| 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 | 34.3 | Very low | 38 | Very low | 248 Ų | 248 | 152.5 Ų | 152.5 | 100% | 1.222 | 79% | 0.793 | S | S | * | * | 0 | 108.5 | 0 | -64.5 | -175.7 | 179.7 | 0 | 0 | 106.6 | |||||
| 2 | S | 38 | Very low | 38.4 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -75 | 122.7 | -172.4 | -75 | 0 | 0 | 0 | 0 | 110.9 | S4 | S2-S4 PolarHBondContact O-N 3.05Å; S2-S4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | F | 36.7 | Very low | 39 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 8.7 | 179.3 | -141.4 | -97.8 | 0 | 0 | 0 | 113.5 | ||
| 4 | S | 42.8 | Very low | 39.6 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -18.3 | -170.7 | -67.4 | 0 | 0 | 0 | 0 | 114.8 | S2 | S2-S4 PolarHBondContact O-N 3.05Å; S2-S4 VanDerWaalsContact O-N 3.1Å |
| 5 | E | 40.5 | Very low | 40.7 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -91.8 | -14.1 | -174.9 | -85.6 | -174.4 | 78.4 | 0 | 0 | 114.6 | ||
| 6 | Q | 40.5 | Very low | 41.4 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -8.2 | -174.8 | -112.3 | 121.9 | 86.4 | 0 | 0 | 115 | ||
| 7 | Q | 38 | Very low | 41.9 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -5.3 | -176.8 | -66.4 | -131.8 | 16.7 | 0 | 0 | 114.8 | K9 | Q7-K9 PolarHBondContact O-N 3.19Š|
| 8 | C | 37.9 | Very low | 42.5 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 83% | 0.831 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 12.3 | -179.7 | -96.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 9 | K | 36 | Very low | 43.2 | Very low | 199 Ų | 199 | 124.3 Ų | 124.3 | 87% | 0.865 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 4 | -179.4 | -70.8 | 178.4 | -179.6 | -77.7 | 0 | 114.4 | Q7 | Q7-K9 PolarHBondContact O-N 3.19Š|
| 10 | Q | 37.2 | Very low | 43.8 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -79.2 | 131.9 | 164.8 | -90.9 | -79.9 | -44.8 | 0 | 0 | 107.4 | C12 | Q10-C12 VanDerWaalsContact C-N 3.35Å; Q10-C12 PolarHBondContact O-N 2.72Å |
| 11 | P | 36.3 | Very low | 44.3 | Very low | 101 Ų | 101 | 122.5 Ų | 122.5 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | trans | -57.4 | 107.7 | 167.3 | 24.2 | -29.4 | 0 | 0 | 0 | 105.7 | V13 | P11-V13 WeakPolarHBondContact O-CG2 2.96Å; P11-V13 PolarHBondContact O-N 3.2Å | ||
| 12 | C | 42.1 | Very low | 45.4 | Very low | 117 Ų | 117 | 114.6 Ų | 114.6 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | trans | -63.7 | 88.3 | 178.3 | -74.7 | 0 | 0 | 0 | 0 | 107.3 | Q10 P14 | Q10-C12 VanDerWaalsContact C-N 3.35Å; Q10-C12 PolarHBondContact O-N 2.72Å; C12-P14 WeakPolarHBondContact O-CD 3.3Å | ||
| 13 | V | 46.8 | Very low | 46.3 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 74% | 0.739 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 117.7 | 167.3 | -123.8 | 0 | 0 | 0 | 0 | 105 | P11 | P11-V13 WeakPolarHBondContact O-CG2 2.96Å; P11-V13 PolarHBondContact O-N 3.2Å |
| 14 | P | 47.5 | Very low | 47.2 | Very low | 59 Ų | 59 | 114 Ų | 114 | 38% | 0.383 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 134.5 | -177.2 | 19.1 | -29 | 0 | 0 | 0 | 108.7 | C12 L18 Q19 | C12-P14 WeakPolarHBondContact O-CD 3.3Å; P14-L18 HydrophobicContact CB-CB 4.08Å; P14-Q19 HydrophobicContact CG-CG 4.17Å |
| 15 | P | 55.4 | Low | 47.7 | Very low | 67 Ų | 67 | 110.2 Ų | 110.2 | 44% | 0.435 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 152.3 | -179 | 23.1 | -33.1 | 0 | 0 | 0 | 110.1 | C17 L18 Q19 | P15-C17 PolarHBondContact O-N 3.17Å; P15-L18 HydrophobicContact CG-CB 4.19Å; P15-L18 HydrophobicContact CG-CD1 3.66Å; P15-L18 HydrophobicContact CG-CG 4.41Å; P15-L18 WeakPolarHBondContact O-CA 3.18Å; P15-L18 VanDerWaalsContact O-CB 3.29Å; P15-L18 WeakPolarHBondContact O-CB 3.24Å; P15-L18 PolarHBondContact O-N 3.2Å; P15-Q19 PolarHBondContact O-N 3.32Å |
| 16 | P | 53.1 | Low | 48.3 | Very low | 112 Ų | 112 | 107.4 Ų | 107.4 | 73% | 0.727 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.9 | -21.6 | -173.7 | 18.1 | -29.8 | 0 | 0 | 0 | 114.3 | L18 K20 | P16-L18 VanDerWaalsContact C-N 3.33Å; P16-K20 PolarHBondContact O-N 3.39Å |
| 17 | C | 49.6 | Very low | 48.9 | Very low | 59 Ų | 59 | 101.5 Ų | 101.5 | 40% | 0.399 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -39 | 170.7 | 85.1 | 0 | 0 | 0 | 0 | 112.3 | P15 T21 C109 | P15-C17 PolarHBondContact O-N 3.17Å; C17-T21 WeakPolarHBondContact O-CB 3.05Å; C17-T21 PolarHBondContact O-N 3.27Å; C17-T21 PolarHBondContact O-OG1 2.68Å; C17-C109 WeakPolarHBondContact CB-SG 3.44Å; C17-C109 WeakPolarHBondContact SG-CB 3.39Å; C17-C109 CovalentContact SG-SG 2.09Å; C17-C109 PolarHBondContact SG-SG 3.36Å |
| 18 | L | 52.6 | Low | 49.6 | Very low | 59 Ų | 59 | 101 Ų | 101 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -73.8 | -41.6 | -178.8 | -103.6 | 154 | 0 | 0 | 0 | 110.3 | P14 P15 P16 Q22 V105 | P14-L18 HydrophobicContact CB-CB 4.08Å; P15-L18 HydrophobicContact CG-CB 4.19Å; P15-L18 HydrophobicContact CG-CD1 3.66Å; P15-L18 HydrophobicContact CG-CG 4.41Å; P15-L18 WeakPolarHBondContact O-CA 3.18Å; P15-L18 VanDerWaalsContact O-CB 3.29Å; P15-L18 WeakPolarHBondContact O-CB 3.24Å; P15-L18 PolarHBondContact O-N 3.2Å; P16-L18 VanDerWaalsContact C-N 3.33Å; L18-Q22 WeakPolarHBondContact O-CA 3.49Å; L18-Q22 WeakPolarHBondContact O-CB 3.17Å; L18-Q22 PolarHBondContact O-N 2.09Å; L18-V105 HydrophobicContact CD2-CB 4.43Å; L18-V105 HydrophobicContact CD2-CG1 3.43Å; L18-V105 VanDerWaalsContact CD2-CG1 3.43Å; L18-V105 HydrophobicContact CG-CG1 4.1Å |
| 19 | Q | 55.3 | Low | 50.3 | Low | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 176.4 | -85.5 | -97.8 | -77.6 | 0 | 0 | 112.8 | P14 P15 T21 Q22 E23 | P14-Q19 HydrophobicContact CG-CG 4.17Å; P15-Q19 PolarHBondContact O-N 3.32Å; Q19-T21 VanDerWaalsContact C-N 3.29Å; Q19-T21 PolarHBondContact O-N 3.26Å; Q19-Q22 WeakPolarHBondContact O-CB 3.31Å; Q19-Q22 PolarHBondContact O-N 2.98Å; Q19-Q22 VanDerWaalsContact O-N 3.16Å; Q19-E23 PolarHBondContact O-N 3.38Å |
