160.6 | -140.4 | -172.9 | -57.7 | -110.8 | -1.5 | 113.3 | E66 | E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.39Å; E66-R68 VanDerWaalsContact O-N 3.12Å; E66-R68 IonicContact OE1-CZ 2.82Å; E66-R68 IonicContact OE1-NE 2.92Å; E66-R68 PolarHBondContact OE1-NE 3.37Å; E66-R68 IonicContact OE1-NH2 3.98Å; E66-R68 PolarHBondContact OE1-NH2 3.41Å | ||
| 69 | G | 42.7 | Very low | 44 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | 74.2 | 135.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 70 | L | 44.6 | Very low | 43.8 | Very low | 175 Ų | 175 | 131 Ų | 131 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | -155 | 143.8 | 51.5 | -63.5 | 179.8 | 0 | 0 | 0 | 109.8 | |||||
| 71 | K | 42.1 | Very low | 44.4 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -64.3 | 146.8 | 156.4 | -75.6 | 178.6 | 165.4 | -173.7 | 0 | 108.7 | ||||
| 72 | D | 38.9 | Very low | 44.9 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | 65.1 | 95.7 | 150.1 | -164.6 | 28.5 | 0 | 0 | 0 | 118 | ||||
| 73 | V | 38.4 | Very low | 45.3 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -145.2 | 93 | 140.7 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 74 | V | 38 | Very low | 44.9 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | trans | -6.3 | 128.9 | 137.4 | 166.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 75 | L | 50.4 | Low | 45.4 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | 40.4 | 103.4 | 141 | -170.4 | 107.3 | 0 | 0 | 0 | 118.6 | ||||
| 76 | E | 31 | Very low | 45.9 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -171.9 | 106.7 | 132.9 | -137.3 | -159.6 | 90.6 | 0 | 0 | 108.9 | S78 | E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact O-N 3.1Å | ||
| 77 | N | 49 | Very low | 46.8 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | 18.9 | 69.5 | 102.4 | -168 | 33 | 0 | 0 | 0 | 115.8 | |||||
| 78 | S | 39.1 | Very low | 47.5 | Very low | 90 Ų | 90 | 142 Ų | 142 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | trans | -118.6 | 94 | 154.8 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | E76 S80 | E76-S78 VanDerWaalsContact C-N 3.3Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact O-N 3.1Å; S78-S80 PolarHBondContact O-N 3.06Å | ||
| 79 | S | 51.1 | Low | 47.4 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -45.4 | 106 | 155 | 54.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 80 | S | 43.2 | Very low | 48.2 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -128.3 | 103.1 | 165.6 | 51 | 0 | 0 | 0 | 0 | 108.5 | S78 L82 | S78-S80 PolarHBondContact O-N 3.06Å; S80-L82 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | T | 58.3 | Low | 48.8 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | trans | -44.6 | 102.7 | 166.3 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 82 | L | 58 | Low | 49.6 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | -128.7 | 86.1 | 158.8 | -64.5 | 175.6 | 0 | 0 | 0 | 104.5 | S80 | S80-L82 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact O-N 3.13Å | ||
| 83 | D | 55.4 | Low | 50.7 | Low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | 59.9 | 81 | 82.8 | -143.6 | -56.1 | 0 | 0 | 0 | 109.7 | |||||
| 84 | F | 46 | Very low | 51.8 | Low | 198 Ų | 198 | 136.6 Ų | 136.6 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | 179.6 | 82.5 | 150.7 | -83.2 | -62.4 | 0 | 0 | 0 | 104.8 | D86 | F84-D86 VanDerWaalsContact C-N 3.3Å; F84-D86 PolarHBondContact O-N 3.18Å | ||
