| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.7 | Very low | 48.6 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 100% | 1.163 | 84% | 0.837 | S | S | * | * | 0 | 106.2 | 0 | -97.6 | 91.9 | 170 | 0 | 0 | 107.8 | |||||
| 2 | N | 43.9 | Very low | 49.3 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -81 | 116.6 | 170.9 | -71.7 | -9.2 | 0 | 0 | 0 | 107.6 | ||
| 3 | S | 49.4 | Very low | 50.4 | Low | 124 Ų | 124 | 146.5 Ų | 146.5 | 87% | 0.867 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85 | 120.9 | 168.8 | -68.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 4 | L | 55.8 | Low | 52.2 | Low | 166 Ų | 166 | 140.1 Ų | 140.1 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 145.3 | -175.5 | -71.9 | 139.8 | 0 | 0 | 0 | 112.3 | ||
| 5 | D | 49.1 | Very low | 54.6 | Low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -41.3 | 138.1 | 159.9 | -69.7 | -62 | 0 | 0 | 0 | 113.1 | ||||
| 6 | N | 58.8 | Low | 57 | Low | 156 Ų | 156 | 138.7 Ų | 138.7 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -160.4 | 155.8 | 145.3 | -135.2 | 5.2 | 0 | 0 | 0 | 110 | ||||
| 7 | P | 47.1 | Very low | 59.1 | Low | 98 Ų | 98 | 134.9 Ų | 134.9 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | -116.3 | 141 | -95.3 | 33.6 | -18.6 | 0 | 0 | 0 | 110.1 | E9 | P7-E9 PolarHBondContact O-N 3.01Š| |||
| 8 | G | 43.1 | Very low | 60.9 | Low | 87 Ų | 87 | 130.4 Ų | 130.4 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | trans | -59.8 | 111.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | E | 46.5 | Very low | 62.8 | Low | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -52.3 | 152.2 | 172 | -65.3 | 168.8 | 125.3 | 0 | 0 | 111.6 | P7 | P7-E9 PolarHBondContact O-N 3.01Š| ||
| 10 | G | 40.7 | Very low | 64.4 | Low | 65 Ų | 65 | 125.4 Ų | 125.4 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | trans | -58 | 131.3 | -159.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q12 | G10-Q12 VanDerWaalsContact C-N 3.27Å; G10-Q12 PolarHBondContact O-N 3.21Å | ||
| 11 | D | 51.4 | Low | 65.9 | Low | 121 Ų | 121 | 124.1 Ų | 124.1 | 65% | 0.647 | 69% | 0.688 | S | S | * | * | trans | -75.4 | 86.9 | 162.4 | -163 | 12.5 | 0 | 0 | 0 | 108.5 | N13 N14 | D11-N13 PolarHBondContact O-N 3.06Å; D11-N13 VanDerWaalsContact O-N 3.16Å; D11-N14 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 12 | Q | 57.1 | Low | 68.2 | Low | 177 Ų | 177 | 117.7 Ų | 117.7 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | trans | -57.9 | 108.4 | 168.7 | -63.6 | 174.4 | -6.1 | 0 | 0 | 108.8 | G10 N14 | G10-Q12 VanDerWaalsContact C-N 3.27Å; G10-Q12 PolarHBondContact O-N 3.21Å; Q12-N14 PolarHBondContact O-N 2.98Å; Q12-N14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | N | 63.2 | Low | 70.8 | Confident | 160 Ų | 160 | 115.9 Ų | 115.9 | 86% | 0.856 | 64% | 0.639 | S | S | * | * | trans | 40.7 | 57.5 | 162 | -95.1 | -29.3 | 0 | 0 | 0 | 115.1 | D11 P15 | D11-N13 PolarHBondContact O-N 3.06Å; D11-N13 VanDerWaalsContact O-N 3.16Å; N13-P15 WeakPolarHBondContact O-CD 3.32Å; N13-P15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | N | 76.1 | Confident | 73.1 | Confident | 58 Ų | 58 | 116.1 Ų | 116.1 | 31% | 0.31 | 63% | 0.625 | S | S | . | * | trans | -65.8 | 112.9 | 170.8 | -173.2 | -11.9 | 0 | 0 | 0 | 108.8 | D11 Q12 R16 Q17 A18 | D11-N14 WeakPolarHBondContact OD2-CB 3.42Å; Q12-N14 PolarHBondContact O-N 2.98Å; Q12-N14 VanDerWaalsContact O-N 3.11Å; N14-R16 PolarHBondContact O-N 3.16Å; N14-R16 VanDerWaalsContact OD1-CB 3.32Å; N14-R16 WeakPolarHBondContact OD1-CB 3.48Å; N14-R16 PolarHBondContact OD1-N 3.42Å; N14-Q17 HydrophobicContact CB-CB 3.98Å; N14-Q17 WeakPolarHBondContact O-CA 3.38Å; N14-Q17 WeakPolarHBondContact O-CB 3.17Å; N14-Q17 PolarHBondContact O-N 3.19Å; N14-A18 PolarHBondContact O-N 2.97Å | ||
| 15 | P | 88.7 | Confident | 75.1 | Confident | 94 Ų | 94 | 113.6 Ų | 113.6 | 61% | 0.61 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56.5 | -30.5 | -177.9 | 22.4 | -33.5 | 0 | 0 | 0 | 111.7 | N13 A18 E19 | N13-P15 WeakPolarHBondContact O-CD 3.32Å; N13-P15 VanDerWaalsContact O-N 3.13Å; P15-A18 PolarHBondContact O-N 3Å; P15-E19 WeakPolarHBondContact O-CG 3.37Å; P15-E19 PolarHBondContact O-N 3.11Å |
