| 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 | 51.3 | Low | 61.5 | Low | 233 Ų | 233 | 171.2 Ų | 171.2 | 100% | 1.148 | 80% | 0.795 | S | S | * | * | 0 | 113.1 | 0 | -162.4 | 168.9 | -170 | 0 | 0 | 106.9 | K3 | M1-K3 PolarHBondContact O-N 3.38Š| |||
| 2 | P | 64.4 | Low | 62.8 | Low | 113 Ų | 113 | 168.5 Ų | 168.5 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -65.2 | 128.7 | -176.8 | -16.8 | 30.2 | 0 | 0 | 0 | 109.9 | Y4 | P2-Y4 PolarHBondContact O-N 3.15Å; P2-Y4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | K | 49.9 | Very low | 64.3 | Low | 191 Ų | 191 | 168.7 Ų | 168.7 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -64.9 | 110.1 | 172.5 | -89.9 | -169.3 | 169.4 | -178.5 | 0 | 108.3 | M1 Y5 | M1-K3 PolarHBondContact O-N 3.38Å; K3-Y5 PolarHBondContact O-N 3.25Å | ||
| 4 | Y | 55.7 | Low | 65.5 | Low | 221 Ų | 221 | 160.8 Ų | 160.8 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -64.9 | 114.7 | 163.3 | -86.7 | -100.4 | 0 | 0 | 0 | 107.4 | P2 | P2-Y4 PolarHBondContact O-N 3.15Å; P2-Y4 VanDerWaalsContact O-N 3.15Å | ||
| 5 | Y | 69.8 | Low | 67.1 | Low | 205 Ų | 205 | 151.3 Ų | 151.3 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | -92 | 106 | -180 | -130.5 | -84.6 | 0 | 0 | 0 | 107.4 | K3 | K3-Y5 PolarHBondContact O-N 3.25Š| ||
| 6 | E | 64.6 | Low | 68.5 | Low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | trans | -136.3 | 38.7 | 170.6 | -75.1 | -156.6 | 117.7 | 0 | 0 | 112.5 | K8 | E6-K8 VanDerWaalsContact C-N 3.33Å; E6-K8 PolarHBondContact O-N 3.26Å | ||
| 7 | D | 59.3 | Low | 69.7 | Low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -96.2 | 66.9 | 159 | -67.3 | -64.2 | 0 | 0 | 0 | 108.6 | E9 | D7-E9 VanDerWaalsContact C-N 3.29Å; D7-E9 PolarHBondContact O-N 3.14Å | ||
| 8 | K | 61.2 | Low | 70.9 | Confident | 195 Ų | 195 | 132.4 Ų | 132.4 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | trans | -77.6 | 95.6 | 151.9 | -82.4 | -173 | 179.9 | 175.2 | 0 | 104.6 | E6 E10 | E6-K8 VanDerWaalsContact C-N 3.33Å; E6-K8 PolarHBondContact O-N 3.26Å; K8-E10 VanDerWaalsContact C-N 3.3Å; K8-E10 PolarHBondContact O-N 3.47Å | ||
| 9 | E | 65.6 | Low | 72 | Confident | 184 Ų | 184 | 128.7 Ų | 128.7 | 86% | 0.86 | 63% | 0.63 | S | S | * | * | trans | -54.6 | 101.4 | 168.5 | -75.7 | -175.1 | 132 | 0 | 0 | 107.5 | D7 D11 | D7-E9 VanDerWaalsContact C-N 3.29Å; D7-E9 PolarHBondContact O-N 3.14Å; E9-D11 PolarHBondContact O-N 3.28Å; E9-D11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | E | 65.6 | Low | 73 | Confident | 170 Ų | 170 | 127 Ų | 127 | 79% | 0.794 | 62% | 0.621 | S | S | * | * | trans | -63.4 | 115.4 | 173.7 | -65.3 | -169.5 | 150.7 | 0 | 0 | 106.7 | K8 T12 | K8-E10 VanDerWaalsContact C-N 3.3Å; K8-E10 PolarHBondContact O-N 3.47Å; E10-T12 WeakPolarHBondContact O-CG2 3.3Å; E10-T12 PolarHBondContact O-N 2.91Å | ||
| 11 | D | 69.4 | Low | 74 | Confident | 51 Ų | 51 | 125.5 Ų | 125.5 | 27% | 0.273 | 62% | 0.616 | S | S | . | * | trans | -63.6 | 103.2 | 179.9 | -157.9 | -24.9 | 0 | 0 | 0 | 106.7 | E9 R13 A16 R19 | E9-D11 PolarHBondContact O-N 3.28Å; E9-D11 VanDerWaalsContact O-N 3.1Å; D11-R13 PolarHBondContact O-N 2.73Å; D11-R13 WeakPolarHBondContact OD1-CB 3.49Å; D11-R13 VanDerWaalsContact OD1-CD 3.25Å; D11-R13 WeakPolarHBondContact OD1-CD 2.95Å; D11-R13 VanDerWaalsContact OD1-CG 3.25Å; D11-R13 WeakPolarHBondContact OD1-CG 3.36Å; D11-R13 IonicContact OD1-NE 3.88Å; D11-A16 HydrophobicContact CB-CB 3.91Å; D11-A16 WeakPolarHBondContact O-CB 3.33Å; D11-R19 IonicContact OD1-NH1 3.12Å; D11-R19 PolarHBondContact OD1-NH1 3.46Å; D11-R19 VanDerWaalsContact OD1-NH1 3.12Å; D11-R19 IonicContact OD2-CZ 3.85Å; D11-R19 IonicContact OD2-NH1 2.73Å; D11-R19 PolarHBondContact OD2-NH1 3.27Å | ||
| 12 | T | 77.1 | Confident | 76 | Confident | 139 Ų | 139 | 115.7 Ų | 115.7 | 85% | 0.853 | 57% | 0.567 | S | S | * | * | trans | -77.8 | -2 | -176.1 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | E10 | E10-T12 WeakPolarHBondContact O-CG2 3.3Å; E10-T12 PolarHBondContact O-N 2.91Å | ||
| 13 | R | 82.3 | Confident | 77.3 | Confident | 171 Ų | 171 | 115.8 Ų | 115.8 | 65% | 0.645 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -67.5 | 142.7 | 179 | -62.6 | 174.9 | -176.7 | 163.3 | 1.7 | 109.3 | D11 A16 | D11-R13 PolarHBondContact O-N 2.73Å; D11-R13 WeakPolarHBondContact OD1-CB 3.49Å; D11-R13 VanDerWaalsContact OD1-CD 3.25Å; D11-R13 WeakPolarHBondContact OD1-CD 2.95Å; D11-R13 VanDerWaalsContact OD1-CG 3.25Å; D11-R13 WeakPolarHBondContact OD1-CG 3.36Å; D11-R13 IonicContact OD1-NE 3.88Å; R13-A16 WeakPolarHBondContact O-CB 3.44Å; R13-A16 PolarHBondContact O-N 2.93Å |
| 14 | A | 81.6 | Confident | 79.4 | Confident | 58 Ų | 58 | 108.5 Ų | 108.5 | 48% | 0.479 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 146.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A16 M62 | A14-A16 VanDerWaalsContact C-N 3.27Å; A14-A16 PolarHBondContact O-N 2.95Å; A14-M62 HydrophobicContact CB-CE 4.21Å; A14-M62 HydrophobicContact CB-CG 4.48Å; A14-M62 HydrophobicContact CB-SD 3.07Å; A14-M62 WeakPolarHBondContact CB-SD 3.31Å |