| 85 | Q | 55.4 | Low | 52.7 | Low | 178 Ų | 178 | 136.9 Ų | 136.9 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -66.3 | 99.2 | 170.3 | -147.9 | 161.7 | 22.3 | 0 | 0 | 106.2 | E87 | Q85-E87 PolarHBondContact O-N 3.13Å; Q85-E87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | D | 51.9 | Low | 52.9 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 104.5 | 176.9 | -171.3 | 156.1 | 0 | 0 | 0 | 108 | F84 C88 | F84-D86 VanDerWaalsContact C-N 3.3Å; F84-D86 PolarHBondContact O-N 3.18Å; D86-C88 PolarHBondContact O-N 3.19Å; D86-C88 VanDerWaalsContact O-N 3.07Å; D86-C88 WeakPolarHBondContact OD2-CA 3.27Å; D86-C88 WeakPolarHBondContact OD2-CB 3.03Å; D86-C88 PolarHBondContact OD2-N 3.45Å; D86-C88 PolarHBondContact OD2-SG 3.36Å | ||
| 87 | E | 55.9 | Low | 54.1 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -71 | 16 | 172.1 | -65.3 | -71 | 111.2 | 0 | 0 | 112.4 | Q85 S89 | Q85-E87 PolarHBondContact O-N 3.13Å; Q85-E87 VanDerWaalsContact O-N 3.09Å; E87-S89 PolarHBondContact O-N 3.48Å |
| 88 | C | 59.8 | Low | 54.1 | Low | 98 Ų | 98 | 138.7 Ų | 138.7 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -94.1 | 42.3 | 163.2 | -51.6 | 0 | 0 | 0 | 0 | 111 | D86 N90 | D86-C88 PolarHBondContact O-N 3.19Å; D86-C88 VanDerWaalsContact O-N 3.07Å; D86-C88 WeakPolarHBondContact OD2-CA 3.27Å; D86-C88 WeakPolarHBondContact OD2-CB 3.03Å; D86-C88 PolarHBondContact OD2-N 3.45Å; D86-C88 PolarHBondContact OD2-SG 3.36Å; C88-N90 VanDerWaalsContact C-N 3.32Å; C88-N90 PolarHBondContact O-N 3.33Å | ||
| 89 | S | 45.5 | Very low | 54.5 | Low | 81 Ų | 81 | 142.7 Ų | 142.7 | 57% | 0.566 | 76% | 0.759 | S | S | * | * | trans | -62.1 | 91.5 | 173 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | E87 Q91 | E87-S89 PolarHBondContact O-N 3.48Å; S89-Q91 VanDerWaalsContact C-N 3.32Å | ||
| 90 | N | 59.6 | Low | 54.6 | Low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -99.7 | 62.2 | 145.7 | -71.6 | -70.8 | 0 | 0 | 0 | 107.5 | C88 S92 | C88-N90 VanDerWaalsContact C-N 3.32Å; C88-N90 PolarHBondContact O-N 3.33Å; N90-S92 PolarHBondContact O-N 3.48Å | ||
| 91 | Q | 57.6 | Low | 54.6 | Low | 146 Ų | 146 | 145.8 Ų | 145.8 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -74.6 | 73.7 | 163.5 | -79.9 | -169.5 | 64.3 | 0 | 0 | 109.4 | S89 F93 | S89-Q91 VanDerWaalsContact C-N 3.32Å; Q91-F93 VanDerWaalsContact C-N 3.33Å; Q91-F93 HydrophobicContact CB-CD2 4.21Å; Q91-F93 HydrophobicContact CG-CD2 4.15Å; Q91-F93 HydrophobicContact CG-CE2 4.1Å; Q91-F93 PolarHBondContact O-N 3.3Å | ||
| 92 | S | 58.7 | Low | 54 | Low | 107 Ų | 107 | 148 Ų | 148 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -88.7 | 80.6 | 155.9 | 175.1 | 0 | 0 | 0 | 0 | 107 | N90 L94 | N90-S92 PolarHBondContact O-N 3.48Å; S92-L94 PolarHBondContact O-N 3.41Å | ||
| 93 | F | 61.9 | Low | 53.2 | Low | 157 Ų | 157 | 147.7 Ų | 147.7 | 69% | 0.689 | 76% | 0.759 | S | S | * | * | trans | -80.2 | 102.9 | 167 | -90.9 | -87.3 | 0 | 0 | 0 | 108.2 | Q91 S95 | Q91-F93 VanDerWaalsContact C-N 3.33Å; Q91-F93 HydrophobicContact CB-CD2 4.21Å; Q91-F93 HydrophobicContact CG-CD2 4.15Å; Q91-F93 HydrophobicContact CG-CE2 4.1Å; Q91-F93 PolarHBondContact O-N 3.3Å; F93-S95 PolarHBondContact O-N 3.12Å | ||
| 94 | L | 61.8 | Low | 52.2 | Low | 163 Ų | 163 | 146.5 Ų | 146.5 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 33 | 62.4 | 149.7 | -59.5 | 174.7 | 0 | 0 | 0 | 116.3 | S92 | S92-L94 PolarHBondContact O-N 3.41Š| ||