| 16 | R | 92.1 | Very high | 77.5 | Confident | 163 Ų | 163 | 108.9 Ų | 108.9 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -37 | 174.6 | -172.4 | 175.8 | -179.6 | -88.6 | 0.3 | 112.8 | N14 E19 I20 | N14-R16 PolarHBondContact O-N 3.16Å; N14-R16 VanDerWaalsContact OD1-CB 3.32Å; N14-R16 WeakPolarHBondContact OD1-CB 3.48Å; N14-R16 PolarHBondContact OD1-N 3.42Å; R16-E19 PolarHBondContact O-N 3.16Å; R16-I20 HydrophobicContact CG-CD1 4.2Å; R16-I20 WeakPolarHBondContact O-CD1 3.42Å; R16-I20 VanDerWaalsContact O-CG1 3.24Å; R16-I20 WeakPolarHBondContact O-CG1 3.24Å; R16-I20 PolarHBondContact O-N 3.44Å |
| 17 | Q | 92.7 | Very high | 79.4 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 35% | 0.35 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.8 | -43.2 | 177.8 | -178.4 | 59.9 | 26.9 | 0 | 0 | 110.5 | N14 E19 I20 E21 | N14-Q17 HydrophobicContact CB-CB 3.98Å; N14-Q17 WeakPolarHBondContact O-CA 3.38Å; N14-Q17 WeakPolarHBondContact O-CB 3.17Å; N14-Q17 PolarHBondContact O-N 3.19Å; Q17-E19 VanDerWaalsContact C-N 3.34Å; Q17-E19 PolarHBondContact O-N 3Å; Q17-I20 PolarHBondContact O-N 3.47Å; Q17-I20 VanDerWaalsContact O-N 3.16Å; Q17-E21 PolarHBondContact NE2-OE1 3.45Å; Q17-E21 WeakPolarHBondContact O-CG 3.32Å; Q17-E21 PolarHBondContact O-N 2.84Å |
| 18 | A | 92.3 | Very high | 81.8 | Confident | 53 Ų | 53 | 103.5 Ų | 103.5 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.3 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | N14 P15 I20 E21 Q22 | N14-A18 PolarHBondContact O-N 2.97Å; P15-A18 PolarHBondContact O-N 3Å; A18-I20 PolarHBondContact O-N 2.92Å; A18-E21 PolarHBondContact O-N 2.85Å; A18-Q22 PolarHBondContact O-N 3.33Å |
| 19 | E | 95.9 | Very high | 84.4 | Confident | 111 Ų | 111 | 102.9 Ų | 102.9 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 173.8 | -75.7 | 177.6 | -166 | 0 | 0 | 113.2 | P15 R16 Q17 K23 | P15-E19 WeakPolarHBondContact O-CG 3.37Å; P15-E19 PolarHBondContact O-N 3.11Å; R16-E19 PolarHBondContact O-N 3.16Å; Q17-E19 VanDerWaalsContact C-N 3.34Å; Q17-E19 PolarHBondContact O-N 3Å; E19-K23 VanDerWaalsContact O-CG 3.32Å; E19-K23 WeakPolarHBondContact O-CG 3.49Å; E19-K23 PolarHBondContact O-N 3.47Å |
| 20 | I | 96.2 | Very high | 86.9 | Confident | 49 Ų | 49 | 101.3 Ų | 101.3 | 25% | 0.251 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.3 | -72.6 | 165.4 | 0 | 0 | 0 | 110.3 | R16 Q17 A18 K23 K24 | R16-I20 HydrophobicContact CG-CD1 4.2Å; R16-I20 WeakPolarHBondContact O-CD1 3.42Å; R16-I20 VanDerWaalsContact O-CG1 3.24Å; R16-I20 WeakPolarHBondContact O-CG1 3.24Å; R16-I20 PolarHBondContact O-N 3.44Å; Q17-I20 PolarHBondContact O-N 3.47Å; Q17-I20 VanDerWaalsContact O-N 3.16Å; A18-I20 PolarHBondContact O-N 2.92Å; I20-K23 PolarHBondContact O-N 3.01Å; I20-K24 HydrophobicContact CG2-CD 4.37Å; I20-K24 WeakPolarHBondContact O-CG 3.5Å; I20-K24 PolarHBondContact O-N 2.88Å |
| 21 | E | 96.1 | Very high | 89.6 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.1 | -74.1 | 170.7 | -168.6 | 0 | 0 | 111.5 | Q17 A18 K23 K24 L25 | Q17-E21 PolarHBondContact NE2-OE1 3.45Å; Q17-E21 WeakPolarHBondContact O-CG 3.32Å; Q17-E21 PolarHBondContact O-N 2.84Å; A18-E21 PolarHBondContact O-N 2.85Å; E21-K23 PolarHBondContact O-N 2.92Å; E21-K24 WeakPolarHBondContact O-CB 3.46Å; E21-K24 PolarHBondContact O-N 3.04Å; E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.17Å |
| 22 | Q | 96.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 174 | -174.2 | 58.7 | 52.2 | 0 | 0 | 111.6 | A18 K24 L25 D26 | A18-Q22 PolarHBondContact O-N 3.33Å; Q22-K24 VanDerWaalsContact C-N 3.27Å; Q22-K24 PolarHBondContact O-N 3.39Å; Q22-L25 WeakPolarHBondContact O-CB 3.4Å; Q22-L25 PolarHBondContact O-N 2.89Å; Q22-D26 PolarHBondContact NE2-OD1 3.29Å; Q22-D26 VanDerWaalsContact O-CG 3.28Å; Q22-D26 PolarHBondContact O-N 3.06Å |
| 23 | K | 97.8 | Very high | 93.7 | Very high | 123 Ų | 123 | 98 Ų | 98 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 177.5 | -74.5 | 170.5 | -178.4 | 166.7 | 0 | 112.6 | E19 I20 E21 D26 I27 | E19-K23 VanDerWaalsContact O-CG 3.32Å; E19-K23 WeakPolarHBondContact O-CG 3.49Å; E19-K23 PolarHBondContact O-N 3.47Å; I20-K23 PolarHBondContact O-N 3.01Å; E21-K23 PolarHBondContact O-N 2.92Å; K23-D26 PolarHBondContact O-N 3.48Å; K23-I27 WeakPolarHBondContact O-CB 3.36Å; K23-I27 VanDerWaalsContact O-CG1 3.25Å; K23-I27 WeakPolarHBondContact O-CG1 3.25Å; K23-I27 PolarHBondContact O-N 2.99Å |