| 15 | C | 89.2 | Confident | 81.3 | Confident | 18 Ų | 18 | 99.7 Ų | 99.7 | 12% | 0.122 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 19.7 | -167 | -41 | 0 | 0 | 0 | 0 | 115.4 | G17 I18 R19 F55 C58 M62 | C15-G17 PolarHBondContact O-N 3.32Å; C15-I18 PolarHBondContact O-N 2.98Å; C15-R19 PolarHBondContact O-N 2.03Å; C15-F55 HydrophobicContact CB-CE2 4.48Å; C15-C58 HydrophobicContact CB-CB 3.82Å; C15-C58 WeakPolarHBondContact CB-SG 3.48Å; C15-C58 WeakPolarHBondContact SG-CB 3.29Å; C15-C58 CovalentContact SG-SG 2Å; C15-C58 PolarHBondContact SG-SG 3.48Å; C15-M62 WeakPolarHBondContact SG-CE 3.5Å |
| 16 | A | 89.2 | Confident | 82.4 | Confident | 17 Ų | 17 | 90.7 Ų | 90.7 | 14% | 0.14 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -58.2 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | D11 R13 A14 I18 R19 E20 | D11-A16 HydrophobicContact CB-CB 3.91Å; D11-A16 WeakPolarHBondContact O-CB 3.33Å; R13-A16 WeakPolarHBondContact O-CB 3.44Å; R13-A16 PolarHBondContact O-N 2.93Å; A14-A16 VanDerWaalsContact C-N 3.27Å; A14-A16 PolarHBondContact O-N 2.95Å; A16-I18 PolarHBondContact O-N 3.07Å; A16-R19 WeakPolarHBondContact O-CA 3.25Å; A16-R19 WeakPolarHBondContact O-CB 3.01Å; A16-R19 PolarHBondContact O-N 2.77Å; A16-R19 VanDerWaalsContact O-N 3.08Å; A16-E20 PolarHBondContact O-N 3.04Å |
| 17 | G | 89.9 | Confident | 83.8 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57 | -49.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | C15 R19 E20 D21 | C15-G17 PolarHBondContact O-N 3.32Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.49Å; G17-E20 PolarHBondContact O-N 2.69Å; G17-D21 PolarHBondContact O-N 3.45Å |
| 18 | I | 91.1 | Very high | 85.5 | Confident | 49 Ų | 49 | 86.8 Ų | 86.8 | 25% | 0.251 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 176.9 | -58 | 174.3 | 0 | 0 | 0 | 111.2 | C15 A16 F22 F55 C58 | C15-I18 PolarHBondContact O-N 2.98Å; A16-I18 PolarHBondContact O-N 3.07Å; I18-F22 WeakPolarHBondContact O-CB 3.4Å; I18-F22 PolarHBondContact O-N 3.43Å; I18-F55 HydrophobicContact CG2-CB 3.89Å; I18-F55 HydrophobicContact CG2-CD2 4.3Å; I18-C58 HydrophobicContact CD1-CB 3.83Å |
| 19 | R | 90.6 | Very high | 87.1 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 23% | 0.234 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 175.8 | -174.2 | -177.6 | -63.5 | 139.3 | 12.6 | 111.4 | D11 C15 A16 G17 F22 K23 F55 | D11-R19 IonicContact OD1-NH1 3.12Å; D11-R19 PolarHBondContact OD1-NH1 3.46Å; D11-R19 VanDerWaalsContact OD1-NH1 3.12Å; D11-R19 IonicContact OD2-CZ 3.85Å; D11-R19 IonicContact OD2-NH1 2.73Å; D11-R19 PolarHBondContact OD2-NH1 3.27Å; C15-R19 PolarHBondContact O-N 2.03Å; A16-R19 WeakPolarHBondContact O-CA 3.25Å; A16-R19 WeakPolarHBondContact O-CB 3.01Å; A16-R19 PolarHBondContact O-N 2.77Å; A16-R19 VanDerWaalsContact O-N 3.08Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.49Å; R19-F22 PolarHBondContact O-N 3.05Å; R19-K23 WeakPolarHBondContact O-CB 3Å; R19-K23 PolarHBondContact O-N 3.41Å; R19-F55 HydrophobicContact CB-CD2 4.37Å; R19-F55 HydrophobicContact CB-CE2 3.91Å; R19-F55 HydrophobicContact CG-CE2 4.25Å |
| 20 | E | 92.8 | Very high | 88.5 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 178.6 | -70.3 | -54.3 | 115.1 | 0 | 0 | 111.1 | A16 G17 F22 K23 A24 | A16-E20 PolarHBondContact O-N 3.04Å; G17-E20 PolarHBondContact O-N 2.69Å; E20-F22 VanDerWaalsContact C-N 3.31Å; E20-F22 PolarHBondContact O-N 3.07Å; E20-K23 PolarHBondContact O-N 2.84Å; E20-A24 WeakPolarHBondContact O-CB 3.42Å; E20-A24 PolarHBondContact O-N 3.5Å |
| 21 | D | 93.1 | Very high | 89.9 | Confident | 97 Ų | 97 | 67 Ų | 67 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 175.3 | -68.2 | -28.1 | 0 | 0 | 0 | 111.6 | G17 A24 C25 L51 | G17-D21 PolarHBondContact O-N 3.45Å; D21-A24 PolarHBondContact O-N 2.72Å; D21-C25 WeakPolarHBondContact O-CB 3.07Å; D21-C25 PolarHBondContact O-N 2.81Å; D21-L51 HydrophobicContact CB-CD1 4.42Å; D21-L51 HydrophobicContact CB-CD2 4.1Å |
| 22 | F | 93.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 66 Ų | 66 | 11% | 0.114 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.3 | -174.9 | -134.6 | 0 | 0 | 0 | 112.4 | I18 R19 E20 C25 L26 L43 C48 L51 Q52 | I18-F22 WeakPolarHBondContact O-CB 3.4Å; I18-F22 PolarHBondContact O-N 3.43Å; R19-F22 PolarHBondContact O-N 3.05Å; E20-F22 VanDerWaalsContact C-N 3.31Å; E20-F22 PolarHBondContact O-N 3.07Å; F22-C25 PolarHBondContact O-N 3.1Å; F22-L26 HydrophobicContact CE1-CD1 4.32Å; F22-L26 HydrophobicContact CE2-CD1 4.28Å; F22-L26 HydrophobicContact CE2-CG 4.44Å; F22-L26 HydrophobicContact CZ-CD1 4.09Å; F22-L26 PolarHBondContact O-N 2.94Å; F22-L26 VanDerWaalsContact O-N 3.12Å; F22-L43 HydrophobicContact CE1-CD1 4.04Å; F22-L43 HydrophobicContact CZ-CD1 3.48Å; F22-L43 VanDerWaalsContact CZ-CD1 3.48Å; F22-C48 HydrophobicContact CD2-CB 4.03Å; F22-C48 HydrophobicContact CE2-CB 3.78Å; F22-L51 HydrophobicContact CB-CB 4.21Å; F22-L51 HydrophobicContact CD2-CB 3.62Å; F22-L51 HydrophobicContact CE2-CB 4.43Å; F22-L51 HydrophobicContact CG-CB 4.31Å; F22-Q52 HydrophobicContact CE2-CB 3.67Å; F22-Q52 HydrophobicContact CE2-CG 4.42Å; F22-Q52 HydrophobicContact CZ-CB 3.69Å; F22-Q52 HydrophobicContact CZ-CG 3.93Å |