| 95 | S | 57.2 | Low | 52 | Low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -104.3 | 38.1 | 173.3 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | F93 | F93-S95 PolarHBondContact O-N 3.12Š| ||
| 96 | D | 55.6 | Low | 51.3 | Low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -159.5 | 99.1 | 163.9 | -151.4 | -8.9 | 0 | 0 | 0 | 109.5 | ||
| 97 | I | 55.9 | Low | 50.5 | Low | 148 Ų | 148 | 139.9 Ų | 139.9 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 163 | 74.3 | 160.7 | -79.8 | 142.5 | 0 | 0 | 0 | 104 | ||||
| 98 | Y | 48.9 | Very low | 49.6 | Very low | 212 Ų | 212 | 136.6 Ų | 136.6 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -166 | 79 | 148.9 | -90.7 | -68.7 | 0 | 0 | 0 | 107.1 | P100 | Y98-P100 HydrophobicContact CD1-CG 4.2Š| ||
| 99 | Q | 47.5 | Very low | 48.7 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -117.5 | 74.9 | 152.5 | -74.6 | -78.8 | -23 | 0 | 0 | 108.3 | K101 | Q99-K101 PolarHBondContact O-N 3.1Š| ||
| 100 | P | 52.9 | Low | 48.3 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -84.2 | 94.9 | 159.9 | 31.9 | -26.4 | 0 | 0 | 0 | 107.1 | Y98 | Y98-P100 HydrophobicContact CD1-CG 4.2Š| ||
| 101 | K | 42.1 | Very low | 47.2 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -132.7 | 115.8 | 162.9 | -77.1 | -153 | 179.4 | -178.7 | 0 | 112.4 | Q99 | Q99-K101 PolarHBondContact O-N 3.1Š| ||
| 102 | M | 46.8 | Very low | 46.2 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | 69.2 | 99.1 | 150.4 | 75 | -172.7 | 167.7 | 0 | 0 | 118.9 | ||||
| 103 | D | 41 | Very low | 45.3 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -51.4 | 155.4 | 139.9 | -55.3 | -80.4 | 0 | 0 | 0 | 112.2 | ||||
| 104 | S | 35.1 | Very low | 44.1 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 102.3 | 94.3 | 158.5 | -45 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 105 | S | 41.1 | Very low | 43.6 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | 154.6 | 121.8 | 97.6 | -69.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 106 | S | 40.7 | Very low | 42.5 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | 31.6 | 116.1 | 131.4 | -54.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 107 | S | 35.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -159.5 | 101.7 | 137.3 | -93.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 108 | S | 37.3 | Very low | 41.8 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 71.9 | 108.4 | 87.5 | -167.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 109 | S | 39.2 | Very low | 41.2 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 71.2 | 127.4 | 140.7 | -51.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 110 | Q | 36.8 | Very low | 41.4 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 178.4 | 138.7 | 83.5 | -83.2 | 179.9 | -4.2 | 0 | 0 | 112.6 | |||||
| 111 | H | 37.2 | Very low | 40.5 | Very low | 188 Ų | 188 | 132 Ų | 132 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | trans | 89.6 | 136.2 | 144.4 | -109.7 | -99 | 0 | 0 | 0 | 122.3 | ||||
| 112 | A | 36.7 | Very low | 40.4 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | trans | -101.6 | -178.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 113 | S | 40.5 | Very low | 40.3 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 81.4 | 145.2 | 166.4 | -60 | 0 | 0 | 0 | 0 | 116 | ||||