| 24 | K | 98.2 | Very high | 95.4 | Very high | 130 Ų | 130 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 174.3 | -74 | 172.6 | 179.5 | 176.8 | 0 | 111.5 | I20 E21 Q22 I27 A28 | I20-K24 HydrophobicContact CG2-CD 4.37Å; I20-K24 WeakPolarHBondContact O-CG 3.5Å; I20-K24 PolarHBondContact O-N 2.88Å; E21-K24 WeakPolarHBondContact O-CB 3.46Å; E21-K24 PolarHBondContact O-N 3.04Å; Q22-K24 VanDerWaalsContact C-N 3.27Å; Q22-K24 PolarHBondContact O-N 3.39Å; K24-I27 PolarHBondContact O-N 2.89Å; K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 3.47Å |
| 25 | L | 98.1 | Very high | 96.4 | Very high | 112 Ų | 112 | 100.6 Ų | 100.6 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 174.7 | -66.8 | 173.2 | 0 | 0 | 0 | 111.5 | E21 Q22 I27 A28 C29 | E21-L25 WeakPolarHBondContact O-CG 3.44Å; E21-L25 PolarHBondContact O-N 3.17Å; Q22-L25 WeakPolarHBondContact O-CB 3.4Å; Q22-L25 PolarHBondContact O-N 2.89Å; L25-I27 PolarHBondContact O-N 3.19Å; L25-A28 WeakPolarHBondContact O-CB 3.48Å; L25-A28 PolarHBondContact O-N 2.98Å; L25-C29 PolarHBondContact O-N 3.48Å |
| 26 | D | 98.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 100.5 Ų | 100.5 | 32% | 0.321 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.1 | -61.9 | -17.6 | 0 | 0 | 0 | 111.1 | Q22 K23 A28 C29 Y30 | Q22-D26 PolarHBondContact NE2-OD1 3.29Å; Q22-D26 VanDerWaalsContact O-CG 3.28Å; Q22-D26 PolarHBondContact O-N 3.06Å; K23-D26 PolarHBondContact O-N 3.48Å; D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 2.9Å; D26-C29 WeakPolarHBondContact O-CB 3.48Å; D26-C29 PolarHBondContact O-N 3.43Å; D26-Y30 HydrophobicContact CB-CE2 4.21Å; D26-Y30 WeakPolarHBondContact O-CD2 3.49Å; D26-Y30 VanDerWaalsContact O-CG 3.31Å; D26-Y30 PolarHBondContact O-N 2.91Å |
| 27 | I | 98.4 | Very high | 97 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.5 | -70.9 | 166.5 | 0 | 0 | 0 | 111.2 | K23 K24 L25 C29 Y30 K31 | K23-I27 WeakPolarHBondContact O-CB 3.36Å; K23-I27 VanDerWaalsContact O-CG1 3.25Å; K23-I27 WeakPolarHBondContact O-CG1 3.25Å; K23-I27 PolarHBondContact O-N 2.99Å; K24-I27 PolarHBondContact O-N 2.89Å; L25-I27 PolarHBondContact O-N 3.19Å; I27-C29 VanDerWaalsContact C-N 3.32Å; I27-Y30 PolarHBondContact O-N 3.4Å; I27-K31 HydrophobicContact CG2-CD 4.18Å; I27-K31 HydrophobicContact CG2-CG 4.45Å; I27-K31 WeakPolarHBondContact O-CG 3.21Å; I27-K31 PolarHBondContact O-N 3.34Å |
| 28 | A | 98.1 | Very high | 97.2 | Very high | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K24 L25 D26 K31 H32 | K24-A28 WeakPolarHBondContact O-CB 3.37Å; K24-A28 PolarHBondContact O-N 3.47Å; L25-A28 WeakPolarHBondContact O-CB 3.48Å; L25-A28 PolarHBondContact O-N 2.98Å; D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 2.9Å; A28-K31 PolarHBondContact O-N 3.19Å; A28-H32 WeakPolarHBondContact O-CB 3.43Å; A28-H32 PolarHBondContact O-N 2.99Å |
| 29 | C | 98 | Very high | 97.4 | Very high | 74 Ų | 74 | 108.2 Ų | 108.2 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | 174.8 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | L25 D26 I27 H32 S33 | L25-C29 PolarHBondContact O-N 3.48Å; D26-C29 WeakPolarHBondContact O-CB 3.48Å; D26-C29 PolarHBondContact O-N 3.43Å; I27-C29 VanDerWaalsContact C-N 3.32Å; C29-H32 PolarHBondContact O-N 2.93Å; C29-S33 WeakPolarHBondContact O-CB 3.35Å; C29-S33 PolarHBondContact O-N 2.84Å; C29-S33 PolarHBondContact O-OG 3.13Å |
| 30 | Y | 98.2 | Very high | 97.5 | Very high | 160 Ų | 160 | 105.8 Ų | 105.8 | 63% | 0.627 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 176.9 | -63.3 | -38.2 | 0 | 0 | 0 | 112.4 | D26 I27 H32 S33 L34 | D26-Y30 HydrophobicContact CB-CE2 4.21Å; D26-Y30 WeakPolarHBondContact O-CD2 3.49Å; D26-Y30 VanDerWaalsContact O-CG 3.31Å; D26-Y30 PolarHBondContact O-N 2.91Å; I27-Y30 PolarHBondContact O-N 3.4Å; Y30-H32 VanDerWaalsContact C-N 3.33Å; Y30-H32 PolarHBondContact O-N 3.45Å; Y30-S33 WeakPolarHBondContact O-CB 3.45Å; Y30-S33 PolarHBondContact O-N 3.01Å; Y30-L34 WeakPolarHBondContact O-CG 3.43Å; Y30-L34 PolarHBondContact O-N 3.23Å; Y30-L34 VanDerWaalsContact O-N 3.13Å |
| 31 | K | 98.3 | Very high | 97.6 | Very high | 135 Ų | 135 | 109.4 Ų | 109.4 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -58.8 | -46 | 175.2 | -75.4 | 178.1 | 177.1 | -176 | 0 | 111.2 | I27 A28 S33 L34 | I27-K31 HydrophobicContact CG2-CD 4.18Å; I27-K31 HydrophobicContact CG2-CG 4.45Å; I27-K31 WeakPolarHBondContact O-CG 3.21Å; I27-K31 PolarHBondContact O-N 3.34Å; A28-K31 PolarHBondContact O-N 3.19Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-S33 PolarHBondContact O-N 3.08Å; K31-L34 WeakPolarHBondContact O-CB 3.49Å; K31-L34 PolarHBondContact O-N 3.21Å |