| 23 | K | 92.1 | Very high | 92 | Very high | 116 Ų | 116 | 64 Ų | 64 | 50% | 0.504 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 175.2 | -177.1 | -178.4 | 175.3 | -170.4 | 0 | 111.2 | R19 E20 C25 L26 L27 | R19-K23 WeakPolarHBondContact O-CB 3Å; R19-K23 PolarHBondContact O-N 3.41Å; E20-K23 PolarHBondContact O-N 2.84Å; K23-C25 VanDerWaalsContact C-N 3.32Å; K23-C25 PolarHBondContact O-N 3.28Å; K23-L26 PolarHBondContact O-N 3.36Å; K23-L27 HydrophobicContact CG-CD1 3.91Å; K23-L27 WeakPolarHBondContact O-CB 3.4Å; K23-L27 VanDerWaalsContact O-CG 3.31Å; K23-L27 WeakPolarHBondContact O-CG 3.38Å; K23-L27 PolarHBondContact O-N 3.44Å |
| 24 | A | 93.8 | Very high | 92.6 | Very high | 38 Ų | 38 | 63 Ų | 63 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E20 D21 L26 L27 Q28 | E20-A24 WeakPolarHBondContact O-CB 3.42Å; E20-A24 PolarHBondContact O-N 3.5Å; D21-A24 PolarHBondContact O-N 2.72Å; A24-L26 PolarHBondContact O-N 3.03Å; A24-L27 PolarHBondContact O-N 3.47Å; A24-Q28 WeakPolarHBondContact O-CB 3.46Å; A24-Q28 WeakPolarHBondContact O-CG 3.42Å; A24-Q28 PolarHBondContact O-N 3.29Å |
| 25 | C | 95.5 | Very high | 93.2 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 24% | 0.243 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.3 | -52.6 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | D21 F22 K23 L27 Q28 H29 C48 L51 | D21-C25 WeakPolarHBondContact O-CB 3.07Å; D21-C25 PolarHBondContact O-N 2.81Å; F22-C25 PolarHBondContact O-N 3.1Å; K23-C25 VanDerWaalsContact C-N 3.32Å; K23-C25 PolarHBondContact O-N 3.28Å; C25-L27 PolarHBondContact O-N 3.36Å; C25-Q28 PolarHBondContact O-N 3.12Å; C25-H29 VanDerWaalsContact O-CB 3.26Å; C25-H29 WeakPolarHBondContact O-CB 3.35Å; C25-H29 PolarHBondContact O-N 3.45Å; C25-C48 HydrophobicContact CB-CB 3.93Å; C25-C48 WeakPolarHBondContact CB-SG 3.48Å; C25-C48 WeakPolarHBondContact SG-CB 3.39Å; C25-C48 CovalentContact SG-SG 2.04Å; C25-C48 PolarHBondContact SG-SG 3.33Å; C25-L51 HydrophobicContact CB-CD1 3.56Å |
| 26 | L | 93.8 | Very high | 93.4 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | -179.3 | -76.4 | 171.1 | 0 | 0 | 0 | 112.7 | F22 K23 A24 Q28 H29 V32 C42 L43 H47 C48 | F22-L26 HydrophobicContact CE1-CD1 4.32Å; F22-L26 HydrophobicContact CE2-CD1 4.28Å; F22-L26 HydrophobicContact CE2-CG 4.44Å; F22-L26 HydrophobicContact CZ-CD1 4.09Å; F22-L26 PolarHBondContact O-N 2.94Å; F22-L26 VanDerWaalsContact O-N 3.12Å; K23-L26 PolarHBondContact O-N 3.36Å; A24-L26 PolarHBondContact O-N 3.03Å; L26-Q28 VanDerWaalsContact C-N 3.31Å; L26-Q28 PolarHBondContact O-N 3.47Å; L26-H29 PolarHBondContact O-N 2.88Å; L26-V32 WeakPolarHBondContact O-CB 3.07Å; L26-V32 WeakPolarHBondContact O-CG2 3.45Å; L26-C42 HydrophobicContact CD2-CB 4.09Å; L26-L43 HydrophobicContact CD1-CD1 4.49Å; L26-H47 HydrophobicContact CD2-CB 4.34Å; L26-C48 HydrophobicContact CD2-CB 4.46Å |
| 27 | L | 93.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 69.7 Ų | 69.7 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.4 | -29.8 | -178.4 | -70.3 | 173.1 | 0 | 0 | 0 | 113.2 | K23 A24 C25 V33 P39 | K23-L27 HydrophobicContact CG-CD1 3.91Å; K23-L27 WeakPolarHBondContact O-CB 3.4Å; K23-L27 VanDerWaalsContact O-CG 3.31Å; K23-L27 WeakPolarHBondContact O-CG 3.38Å; K23-L27 PolarHBondContact O-N 3.44Å; A24-L27 PolarHBondContact O-N 3.47Å; C25-L27 PolarHBondContact O-N 3.36Å; L27-V33 VanDerWaalsContact O-CG2 3.29Å; L27-V33 WeakPolarHBondContact O-CG2 3.43Å; L27-P39 HydrophobicContact CD2-CG 4.17Å |
| 28 | Q | 94.5 | Very high | 93.8 | Very high | 150 Ų | 150 | 73.1 Ų | 73.1 | 70% | 0.701 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -94.2 | -12.2 | 178.6 | -65 | 177.4 | 0.7 | 0 | 0 | 112.9 | A24 C25 L26 | A24-Q28 WeakPolarHBondContact O-CB 3.46Å; A24-Q28 WeakPolarHBondContact O-CG 3.42Å; A24-Q28 PolarHBondContact O-N 3.29Å; C25-Q28 PolarHBondContact O-N 3.12Å; L26-Q28 VanDerWaalsContact C-N 3.31Å; L26-Q28 PolarHBondContact O-N 3.47Å |
| 29 | H | 95 | Very high | 93.9 | Very high | 61 Ų | 61 | 73 Ų | 73 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -67.6 | 149.1 | -178.8 | -158.2 | -97.4 | 0 | 0 | 0 | 111.4 | C25 L26 C31 V32 V33 H47 | C25-H29 VanDerWaalsContact O-CB 3.26Å; C25-H29 WeakPolarHBondContact O-CB 3.35Å; C25-H29 PolarHBondContact O-N 3.45Å; L26-H29 PolarHBondContact O-N 2.88Å; H29-C31 PolarHBondContact ND1-N 2.88Å; H29-C31 PolarHBondContact O-N 2.99Å; H29-C31 VanDerWaalsContact O-N 3.07Å; H29-V32 PolarHBondContact O-N 3.41Å; H29-V33 PolarHBondContact O-N 3.36Å; H29-H47 AromaticContact CE1-CE1 3.82Å; H29-H47 AromaticContact CE1-CG 3.73Å; H29-H47 AromaticContact CE1-ND1 3.03Å; H29-H47 PolarHBondContact CE1-ND1 3.14Å; H29-H47 AromaticContact ND1-CG 3.69Å; H29-H47 AromaticContact ND1-ND1 3.42Å; H29-H47 PolarHBondContact ND1-ND1 2.92Å; H29-H47 AromaticContact NE2-ND1 3.94Å |