| 20 | K | 54.9 | Low | 51 | Low | 165 Ų | 165 | 91.9 Ų | 91.9 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -33.6 | -176.3 | -153.1 | -179.5 | 179.6 | -178.4 | 0 | 112.7 | P16 Q24 | P16-K20 PolarHBondContact O-N 3.39Å; K20-Q24 PolarHBondContact O-N 3.32Å |
| 21 | T | 55.3 | Low | 51.8 | Low | 46 Ų | 46 | 92 Ų | 92 | 28% | 0.282 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -80.1 | -30.5 | 176.8 | -43.5 | 0 | 0 | 0 | 0 | 111.3 | C17 Q19 Q24 C25 V105 | C17-T21 WeakPolarHBondContact O-CB 3.05Å; C17-T21 PolarHBondContact O-N 3.27Å; C17-T21 PolarHBondContact O-OG1 2.68Å; Q19-T21 VanDerWaalsContact C-N 3.29Å; Q19-T21 PolarHBondContact O-N 3.26Å; T21-Q24 PolarHBondContact O-N 3.36Å; T21-C25 VanDerWaalsContact O-CB 3.22Å; T21-C25 WeakPolarHBondContact O-CB 3.17Å; T21-C25 PolarHBondContact O-N 3.05Å; T21-V105 HydrophobicContact CG2-CB 4.39Å; T21-V105 HydrophobicContact CG2-CG1 4.04Å; T21-V105 HydrophobicContact CG2-CG2 3.72Å |
| 22 | Q | 56.3 | Low | 52.5 | Low | 82 Ų | 82 | 91.4 Ų | 91.4 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 172.3 | 176.7 | -174.4 | 61 | 0 | 0 | 111.3 | L18 Q19 C25 Q26 | L18-Q22 WeakPolarHBondContact O-CA 3.49Å; L18-Q22 WeakPolarHBondContact O-CB 3.17Å; L18-Q22 PolarHBondContact O-N 2.09Å; Q19-Q22 WeakPolarHBondContact O-CB 3.31Å; Q19-Q22 PolarHBondContact O-N 2.98Å; Q19-Q22 VanDerWaalsContact O-N 3.16Å; Q22-C25 PolarHBondContact O-N 3.26Å; Q22-Q26 WeakPolarHBondContact O-CB 3.48Å; Q22-Q26 WeakPolarHBondContact O-CG 3.42Å; Q22-Q26 PolarHBondContact O-N 3.04Å |
| 23 | E | 57 | Low | 52.9 | Low | 123 Ų | 123 | 86.8 Ų | 86.8 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 173.4 | -80.1 | 177.2 | 78.8 | 0 | 0 | 111.6 | Q19 C25 Q26 G27 | Q19-E23 PolarHBondContact O-N 3.38Å; E23-C25 VanDerWaalsContact C-N 3.3Å; E23-C25 PolarHBondContact O-N 3.49Å; E23-Q26 PolarHBondContact O-N 3.49Å; E23-G27 PolarHBondContact O-N 2.82Å |
| 24 | Q | 55.3 | Low | 53.1 | Low | 141 Ų | 141 | 84.3 Ų | 84.3 | 66% | 0.659 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.4 | -34.2 | 177.6 | -166.9 | 177.9 | 82 | 0 | 0 | 112.2 | K20 T21 K28 | K20-Q24 PolarHBondContact O-N 3.32Å; T21-Q24 PolarHBondContact O-N 3.36Å; Q24-K28 PolarHBondContact O-N 3.46Å |
| 25 | C | 53.4 | Low | 53.4 | Low | 26 Ų | 26 | 84.7 Ų | 84.7 | 18% | 0.176 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -70.5 | -47 | 174.6 | -163.1 | 0 | 0 | 0 | 0 | 111.1 | T21 Q22 E23 G27 K28 A29 C101 V105 | T21-C25 VanDerWaalsContact O-CB 3.22Å; T21-C25 WeakPolarHBondContact O-CB 3.17Å; T21-C25 PolarHBondContact O-N 3.05Å; Q22-C25 PolarHBondContact O-N 3.26Å; E23-C25 VanDerWaalsContact C-N 3.3Å; E23-C25 PolarHBondContact O-N 3.49Å; C25-G27 VanDerWaalsContact C-N 3.33Å; C25-G27 PolarHBondContact O-N 2.9Å; C25-K28 PolarHBondContact O-N 3.45Å; C25-A29 WeakPolarHBondContact O-CB 3.41Å; C25-A29 PolarHBondContact O-N 2.97Å; C25-C101 HydrophobicContact CB-CB 4.05Å; C25-C101 WeakPolarHBondContact CB-SG 3.26Å; C25-C101 PolarHBondContact O-SG 3.32Å; C25-C101 WeakPolarHBondContact SG-CA 3.38Å; C25-C101 WeakPolarHBondContact SG-CB 2.94Å; C25-C101 CovalentContact SG-SG 2.06Å; C25-C101 PolarHBondContact SG-SG 2Å; C25-V105 HydrophobicContact CB-CG2 4.25Å |
| 26 | Q | 54.2 | Low | 53.1 | Low | 114 Ų | 114 | 85.9 Ų | 85.9 | 53% | 0.533 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.5 | -85.1 | -171.7 | 91.8 | 0 | 0 | 111.1 | Q22 E23 K28 A29 E30 | Q22-Q26 WeakPolarHBondContact O-CB 3.48Å; Q22-Q26 WeakPolarHBondContact O-CG 3.42Å; Q22-Q26 PolarHBondContact O-N 3.04Å; E23-Q26 PolarHBondContact O-N 3.49Å; Q26-K28 PolarHBondContact O-N 3.09Å; Q26-A29 PolarHBondContact O-N 3.3Å; Q26-E30 WeakPolarHBondContact O-CB 3.26Å; Q26-E30 PolarHBondContact O-N 3.37Å |
| 27 | G | 53.7 | Low | 53 | Low | 43 Ų | 43 | 81.2 Ų | 81.2 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E23 C25 E31 | E23-G27 PolarHBondContact O-N 2.82Å; C25-G27 VanDerWaalsContact C-N 3.33Å; C25-G27 PolarHBondContact O-N 2.9Å; G27-E31 WeakPolarHBondContact O-CB 3.5Å; G27-E31 PolarHBondContact O-N 3.46Å; G27-E31 VanDerWaalsContact O-N 3.09Å |
| 28 | K | 50.9 | Low | 53.2 | Low | 133 Ų | 133 | 83 Ų | 83 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72.7 | -35.9 | 176.6 | -92.4 | -173.6 | 172.5 | -64.4 | 0 | 113.5 | Q24 C25 Q26 E30 E31 V32 | Q24-K28 PolarHBondContact O-N 3.46Å; C25-K28 PolarHBondContact O-N 3.45Å; Q26-K28 PolarHBondContact O-N 3.09Å; K28-E30 VanDerWaalsContact C-N 3.34Å; K28-E31 PolarHBondContact O-N 2.71Å; K28-V32 WeakPolarHBondContact O-CB 3.36Å; K28-V32 VanDerWaalsContact O-CG2 3.3Å; K28-V32 WeakPolarHBondContact O-CG2 3.45Å; K28-V32 PolarHBondContact O-N 3.41Å |
| 29 | A | 52.6 | Low | 53.3 | Low | 14 Ų | 14 | 86.9 Ų | 86.9 | 12% | 0.116 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -71.5 | -38.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | C25 Q26 V32 C33 C97 | C25-A29 WeakPolarHBondContact O-CB 3.41Å; C25-A29 PolarHBondContact O-N 2.97Å; Q26-A29 PolarHBondContact O-N 3.3Å; A29-V32 PolarHBondContact O-N 3Å; A29-C33 WeakPolarHBondContact O-CA 3.34Å; A29-C33 WeakPolarHBondContact O-CB 3.07Å; A29-C33 PolarHBondContact O-N 3.2Å; A29-C33 PolarHBondContact O-SG 2.92Å; A29-C97 WeakPolarHBondContact CB-SG 2.99Å; A29-C97 PolarHBondContact O-SG 3.4Å |
| 30 | E | 52.8 | Low | 53.4 | Low | 116 Ų | 116 | 86 Ų | 86 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.1 | -51 | 169.7 | -158.4 | 168.5 | 98.5 | 0 | 0 | 110.7 | Q26 K28 V32 L34 | Q26-E30 WeakPolarHBondContact O-CB 3.26Å; Q26-E30 PolarHBondContact O-N 3.37Å; K28-E30 VanDerWaalsContact C-N 3.34Å; E30-V32 VanDerWaalsContact C-N 3.34Å; E30-V32 PolarHBondContact O-N 3.42Å; E30-L34 HydrophobicContact CB-CD1 4.31Å; E30-L34 HydrophobicContact CG-CD1 3.24Å; E30-L34 WeakPolarHBondContact O-CB 3.22Å; E30-L34 WeakPolarHBondContact O-CD1 3.11Å; E30-L34 PolarHBondContact O-N 2.66Å |