| 114 | E | 36.8 | Very low | 40.2 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | cis | -171.9 | 154.7 | -18.6 | -111.9 | 165 | 116.2 | 0 | 0 | 104.2 | ||||
| 115 | A | 50.8 | Low | 40.5 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 136.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 116 | V | 34.5 | Very low | 40.5 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -176.8 | 134.3 | 144.4 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 117 | S | 34.2 | Very low | 40.3 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -95.2 | -171 | -179.4 | -159.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 118 | P | 62.3 | Low | 41.1 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -119 | -175.1 | -72.9 | 34 | -17 | 0 | 0 | 0 | 111.8 | |||||
| 119 | L | 35.7 | Very low | 41.3 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 153.1 | 169.3 | 134 | -133.2 | 75.2 | 0 | 0 | 0 | 112.9 | ||||
| 120 | P | 51.8 | Low | 41.3 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 62% | 0.623 | 79% | 0.785 | S | S | * | * | -127.8 | 151.1 | -99.4 | 42.9 | -26.4 | 0 | 0 | 0 | 113.6 | |||||
| 121 | H | 33.2 | Very low | 42.1 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | trans | -156 | 104.6 | 157 | 14.3 | -78.6 | 0 | 0 | 0 | 113.2 | ||||
| 122 | T | 41.2 | Very low | 43 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | 63.1 | 138.6 | 136.4 | 62.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 123 | T | 45.1 | Very low | 43.5 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 79.8 | 99 | 171.8 | -3.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 124 | T | 38.7 | Very low | 44.3 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | -163.4 | 129.4 | 55.1 | -65.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 125 | L | 41 | Very low | 45.1 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 135.5 | 172.5 | -68.2 | 166.6 | 0 | 0 | 0 | 109.4 | ||||
| 126 | R | 40.1 | Very low | 45.3 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | S | Bend | cis | -148.9 | 150.5 | -7 | -58.6 | -162.9 | 82.2 | -169.7 | 4.6 | 108.9 | ||
| 127 | T | 37.6 | Very low | 46.4 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 72.8 | 92.3 | 150.5 | -41.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 128 | T | 51.9 | Low | 47 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -103.6 | 117.2 | 144 | -58.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 129 | E | 42.6 | Very low | 46.1 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 165.2 | 90.7 | 145.1 | 62.9 | -161.8 | 130.4 | 0 | 0 | 111 | ||||
| 130 | D | 39.3 | Very low | 46.5 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | 177.9 | 98.7 | 133.9 | -168.7 | 52.9 | 0 | 0 | 0 | 105.5 | Q132 | D130-Q132 PolarHBondContact O-N 3.42Š| ||
| 131 | A | 51.9 | Low | 46.5 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -76 | 76.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 132 | Q | 57.6 | Low | 46.9 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 133.4 | 162.2 | -164.4 | 177.9 | -97.4 | 0 | 0 | 108.4 | D130 | D130-Q132 PolarHBondContact O-N 3.42Š|
| 133 | P | 47 | Very low | 47.2 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 69% | 0.688 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139.3 | 177.1 | 27.2 | -32.7 | 0 | 0 | 0 | 109.6 | M135 | P133-M135 PolarHBondContact O-N 3.15Š|