| 30 | D | 95.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 73.6 Ų | 73.6 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -53.6 | -32.8 | 179.3 | -74.6 | -11.5 | 0 | 0 | 0 | 113.6 | V32 V33 K34 E35 | D30-V32 VanDerWaalsContact C-N 3.28Å; D30-V32 PolarHBondContact O-N 2.85Å; D30-V33 PolarHBondContact O-N 2.97Å; D30-K34 HydrophobicContact CB-CB 4.46Å; D30-K34 HydrophobicContact CB-CD 3.86Å; D30-K34 HydrophobicContact CB-CG 4.19Å; D30-K34 VanDerWaalsContact CG-CD 3.49Å; D30-K34 VanDerWaalsContact CG-CE 3.41Å; D30-K34 WeakPolarHBondContact O-CA 3.48Å; D30-K34 VanDerWaalsContact O-CB 3.25Å; D30-K34 WeakPolarHBondContact O-CB 3.47Å; D30-K34 PolarHBondContact O-N 3.03Å; D30-K34 WeakPolarHBondContact OD1-CD 3.36Å; D30-K34 WeakPolarHBondContact OD1-CE 3.25Å; D30-K34 IonicContact OD1-NZ 2.93Å; D30-K34 PolarHBondContact OD1-NZ 3.42Å; D30-K34 IonicContact OD2-NZ 2.73Å; D30-K34 PolarHBondContact OD2-NZ 3.23Å; D30-E35 PolarHBondContact O-N 3.38Å |
| 31 | C | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.2 | -36.2 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | H29 E35 G36 K37 C42 H47 | H29-C31 PolarHBondContact ND1-N 2.88Å; H29-C31 PolarHBondContact O-N 2.99Å; H29-C31 VanDerWaalsContact O-N 3.07Å; C31-E35 WeakPolarHBondContact O-CB 3.25Å; C31-G36 PolarHBondContact O-N 3.42Å; C31-K37 WeakPolarHBondContact O-CB 3.37Å; C31-K37 PolarHBondContact O-N 3.01Å; C31-K37 VanDerWaalsContact O-N 3.14Å; C31-C42 HydrophobicContact CB-CB 3.8Å; C31-C42 WeakPolarHBondContact CB-SG 3.07Å; C31-C42 WeakPolarHBondContact SG-CA 3.36Å; C31-C42 WeakPolarHBondContact SG-CB 3.26Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 3.39Å; C31-H47 VanDerWaalsContact SG-CD2 3.57Å |
| 32 | V | 95.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -88.9 | -44.6 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L26 H29 D30 G36 P39 C42 | L26-V32 WeakPolarHBondContact O-CB 3.07Å; L26-V32 WeakPolarHBondContact O-CG2 3.45Å; H29-V32 PolarHBondContact O-N 3.41Å; D30-V32 VanDerWaalsContact C-N 3.28Å; D30-V32 PolarHBondContact O-N 2.85Å; V32-G36 VanDerWaalsContact O-CA 3.3Å; V32-G36 WeakPolarHBondContact O-CA 3.32Å; V32-G36 PolarHBondContact O-N 3.44Å; V32-P39 HydrophobicContact CG2-CB 4.34Å; V32-P39 HydrophobicContact CG2-CG 4Å; V32-C42 HydrophobicContact CG2-CB 4.43Å; V32-C42 VanDerWaalsContact CG2-SG 3.57Å |
| 33 | V | 95.4 | Very high | 93.8 | Very high | 98 Ų | 98 | 70.6 Ų | 70.6 | 59% | 0.594 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -78 | -42.7 | -171.4 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | L27 H29 D30 | L27-V33 VanDerWaalsContact O-CG2 3.29Å; L27-V33 WeakPolarHBondContact O-CG2 3.43Å; H29-V33 PolarHBondContact O-N 3.36Å; D30-V33 PolarHBondContact O-N 2.97Å |
| 34 | K | 94.8 | Very high | 93.8 | Very high | 150 Ų | 150 | 73.9 Ų | 73.9 | 65% | 0.652 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -43.9 | -175.8 | -59.6 | -177.5 | -178.7 | 158.6 | 0 | 112.1 | D30 | D30-K34 HydrophobicContact CB-CB 4.46Å; D30-K34 HydrophobicContact CB-CD 3.86Å; D30-K34 HydrophobicContact CB-CG 4.19Å; D30-K34 VanDerWaalsContact CG-CD 3.49Å; D30-K34 VanDerWaalsContact CG-CE 3.41Å; D30-K34 WeakPolarHBondContact O-CA 3.48Å; D30-K34 VanDerWaalsContact O-CB 3.25Å; D30-K34 WeakPolarHBondContact O-CB 3.47Å; D30-K34 PolarHBondContact O-N 3.03Å; D30-K34 WeakPolarHBondContact OD1-CD 3.36Å; D30-K34 WeakPolarHBondContact OD1-CE 3.25Å; D30-K34 IonicContact OD1-NZ 2.93Å; D30-K34 PolarHBondContact OD1-NZ 3.42Å; D30-K34 IonicContact OD2-NZ 2.73Å; D30-K34 PolarHBondContact OD2-NZ 3.23Å |
| 35 | E | 93.4 | Very high | 93.7 | Very high | 106 Ų | 106 | 76.8 Ų | 76.8 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -87 | -15.5 | -177.9 | -55.5 | 178.9 | -145 | 0 | 0 | 112.8 | D30 C31 K37 | D30-E35 PolarHBondContact O-N 3.38Å; C31-E35 WeakPolarHBondContact O-CB 3.25Å; E35-K37 HydrophobicContact CB-CD 4.29Å; E35-K37 HydrophobicContact CB-CG 4.15Å; E35-K37 PolarHBondContact O-N 2.93Å; E35-K37 WeakPolarHBondContact OE2-CD 3.41Å; E35-K37 WeakPolarHBondContact OE2-CE 2.84Å; E35-K37 IonicContact OE2-NZ 2.97Å; E35-K37 PolarHBondContact OE2-NZ 2.87Å |
| 36 | G | 93.8 | Very high | 93.5 | Very high | 63 Ų | 63 | 76.4 Ų | 76.4 | 65% | 0.649 | 40% | 0.404 | S | S | * | . | trans | 68.1 | 16.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C31 V32 | C31-G36 PolarHBondContact O-N 3.42Å; V32-G36 VanDerWaalsContact O-CA 3.3Å; V32-G36 WeakPolarHBondContact O-CA 3.32Å; V32-G36 PolarHBondContact O-N 3.44Å | ||
| 37 | K | 94.3 | Very high | 93.5 | Very high | 63 Ų | 63 | 77.6 Ų | 77.6 | 27% | 0.274 | 41% | 0.409 | S | S | . | . | trans | -72.9 | 157.7 | 178.8 | -69.9 | 174.7 | 174.1 | 166.6 | 0 | 111 | C31 E35 E41 E45 | C31-K37 WeakPolarHBondContact O-CB 3.37Å; C31-K37 PolarHBondContact O-N 3.01Å; C31-K37 VanDerWaalsContact O-N 3.14Å; E35-K37 HydrophobicContact CB-CD 4.29Å; E35-K37 HydrophobicContact CB-CG 4.15Å; E35-K37 PolarHBondContact O-N 2.93Å; E35-K37 WeakPolarHBondContact OE2-CD 3.41Å; E35-K37 WeakPolarHBondContact OE2-CE 2.84Å; E35-K37 IonicContact OE2-NZ 2.97Å; E35-K37 PolarHBondContact OE2-NZ 2.87Å; K37-E41 HydrophobicContact CB-CB 4.43Å; K37-E45 WeakPolarHBondContact CE-OE1 2.96Å; K37-E45 IonicContact NZ-OE1 3.62Å; K37-E45 PolarHBondContact NZ-OE1 2.04Å; K37-E45 IonicContact NZ-OE2 2.69Å; K37-E45 PolarHBondContact NZ-OE2 3.31Å | ||