| 31 | E | 53.1 | Low | 53.5 | Low | 143 Ų | 143 | 79 Ų | 79 | 67% | 0.668 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.2 | -33 | -179.2 | -158.6 | -176.6 | 94 | 0 | 0 | 114.4 | G27 K28 P35 | G27-E31 WeakPolarHBondContact O-CB 3.5Å; G27-E31 PolarHBondContact O-N 3.46Å; G27-E31 VanDerWaalsContact O-N 3.09Å; K28-E31 PolarHBondContact O-N 2.71Å; E31-P35 WeakPolarHBondContact O-CD 3.04Å; E31-P35 VanDerWaalsContact O-CG 3.31Å; E31-P35 WeakPolarHBondContact O-CG 3.3Å |
| 32 | V | 50.3 | Low | 53.6 | Low | 89 Ų | 89 | 82 Ų | 82 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -96.6 | -44.4 | -176.5 | 177 | 0 | 0 | 0 | 0 | 112.2 | K28 A29 E30 L34 T36 | K28-V32 WeakPolarHBondContact O-CB 3.36Å; K28-V32 VanDerWaalsContact O-CG2 3.3Å; K28-V32 WeakPolarHBondContact O-CG2 3.45Å; K28-V32 PolarHBondContact O-N 3.41Å; A29-V32 PolarHBondContact O-N 3Å; E30-V32 VanDerWaalsContact C-N 3.34Å; E30-V32 PolarHBondContact O-N 3.42Å; V32-L34 VanDerWaalsContact C-N 3.35Å; V32-T36 VanDerWaalsContact O-CB 3.26Å; V32-T36 WeakPolarHBondContact O-CB 3.29Å; V32-T36 PolarHBondContact O-N 3.2Å; V32-T36 PolarHBondContact O-OG1 2.74Å |
| 33 | C | 51.8 | Low | 53.8 | Low | 21 Ų | 21 | 83.4 Ų | 83.4 | 14% | 0.142 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 177.4 | -60 | 0 | 0 | 0 | 0 | 110.5 | A29 T36 C37 F93 C97 | A29-C33 WeakPolarHBondContact O-CA 3.34Å; A29-C33 WeakPolarHBondContact O-CB 3.07Å; A29-C33 PolarHBondContact O-N 3.2Å; A29-C33 PolarHBondContact O-SG 2.92Å; C33-T36 PolarHBondContact O-N 2.77Å; C33-C37 VanDerWaalsContact O-CB 3.3Å; C33-C37 WeakPolarHBondContact O-CB 3.29Å; C33-C37 PolarHBondContact O-N 3.41Å; C33-F93 HydrophobicContact CB-CD2 3.94Å; C33-F93 HydrophobicContact CB-CE2 3.28Å; C33-F93 HydrophobicContact CB-CZ 3.82Å; C33-C97 HydrophobicContact CB-CB 3.94Å; C33-C97 WeakPolarHBondContact CB-SG 3.02Å; C33-C97 VanDerWaalsContact SG-CA 3.59Å; C33-C97 WeakPolarHBondContact SG-CB 3.47Å; C33-C97 CovalentContact SG-SG 2.06Å; C33-C97 PolarHBondContact SG-SG 2.88Å |
| 34 | L | 51.1 | Low | 54 | Low | 70 Ų | 70 | 85 Ų | 85 | 37% | 0.366 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.3 | -56.7 | -170.1 | -115.2 | 115.7 | 0 | 0 | 0 | 110.1 | E30 V32 T36 Q38 F93 | E30-L34 HydrophobicContact CB-CD1 4.31Å; E30-L34 HydrophobicContact CG-CD1 3.24Å; E30-L34 WeakPolarHBondContact O-CB 3.22Å; E30-L34 WeakPolarHBondContact O-CD1 3.11Å; E30-L34 PolarHBondContact O-N 2.66Å; V32-L34 VanDerWaalsContact C-N 3.35Å; L34-T36 VanDerWaalsContact C-N 3.28Å; L34-T36 PolarHBondContact O-N 3.31Å; L34-Q38 WeakPolarHBondContact O-CB 3.43Å; L34-Q38 PolarHBondContact O-N 3.22Å; L34-F93 VanDerWaalsContact CA-CE2 3.45Å; L34-F93 HydrophobicContact CB-CE2 4.16Å; L34-F93 HydrophobicContact CD1-CE2 4.15Å; L34-F93 HydrophobicContact CD1-CZ 3.72Å; L34-F93 HydrophobicContact CG-CE2 3.94Å; L34-F93 HydrophobicContact CG-CZ 4.03Å; L34-F93 VanDerWaalsContact N-CE2 3.32Å |
| 35 | P | 52.5 | Low | 54.3 | Low | 67 Ų | 67 | 78.9 Ų | 78.9 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 178.8 | 22.8 | -31.5 | 0 | 0 | 0 | 111.9 | E31 H39 | E31-P35 WeakPolarHBondContact O-CD 3.04Å; E31-P35 VanDerWaalsContact O-CG 3.31Å; E31-P35 WeakPolarHBondContact O-CG 3.3Å; P35-H39 PolarHBondContact O-CD2 2.77Å; P35-H39 PolarHBondContact O-N 3.48Å |
| 36 | T | 50.4 | Low | 54.6 | Low | 92 Ų | 92 | 82.2 Ų | 82.2 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -72 | -32.3 | -175.7 | -54.1 | 0 | 0 | 0 | 0 | 113.5 | V32 C33 L34 P40 | V32-T36 VanDerWaalsContact O-CB 3.26Å; V32-T36 WeakPolarHBondContact O-CB 3.29Å; V32-T36 PolarHBondContact O-N 3.2Å; V32-T36 PolarHBondContact O-OG1 2.74Å; C33-T36 PolarHBondContact O-N 2.77Å; L34-T36 VanDerWaalsContact C-N 3.28Å; L34-T36 PolarHBondContact O-N 3.31Å; T36-P40 WeakPolarHBondContact O-CD 3.22Å; T36-P40 WeakPolarHBondContact O-CG 2.95Å |
| 37 | C | 50.6 | Low | 55 | Low | 14 Ų | 14 | 80.2 Ų | 80.2 | 10% | 0.095 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -94.6 | -31.5 | 177.7 | -78.5 | 0 | 0 | 0 | 0 | 112.2 | C33 P40 C41 F93 | C33-C37 VanDerWaalsContact O-CB 3.3Å; C33-C37 WeakPolarHBondContact O-CB 3.29Å; C33-C37 PolarHBondContact O-N 3.41Å; C37-P40 WeakPolarHBondContact O-CD 3.46Å; C37-C41 WeakPolarHBondContact O-CB 2.99Å; C37-C41 PolarHBondContact O-N 3.33Å; C37-C41 VanDerWaalsContact O-N 3.17Å; C37-F93 HydrophobicContact CB-CD2 3.92Å |
| 38 | Q | 52.7 | Low | 55.5 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 45% | 0.453 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | -179.1 | -165.7 | -164.5 | 111.3 | 0 | 0 | 111.4 | L34 C41 Q42 | L34-Q38 WeakPolarHBondContact O-CB 3.43Å; L34-Q38 PolarHBondContact O-N 3.22Å; Q38-C41 PolarHBondContact O-N 2.81Å; Q38-Q42 WeakPolarHBondContact O-CB 2.95Å; Q38-Q42 PolarHBondContact O-N 2.91Å |
| 39 | H | 55.4 | Low | 55.9 | Low | 140 Ų | 140 | 79 Ų | 79 | 65% | 0.648 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.4 | -58.4 | 177.7 | -93 | -100.7 | 0 | 0 | 0 | 114 | P35 C41 Q42 D43 | P35-H39 PolarHBondContact O-CD2 2.77Å; P35-H39 PolarHBondContact O-N 3.48Å; H39-C41 VanDerWaalsContact C-N 3.27Å; H39-C41 PolarHBondContact O-N 3.47Å; H39-Q42 PolarHBondContact O-N 3.16Å; H39-D43 WeakPolarHBondContact O-CB 3.1Å; H39-D43 PolarHBondContact O-N 2.78Å; H39-D43 VanDerWaalsContact O-N 3.09Å |
| 40 | P | 57.2 | Low | 56.4 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.3 | -26 | -178 | 25.3 | -33.6 | 0 | 0 | 0 | 113 | T36 C37 K44 | T36-P40 WeakPolarHBondContact O-CD 3.22Å; T36-P40 WeakPolarHBondContact O-CG 2.95Å; C37-P40 WeakPolarHBondContact O-CD 3.46Å; P40-K44 WeakPolarHBondContact O-CB 3.31Å; P40-K44 PolarHBondContact O-N 3.27Å; P40-K44 VanDerWaalsContact O-N 3.09Å |
| 41 | C | 56.4 | Low | 57.1 | Low | 17 Ų | 17 | 84 Ų | 84 | 12% | 0.115 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -80.3 | -38.1 | 178.5 | -169 | 0 | 0 | 0 | 0 | 112.8 | C37 Q38 H39 D43 C45 C89 | C37-C41 WeakPolarHBondContact O-CB 2.99Å; C37-C41 PolarHBondContact O-N 3.33Å; C37-C41 VanDerWaalsContact O-N 3.17Å; Q38-C41 PolarHBondContact O-N 2.81Å; H39-C41 VanDerWaalsContact C-N 3.27Å; H39-C41 PolarHBondContact O-N 3.47Å; C41-D43 VanDerWaalsContact C-N 3.33Å; C41-C45 WeakPolarHBondContact O-CB 3.11Å; C41-C45 PolarHBondContact O-N 3.44Å; C41-C89 HydrophobicContact CB-CB 3.76Å; C41-C89 WeakPolarHBondContact CB-SG 3.3Å; C41-C89 WeakPolarHBondContact SG-CA 3.43Å; C41-C89 WeakPolarHBondContact SG-CB 3.35Å; C41-C89 PolarHBondContact SG-N 3.43Å; C41-C89 VanDerWaalsContact SG-N 3.45Å; C41-C89 CovalentContact SG-SG 1.99Å; C41-C89 PolarHBondContact SG-SG 3.5Å |