| 134 | P | 56 | Low | 47.1 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.4 | 176.3 | 25 | -32 | 0 | 0 | 0 | 109.4 | L136 | P134-L136 PolarHBondContact O-N 3.27Š|
| 135 | M | 55.6 | Low | 46.9 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.1 | 172.2 | -71.5 | 177.8 | 58.3 | 0 | 0 | 108.9 | P133 G137 | P133-M135 PolarHBondContact O-N 3.15Å; M135-G137 PolarHBondContact O-N 3.14Å |
| 136 | L | 53.5 | Low | 46.7 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 98% | 0.979 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -60.5 | 104.5 | 169.5 | -170.4 | 108 | 0 | 0 | 0 | 108.7 | P134 | P134-L136 PolarHBondContact O-N 3.27Š|
| 137 | G | 57.8 | Low | 46.8 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 153.9 | 38.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | M135 E139 | M135-G137 PolarHBondContact O-N 3.14Å; G137-E139 PolarHBondContact O-N 3.5Å | ||
| 138 | Q | 46.8 | Very low | 46.9 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -97.7 | 84.6 | 169 | -66.6 | -165.8 | -64.2 | 0 | 0 | 109.9 | S140 | Q138-S140 PolarHBondContact O-N 3.25Š| ||
| 139 | E | 43.1 | Very low | 46.4 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 104.7 | 153.7 | 163.6 | -174.4 | 69.2 | 0 | 0 | 107 | G137 | G137-E139 PolarHBondContact O-N 3.5Š| ||
| 140 | S | 44.7 | Very low | 46.6 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -94.4 | 104.7 | 160.2 | 56 | 0 | 0 | 0 | 0 | 107.2 | Q138 D142 | Q138-S140 PolarHBondContact O-N 3.25Å; S140-D142 PolarHBondContact O-N 3.26Å | ||
| 141 | V | 51.8 | Low | 46.8 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 119 | 167.2 | 110.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 142 | D | 41.3 | Very low | 46.2 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -148 | 103.3 | 155.7 | -152.4 | -108.9 | 0 | 0 | 0 | 108.1 | S140 | S140-D142 PolarHBondContact O-N 3.26Š| ||
| 143 | E | 47.3 | Very low | 46 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -87.6 | 136.8 | 176.9 | 167.9 | 172.8 | 94.3 | 0 | 0 | 109 | ||||
| 144 | P | 43.5 | Very low | 46.4 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | -143.6 | 123.9 | 123.4 | 25.8 | -5.3 | 0 | 0 | 0 | 115.1 | |||||
| 145 | S | 35 | Very low | 46.5 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 56.8 | 102.9 | 135.5 | 55.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 146 | Q | 36.6 | Very low | 46.6 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | 46.3 | 161.4 | 127.4 | -66 | -162.9 | -37.1 | 0 | 0 | 122.4 | |||||
| 147 | P | 41.9 | Very low | 46.4 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | cis | -131.5 | -179.6 | 5.5 | 35 | -13.2 | 0 | 0 | 0 | 115.8 | ||||
| 148 | A | 40.6 | Very low | 46 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -46.8 | 140.6 | -180 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 149 | H | 39.6 | Very low | 46.6 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -131.7 | 105.6 | 147.9 | -170.6 | -84.2 | 0 | 0 | 0 | 108.7 | ||||
| 150 | E | 48.2 | Very low | 47 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -75 | 157.2 | 169.8 | -169 | -179.1 | 95.2 | 0 | 0 | 109.8 | ||||
| 151 | V | 43.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | 98.7 | 124.7 | 162 | -172.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 152 | A | 39.6 | Very low | 47.7 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 87.7 | 102.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120 | E154 | A152-E154 PolarHBondContact O-N 3.18Š| ||