| 38 | M | 93.3 | Very high | 93.5 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | trans | -68.5 | 143.5 | 173.2 | -61.6 | -167.1 | 72.6 | 0 | 0 | 110.4 | S40 E41 C42 | M38-S40 PolarHBondContact O-N 3.11Å; M38-E41 HydrophobicContact CB-CG 4.17Å; M38-E41 WeakPolarHBondContact CB-OE2 3.34Å; M38-E41 WeakPolarHBondContact CG-OE2 3.49Å; M38-E41 PolarHBondContact N-OE2 2.73Å; M38-E41 WeakPolarHBondContact O-CA 3.14Å; M38-E41 WeakPolarHBondContact O-CB 3.36Å; M38-E41 PolarHBondContact O-N 2.88Å; M38-C42 PolarHBondContact O-N 3.12Å; M38-C42 PolarHBondContact O-SG 3.4Å | ||
| 39 | P | 91.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 74 Ų | 74 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -53 | -32.2 | 174.8 | -27.5 | 33.7 | 0 | 0 | 0 | 113.5 | L27 V32 E41 C42 L43 | L27-P39 HydrophobicContact CD2-CG 4.17Å; V32-P39 HydrophobicContact CG2-CB 4.34Å; V32-P39 HydrophobicContact CG2-CG 4Å; P39-E41 VanDerWaalsContact C-N 3.33Å; P39-E41 PolarHBondContact O-N 3.26Å; P39-C42 PolarHBondContact O-N 3.43Å; P39-L43 VanDerWaalsContact O-CB 3.32Å; P39-L43 WeakPolarHBondContact O-CB 3.35Å; P39-L43 PolarHBondContact O-N 3.21Å |
| 40 | S | 91.4 | Very high | 93.2 | Very high | 74 Ų | 74 | 74.8 Ų | 74.8 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -30.4 | 175 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | M38 K44 | M38-S40 PolarHBondContact O-N 3.11Å; S40-K44 WeakPolarHBondContact O-CG 3.1Å; S40-K44 PolarHBondContact O-N 3.23Å |
| 41 | E | 94.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 73.6 Ų | 73.6 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.1 | -45.8 | 173.6 | -63.7 | 174.9 | 102.3 | 0 | 0 | 109.6 | K37 M38 P39 L43 K44 E45 | K37-E41 HydrophobicContact CB-CB 4.43Å; M38-E41 HydrophobicContact CB-CG 4.17Å; M38-E41 WeakPolarHBondContact CB-OE2 3.34Å; M38-E41 WeakPolarHBondContact CG-OE2 3.49Å; M38-E41 PolarHBondContact N-OE2 2.73Å; M38-E41 WeakPolarHBondContact O-CA 3.14Å; M38-E41 WeakPolarHBondContact O-CB 3.36Å; M38-E41 PolarHBondContact O-N 2.88Å; P39-E41 VanDerWaalsContact C-N 3.33Å; P39-E41 PolarHBondContact O-N 3.26Å; E41-L43 PolarHBondContact O-N 2.9Å; E41-K44 WeakPolarHBondContact O-CA 3.07Å; E41-K44 WeakPolarHBondContact O-CB 3.03Å; E41-K44 PolarHBondContact O-N 3.18Å; E41-E45 PolarHBondContact O-N 3.31Å |
| 42 | C | 92.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.4 | -34.9 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | L26 C31 V32 M38 P39 E45 G46 H47 | L26-C42 HydrophobicContact CD2-CB 4.09Å; C31-C42 HydrophobicContact CB-CB 3.8Å; C31-C42 WeakPolarHBondContact CB-SG 3.07Å; C31-C42 WeakPolarHBondContact SG-CA 3.36Å; C31-C42 WeakPolarHBondContact SG-CB 3.26Å; C31-C42 CovalentContact SG-SG 2.03Å; C31-C42 PolarHBondContact SG-SG 3.39Å; V32-C42 HydrophobicContact CG2-CB 4.43Å; V32-C42 VanDerWaalsContact CG2-SG 3.57Å; M38-C42 PolarHBondContact O-N 3.12Å; M38-C42 PolarHBondContact O-SG 3.4Å; P39-C42 PolarHBondContact O-N 3.43Å; C42-E45 PolarHBondContact O-N 2.93Å; C42-G46 PolarHBondContact O-N 2.91Å; C42-H47 HydrophobicContact CB-CB 4.45Å; C42-H47 PolarHBondContact O-CD2 3.14Å; C42-H47 VanDerWaalsContact O-CD2 3.23Å; C42-H47 PolarHBondContact O-N 3.08Å; C42-H47 VanDerWaalsContact O-N 3.11Å |
| 43 | L | 90.6 | Very high | 92.7 | Very high | 63 Ų | 63 | 76.8 Ų | 76.8 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 173.5 | -178.8 | 65.5 | 0 | 0 | 0 | 112.6 | F22 L26 P39 E41 G46 Q52 | F22-L43 HydrophobicContact CE1-CD1 4.04Å; F22-L43 HydrophobicContact CZ-CD1 3.48Å; F22-L43 VanDerWaalsContact CZ-CD1 3.48Å; L26-L43 HydrophobicContact CD1-CD1 4.49Å; P39-L43 VanDerWaalsContact O-CB 3.32Å; P39-L43 WeakPolarHBondContact O-CB 3.35Å; P39-L43 PolarHBondContact O-N 3.21Å; E41-L43 PolarHBondContact O-N 2.9Å; L43-G46 PolarHBondContact O-N 2.97Å; L43-Q52 HydrophobicContact CD1-CG 4.49Å |
| 44 | K | 91.4 | Very high | 92.5 | Very high | 185 Ų | 185 | 74.4 Ų | 74.4 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.6 | -32.4 | 178.1 | -71.1 | 173.2 | -177 | 178.3 | 0 | 112 | S40 E41 G46 | S40-K44 WeakPolarHBondContact O-CG 3.1Å; S40-K44 PolarHBondContact O-N 3.23Å; E41-K44 WeakPolarHBondContact O-CA 3.07Å; E41-K44 WeakPolarHBondContact O-CB 3.03Å; E41-K44 PolarHBondContact O-N 3.18Å; K44-G46 PolarHBondContact O-N 3.36Å |
| 45 | E | 92.8 | Very high | 92.3 | Very high | 100 Ų | 100 | 69.2 Ų | 69.2 | 47% | 0.467 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.2 | -14.7 | 174.3 | -68 | 178.9 | -175.4 | 0 | 0 | 112.9 | K37 E41 C42 H47 | K37-E45 WeakPolarHBondContact CE-OE1 2.96Å; K37-E45 IonicContact NZ-OE1 3.62Å; K37-E45 PolarHBondContact NZ-OE1 2.04Å; K37-E45 IonicContact NZ-OE2 2.69Å; K37-E45 PolarHBondContact NZ-OE2 3.31Å; E41-E45 PolarHBondContact O-N 3.31Å; C42-E45 PolarHBondContact O-N 2.93Å; E45-H47 IonicContact OE2-CD2 3.29Å; E45-H47 IonicContact OE2-NE2 2.72Å; E45-H47 PolarHBondContact OE2-NE2 3.42Å |