| 42 | Q | 58.1 | Low | 57.6 | Low | 111 Ų | 111 | 80.3 Ų | 80.3 | 52% | 0.519 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 172.6 | -168.3 | -176.9 | 91.1 | 0 | 0 | 110.6 | Q38 H39 C45 L46 | Q38-Q42 WeakPolarHBondContact O-CB 2.95Å; Q38-Q42 PolarHBondContact O-N 2.91Å; H39-Q42 PolarHBondContact O-N 3.16Å; Q42-C45 PolarHBondContact O-N 3.41Å; Q42-L46 VanDerWaalsContact O-CB 3.25Å; Q42-L46 WeakPolarHBondContact O-CB 3.34Å; Q42-L46 PolarHBondContact O-N 2.87Å |
| 43 | D | 60.3 | Low | 58.2 | Low | 111 Ų | 111 | 77.3 Ų | 77.3 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.2 | -50.6 | 177.3 | -166.6 | -94.2 | 0 | 0 | 0 | 112.1 | H39 C41 C45 L46 V47 | H39-D43 WeakPolarHBondContact O-CB 3.1Å; H39-D43 PolarHBondContact O-N 2.78Å; H39-D43 VanDerWaalsContact O-N 3.09Å; C41-D43 VanDerWaalsContact C-N 3.33Å; D43-C45 VanDerWaalsContact C-N 3.32Å; D43-C45 PolarHBondContact O-N 2.81Å; D43-L46 PolarHBondContact O-N 2.8Å; D43-V47 WeakPolarHBondContact O-CG2 3.21Å; D43-V47 PolarHBondContact O-N 3.25Å |
| 44 | K | 61.1 | Low | 58.7 | Low | 155 Ų | 155 | 80.4 Ų | 80.4 | 67% | 0.674 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.3 | -39.8 | 176 | -92.5 | 173.4 | 170.7 | -79.1 | 0 | 112.9 | P40 Q48 | P40-K44 WeakPolarHBondContact O-CB 3.31Å; P40-K44 PolarHBondContact O-N 3.27Å; P40-K44 VanDerWaalsContact O-N 3.09Å; K44-Q48 WeakPolarHBondContact O-CB 3.25Å; K44-Q48 PolarHBondContact O-N 2.06Å |
| 45 | C | 62 | Low | 59.4 | Low | 14 Ų | 14 | 79.9 Ų | 79.9 | 10% | 0.095 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -73.9 | -38.2 | -179.5 | -163.1 | 0 | 0 | 0 | 0 | 111.9 | C41 Q42 D43 V47 Q48 A49 C85 | C41-C45 WeakPolarHBondContact O-CB 3.11Å; C41-C45 PolarHBondContact O-N 3.44Å; Q42-C45 PolarHBondContact O-N 3.41Å; D43-C45 VanDerWaalsContact C-N 3.32Å; D43-C45 PolarHBondContact O-N 2.81Å; C45-V47 VanDerWaalsContact C-N 3.27Å; C45-V47 PolarHBondContact O-N 2.06Å; C45-Q48 PolarHBondContact O-N 3.42Å; C45-A49 WeakPolarHBondContact O-CB 3.06Å; C45-A49 PolarHBondContact O-N 3.32Å; C45-C85 HydrophobicContact CB-CB 3.34Å; C45-C85 WeakPolarHBondContact SG-CA 3.27Å; C45-C85 WeakPolarHBondContact SG-CB 3.27Å |
| 46 | L | 60.3 | Low | 59.9 | Low | 96 Ų | 96 | 82 Ų | 82 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 177 | -160.8 | 146.3 | 0 | 0 | 0 | 111 | Q42 D43 Q50 | Q42-L46 VanDerWaalsContact O-CB 3.25Å; Q42-L46 WeakPolarHBondContact O-CB 3.34Å; Q42-L46 PolarHBondContact O-N 2.87Å; D43-L46 PolarHBondContact O-N 2.8Å; L46-Q50 WeakPolarHBondContact O-CB 3.47Å; L46-Q50 PolarHBondContact O-N 3.37Å |
| 47 | V | 62.9 | Low | 60.4 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64 | -50.3 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | D43 C45 A49 Q50 E51 | D43-V47 WeakPolarHBondContact O-CG2 3.21Å; D43-V47 PolarHBondContact O-N 3.25Å; C45-V47 VanDerWaalsContact C-N 3.27Å; C45-V47 PolarHBondContact O-N 2.06Å; V47-A49 PolarHBondContact O-N 2.86Å; V47-Q50 PolarHBondContact O-N 3.21Å; V47-E51 WeakPolarHBondContact O-CB 3.43Å; V47-E51 PolarHBondContact O-N 3.09Å |
| 48 | Q | 62.7 | Low | 61 | Low | 132 Ų | 132 | 84 Ų | 84 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | -175.2 | -151.7 | -163.6 | 104.4 | 0 | 0 | 112.3 | K44 C45 E51 V52 | K44-Q48 WeakPolarHBondContact O-CB 3.25Å; K44-Q48 PolarHBondContact O-N 2.06Å; C45-Q48 PolarHBondContact O-N 3.42Å; Q48-E51 PolarHBondContact O-N 3.48Å; Q48-V52 WeakPolarHBondContact O-CG2 3.46Å; Q48-V52 PolarHBondContact O-N 2.93Å |
| 49 | A | 59.9 | Low | 61.5 | Low | 17 Ų | 17 | 85.2 Ų | 85.2 | 14% | 0.14 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C45 V47 E51 C53 C81 | C45-A49 WeakPolarHBondContact O-CB 3.06Å; C45-A49 PolarHBondContact O-N 3.32Å; V47-A49 PolarHBondContact O-N 2.86Å; A49-E51 VanDerWaalsContact C-N 3.34Å; A49-C53 WeakPolarHBondContact O-CB 2.75Å; A49-C53 PolarHBondContact O-N 2.7Å; A49-C81 HydrophobicContact CB-CB 4.01Å; A49-C81 WeakPolarHBondContact CB-SG 3.37Å |
| 50 | Q | 63.3 | Low | 61.5 | Low | 110 Ų | 110 | 83.4 Ų | 83.4 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.1 | -175.6 | 179.6 | 100.9 | 0 | 0 | 111.4 | L46 V47 C53 L54 | L46-Q50 WeakPolarHBondContact O-CB 3.47Å; L46-Q50 PolarHBondContact O-N 3.37Å; V47-Q50 PolarHBondContact O-N 3.21Å; Q50-C53 PolarHBondContact O-N 3.1Å; Q50-L54 HydrophobicContact CG-CD1 3.88Å; Q50-L54 HydrophobicContact CG-CG 4.42Å; Q50-L54 VanDerWaalsContact O-CB 3.27Å; Q50-L54 WeakPolarHBondContact O-CB 3.26Å; Q50-L54 VanDerWaalsContact O-CG 3.27Å; Q50-L54 WeakPolarHBondContact O-CG 3.13Å; Q50-L54 PolarHBondContact O-N 3.09Å |
| 51 | E | 67 | Low | 61.3 | Low | 127 Ų | 127 | 82.3 Ų | 82.3 | 59% | 0.593 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | -178.1 | -152.2 | 178.2 | 106.5 | 0 | 0 | 112.5 | V47 Q48 A49 S55 | V47-E51 WeakPolarHBondContact O-CB 3.43Å; V47-E51 PolarHBondContact O-N 3.09Å; Q48-E51 PolarHBondContact O-N 3.48Å; A49-E51 VanDerWaalsContact C-N 3.34Å; E51-S55 WeakPolarHBondContact O-CB 3.35Å; E51-S55 PolarHBondContact O-N 2.83Å; E51-S55 PolarHBondContact O-OG 3.4Å |
| 52 | V | 63.5 | Low | 61.3 | Low | 65 Ų | 65 | 89.4 Ų | 89.4 | 39% | 0.394 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 175.4 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | Q48 S55 Q56 | Q48-V52 WeakPolarHBondContact O-CG2 3.46Å; Q48-V52 PolarHBondContact O-N 2.93Å; V52-S55 PolarHBondContact O-N 2.86Å; V52-Q56 PolarHBondContact O-N 3.35Å |