| 153 | D | 53.3 | Low | 48 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -25.3 | 112.7 | 136.4 | -160.9 | -55.8 | 0 | 0 | 0 | 113.7 | ||||
| 154 | E | 55.4 | Low | 47.6 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | -142.4 | 122 | 155.5 | -162.2 | -164.6 | 123.1 | 0 | 0 | 109.7 | A152 T157 | A152-E154 PolarHBondContact O-N 3.18Å; E154-T157 VanDerWaalsContact OE1-CG2 3.31Å; E154-T157 WeakPolarHBondContact OE1-CG2 3.35Å | ||
| 155 | P | 58.4 | Low | 47.6 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 58% | 0.584 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 153.9 | 172.2 | 30.9 | -33.9 | 0 | 0 | 0 | 110.8 | T157 | P155-T157 PolarHBondContact O-N 2.81Š| ||
| 156 | P | 56.1 | Low | 48.2 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -61.3 | 115.2 | -174.4 | 25.1 | -33.5 | 0 | 0 | 0 | 111.3 | L158 | P156-L158 PolarHBondContact O-N 3.07Š| ||
| 157 | T | 50.7 | Low | 48.1 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | trans | -65.7 | 120.9 | 174 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | E154 P155 I159 | E154-T157 VanDerWaalsContact OE1-CG2 3.31Å; E154-T157 WeakPolarHBondContact OE1-CG2 3.35Å; P155-T157 PolarHBondContact O-N 2.81Å; T157-I159 PolarHBondContact O-N 3.49Å; T157-I159 VanDerWaalsContact O-N 3.15Å | ||
| 158 | L | 48.6 | Very low | 47.8 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -55.7 | 112.9 | 168.7 | -69.2 | 169.8 | 0 | 0 | 0 | 109.7 | P156 K160 | P156-L158 PolarHBondContact O-N 3.07Å; L158-K160 PolarHBondContact O-N 2.77Å | ||
| 159 | I | 59.4 | Low | 47.7 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -67 | 116 | 170.7 | 50.7 | 168.6 | 0 | 0 | 0 | 109.2 | T157 E161 | T157-I159 PolarHBondContact O-N 3.49Å; T157-I159 VanDerWaalsContact O-N 3.15Å; I159-E161 PolarHBondContact O-N 2.92Å | ||
| 160 | K | 52.3 | Low | 47.5 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -78.9 | 107.5 | 174.6 | -174.3 | -178.8 | 76.7 | 171.1 | 0 | 108.3 | L158 D162 | L158-K160 PolarHBondContact O-N 2.77Å; K160-D162 PolarHBondContact O-N 3.09Å | ||
| 161 | E | 59 | Low | 47.1 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -74.4 | 101.1 | 163.3 | 58 | -168.1 | 102.5 | 0 | 0 | 109 | I159 | I159-E161 PolarHBondContact O-N 2.92Š| ||
| 162 | D | 50.6 | Low | 46.7 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 65% | 0.647 | 78% | 0.78 | S | S | * | * | trans | -87.9 | 168.2 | 161.6 | -177.5 | 35.4 | 0 | 0 | 0 | 108.5 | K160 | K160-D162 PolarHBondContact O-N 3.09Š| ||
| 163 | L | 48.6 | Very low | 46.6 | Very low | 140 Ų | 140 | 144 Ų | 144 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 97.3 | 88.1 | 174.3 | -45.1 | -175.5 | 0 | 0 | 0 | 115.3 | ||||
| 164 | V | 38.5 | Very low | 45.9 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | 167.6 | 108.3 | 92.8 | 170.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 165 | L | 44.9 | Very low | 44.9 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -97.6 | 142.9 | 159.3 | -71.1 | 171.5 | 0 | 0 | 0 | 109.1 | ||||
| 166 | P | 46.7 | Very low | 43.5 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -96.5 | 115.8 | 151.7 | -2.4 | 21.9 | 0 | 0 | 0 | 110.5 | ||||