| 46 | G | 91.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 68.7 Ų | 68.7 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 24.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C42 L43 K44 | C42-G46 PolarHBondContact O-N 2.91Å; L43-G46 PolarHBondContact O-N 2.97Å; K44-G46 PolarHBondContact O-N 3.36Å |
| 47 | H | 92.2 | Very high | 92 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 19% | 0.185 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 148.4 | 171.2 | -63 | -69.9 | 0 | 0 | 0 | 110.6 | L26 H29 C31 C42 E45 K49 | L26-H47 HydrophobicContact CD2-CB 4.34Å; H29-H47 AromaticContact CE1-CE1 3.82Å; H29-H47 AromaticContact CE1-CG 3.73Å; H29-H47 AromaticContact CE1-ND1 3.03Å; H29-H47 PolarHBondContact CE1-ND1 3.14Å; H29-H47 AromaticContact ND1-CG 3.69Å; H29-H47 AromaticContact ND1-ND1 3.42Å; H29-H47 PolarHBondContact ND1-ND1 2.92Å; H29-H47 AromaticContact NE2-ND1 3.94Å; C31-H47 VanDerWaalsContact SG-CD2 3.57Å; C42-H47 HydrophobicContact CB-CB 4.45Å; C42-H47 PolarHBondContact O-CD2 3.14Å; C42-H47 VanDerWaalsContact O-CD2 3.23Å; C42-H47 PolarHBondContact O-N 3.08Å; C42-H47 VanDerWaalsContact O-N 3.11Å; E45-H47 IonicContact OE2-CD2 3.29Å; E45-H47 IonicContact OE2-NE2 2.72Å; E45-H47 PolarHBondContact OE2-NE2 3.42Å; H47-K49 VanDerWaalsContact C-N 3.29Å; H47-K49 PolarHBondContact O-N 2Å |
| 48 | C | 93.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 32.9 | -176.4 | -56.6 | 0 | 0 | 0 | 0 | 114.5 | F22 C25 L26 A50 L51 Q52 | F22-C48 HydrophobicContact CD2-CB 4.03Å; F22-C48 HydrophobicContact CE2-CB 3.78Å; C25-C48 HydrophobicContact CB-CB 3.93Å; C25-C48 WeakPolarHBondContact CB-SG 3.48Å; C25-C48 WeakPolarHBondContact SG-CB 3.39Å; C25-C48 CovalentContact SG-SG 2.04Å; C25-C48 PolarHBondContact SG-SG 3.33Å; L26-C48 HydrophobicContact CD2-CB 4.46Å; C48-A50 VanDerWaalsContact C-N 3.26Å; C48-A50 PolarHBondContact O-N 3.03Å; C48-A50 VanDerWaalsContact O-N 3.14Å; C48-L51 PolarHBondContact O-N 3.44Å; C48-L51 VanDerWaalsContact O-N 3.14Å; C48-Q52 PolarHBondContact O-N 3.46Å |
| 49 | K | 92.9 | Very high | 91.4 | Very high | 146 Ų | 146 | 69.1 Ų | 69.1 | 64% | 0.635 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.5 | -34 | -174.8 | -167 | 170.6 | -176.4 | 178 | 0 | 115 | H47 Q52 T53 | H47-K49 VanDerWaalsContact C-N 3.29Å; H47-K49 PolarHBondContact O-N 2Å; K49-Q52 PolarHBondContact O-N 3.39Å; K49-T53 WeakPolarHBondContact O-CB 2.99Å; K49-T53 PolarHBondContact O-N 3.39Å; K49-T53 PolarHBondContact O-OG1 2.99Å |
| 50 | A | 92 | Very high | 91 | Very high | 78 Ų | 78 | 75.3 Ų | 75.3 | 65% | 0.645 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.3 | -55.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C48 Q52 T53 S54 | C48-A50 VanDerWaalsContact C-N 3.26Å; C48-A50 PolarHBondContact O-N 3.03Å; C48-A50 VanDerWaalsContact O-N 3.14Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; A50-Q52 PolarHBondContact O-N 2.83Å; A50-T53 WeakPolarHBondContact O-CB 3.44Å; A50-T53 PolarHBondContact O-N 2.98Å; A50-S54 PolarHBondContact O-N 3.19Å; A50-S54 PolarHBondContact O-OG 3.34Å; A50-S54 VanDerWaalsContact O-OG 3.12Å |
| 51 | L | 92.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 75.2 Ų | 75.2 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.6 | -34.7 | 177.3 | -71 | 169.4 | 0 | 0 | 0 | 112.4 | D21 F22 C25 C48 T53 S54 F55 | D21-L51 HydrophobicContact CB-CD1 4.42Å; D21-L51 HydrophobicContact CB-CD2 4.1Å; F22-L51 HydrophobicContact CB-CB 4.21Å; F22-L51 HydrophobicContact CD2-CB 3.62Å; F22-L51 HydrophobicContact CE2-CB 4.43Å; F22-L51 HydrophobicContact CG-CB 4.31Å; C25-L51 HydrophobicContact CB-CD1 3.56Å; C48-L51 PolarHBondContact O-N 3.44Å; C48-L51 VanDerWaalsContact O-N 3.14Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-T53 PolarHBondContact O-N 3.49Å; L51-S54 PolarHBondContact O-N 2.92Å; L51-F55 WeakPolarHBondContact O-CB 3.32Å; L51-F55 PolarHBondContact O-N 3.49Å |
| 52 | Q | 91.2 | Very high | 89.2 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.5 | -47.4 | 172.7 | -173.9 | -178.6 | 36.7 | 0 | 0 | 111 | F22 L43 C48 K49 A50 F55 F56 | F22-Q52 HydrophobicContact CE2-CB 3.67Å; F22-Q52 HydrophobicContact CE2-CG 4.42Å; F22-Q52 HydrophobicContact CZ-CB 3.69Å; F22-Q52 HydrophobicContact CZ-CG 3.93Å; L43-Q52 HydrophobicContact CD1-CG 4.49Å; C48-Q52 PolarHBondContact O-N 3.46Å; K49-Q52 PolarHBondContact O-N 3.39Å; A50-Q52 VanDerWaalsContact C-N 3.33Å; A50-Q52 PolarHBondContact O-N 2.83Å; Q52-F55 PolarHBondContact O-N 3.12Å; Q52-F56 HydrophobicContact CG-CD2 3.82Å; Q52-F56 HydrophobicContact CG-CE2 3.47Å; Q52-F56 VanDerWaalsContact CG-CE2 3.47Å; Q52-F56 WeakPolarHBondContact O-CD2 3.04Å; Q52-F56 PolarHBondContact O-N 3.04Å |