| 32 | H | 97.7 | Very high | 97.7 | Very high | 115 Ų | 115 | 109.1 Ų | 109.1 | 53% | 0.532 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -39.9 | 175.8 | -175.7 | 53.8 | 0 | 0 | 0 | 112.5 | A28 C29 Y30 L34 E35 | A28-H32 WeakPolarHBondContact O-CB 3.43Å; A28-H32 PolarHBondContact O-N 2.99Å; C29-H32 PolarHBondContact O-N 2.93Å; Y30-H32 VanDerWaalsContact C-N 3.33Å; Y30-H32 PolarHBondContact O-N 3.45Å; H32-L34 PolarHBondContact O-N 3.18Å; H32-E35 IonicContact ND1-OE2 3.34Å; H32-E35 PolarHBondContact ND1-OE2 3.39Å; H32-E35 WeakPolarHBondContact O-CB 3.42Å; H32-E35 PolarHBondContact O-N 3.44Å; H32-E35 VanDerWaalsContact O-N 3.08Å |
| 33 | S | 97.5 | Very high | 97.8 | Very high | 43 Ų | 43 | 108.9 Ų | 108.9 | 30% | 0.301 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -23.3 | 178.2 | -60.9 | 0 | 0 | 0 | 0 | 113.9 | C29 Y30 K31 R38 | C29-S33 WeakPolarHBondContact O-CB 3.35Å; C29-S33 PolarHBondContact O-N 2.84Å; C29-S33 PolarHBondContact O-OG 3.13Å; Y30-S33 WeakPolarHBondContact O-CB 3.45Å; Y30-S33 PolarHBondContact O-N 3.01Å; K31-S33 VanDerWaalsContact C-N 3.33Å; K31-S33 PolarHBondContact O-N 3.08Å; S33-R38 PolarHBondContact O-NH2 3.26Å |
| 34 | L | 97.5 | Very high | 97.8 | Very high | 139 Ų | 139 | 104.9 Ų | 104.9 | 73% | 0.728 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.8 | -26.9 | 174.6 | -69.1 | 171.7 | 0 | 0 | 0 | 112.4 | Y30 K31 H32 L36 | Y30-L34 WeakPolarHBondContact O-CG 3.43Å; Y30-L34 PolarHBondContact O-N 3.23Å; Y30-L34 VanDerWaalsContact O-N 3.13Å; K31-L34 WeakPolarHBondContact O-CB 3.49Å; K31-L34 PolarHBondContact O-N 3.21Å; H32-L34 PolarHBondContact O-N 3.18Å; L34-L36 PolarHBondContact O-N 3.03Å |
| 35 | E | 97.4 | Very high | 97.9 | Very high | 133 Ų | 133 | 103.3 Ų | 103.3 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -76 | -9.4 | 178.7 | -61.8 | 167.4 | 170.6 | 0 | 0 | 112.8 | H32 N37 | H32-E35 IonicContact ND1-OE2 3.34Å; H32-E35 PolarHBondContact ND1-OE2 3.39Å; H32-E35 WeakPolarHBondContact O-CB 3.42Å; H32-E35 PolarHBondContact O-N 3.44Å; H32-E35 VanDerWaalsContact O-N 3.08Å; E35-N37 PolarHBondContact O-N 3.34Å |
| 36 | L | 96.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 104.7 Ų | 104.7 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | trans | -66.7 | 118.9 | 180 | -63.4 | 177.6 | 0 | 0 | 0 | 111.9 | L34 R38 | L34-L36 PolarHBondContact O-N 3.03Å; L36-R38 PolarHBondContact O-N 3.37Å; L36-R38 PolarHBondContact O-NH1 3.17Å | ||
| 37 | N | 97 | Very high | 97.9 | Very high | 165 Ų | 165 | 104.7 Ų | 104.7 | 88% | 0.882 | 53% | 0.534 | S | S | * | . | trans | -73.5 | 102 | 169.5 | -68.5 | -49.8 | 0 | 0 | 0 | 110.2 | E35 | E35-N37 PolarHBondContact O-N 3.34Š| ||
| 38 | R | 96.8 | Very high | 97.9 | Very high | 177 Ų | 177 | 105.3 Ų | 105.3 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 137.3 | 179.5 | -66.8 | 169.4 | -176.8 | 71.8 | 0.9 | 110.4 | S33 L36 | S33-R38 PolarHBondContact O-NH2 3.26Å; L36-R38 PolarHBondContact O-N 3.37Å; L36-R38 PolarHBondContact O-NH1 3.17Å |
| 39 | I | 96.9 | Very high | 97.9 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 151.5 | 170.2 | 56.8 | 169 | 0 | 0 | 0 | 110.4 | L41 T44 | I39-L41 PolarHBondContact O-N 3.44Å; I39-T44 HydrophobicContact CD1-CG2 4.27Å; I39-T44 WeakPolarHBondContact CD1-OG1 3.29Å; I39-T44 VanDerWaalsContact CG1-OG1 3.29Å; I39-T44 WeakPolarHBondContact CG1-OG1 3.1Å |
| 40 | A | 98.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 107.9 Ų | 107.9 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 134.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S42 K43 T44 | A40-S42 PolarHBondContact O-N 2.87Å; A40-K43 HydrophobicContact CB-CB 4.46Å; A40-K43 WeakPolarHBondContact O-CA 3.28Å; A40-K43 WeakPolarHBondContact O-CB 3.47Å; A40-K43 PolarHBondContact O-N 3.25Å; A40-T44 PolarHBondContact O-N 3.25Å; A40-T44 PolarHBondContact O-OG1 2.91Å |
| 41 | L | 98.4 | Very high | 97.9 | Very high | 126 Ų | 126 | 108 Ų | 108 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -55.8 | -37.6 | -178.5 | 179.6 | 61.3 | 0 | 0 | 0 | 112.4 | I39 K43 T44 I45 | I39-L41 PolarHBondContact O-N 3.44Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 3.04Å; L41-T44 WeakPolarHBondContact O-CB 3.46Å; L41-T44 PolarHBondContact O-N 3.46Å; L41-I45 HydrophobicContact CD1-CD1 4.08Å; L41-I45 HydrophobicContact CD1-CG1 4.16Å; L41-I45 HydrophobicContact CD2-CD1 4.43Å; L41-I45 HydrophobicContact CG-CD1 3.81Å; L41-I45 HydrophobicContact CG-CG1 4.34Å; L41-I45 WeakPolarHBondContact O-CB 3.35Å; L41-I45 VanDerWaalsContact O-CG1 3.28Å; L41-I45 WeakPolarHBondContact O-CG1 3.45Å; L41-I45 PolarHBondContact O-N 3.17Å |