| 167 | L | 35.3 | Very low | 42.5 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -28.6 | 131 | 159.5 | -170.3 | 71.5 | 0 | 0 | 0 | 115.5 | V169 | L167-V169 HydrophobicContact CD1-CG2 3.96Å; L167-V169 HydrophobicContact CG-CG2 4.35Å | ||
| 168 | G | 35.8 | Very low | 41.8 | Very low | 78 Ų | 78 | 148.2 Ų | 148.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -154.3 | 75.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 169 | V | 37.1 | Very low | 41.3 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -55.7 | 129.2 | 177.2 | 168 | 0 | 0 | 0 | 0 | 112.4 | L167 | L167-V169 HydrophobicContact CD1-CG2 3.96Å; L167-V169 HydrophobicContact CG-CG2 4.35Å | ||
| 170 | R | 35.7 | Very low | 40.5 | Very low | 219 Ų | 219 | 150 Ų | 150 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | -164.1 | 111.5 | 120.8 | -148 | 174.8 | -174.2 | -161.9 | 3.8 | 113.3 | |||||
| 171 | V | 40.4 | Very low | 39.8 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 133.2 | 161.1 | 168.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 172 | K | 34 | Very low | 39.4 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -163.5 | 104.4 | 141 | -124.8 | 177.6 | -179.6 | -175.1 | 0 | 111.5 | ||||
| 173 | T | 37.2 | Very low | 38.8 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -84.9 | 151.3 | 147.2 | -24.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 174 | P | 38.5 | Very low | 38.8 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -138.5 | 157.3 | 89.1 | 29.9 | -11.3 | 0 | 0 | 0 | 114.3 | |||||
| 175 | C | 34.3 | Very low | 39.5 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -58.5 | 144.1 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 176 | T | 29.2 | Very low | 40 | Very low | 123 Ų | 123 | 134 Ų | 134 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -164.4 | 110.2 | 142 | -62.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 177 | E | 36 | Very low | 40.4 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 39.3 | 136 | 130.4 | -42.6 | -175.8 | 144.3 | 0 | 0 | 121.1 | ||||
| 178 | E | 36.2 | Very low | 41.8 | Very low | 188 Ų | 188 | 137.9 Ų | 137.9 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | 106.2 | 138.3 | 148.2 | -45.6 | -143 | 128 | 0 | 0 | 119.8 | ||||
| 179 | E | 38.3 | Very low | 43 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 91 | 92.7 | 157.9 | -130 | -177.8 | 120.4 | 0 | 0 | 120.5 | ||||
| 180 | E | 43 | Very low | 43.6 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | 2.8 | 118.6 | 128.4 | -160.4 | 177.3 | 137.3 | 0 | 0 | 117 | |||||
| 181 | G | 37.3 | Very low | 43.9 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 172.8 | 90.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G183 | G181-G183 PolarHBondContact O-N 3.13Š| ||
| 182 | S | 49.2 | Very low | 44.1 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -2.8 | 106 | 157.7 | -168.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 183 | G | 38.6 | Very low | 44.7 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -111.5 | 62.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G181 | G181-G183 PolarHBondContact O-N 3.13Š| ||
| 184 | A | 48.6 | Very low | 45.2 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 136.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 185 | P | 52.3 | Low | 45.5 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 142.2 | -178.6 | 28.5 | -33 | 0 | 0 | 0 | 111.4 | L187 | P185-L187 PolarHBondContact O-N 3.5Š|