| 53 | C | 62.6 | Low | 61 | Low | 25 Ų | 25 | 91.7 Ų | 91.7 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | -179.5 | 171.3 | 0 | 0 | 0 | 0 | 112.7 | A49 Q50 S55 C57 C77 | A49-C53 WeakPolarHBondContact O-CB 2.75Å; A49-C53 PolarHBondContact O-N 2.7Å; Q50-C53 PolarHBondContact O-N 3.1Å; C53-S55 VanDerWaalsContact C-N 3.33Å; C53-C57 WeakPolarHBondContact O-CB 2.91Å; C53-C57 PolarHBondContact O-N 3.49Å; C53-C77 HydrophobicContact CB-CB 4.12Å; C53-C77 WeakPolarHBondContact CB-SG 3.09Å; C53-C77 WeakPolarHBondContact SG-CA 3.1Å; C53-C77 WeakPolarHBondContact SG-CB 3.34Å; C53-C77 CovalentContact SG-SG 2Å; C53-C77 PolarHBondContact SG-SG 3.31Å |
| 54 | L | 63.6 | Low | 60.2 | Low | 86 Ų | 86 | 94.1 Ų | 94.1 | 45% | 0.45 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 172.3 | -80.6 | 169.1 | 0 | 0 | 0 | 111.6 | Q50 C57 Q58 | Q50-L54 HydrophobicContact CG-CD1 3.88Å; Q50-L54 HydrophobicContact CG-CG 4.42Å; Q50-L54 VanDerWaalsContact O-CB 3.27Å; Q50-L54 WeakPolarHBondContact O-CB 3.26Å; Q50-L54 VanDerWaalsContact O-CG 3.27Å; Q50-L54 WeakPolarHBondContact O-CG 3.13Å; Q50-L54 PolarHBondContact O-N 3.09Å; L54-C57 PolarHBondContact O-N 3.17Å; L54-Q58 WeakPolarHBondContact O-CB 3.18Å; L54-Q58 PolarHBondContact O-N 2.98Å |
| 55 | S | 65.5 | Low | 59 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 42% | 0.42 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 178 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | E51 V52 C53 C57 Q58 E59 | E51-S55 WeakPolarHBondContact O-CB 3.35Å; E51-S55 PolarHBondContact O-N 2.83Å; E51-S55 PolarHBondContact O-OG 3.4Å; V52-S55 PolarHBondContact O-N 2.86Å; C53-S55 VanDerWaalsContact C-N 3.33Å; S55-C57 VanDerWaalsContact C-N 3.32Å; S55-C57 PolarHBondContact O-N 3.47Å; S55-Q58 WeakPolarHBondContact O-CB 3.32Å; S55-Q58 PolarHBondContact O-N 3.45Å; S55-E59 PolarHBondContact O-N 2.88Å |
| 56 | Q | 62.9 | Low | 58.2 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 176 | -79.7 | -147.9 | 91.6 | 0 | 0 | 112.3 | V52 Q58 E59 L60 | V52-Q56 PolarHBondContact O-N 3.35Å; Q56-Q58 VanDerWaalsContact C-N 3.33Å; Q56-E59 PolarHBondContact O-N 3.48Å; Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 PolarHBondContact O-N 3.1Å |
| 57 | C | 60.8 | Low | 57.4 | Low | 14 Ų | 14 | 101 Ų | 101 | 10% | 0.095 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | C53 L54 S55 L60 S61 C73 | C53-C57 WeakPolarHBondContact O-CB 2.91Å; C53-C57 PolarHBondContact O-N 3.49Å; L54-C57 PolarHBondContact O-N 3.17Å; S55-C57 VanDerWaalsContact C-N 3.32Å; S55-C57 PolarHBondContact O-N 3.47Å; C57-L60 PolarHBondContact O-N 3.29Å; C57-S61 VanDerWaalsContact O-CB 3.23Å; C57-S61 WeakPolarHBondContact O-CB 3.35Å; C57-S61 PolarHBondContact O-N 3.4Å; C57-S61 PolarHBondContact O-OG 3.44Å; C57-C73 HydrophobicContact CB-CB 3.59Å; C57-C73 WeakPolarHBondContact CB-SG 3.17Å; C57-C73 WeakPolarHBondContact SG-CB 3.25Å; C57-C73 CovalentContact SG-SG 2Å; C57-C73 PolarHBondContact SG-SG 3.36Å |
| 58 | Q | 63.6 | Low | 56.6 | Low | 133 Ų | 133 | 105.2 Ų | 105.2 | 62% | 0.621 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.8 | -46.1 | 177.9 | -174 | -178.1 | 84 | 0 | 0 | 110.9 | L54 S55 Q56 S61 Q62 | L54-Q58 WeakPolarHBondContact O-CB 3.18Å; L54-Q58 PolarHBondContact O-N 2.98Å; S55-Q58 WeakPolarHBondContact O-CB 3.32Å; S55-Q58 PolarHBondContact O-N 3.45Å; Q56-Q58 VanDerWaalsContact C-N 3.33Å; Q58-S61 WeakPolarHBondContact CA-OG 3.07Å; Q58-S61 PolarHBondContact O-N 3.1Å; Q58-S61 PolarHBondContact O-OG 3.01Å; Q58-Q62 WeakPolarHBondContact O-CB 3.46Å; Q58-Q62 PolarHBondContact O-N 2.73Å |
| 59 | E | 62.2 | Low | 55.6 | Low | 124 Ų | 124 | 101.1 Ų | 101.1 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.7 | -49.7 | 176 | -74.9 | -160.9 | 91.5 | 0 | 0 | 112 | S55 Q56 S61 Q62 E63 | S55-E59 PolarHBondContact O-N 2.88Å; Q56-E59 PolarHBondContact O-N 3.48Å; E59-S61 VanDerWaalsContact C-N 3.32Å; E59-S61 PolarHBondContact O-N 3.21Å; E59-Q62 WeakPolarHBondContact O-CB 3.2Å; E59-Q62 PolarHBondContact O-N 3.37Å; E59-Q62 VanDerWaalsContact O-N 3.09Å; E59-E63 PolarHBondContact O-N 3.06Å |
| 60 | L | 56.4 | Low | 55 | Low | 101 Ų | 101 | 107 Ų | 107 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.7 | -40.4 | 177.3 | -97.8 | 144.6 | 0 | 0 | 0 | 112.6 | Q56 C57 Q62 E63 K64 | Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 PolarHBondContact O-N 3.1Å; C57-L60 PolarHBondContact O-N 3.29Å; L60-Q62 VanDerWaalsContact C-N 3.31Å; L60-E63 PolarHBondContact O-N 3.05Å; L60-K64 WeakPolarHBondContact O-CB 3.18Å; L60-K64 PolarHBondContact O-N 2.84Å |
| 61 | S | 52.4 | Low | 54.1 | Low | 47 Ų | 47 | 108.1 Ų | 108.1 | 33% | 0.329 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.7 | -30.8 | 177.5 | 74.3 | 0 | 0 | 0 | 0 | 112.7 | C57 Q58 E59 | C57-S61 VanDerWaalsContact O-CB 3.23Å; C57-S61 WeakPolarHBondContact O-CB 3.35Å; C57-S61 PolarHBondContact O-N 3.4Å; C57-S61 PolarHBondContact O-OG 3.44Å; Q58-S61 WeakPolarHBondContact CA-OG 3.07Å; Q58-S61 PolarHBondContact O-N 3.1Å; Q58-S61 PolarHBondContact O-OG 3.01Å; E59-S61 VanDerWaalsContact C-N 3.32Å; E59-S61 PolarHBondContact O-N 3.21Å |
| 62 | Q | 55.4 | Low | 53.5 | Low | 166 Ų | 166 | 105.4 Ų | 105.4 | 78% | 0.776 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -72 | -35.6 | 175.8 | -146.2 | -162.1 | 125 | 0 | 0 | 111.1 | Q58 E59 L60 | Q58-Q62 WeakPolarHBondContact O-CB 3.46Å; Q58-Q62 PolarHBondContact O-N 2.73Å; E59-Q62 WeakPolarHBondContact O-CB 3.2Å; E59-Q62 PolarHBondContact O-N 3.37Å; E59-Q62 VanDerWaalsContact O-N 3.09Å; L60-Q62 VanDerWaalsContact C-N 3.31Å |
| 63 | E | 53.2 | Low | 52.8 | Low | 160 Ų | 160 | 103.8 Ų | 103.8 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -82.5 | -25.1 | 178.1 | -69.1 | -169.8 | 88.4 | 0 | 0 | 113.9 | E59 L60 | E59-E63 PolarHBondContact O-N 3.06Å; L60-E63 PolarHBondContact O-N 3.05Å |
| 64 | K | 42.2 | Very low | 52.1 | Low | 161 Ų | 161 | 108.4 Ų | 108.4 | 70% | 0.7 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -125.9 | 65.3 | -175.1 | -65 | -74.1 | -161.5 | -159.5 | 0 | 112.4 | L60 | L60-K64 WeakPolarHBondContact O-CB 3.18Å; L60-K64 PolarHBondContact O-N 2.84Å |