| 53 | T | 91.8 | Very high | 87.8 | Confident | 59 Ų | 59 | 78.7 Ų | 78.7 | 36% | 0.362 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | K49 A50 L51 F55 F56 E57 | K49-T53 WeakPolarHBondContact O-CB 2.99Å; K49-T53 PolarHBondContact O-N 3.39Å; K49-T53 PolarHBondContact O-OG1 2.99Å; A50-T53 WeakPolarHBondContact O-CB 3.44Å; A50-T53 PolarHBondContact O-N 2.98Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-T53 PolarHBondContact O-N 3.49Å; T53-F55 VanDerWaalsContact C-N 3.31Å; T53-F55 PolarHBondContact O-N 2.77Å; T53-F56 PolarHBondContact O-N 3.22Å; T53-F56 VanDerWaalsContact O-N 3.15Å; T53-E57 HydrophobicContact CG2-CG 4.31Å; T53-E57 WeakPolarHBondContact CG2-OE1 3.47Å; T53-E57 WeakPolarHBondContact O-CB 3.34Å; T53-E57 WeakPolarHBondContact O-CG 3.23Å; T53-E57 PolarHBondContact O-N 3.46Å |
| 54 | S | 91.2 | Very high | 86.2 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 34% | 0.336 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 177.7 | -56 | 0 | 0 | 0 | 0 | 112.9 | A50 L51 E57 C58 | A50-S54 PolarHBondContact O-N 3.19Å; A50-S54 PolarHBondContact O-OG 3.34Å; A50-S54 VanDerWaalsContact O-OG 3.12Å; L51-S54 PolarHBondContact O-N 2.92Å; S54-E57 PolarHBondContact O-N 3.43Å; S54-C58 VanDerWaalsContact O-CB 3.23Å; S54-C58 WeakPolarHBondContact O-CB 3.5Å; S54-C58 PolarHBondContact O-N 3.47Å |
| 55 | F | 90.3 | Very high | 84.3 | Confident | 42 Ų | 42 | 78.2 Ų | 78.2 | 18% | 0.184 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 175.9 | -177.5 | -106.9 | 0 | 0 | 0 | 111.6 | C15 I18 R19 L51 Q52 T53 K59 | C15-F55 HydrophobicContact CB-CE2 4.48Å; I18-F55 HydrophobicContact CG2-CB 3.89Å; I18-F55 HydrophobicContact CG2-CD2 4.3Å; R19-F55 HydrophobicContact CB-CD2 4.37Å; R19-F55 HydrophobicContact CB-CE2 3.91Å; R19-F55 HydrophobicContact CG-CE2 4.25Å; L51-F55 WeakPolarHBondContact O-CB 3.32Å; L51-F55 PolarHBondContact O-N 3.49Å; Q52-F55 PolarHBondContact O-N 3.12Å; T53-F55 VanDerWaalsContact C-N 3.31Å; T53-F55 PolarHBondContact O-N 2.77Å; F55-K59 WeakPolarHBondContact O-CB 3.47Å; F55-K59 PolarHBondContact O-N 3.15Å |
| 56 | F | 89.4 | Confident | 82.3 | Confident | 95 Ų | 95 | 78.3 Ų | 78.3 | 42% | 0.417 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 176.3 | -76.1 | -58.4 | 0 | 0 | 0 | 112.7 | Q52 T53 K59 R60 | Q52-F56 HydrophobicContact CG-CD2 3.82Å; Q52-F56 HydrophobicContact CG-CE2 3.47Å; Q52-F56 VanDerWaalsContact CG-CE2 3.47Å; Q52-F56 WeakPolarHBondContact O-CD2 3.04Å; Q52-F56 PolarHBondContact O-N 3.04Å; T53-F56 PolarHBondContact O-N 3.22Å; T53-F56 VanDerWaalsContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 3.41Å; F56-R60 WeakPolarHBondContact O-CB 3.43Å; F56-R60 WeakPolarHBondContact O-CG 3.4Å; F56-R60 PolarHBondContact O-N 3.31Å |
| 57 | E | 90 | Very high | 80.1 | Confident | 105 Ų | 105 | 80 Ų | 80 | 49% | 0.491 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175 | -75 | 175 | 171 | 0 | 0 | 111.2 | T53 S54 K59 R60 S61 | T53-E57 HydrophobicContact CG2-CG 4.31Å; T53-E57 WeakPolarHBondContact CG2-OE1 3.47Å; T53-E57 WeakPolarHBondContact O-CB 3.34Å; T53-E57 WeakPolarHBondContact O-CG 3.23Å; T53-E57 PolarHBondContact O-N 3.46Å; S54-E57 PolarHBondContact O-N 3.43Å; E57-K59 VanDerWaalsContact C-N 3.28Å; E57-K59 PolarHBondContact O-N 3.32Å; E57-R60 PolarHBondContact O-N 2.82Å; E57-R60 VanDerWaalsContact O-N 3.1Å; E57-S61 WeakPolarHBondContact O-CB 3.21Å; E57-S61 PolarHBondContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 2.87Å |
| 58 | C | 90.3 | Very high | 78 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 24% | 0.243 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 175.5 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | C15 I18 S54 S61 M62 | C15-C58 HydrophobicContact CB-CB 3.82Å; C15-C58 WeakPolarHBondContact CB-SG 3.48Å; C15-C58 WeakPolarHBondContact SG-CB 3.29Å; C15-C58 CovalentContact SG-SG 2Å; C15-C58 PolarHBondContact SG-SG 3.48Å; I18-C58 HydrophobicContact CD1-CB 3.83Å; S54-C58 VanDerWaalsContact O-CB 3.23Å; S54-C58 WeakPolarHBondContact O-CB 3.5Å; S54-C58 PolarHBondContact O-N 3.47Å; C58-S61 PolarHBondContact O-N 3.17Å; C58-M62 WeakPolarHBondContact O-CG 3.35Å; C58-M62 PolarHBondContact O-N 3.1Å |
| 59 | K | 84.8 | Confident | 75.8 | Confident | 116 Ų | 116 | 88.7 Ų | 88.7 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 173.9 | -162.7 | -179 | 179.1 | -170.6 | 0 | 113.6 | F55 F56 E57 M62 V63 | F55-K59 WeakPolarHBondContact O-CB 3.47Å; F55-K59 PolarHBondContact O-N 3.15Å; F56-K59 PolarHBondContact O-N 3.41Å; E57-K59 VanDerWaalsContact C-N 3.28Å; E57-K59 PolarHBondContact O-N 3.32Å; K59-M62 HydrophobicContact CB-CE 4.25Å; K59-M62 HydrophobicContact CG-CE 4.19Å; K59-M62 WeakPolarHBondContact O-CB 3.49Å; K59-M62 PolarHBondContact O-N 2.8Å; K59-V63 WeakPolarHBondContact O-CG2 3.38Å; K59-V63 PolarHBondContact O-N 3.16Å; K59-V63 VanDerWaalsContact O-N 3.1Å |
| 60 | R | 84.4 | Confident | 73.8 | Confident | 176 Ų | 176 | 86.6 Ų | 86.6 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 177.8 | -78.1 | 171.3 | -179.9 | 176.3 | 0.9 | 111.7 | F56 E57 M62 V63 S64 | F56-R60 WeakPolarHBondContact O-CB 3.43Å; F56-R60 WeakPolarHBondContact O-CG 3.4Å; F56-R60 PolarHBondContact O-N 3.31Å; E57-R60 PolarHBondContact O-N 2.82Å; E57-R60 VanDerWaalsContact O-N 3.1Å; R60-M62 PolarHBondContact O-N 3.34Å; R60-V63 PolarHBondContact O-N 2.82Å; R60-V63 VanDerWaalsContact O-N 3.17Å; R60-S64 WeakPolarHBondContact O-CB 3.36Å; R60-S64 PolarHBondContact O-N 2.86Å |