| 42 | S | 98.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 104.9 Ų | 104.9 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.1 | -40.1 | 175 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | A40 W46 | A40-S42 PolarHBondContact O-N 2.87Å; S42-W46 WeakPolarHBondContact O-CB 3.32Å; S42-W46 PolarHBondContact O-N 3.4Å |
| 43 | K | 98.4 | Very high | 97.9 | Very high | 98 Ų | 98 | 106 Ų | 106 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -44.7 | 175.5 | -177 | 59.9 | 167.7 | 77.3 | 0 | 111 | A40 L41 I45 W46 D47 | A40-K43 HydrophobicContact CB-CB 4.46Å; A40-K43 WeakPolarHBondContact O-CA 3.28Å; A40-K43 WeakPolarHBondContact O-CB 3.47Å; A40-K43 PolarHBondContact O-N 3.25Å; L41-K43 VanDerWaalsContact C-N 3.3Å; L41-K43 PolarHBondContact O-N 3.04Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 PolarHBondContact O-N 3.35Å; K43-W46 PolarHBondContact O-N 2.85Å; K43-D47 IonicContact NZ-OD1 2.6Å; K43-D47 PolarHBondContact NZ-OD1 3.47Å; K43-D47 IonicContact NZ-OD2 2.7Å; K43-D47 PolarHBondContact NZ-OD2 3.48Å; K43-D47 PolarHBondContact O-N 3.48Å |
| 44 | T | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 109 Ų | 109 | 24% | 0.239 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 175.7 | -48.3 | 0 | 0 | 0 | 0 | 111.6 | I39 A40 L41 W46 D47 I48 | I39-T44 HydrophobicContact CD1-CG2 4.27Å; I39-T44 WeakPolarHBondContact CD1-OG1 3.29Å; I39-T44 VanDerWaalsContact CG1-OG1 3.29Å; I39-T44 WeakPolarHBondContact CG1-OG1 3.1Å; A40-T44 PolarHBondContact O-N 3.25Å; A40-T44 PolarHBondContact O-OG1 2.91Å; L41-T44 WeakPolarHBondContact O-CB 3.46Å; L41-T44 PolarHBondContact O-N 3.46Å; T44-W46 VanDerWaalsContact C-N 3.34Å; T44-W46 PolarHBondContact O-N 3.4Å; T44-D47 PolarHBondContact O-N 3.49Å; T44-I48 HydrophobicContact CG2-CD1 3.95Å; T44-I48 WeakPolarHBondContact O-CG1 3.11Å; T44-I48 PolarHBondContact O-N 2.98Å |
| 45 | I | 98.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 178.1 | -70.3 | 167.9 | 0 | 0 | 0 | 110.4 | L41 K43 D47 I48 R49 | L41-I45 HydrophobicContact CD1-CD1 4.08Å; L41-I45 HydrophobicContact CD1-CG1 4.16Å; L41-I45 HydrophobicContact CD2-CD1 4.43Å; L41-I45 HydrophobicContact CG-CD1 3.81Å; L41-I45 HydrophobicContact CG-CG1 4.34Å; L41-I45 WeakPolarHBondContact O-CB 3.35Å; L41-I45 VanDerWaalsContact O-CG1 3.28Å; L41-I45 WeakPolarHBondContact O-CG1 3.45Å; L41-I45 PolarHBondContact O-N 3.17Å; K43-I45 VanDerWaalsContact C-N 3.34Å; K43-I45 PolarHBondContact O-N 3.35Å; I45-D47 VanDerWaalsContact C-N 3.35Å; I45-D47 PolarHBondContact O-N 2.97Å; I45-I48 PolarHBondContact O-N 3.26Å; I45-R49 WeakPolarHBondContact O-CB 3.36Å; I45-R49 PolarHBondContact O-N 2.7Å |
| 46 | W | 98.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 100.3 Ų | 100.3 | 54% | 0.538 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178.7 | -174.2 | 94.7 | 0 | 0 | 0 | 112 | S42 K43 T44 R49 N50 | S42-W46 WeakPolarHBondContact O-CB 3.32Å; S42-W46 PolarHBondContact O-N 3.4Å; K43-W46 PolarHBondContact O-N 2.85Å; T44-W46 VanDerWaalsContact C-N 3.34Å; T44-W46 PolarHBondContact O-N 3.4Å; W46-R49 PolarHBondContact O-N 3.21Å; W46-N50 WeakPolarHBondContact CH2-ND2 3.37Å; W46-N50 WeakPolarHBondContact CZ2-ND2 3.39Å; W46-N50 WeakPolarHBondContact CZ3-ND2 3.19Å; W46-N50 WeakPolarHBondContact O-CB 3.3Å; W46-N50 VanDerWaalsContact O-CG 3.24Å; W46-N50 PolarHBondContact O-N 3.13Å |
| 47 | D | 98.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 103.6 Ų | 103.6 | 32% | 0.321 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 177.8 | -72.5 | -27.4 | 0 | 0 | 0 | 111.8 | K43 T44 I45 R49 N50 Y51 | K43-D47 IonicContact NZ-OD1 2.6Å; K43-D47 PolarHBondContact NZ-OD1 3.47Å; K43-D47 IonicContact NZ-OD2 2.7Å; K43-D47 PolarHBondContact NZ-OD2 3.48Å; K43-D47 PolarHBondContact O-N 3.48Å; T44-D47 PolarHBondContact O-N 3.49Å; I45-D47 VanDerWaalsContact C-N 3.35Å; I45-D47 PolarHBondContact O-N 2.97Å; D47-R49 PolarHBondContact O-N 3.02Å; D47-N50 PolarHBondContact O-N 3.37Å; D47-Y51 WeakPolarHBondContact O-CB 3.26Å; D47-Y51 PolarHBondContact O-N 3.42Å |