| 65 | C | 35.7 | Very low | 51.6 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 65% | 0.649 | 58% | 0.577 | S | S | * | * | trans | 66.8 | 131 | 168.8 | -62.7 | 0 | 0 | 0 | 0 | 117.5 | Q67 | C65-Q67 PolarHBondContact O-N 3.31Š| ||
| 66 | P | 45.6 | Very low | 50.9 | Low | 128 Ų | 128 | 108.5 Ų | 108.5 | 83% | 0.831 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 6.9 | -176.7 | 30.6 | -36.3 | 0 | 0 | 0 | 115.8 | ||
| 67 | Q | 43.4 | Very low | 50.2 | Low | 186 Ų | 186 | 104.5 Ų | 104.5 | 87% | 0.869 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -14.3 | -170.4 | -79.4 | -172.2 | -102.5 | 0 | 0 | 116 | C65 G69 | C65-Q67 PolarHBondContact O-N 3.31Å; Q67-G69 VanDerWaalsContact C-N 3.28Å; Q67-G69 PolarHBondContact O-N 2.89Å |
| 68 | Q | 45.8 | Very low | 49.7 | Very low | 161 Ų | 161 | 111.6 Ų | 111.6 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -97.1 | 60.8 | 169.2 | -74.2 | -161.1 | -73.6 | 0 | 0 | 109.6 | ||
| 69 | G | 42.8 | Very low | 49.1 | Very low | 45 Ų | 45 | 111.5 Ų | 111.5 | 46% | 0.464 | 60% | 0.596 | S | S | . | * | trans | -61.4 | 136.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q67 D71 | Q67-G69 VanDerWaalsContact C-N 3.28Å; Q67-G69 PolarHBondContact O-N 2.89Å; G69-D71 PolarHBondContact O-N 2.79Å | ||
| 70 | Q | 48.1 | Very low | 48.5 | Very low | 142 Ų | 142 | 111.5 Ų | 111.5 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 60.2 | -27.3 | 147 | -58.5 | -93 | 25.4 | 0 | 0 | 118.8 | ||
| 71 | D | 44.3 | Very low | 48.2 | Very low | 132 Ų | 132 | 107.9 Ų | 107.9 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -40.8 | -172.3 | -159.8 | -103.6 | 0 | 0 | 0 | 114 | G69 C73 | G69-D71 PolarHBondContact O-N 2.79Å; D71-C73 VanDerWaalsContact C-N 3.33Å; D71-C73 PolarHBondContact O-N 3.22Å |
| 72 | P | 52.8 | Low | 48 | Very low | 70 Ų | 70 | 109.2 Ų | 109.2 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | -9.3 | -179.4 | 29.7 | -32.9 | 0 | 0 | 0 | 114.5 | P75 P76 | P72-P75 WeakPolarHBondContact O-CD 3.21Å; P72-P76 VanDerWaalsContact O-CD 3.24Å; P72-P76 WeakPolarHBondContact O-CD 3.32Å |
| 73 | C | 50.2 | Low | 47.8 | Very low | 32 Ų | 32 | 105.3 Ų | 105.3 | 22% | 0.216 | 58% | 0.575 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -22.6 | -175.9 | -71.4 | 0 | 0 | 0 | 0 | 114.7 | C57 D71 P76 C77 | C57-C73 HydrophobicContact CB-CB 3.59Å; C57-C73 WeakPolarHBondContact CB-SG 3.17Å; C57-C73 WeakPolarHBondContact SG-CB 3.25Å; C57-C73 CovalentContact SG-SG 2Å; C57-C73 PolarHBondContact SG-SG 3.36Å; D71-C73 VanDerWaalsContact C-N 3.33Å; D71-C73 PolarHBondContact O-N 3.22Å; C73-P76 WeakPolarHBondContact O-CD 3.33Å; C73-C77 WeakPolarHBondContact O-CB 2.96Å |
| 74 | L | 48.3 | Very low | 47.6 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -45.3 | 176.8 | -79.5 | 159 | 0 | 0 | 0 | 114.1 | C77 | L74-C77 VanDerWaalsContact O-CB 3.3Å; L74-C77 WeakPolarHBondContact O-CB 3.41Å; L74-C77 PolarHBondContact O-N 3.42Å |
| 75 | P | 52.3 | Low | 47.9 | Very low | 85 Ų | 85 | 97.7 Ų | 97.7 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -48.2 | -178.3 | 13.9 | -21.1 | 0 | 0 | 0 | 115.4 | P72 C77 Q78 | P72-P75 WeakPolarHBondContact O-CD 3.21Å; P75-C77 PolarHBondContact O-N 2.88Å; P75-Q78 PolarHBondContact O-N 3.45Å |
| 76 | P | 50.5 | Low | 48.6 | Very low | 63 Ų | 63 | 95.8 Ų | 95.8 | 41% | 0.409 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.4 | -17.9 | -179.6 | 27.6 | -35.1 | 0 | 0 | 0 | 113.6 | P72 C73 Q80 | P72-P76 VanDerWaalsContact O-CD 3.24Å; P72-P76 WeakPolarHBondContact O-CD 3.32Å; C73-P76 WeakPolarHBondContact O-CD 3.33Å; P76-Q80 PolarHBondContact O-N 3.07Å; P76-Q80 PolarHBondContact O-NE2 3.02Å |
| 77 | C | 48.9 | Very low | 49 | Very low | 26 Ų | 26 | 96.3 Ų | 96.3 | 18% | 0.176 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 176.3 | -143.4 | 0 | 0 | 0 | 0 | 112.6 | C53 C73 L74 P75 D79 C81 | C53-C77 HydrophobicContact CB-CB 4.12Å; C53-C77 WeakPolarHBondContact CB-SG 3.09Å; C53-C77 WeakPolarHBondContact SG-CA 3.1Å; C53-C77 WeakPolarHBondContact SG-CB 3.34Å; C53-C77 CovalentContact SG-SG 2Å; C53-C77 PolarHBondContact SG-SG 3.31Å; C73-C77 WeakPolarHBondContact O-CB 2.96Å; L74-C77 VanDerWaalsContact O-CB 3.3Å; L74-C77 WeakPolarHBondContact O-CB 3.41Å; L74-C77 PolarHBondContact O-N 3.42Å; P75-C77 PolarHBondContact O-N 2.88Å; C77-D79 VanDerWaalsContact C-N 3.28Å; C77-D79 PolarHBondContact O-N 3.31Å; C77-C81 PolarHBondContact O-N 1.99Å |
| 78 | Q | 50 | Low | 49.5 | Very low | 164 Ų | 164 | 90.6 Ų | 90.6 | 77% | 0.766 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.7 | -29.3 | -179.2 | -84.1 | -143.2 | 102.5 | 0 | 0 | 112.3 | P75 P82 | P75-Q78 PolarHBondContact O-N 3.45Å; Q78-P82 VanDerWaalsContact O-CD 3.22Å; Q78-P82 WeakPolarHBondContact O-CD 3.29Å |
| 79 | D | 50 | Low | 49.8 | Very low | 131 Ų | 131 | 84.3 Ų | 84.3 | 70% | 0.701 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.8 | -29.7 | -177.8 | -151.1 | -100.6 | 0 | 0 | 0 | 112.8 | C77 P82 | C77-D79 VanDerWaalsContact C-N 3.28Å; C77-D79 PolarHBondContact O-N 3.31Å; D79-P82 WeakPolarHBondContact O-CD 3.46Å |
| 80 | Q | 50 | Low | 50.4 | Low | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -90.8 | -15.1 | 179.3 | -71 | -173.9 | 89.4 | 0 | 0 | 114.7 | P76 P83 | P76-Q80 PolarHBondContact O-N 3.07Å; P76-Q80 PolarHBondContact O-NE2 3.02Å; Q80-P83 WeakPolarHBondContact O-CD 3.43Å; Q80-P83 WeakPolarHBondContact O-CG 3.22Å |
| 81 | C | 50.1 | Low | 50.7 | Low | 26 Ų | 26 | 88 Ų | 88 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 176.3 | -166 | 0 | 0 | 0 | 0 | 114.7 | A49 C77 C85 | A49-C81 HydrophobicContact CB-CB 4.01Å; A49-C81 WeakPolarHBondContact CB-SG 3.37Å; C77-C81 PolarHBondContact O-N 1.99Å; C81-C85 PolarHBondContact O-N 3.45Å; C81-C85 PolarHBondContact O-SG 2.98Å |
| 82 | P | 48.9 | Very low | 51.2 | Low | 74 Ų | 74 | 86.2 Ų | 86.2 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | -176.4 | 15.1 | -23.7 | 0 | 0 | 0 | 116.2 | Q78 D79 C85 A86 | Q78-P82 VanDerWaalsContact O-CD 3.22Å; Q78-P82 WeakPolarHBondContact O-CD 3.29Å; D79-P82 WeakPolarHBondContact O-CD 3.46Å; P82-C85 PolarHBondContact O-SG 3.48Å; P82-A86 PolarHBondContact O-N 3.15Å |