| 186 | P | 57.1 | Low | 46.3 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 127.3 | -174.2 | 26.1 | -33 | 0 | 0 | 0 | 112.2 | ||
| 187 | L | 55.2 | Low | 47.1 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.5 | 173.4 | -68.9 | 168.6 | 0 | 0 | 0 | 110.9 | P185 | P185-L187 PolarHBondContact O-N 3.5Š|
| 188 | K | 63.5 | Low | 47.9 | Very low | 198 Ų | 198 | 146 Ų | 146 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 131.5 | -173.1 | -46.6 | -167.9 | -177.4 | -170.5 | 0 | 110.2 | V190 | K188-V190 PolarHBondContact O-N 3.01Š|
| 189 | K | 60.5 | Low | 48.4 | Very low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.6 | 180 | -50.2 | -75 | -172.1 | 175.4 | 0 | 109.3 | ||
| 190 | V | 51.3 | Low | 48.9 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 80% | 0.8 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 122.2 | 166.5 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | K188 T192 | K188-V190 PolarHBondContact O-N 3.01Å; V190-T192 PolarHBondContact O-N 2.84Å |
| 191 | C | 41.1 | Very low | 49.2 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | trans | -78.5 | 110.8 | 173.5 | -165 | 0 | 0 | 0 | 0 | 108.6 | E193 | C191-E193 PolarHBondContact O-N 2.94Š| ||
| 192 | T | 44 | Very low | 49.9 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | trans | -76.7 | 100.6 | 173 | -19.9 | 0 | 0 | 0 | 0 | 108.7 | V190 K194 | V190-T192 PolarHBondContact O-N 2.84Å; T192-K194 PolarHBondContact O-N 3.1Å | ||
| 193 | E | 47.1 | Very low | 49.9 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 85% | 0.85 | 83% | 0.833 | S | S | * | * | trans | -68 | 121 | 172.3 | -178.6 | 162.2 | 32.5 | 0 | 0 | 110.1 | C191 K195 | C191-E193 PolarHBondContact O-N 2.94Å; E193-K195 PolarHBondContact O-N 3.42Å | ||
| 194 | K | 49.1 | Very low | 50.6 | Low | 199 Ų | 199 | 158.6 Ų | 158.6 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | trans | -89.4 | 101.9 | -178.8 | -47.3 | 175.6 | -169.2 | 170.5 | 0 | 107.7 | T192 A196 | T192-K194 PolarHBondContact O-N 3.1Å; K194-A196 PolarHBondContact O-N 3.36Å; K194-A196 VanDerWaalsContact O-N 3.14Å | ||
| 195 | K | 44.3 | Very low | 50.7 | Low | 201 Ų | 201 | 163.7 Ų | 163.7 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -69.5 | 104.6 | 174.1 | -167.6 | 178.2 | -176.8 | 177.1 | 0 | 109.7 | E193 V197 | E193-K195 PolarHBondContact O-N 3.42Å; K195-V197 PolarHBondContact O-N 3.02Å | ||
| 196 | A | 49.8 | Very low | 50.6 | Low | 86 Ų | 86 | 167.2 Ų | 167.2 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | trans | -75.1 | 119.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | K194 L198 | K194-A196 PolarHBondContact O-N 3.36Å; K194-A196 VanDerWaalsContact O-N 3.14Å; A196-L198 PolarHBondContact O-N 3.37Å | ||
| 197 | V | 47.3 | Very low | 50.1 | Low | 129 Ų | 129 | 170.5 Ų | 170.5 | 78% | 0.782 | 85% | 0.854 | S | S | * | * | trans | -77.6 | 112.1 | 168 | 166.5 | 0 | 0 | 0 | 0 | 107.5 | K195 | K195-V197 PolarHBondContact O-N 3.02Š| ||
| 198 | L | 51.3 | Low | 49.7 | Very low | 161 Ų | 161 | 170.8 Ų | 170.8 | 84% | 0.843 | 85% | 0.853 | S | S | * | * | trans | -81.8 | 129.6 | 159.9 | -100.6 | 86 | 0 | 0 | 0 | 108.6 | A196 | A196-L198 PolarHBondContact O-N 3.37Š| ||
| 199 | R | 47.2 | Very low | 48.4 | Very low | 312 Ų | 312 | 168.3 Ų | 168.3 | 100% | 1.177 | 85% | 0.852 | S | S | * | * | trans | -80.8 | 0 | 161.9 | -85.5 | -170.9 | 178.9 | 109.7 | -2.1 | 109.9 |
Retrieved 199 of 199 residues in 25.3 ms
(Link to these results)