| 48 | I | 98.5 | Very high | 97.8 | Very high | 102 Ų | 102 | 101.7 Ų | 101.7 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 176.4 | -68.2 | 168.6 | 0 | 0 | 0 | 110.1 | T44 I45 N50 Y51 C52 | T44-I48 HydrophobicContact CG2-CD1 3.95Å; T44-I48 WeakPolarHBondContact O-CG1 3.11Å; T44-I48 PolarHBondContact O-N 2.98Å; I45-I48 PolarHBondContact O-N 3.26Å; I48-N50 PolarHBondContact O-N 3.32Å; I48-Y51 PolarHBondContact O-N 2.89Å; I48-C52 PolarHBondContact O-N 3.47Å; I48-C52 PolarHBondContact O-SG 2.7Å; I48-C52 VanDerWaalsContact O-SG 3.35Å |
| 49 | R | 98.2 | Very high | 97.7 | Very high | 138 Ų | 138 | 96.1 Ų | 96.1 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -53.5 | -53.8 | 178.7 | 177.4 | 176.4 | 179.4 | -99.3 | 2.3 | 110.6 | I45 W46 D47 Y51 C52 F53 | I45-R49 WeakPolarHBondContact O-CB 3.36Å; I45-R49 PolarHBondContact O-N 2.7Å; W46-R49 PolarHBondContact O-N 3.21Å; D47-R49 PolarHBondContact O-N 3.02Å; R49-Y51 VanDerWaalsContact C-N 3.33Å; R49-Y51 PolarHBondContact O-N 3.25Å; R49-C52 PolarHBondContact O-N 3.44Å; R49-F53 HydrophobicContact CG-CD2 3.56Å; R49-F53 HydrophobicContact CG-CE2 3.58Å; R49-F53 WeakPolarHBondContact O-CD2 3.15Å; R49-F53 PolarHBondContact O-N 2.91Å |
| 50 | N | 98.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 94.6 Ų | 94.6 | 23% | 0.225 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | -177.1 | -74.7 | -6.8 | 0 | 0 | 0 | 112.4 | W46 D47 I48 C52 F53 T54 | W46-N50 WeakPolarHBondContact CH2-ND2 3.37Å; W46-N50 WeakPolarHBondContact CZ2-ND2 3.39Å; W46-N50 WeakPolarHBondContact CZ3-ND2 3.19Å; W46-N50 WeakPolarHBondContact O-CB 3.3Å; W46-N50 VanDerWaalsContact O-CG 3.24Å; W46-N50 PolarHBondContact O-N 3.13Å; D47-N50 PolarHBondContact O-N 3.37Å; I48-N50 PolarHBondContact O-N 3.32Å; N50-C52 VanDerWaalsContact C-N 3.35Å; N50-F53 PolarHBondContact O-N 2.91Å; N50-T54 VanDerWaalsContact O-CB 3.26Å; N50-T54 WeakPolarHBondContact O-CB 3.45Å; N50-T54 PolarHBondContact O-N 2.87Å; N50-T54 PolarHBondContact O-OG1 3.23Å |
| 51 | Y | 98.6 | Very high | 97.5 | Very high | 162 Ų | 162 | 99.3 Ų | 99.3 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -48.3 | 174.5 | -179 | -94.3 | 0 | 0 | 0 | 110.9 | D47 I48 R49 N55 | D47-Y51 WeakPolarHBondContact O-CB 3.26Å; D47-Y51 PolarHBondContact O-N 3.42Å; I48-Y51 PolarHBondContact O-N 2.89Å; R49-Y51 VanDerWaalsContact C-N 3.33Å; R49-Y51 PolarHBondContact O-N 3.25Å; Y51-N55 PolarHBondContact O-N 2.79Å; Y51-N55 PolarHBondContact O-ND2 3.19Å |
| 52 | C | 98.2 | Very high | 97.3 | Very high | 70 Ų | 70 | 98.9 Ų | 98.9 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 177.4 | -67.2 | 0 | 0 | 0 | 0 | 112 | I48 R49 N50 T54 N55 A56 | I48-C52 PolarHBondContact O-N 3.47Å; I48-C52 PolarHBondContact O-SG 2.7Å; I48-C52 VanDerWaalsContact O-SG 3.35Å; R49-C52 PolarHBondContact O-N 3.44Å; N50-C52 VanDerWaalsContact C-N 3.35Å; C52-T54 PolarHBondContact O-N 2.96Å; C52-N55 PolarHBondContact O-N 3.44Å; C52-A56 WeakPolarHBondContact O-CB 3.35Å; C52-A56 PolarHBondContact O-N 2.93Å |
| 53 | F | 97.1 | Very high | 97.1 | Very high | 140 Ų | 140 | 97.4 Ų | 97.4 | 61% | 0.614 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -35.8 | -177.9 | -80.3 | -71.8 | 0 | 0 | 0 | 113.3 | R49 N50 N55 | R49-F53 HydrophobicContact CG-CD2 3.56Å; R49-F53 HydrophobicContact CG-CE2 3.58Å; R49-F53 WeakPolarHBondContact O-CD2 3.15Å; R49-F53 PolarHBondContact O-N 2.91Å; N50-F53 PolarHBondContact O-N 2.91Å; F53-N55 VanDerWaalsContact C-N 3.3Å; F53-N55 PolarHBondContact O-N 3.38Å |
| 54 | T | 98 | Very high | 96.7 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -36 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | N50 C52 | N50-T54 VanDerWaalsContact O-CB 3.26Å; N50-T54 WeakPolarHBondContact O-CB 3.45Å; N50-T54 PolarHBondContact O-N 2.87Å; N50-T54 PolarHBondContact O-OG1 3.23Å; C52-T54 PolarHBondContact O-N 2.96Å |
| 55 | N | 97.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 98.6 Ų | 98.6 | 32% | 0.321 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -99.5 | -9.1 | -174.2 | -66.7 | -76.5 | 0 | 0 | 0 | 114.2 | Y51 C52 F53 Q57 N58 D59 | Y51-N55 PolarHBondContact O-N 2.79Å; Y51-N55 PolarHBondContact O-ND2 3.19Å; C52-N55 PolarHBondContact O-N 3.44Å; F53-N55 VanDerWaalsContact C-N 3.3Å; F53-N55 PolarHBondContact O-N 3.38Å; N55-Q57 PolarHBondContact O-N 2.6Å; N55-Q57 VanDerWaalsContact O-N 3.1Å; N55-N58 PolarHBondContact O-N 3.47Å; N55-D59 PolarHBondContact O-N 2.82Å |