| 83 | P | 50.4 | Low | 51.3 | Low | 84 Ų | 84 | 85 Ų | 85 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.8 | -32.8 | 179.2 | 25.4 | -33.7 | 0 | 0 | 0 | 113.1 | Q80 | Q80-P83 WeakPolarHBondContact O-CD 3.43Å; Q80-P83 WeakPolarHBondContact O-CG 3.22Å |
| 84 | Q | 48.8 | Very low | 51.5 | Low | 129 Ų | 129 | 89 Ų | 89 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.5 | -24.6 | 179.3 | -71 | -121.8 | -96.5 | 0 | 0 | 113.2 | P88 | Q84-P88 WeakPolarHBondContact O-CD 3.37Å; Q84-P88 WeakPolarHBondContact O-CG 3.34Å |
| 85 | C | 48.9 | Very low | 51.9 | Low | 32 Ų | 32 | 87.2 Ų | 87.2 | 22% | 0.216 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -80.8 | -31.6 | 175.1 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | C45 C81 P82 E87 P88 C89 | C45-C85 HydrophobicContact CB-CB 3.34Å; C45-C85 WeakPolarHBondContact SG-CA 3.27Å; C45-C85 WeakPolarHBondContact SG-CB 3.27Å; C81-C85 PolarHBondContact O-N 3.45Å; C81-C85 PolarHBondContact O-SG 2.98Å; P82-C85 PolarHBondContact O-SG 3.48Å; C85-E87 PolarHBondContact O-N 2.99Å; C85-P88 WeakPolarHBondContact O-CD 3.02Å; C85-C89 WeakPolarHBondContact O-CB 3.24Å; C85-C89 PolarHBondContact O-N 2.94Å; C85-C89 PolarHBondContact O-SG 3.31Å |
| 86 | A | 50.3 | Low | 52 | Low | 56 Ų | 56 | 89.6 Ų | 89.6 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P82 Q90 | P82-A86 PolarHBondContact O-N 3.15Å; A86-Q90 VanDerWaalsContact O-CB 3.29Å; A86-Q90 WeakPolarHBondContact O-CB 3.21Å; A86-Q90 PolarHBondContact O-N 3.29Å |
| 87 | E | 53.9 | Low | 52 | Low | 139 Ų | 139 | 87.2 Ų | 87.2 | 65% | 0.65 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.7 | -58.4 | -178.1 | -79.7 | -81.1 | 94.6 | 0 | 0 | 113.6 | C85 C89 Q90 E91 | C85-E87 PolarHBondContact O-N 2.99Å; E87-C89 VanDerWaalsContact C-N 3.29Å; E87-C89 PolarHBondContact O-N 3.29Å; E87-Q90 PolarHBondContact O-N 3.01Å; E87-Q90 VanDerWaalsContact O-N 3.15Å; E87-E91 PolarHBondContact O-N 3.24Å |
| 88 | P | 54.9 | Low | 52.1 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 43% | 0.429 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.7 | -29.5 | -176.9 | 25.7 | -34.3 | 0 | 0 | 0 | 112.6 | Q84 C85 L92 | Q84-P88 WeakPolarHBondContact O-CD 3.37Å; Q84-P88 WeakPolarHBondContact O-CG 3.34Å; C85-P88 WeakPolarHBondContact O-CD 3.02Å; P88-L92 VanDerWaalsContact O-CB 3.32Å; P88-L92 WeakPolarHBondContact O-CB 3.42Å; P88-L92 PolarHBondContact O-N 3.45Å; P88-L92 VanDerWaalsContact O-N 3.1Å |
| 89 | C | 52.2 | Low | 52.1 | Low | 29 Ų | 29 | 89 Ų | 89 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 173.3 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | C41 C85 E87 F93 | C41-C89 HydrophobicContact CB-CB 3.76Å; C41-C89 WeakPolarHBondContact CB-SG 3.3Å; C41-C89 WeakPolarHBondContact SG-CA 3.43Å; C41-C89 WeakPolarHBondContact SG-CB 3.35Å; C41-C89 PolarHBondContact SG-N 3.43Å; C41-C89 VanDerWaalsContact SG-N 3.45Å; C41-C89 CovalentContact SG-SG 1.99Å; C41-C89 PolarHBondContact SG-SG 3.5Å; C85-C89 WeakPolarHBondContact O-CB 3.24Å; C85-C89 PolarHBondContact O-N 2.94Å; C85-C89 PolarHBondContact O-SG 3.31Å; E87-C89 VanDerWaalsContact C-N 3.29Å; E87-C89 PolarHBondContact O-N 3.29Å; C89-F93 WeakPolarHBondContact O-CB 3.41Å; C89-F93 PolarHBondContact O-N 2.86Å |
| 90 | Q | 54.3 | Low | 52 | Low | 123 Ų | 123 | 87.1 Ų | 87.1 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 178.8 | -163.6 | -160.2 | 97.6 | 0 | 0 | 111.2 | A86 E87 F93 Q94 | A86-Q90 VanDerWaalsContact O-CB 3.29Å; A86-Q90 WeakPolarHBondContact O-CB 3.21Å; A86-Q90 PolarHBondContact O-N 3.29Å; E87-Q90 PolarHBondContact O-N 3.01Å; E87-Q90 VanDerWaalsContact O-N 3.15Å; Q90-F93 WeakPolarHBondContact O-CB 2.75Å; Q90-F93 PolarHBondContact O-N 3.49Å; Q90-Q94 WeakPolarHBondContact O-CB 3.48Å; Q90-Q94 PolarHBondContact O-N 2.97Å |
| 91 | E | 54.5 | Low | 51.8 | Low | 143 Ų | 143 | 82.1 Ų | 82.1 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.2 | -42.4 | 178.8 | -166.8 | 176.8 | 87.7 | 0 | 0 | 112.3 | E87 F93 Q94 T95 | E87-E91 PolarHBondContact O-N 3.24Å; E91-F93 VanDerWaalsContact C-N 3.28Å; E91-F93 PolarHBondContact O-N 3.44Å; E91-Q94 PolarHBondContact O-N 2Å; E91-T95 WeakPolarHBondContact O-CB 3.3Å; E91-T95 PolarHBondContact O-N 2.67Å; E91-T95 PolarHBondContact O-OG1 3.39Å |
| 92 | L | 54.7 | Low | 51.9 | Low | 94 Ų | 94 | 84.4 Ų | 84.4 | 49% | 0.492 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 176.9 | -148.4 | 155.5 | 0 | 0 | 0 | 111 | P88 K96 | P88-L92 VanDerWaalsContact O-CB 3.32Å; P88-L92 WeakPolarHBondContact O-CB 3.42Å; P88-L92 PolarHBondContact O-N 3.45Å; P88-L92 VanDerWaalsContact O-N 3.1Å; L92-K96 HydrophobicContact CD2-CD 4.37Å; L92-K96 VanDerWaalsContact O-CB 3.25Å; L92-K96 WeakPolarHBondContact O-CB 3.4Å; L92-K96 PolarHBondContact O-N 3.4Å; L92-K96 VanDerWaalsContact O-N 3.1Å |
| 93 | F | 54.8 | Low | 51.9 | Low | 45 Ų | 45 | 87.5 Ų | 87.5 | 20% | 0.197 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62 | -53 | 170.4 | -172.1 | -96.2 | 0 | 0 | 0 | 111.7 | C33 L34 C37 C89 Q90 E91 T95 K96 C97 | C33-F93 HydrophobicContact CB-CD2 3.94Å; C33-F93 HydrophobicContact CB-CE2 3.28Å; C33-F93 HydrophobicContact CB-CZ 3.82Å; L34-F93 VanDerWaalsContact CA-CE2 3.45Å; L34-F93 HydrophobicContact CB-CE2 4.16Å; L34-F93 HydrophobicContact CD1-CE2 4.15Å; L34-F93 HydrophobicContact CD1-CZ 3.72Å; L34-F93 HydrophobicContact CG-CE2 3.94Å; L34-F93 HydrophobicContact CG-CZ 4.03Å; L34-F93 VanDerWaalsContact N-CE2 3.32Å; C37-F93 HydrophobicContact CB-CD2 3.92Å; C89-F93 WeakPolarHBondContact O-CB 3.41Å; C89-F93 PolarHBondContact O-N 2.86Å; Q90-F93 WeakPolarHBondContact O-CB 2.75Å; Q90-F93 PolarHBondContact O-N 3.49Å; E91-F93 VanDerWaalsContact C-N 3.28Å; E91-F93 PolarHBondContact O-N 3.44Å; F93-T95 VanDerWaalsContact C-N 3.35Å; F93-T95 PolarHBondContact O-N 3.3Å; F93-K96 PolarHBondContact O-N 3.47Å; F93-C97 WeakPolarHBondContact O-CB 3.5Å; F93-C97 PolarHBondContact O-N 3.43Å |