| 61 | S | 75.1 | Confident | 71.5 | Confident | 71 Ų | 71 | 88.8 Ų | 88.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -34.4 | 174.8 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | E57 C58 Q65 | E57-S61 WeakPolarHBondContact O-CB 3.21Å; E57-S61 PolarHBondContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 2.87Å; C58-S61 PolarHBondContact O-N 3.17Å; S61-Q65 WeakPolarHBondContact O-CG 3.39Å; S61-Q65 PolarHBondContact O-N 3.47Å |
| 62 | M | 72.8 | Confident | 69.2 | Low | 62 Ų | 62 | 100.6 Ų | 100.6 | 31% | 0.305 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 174.2 | -65.6 | -172 | -65.6 | 0 | 0 | 113.9 | A14 C15 C58 K59 R60 S64 Q65 | A14-M62 HydrophobicContact CB-CE 4.21Å; A14-M62 HydrophobicContact CB-CG 4.48Å; A14-M62 HydrophobicContact CB-SD 3.07Å; A14-M62 WeakPolarHBondContact CB-SD 3.31Å; C15-M62 WeakPolarHBondContact SG-CE 3.5Å; C58-M62 WeakPolarHBondContact O-CG 3.35Å; C58-M62 PolarHBondContact O-N 3.1Å; K59-M62 HydrophobicContact CB-CE 4.25Å; K59-M62 HydrophobicContact CG-CE 4.19Å; K59-M62 WeakPolarHBondContact O-CB 3.49Å; K59-M62 PolarHBondContact O-N 2.8Å; R60-M62 PolarHBondContact O-N 3.34Å; M62-S64 VanDerWaalsContact C-N 3.33Å; M62-Q65 PolarHBondContact O-N 3.36Å |
| 63 | V | 64.4 | Low | 68.1 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 62% | 0.618 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.1 | -32.5 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 111 | K59 R60 Q65 S66 | K59-V63 WeakPolarHBondContact O-CG2 3.38Å; K59-V63 PolarHBondContact O-N 3.16Å; K59-V63 VanDerWaalsContact O-N 3.1Å; R60-V63 PolarHBondContact O-N 2.82Å; R60-V63 VanDerWaalsContact O-N 3.17Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 3.3Å; V63-S66 PolarHBondContact O-N 3.09Å |
| 64 | S | 55.7 | Low | 66.8 | Low | 78 Ų | 78 | 106.2 Ų | 106.2 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -28.9 | 174.5 | -165.4 | 0 | 0 | 0 | 0 | 112.9 | R60 M62 S66 A67 | R60-S64 WeakPolarHBondContact O-CB 3.36Å; R60-S64 PolarHBondContact O-N 2.86Å; M62-S64 VanDerWaalsContact C-N 3.33Å; S64-S66 PolarHBondContact O-N 2.94Å; S64-A67 WeakPolarHBondContact O-CA 3.33Å; S64-A67 WeakPolarHBondContact O-CB 3.44Å; S64-A67 PolarHBondContact O-N 3.28Å |
| 65 | Q | 52.8 | Low | 65.5 | Low | 159 Ų | 159 | 109.4 Ų | 109.4 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -17.5 | 175.6 | -73.8 | 170.7 | 33.7 | 0 | 0 | 113.7 | S61 M62 V63 | S61-Q65 WeakPolarHBondContact O-CG 3.39Å; S61-Q65 PolarHBondContact O-N 3.47Å; M62-Q65 PolarHBondContact O-N 3.36Å; V63-Q65 VanDerWaalsContact C-N 3.31Å; V63-Q65 PolarHBondContact O-N 3.3Å |
| 66 | S | 49.8 | Very low | 64 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -11.2 | 168.5 | -58.9 | 0 | 0 | 0 | 0 | 113.2 | V63 S64 V68 | V63-S66 PolarHBondContact O-N 3.09Å; S64-S66 PolarHBondContact O-N 2.94Å; S66-V68 VanDerWaalsContact C-N 3.26Å; S66-V68 PolarHBondContact O-N 3.27Å; S66-V68 VanDerWaalsContact O-N 3.09Å |
| 67 | A | 45.4 | Very low | 62.4 | Low | 62 Ų | 62 | 114.5 Ų | 114.5 | 51% | 0.512 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -80.9 | 84.9 | 164 | 0 | 0 | 0 | 0 | 0 | 106.9 | S64 V69 | S64-A67 WeakPolarHBondContact O-CA 3.33Å; S64-A67 WeakPolarHBondContact O-CB 3.44Å; S64-A67 PolarHBondContact O-N 3.28Å; A67-V69 PolarHBondContact O-N 2.71Å |
| 68 | V | 48.6 | Very low | 60.6 | Low | 118 Ų | 118 | 115.1 Ų | 115.1 | 72% | 0.715 | 62% | 0.62 | S | S | * | * | trans | -40.1 | 109.9 | 159.8 | -177.4 | 0 | 0 | 0 | 0 | 106.2 | S66 T70 | S66-V68 VanDerWaalsContact C-N 3.26Å; S66-V68 PolarHBondContact O-N 3.27Å; S66-V68 VanDerWaalsContact O-N 3.09Å; V68-T70 PolarHBondContact O-N 2.86Å | ||
| 69 | V | 46.2 | Very low | 58.5 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | trans | -64.6 | 87.3 | 163.7 | -170.4 | 0 | 0 | 0 | 0 | 104.1 | A67 V71 | A67-V69 PolarHBondContact O-N 2.71Å; V69-V71 HydrophobicContact CB-CG2 4.35Å; V69-V71 HydrophobicContact CG1-CB 4.46Å; V69-V71 HydrophobicContact CG1-CG2 3.32Å; V69-V71 PolarHBondContact O-N 2.9Å | ||
| 70 | T | 50.8 | Low | 56.4 | Low | 102 Ų | 102 | 121.2 Ų | 121.2 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | trans | -71.6 | 82.2 | 158 | -51.7 | 0 | 0 | 0 | 0 | 103.5 | V68 R72 | V68-T70 PolarHBondContact O-N 2.86Å; T70-R72 HydrophobicContact CG2-CG 4.05Å; T70-R72 PolarHBondContact O-N 2.95Å | ||
| 71 | V | 43.8 | Very low | 54.1 | Low | 124 Ų | 124 | 116.6 Ų | 116.6 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | trans | -61.7 | 98.6 | 156.6 | -175 | 0 | 0 | 0 | 0 | 103.8 | V69 | V69-V71 HydrophobicContact CB-CG2 4.35Å; V69-V71 HydrophobicContact CG1-CB 4.46Å; V69-V71 HydrophobicContact CG1-CG2 3.32Å; V69-V71 PolarHBondContact O-N 2.9Å | ||
| 72 | R | 44.1 | Very low | 52.2 | Low | 295 Ų | 295 | 120.7 Ų | 120.7 | 100% | 1.113 | 67% | 0.672 | S | S | * | * | trans | -87.9 | 0 | 156.9 | -95 | -173.7 | 170.3 | -179.4 | -3.1 | 107.8 | T70 | T70-R72 HydrophobicContact CG2-CG 4.05Å; T70-R72 PolarHBondContact O-N 2.95Å |
Retrieved 72 of 72 residues in 59.9 ms
(Link to these results)