| 56 | A | 96.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 104.6 Ų | 104.6 | 23% | 0.231 | 53% | 0.526 | C | S | . | . | G | 310 helix | trans | -55.1 | -33.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | C52 N58 D59 L62 C63 | C52-A56 WeakPolarHBondContact O-CB 3.35Å; C52-A56 PolarHBondContact O-N 2.93Å; A56-N58 VanDerWaalsContact C-N 3.26Å; A56-N58 PolarHBondContact O-N 3.15Å; A56-D59 PolarHBondContact O-N 2.75Å; A56-L62 HydrophobicContact CB-CD1 4.23Å; A56-C63 PolarHBondContact O-SG 3.1Å |
| 57 | Q | 95 | Very high | 95.2 | Very high | 161 Ų | 161 | 105 Ų | 105 | 75% | 0.752 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -70.6 | -22.8 | 178.6 | -65.9 | -174.8 | -3 | 0 | 0 | 113.5 | N55 C63 | N55-Q57 PolarHBondContact O-N 2.6Å; N55-Q57 VanDerWaalsContact O-N 3.1Å; Q57-C63 WeakPolarHBondContact O-CB 3.22Å |
| 58 | N | 94.8 | Very high | 94.7 | Very high | 126 Ų | 126 | 105.1 Ų | 105.1 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -95 | -7.6 | -179.1 | -62.6 | -36.1 | 0 | 0 | 0 | 112.6 | N55 A56 P60 | N55-N58 PolarHBondContact O-N 3.47Å; A56-N58 VanDerWaalsContact C-N 3.26Å; A56-N58 PolarHBondContact O-N 3.15Å; N58-P60 WeakPolarHBondContact O-CD 2.92Å |
| 59 | D | 96.4 | Very high | 94.3 | Very high | 60 Ų | 60 | 105.5 Ų | 105.5 | 32% | 0.321 | 55% | 0.549 | S | S | . | . | trans | -77.8 | 111.8 | 176.9 | -176.6 | -25.7 | 0 | 0 | 0 | 109.2 | N55 A56 L61 L62 C63 | N55-D59 PolarHBondContact O-N 2.82Å; A56-D59 PolarHBondContact O-N 2.75Å; D59-L61 PolarHBondContact O-N 3.36Å; D59-L61 VanDerWaalsContact O-N 3.15Å; D59-L61 WeakPolarHBondContact OD1-CA 3Å; D59-L61 VanDerWaalsContact OD1-CB 3.3Å; D59-L61 WeakPolarHBondContact OD1-CB 3.41Å; D59-L61 PolarHBondContact OD1-N 3.44Å; D59-L62 HydrophobicContact CB-CB 4.03Å; D59-L62 HydrophobicContact CB-CD1 3.98Å; D59-L62 HydrophobicContact CB-CG 4.04Å; D59-L62 PolarHBondContact O-N 2.91Å; D59-L62 VanDerWaalsContact O-N 3.13Å; D59-L62 PolarHBondContact OD1-N 3.42Å; D59-C63 WeakPolarHBondContact O-CA 3.36Å; D59-C63 PolarHBondContact O-N 3.46Å | ||
| 60 | P | 94.7 | Very high | 93.8 | Very high | 78 Ų | 78 | 108.8 Ų | 108.8 | 51% | 0.506 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.8 | -16.1 | -178.4 | -21.4 | 36 | 0 | 0 | 0 | 113.9 | N58 P64 P65 | N58-P60 WeakPolarHBondContact O-CD 2.92Å; P60-P64 VanDerWaalsContact O-CA 3.22Å; P60-P64 WeakPolarHBondContact O-CA 3.2Å; P60-P65 HydrophobicContact CB-CG 4.41Å |
| 61 | L | 94.5 | Very high | 93.1 | Very high | 160 Ų | 160 | 112.5 Ų | 112.5 | 84% | 0.838 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -30.2 | 176.2 | -57.8 | 179.1 | 0 | 0 | 0 | 111.5 | D59 | D59-L61 PolarHBondContact O-N 3.36Å; D59-L61 VanDerWaalsContact O-N 3.15Å; D59-L61 WeakPolarHBondContact OD1-CA 3Å; D59-L61 VanDerWaalsContact OD1-CB 3.3Å; D59-L61 WeakPolarHBondContact OD1-CB 3.41Å; D59-L61 PolarHBondContact OD1-N 3.44Å |
| 62 | L | 95.5 | Very high | 92.3 | Very high | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -39 | 173 | -61.5 | 177.8 | 0 | 0 | 0 | 112.3 | A56 D59 | A56-L62 HydrophobicContact CB-CD1 4.23Å; D59-L62 HydrophobicContact CB-CB 4.03Å; D59-L62 HydrophobicContact CB-CD1 3.98Å; D59-L62 HydrophobicContact CB-CG 4.04Å; D59-L62 PolarHBondContact O-N 2.91Å; D59-L62 VanDerWaalsContact O-N 3.13Å; D59-L62 PolarHBondContact OD1-N 3.42Å |
| 63 | C | 93.7 | Very high | 91.3 | Very high | 62 Ų | 62 | 116 Ų | 116 | 42% | 0.419 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -124.3 | 79.3 | -179.2 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | A56 Q57 D59 | A56-C63 PolarHBondContact O-SG 3.1Å; Q57-C63 WeakPolarHBondContact O-CB 3.22Å; D59-C63 WeakPolarHBondContact O-CA 3.36Å; D59-C63 PolarHBondContact O-N 3.46Å |
| 64 | P | 91 | Very high | 90.2 | Very high | 98 Ų | 98 | 120.7 Ų | 120.7 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | trans | -59.6 | 126.1 | -174.6 | -26.4 | 35.8 | 0 | 0 | 0 | 113.7 | P60 | P60-P64 VanDerWaalsContact O-CA 3.22Å; P60-P64 WeakPolarHBondContact O-CA 3.2Å | ||
| 65 | P | 90.6 | Very high | 89.3 | Confident | 63 Ų | 63 | 121 Ų | 121 | 41% | 0.409 | 62% | 0.624 | S | S | . | * | trans | -69.8 | 151.5 | 178.5 | 28.2 | -34.4 | 0 | 0 | 0 | 111.2 | P60 D67 | P60-P65 HydrophobicContact CB-CG 4.41Å; P65-D67 VanDerWaalsContact C-N 3.26Å; P65-D67 PolarHBondContact O-N 3.47Å | ||
| 66 | R | 86.1 | Confident | 88.3 | Confident | 223 Ų | 223 | 123.7 Ų | 123.7 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -34.8 | 172 | -71.6 | -172.5 | 177.4 | -170.4 | 0.5 | 111.5 | N68 K71 | R66-N68 VanDerWaalsContact C-N 3.3Å; R66-N68 PolarHBondContact O-N 3.36Å; R66-K71 WeakPolarHBondContact O-CE 3.3Å; R66-K71 PolarHBondContact O-NZ 2.91Å |
| 67 | D | 86.9 | Confident | 87.5 | Confident | 151 Ų | 151 | 127.9 Ų | 127.9 | 81% | 0.807 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 50 | -177 | -55.2 | -39 | 0 | 0 | 0 | 111.4 | P65 P69 | P65-D67 VanDerWaalsContact C-N 3.26Å; P65-D67 PolarHBondContact O-N 3.47Å; D67-P69 VanDerWaalsContact O-CD 3.3Å; D67-P69 WeakPolarHBondContact O-CD 3.48Å |
| 68 | N | 87.8 | Confident | 86.5 | Confident | 61 Ų | 61 | 126.6 Ų | 126.6 | 33% | 0.326 | 67% | 0.672 | S | S | . | * | trans | -66 | 117 | 174.3 | 176.2 | -8.2 | 0 | 0 | 0 | 109.3 | R66 Y70 K71 | R66-N68 VanDerWaalsContact C-N 3.3Å; R66-N68 PolarHBondContact O-N 3.36Å; N68-Y70 PolarHBondContact O-N 3.24Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.5Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.33Å; N68-Y70 PolarHBondContact OD1-N 3.26Å; N68-K71 HydrophobicContact CB-CD 4.23Å; N68-K71 HydrophobicContact CB-CG 3.99Å; N68-K71 WeakPolarHBondContact O-CB 3.39Å; N68-K71 WeakPolarHBondContact O-CG 3.4Å; N68-K71 PolarHBondContact O-N 3.18Å; N68-K71 VanDerWaalsContact O-N 3.11Å | ||
| 69 | P | 89.1 | Confident | 85.3 | Confident | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -16.7 | -175.6 | 28.9 | -36.2 | 0 | 0 | 0 | 113.2 | D67 K71 | D67-P69 VanDerWaalsContact O-CD 3.3Å; D67-P69 WeakPolarHBondContact O-CD 3.48Å; P69-K71 VanDerWaalsContact C-N 3.33Å |
| 70 | Y | 89.1 | Confident | 84.8 | Confident | 207 Ų | 207 | 134.9 Ų | 134.9 | 81% | 0.812 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 5.1 | 177.4 | -53.7 | -73 | 0 | 0 | 0 | 113.3 | N68 S72 | N68-Y70 PolarHBondContact O-N 3.24Å; N68-Y70 WeakPolarHBondContact OD1-CB 3.5Å; N68-Y70 WeakPolarHBondContact OD1-CD2 3.33Å; N68-Y70 PolarHBondContact OD1-N 3.26Å; Y70-S72 PolarHBondContact O-N 3.11Å |
| 71 | K | 82.6 | Confident | 84.3 | Confident | 119 Ų | 119 | 137.9 Ų | 137.9 | 52% | 0.517 | 73% | 0.725 | S | S | . | * | S | Bend | trans | -62.8 | 135.6 | 173.8 | -78.8 | 177.1 | 175.4 | -170.2 | 0 | 110.3 | R66 N68 P69 Q73 | R66-K71 WeakPolarHBondContact O-CE 3.3Å; R66-K71 PolarHBondContact O-NZ 2.91Å; N68-K71 HydrophobicContact CB-CD 4.23Å; N68-K71 HydrophobicContact CB-CG 3.99Å; N68-K71 WeakPolarHBondContact O-CB 3.39Å; N68-K71 WeakPolarHBondContact O-CG 3.4Å; N68-K71 PolarHBondContact O-N 3.18Å; N68-K71 VanDerWaalsContact O-N 3.11Å; P69-K71 VanDerWaalsContact C-N 3.33Å; K71-Q73 PolarHBondContact O-N 3.25Å |
| 72 | S | 82.2 | Confident | 83.7 | Confident | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56 | 124.7 | 170 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | Y70 R74 | Y70-S72 PolarHBondContact O-N 3.11Å; S72-R74 PolarHBondContact O-N 2.65Å |
| 73 | Q | 78 | Confident | 83 | Confident | 196 Ų | 196 | 137.9 Ų | 137.9 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 124.1 | 174.1 | -64.7 | -172.2 | 1.7 | 0 | 0 | 108.9 | K71 S75 | K71-Q73 PolarHBondContact O-N 3.25Å; Q73-S75 PolarHBondContact O-N 3.45Å |
| 74 | R | 74.5 | Confident | 82.3 | Confident | 240 Ų | 240 | 142.6 Ų | 142.6 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 119.6 | 173 | -68.3 | -173.1 | 178.7 | -169.2 | -0.8 | 108 | S72 C76 | S72-R74 PolarHBondContact O-N 2.65Å; R74-C76 PolarHBondContact O-N 3.34Å |
| 75 | S | 78.7 | Confident | 81.7 | Confident | 112 Ų | 112 | 145.6 Ų | 145.6 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.4 | 165.3 | 55.9 | 0 | 0 | 0 | 0 | 108.6 | Q73 | Q73-S75 PolarHBondContact O-N 3.45Š|
| 76 | C | 76.8 | Confident | 81.1 | Confident | 116 Ų | 116 | 151.5 Ų | 151.5 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 121.3 | 166.8 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | R74 | R74-C76 PolarHBondContact O-N 3.34Š|
| 77 | T | 78.9 | Confident | 80.7 | Confident | 116 Ų | 116 | 146 Ų | 146 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | -107.9 | 118.9 | 168.7 | -53.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 78 | V | 75 | Confident | 80.2 | Confident | 134 Ų | 134 | 145.6 Ų | 145.6 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -81.4 | 116.4 | 169.1 | -176.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 79 | I | 70.1 | Confident | 79.5 | Confident | 226 Ų | 226 | 153.3 Ų | 153.3 | 100% | 1.159 | 81% | 0.808 | S | S | * | * | trans | -86.8 | 0 | 170 | -58.4 | 175.8 | 0 | 0 | 0 | 108.2 |
Retrieved 79 of 79 residues in 16 ms
(Link to these results)