| 94 | Q | 54.6 | Low | 51.7 | Low | 114 Ų | 114 | 91.2 Ų | 91.2 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.4 | -50.6 | 179.1 | -116.7 | -104.7 | 85.3 | 0 | 0 | 110.5 | Q90 E91 K96 V98 | Q90-Q94 WeakPolarHBondContact O-CB 3.48Å; Q90-Q94 PolarHBondContact O-N 2.97Å; E91-Q94 PolarHBondContact O-N 2Å; Q94-K96 PolarHBondContact O-N 2.87Å; Q94-V98 WeakPolarHBondContact O-CB 3.47Å; Q94-V98 WeakPolarHBondContact O-CG2 3.34Å; Q94-V98 PolarHBondContact O-N 2.92Å |
| 95 | T | 56.3 | Low | 51.7 | Low | 86 Ų | 86 | 85.4 Ų | 85.4 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | -173.9 | -44.6 | 0 | 0 | 0 | 0 | 111.8 | E91 F93 E99 | E91-T95 WeakPolarHBondContact O-CB 3.3Å; E91-T95 PolarHBondContact O-N 2.67Å; E91-T95 PolarHBondContact O-OG1 3.39Å; F93-T95 VanDerWaalsContact C-N 3.35Å; F93-T95 PolarHBondContact O-N 3.3Å; T95-E99 WeakPolarHBondContact O-CB 3.19Å; T95-E99 PolarHBondContact O-N 3.34Å |
| 96 | K | 54.1 | Low | 51.7 | Low | 134 Ų | 134 | 90.1 Ų | 90.1 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -79 | -29.4 | -175.2 | -150.8 | 155.3 | -171.4 | -175.7 | 0 | 112.9 | L92 F93 Q94 V100 | L92-K96 HydrophobicContact CD2-CD 4.37Å; L92-K96 VanDerWaalsContact O-CB 3.25Å; L92-K96 WeakPolarHBondContact O-CB 3.4Å; L92-K96 PolarHBondContact O-N 3.4Å; L92-K96 VanDerWaalsContact O-N 3.1Å; F93-K96 PolarHBondContact O-N 3.47Å; Q94-K96 PolarHBondContact O-N 2.87Å; K96-V100 WeakPolarHBondContact O-CG2 2.87Å |
| 97 | C | 52.2 | Low | 51.7 | Low | 13 Ų | 13 | 94.3 Ų | 94.3 | 9% | 0.088 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -84.7 | -33.4 | 178.5 | -135.6 | 0 | 0 | 0 | 0 | 111.9 | A29 C33 F93 | A29-C97 WeakPolarHBondContact CB-SG 2.99Å; A29-C97 PolarHBondContact O-SG 3.4Å; C33-C97 HydrophobicContact CB-CB 3.94Å; C33-C97 WeakPolarHBondContact CB-SG 3.02Å; C33-C97 VanDerWaalsContact SG-CA 3.59Å; C33-C97 WeakPolarHBondContact SG-CB 3.47Å; C33-C97 CovalentContact SG-SG 2.06Å; C33-C97 PolarHBondContact SG-SG 2.88Å; F93-C97 WeakPolarHBondContact O-CB 3.5Å; F93-C97 PolarHBondContact O-N 3.43Å |
| 98 | V | 49.8 | Very low | 51.3 | Low | 81 Ų | 81 | 95.6 Ų | 95.6 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.1 | -29.7 | 172.4 | 164.9 | 0 | 0 | 0 | 0 | 112.7 | Q94 P102 | Q94-V98 WeakPolarHBondContact O-CB 3.47Å; Q94-V98 WeakPolarHBondContact O-CG2 3.34Å; Q94-V98 PolarHBondContact O-N 2.92Å; V98-P102 WeakPolarHBondContact O-CD 3.46Å; V98-P102 VanDerWaalsContact O-CG 3.26Å; V98-P102 WeakPolarHBondContact O-CG 3.49Å |
| 99 | E | 51.3 | Low | 51 | Low | 148 Ų | 148 | 94.8 Ų | 94.8 | 69% | 0.692 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -76.4 | -32.6 | -179.8 | -159.6 | -178.4 | 93.6 | 0 | 0 | 112.8 | T95 | T95-E99 WeakPolarHBondContact O-CB 3.19Å; T95-E99 PolarHBondContact O-N 3.34Å |
| 100 | V | 46.2 | Very low | 50.6 | Low | 91 Ų | 91 | 97.2 Ų | 97.2 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -78.7 | -28.1 | -175.6 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | K96 | K96-V100 WeakPolarHBondContact O-CG2 2.87Å |
| 101 | C | 47.7 | Very low | 49.9 | Very low | 18 Ų | 18 | 95 Ų | 95 | 12% | 0.122 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -74.8 | -45.8 | -177.1 | -92.1 | 0 | 0 | 0 | 0 | 117 | C25 Q103 V105 | C25-C101 HydrophobicContact CB-CB 4.05Å; C25-C101 WeakPolarHBondContact CB-SG 3.26Å; C25-C101 PolarHBondContact O-SG 3.32Å; C25-C101 WeakPolarHBondContact SG-CA 3.38Å; C25-C101 WeakPolarHBondContact SG-CB 2.94Å; C25-C101 CovalentContact SG-SG 2.06Å; C25-C101 PolarHBondContact SG-SG 2Å; C101-Q103 PolarHBondContact O-N 2.83Å; C101-V105 VanDerWaalsContact O-CG2 3.3Å; C101-V105 WeakPolarHBondContact O-CG2 3.23Å; C101-V105 PolarHBondContact O-N 2.97Å |
| 102 | P | 51.7 | Low | 49.4 | Very low | 74 Ų | 74 | 93.8 Ų | 93.8 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -32.5 | -175.2 | 24.9 | -32.1 | 0 | 0 | 0 | 112.2 | V98 K104 V105 Q106 | V98-P102 WeakPolarHBondContact O-CD 3.46Å; V98-P102 VanDerWaalsContact O-CG 3.26Å; V98-P102 WeakPolarHBondContact O-CG 3.49Å; P102-K104 PolarHBondContact O-N 3.22Å; P102-V105 PolarHBondContact O-N 3.37Å; P102-Q106 VanDerWaalsContact O-CB 3.31Å; P102-Q106 WeakPolarHBondContact O-CB 2.89Å; P102-Q106 PolarHBondContact O-N 3.18Å |
| 103 | Q | 48.8 | Very low | 48.9 | Very low | 139 Ų | 139 | 93.1 Ų | 93.1 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -45.2 | -178.7 | -104.9 | -127.1 | -76.2 | 0 | 0 | 112.8 | C101 E107 | C101-Q103 PolarHBondContact O-N 2.83Å; Q103-E107 PolarHBondContact O-N 2.8Å |
| 104 | K | 46 | Very low | 48.5 | Very low | 161 Ų | 161 | 101.2 Ų | 101.2 | 70% | 0.7 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.9 | -29 | 179.3 | -80.2 | -165.9 | 178.7 | -169.9 | 0 | 113.5 | P102 K108 | P102-K104 PolarHBondContact O-N 3.22Å; K104-K108 PolarHBondContact O-N 2.97Å |
| 105 | V | 49.7 | Very low | 47.9 | Very low | 7 Ų | 7 | 99 Ų | 99 | 4% | 0.042 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -78 | -37.4 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | L18 T21 C25 C101 P102 K108 C109 | L18-V105 HydrophobicContact CD2-CB 4.43Å; L18-V105 HydrophobicContact CD2-CG1 3.43Å; L18-V105 VanDerWaalsContact CD2-CG1 3.43Å; L18-V105 HydrophobicContact CG-CG1 4.1Å; T21-V105 HydrophobicContact CG2-CB 4.39Å; T21-V105 HydrophobicContact CG2-CG1 4.04Å; T21-V105 HydrophobicContact CG2-CG2 3.72Å; C25-V105 HydrophobicContact CB-CG2 4.25Å; C101-V105 VanDerWaalsContact O-CG2 3.3Å; C101-V105 WeakPolarHBondContact O-CG2 3.23Å; C101-V105 PolarHBondContact O-N 2.97Å; P102-V105 PolarHBondContact O-N 3.37Å; V105-K108 PolarHBondContact O-N 3.43Å; V105-C109 PolarHBondContact O-N 3.35Å |
| 106 | Q | 48.2 | Very low | 46.9 | Very low | 132 Ų | 132 | 108.4 Ų | 108.4 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.2 | -46.8 | 176.5 | -161 | -169.2 | 12.7 | 0 | 0 | 110.8 | P102 K108 C109 S110 | P102-Q106 VanDerWaalsContact O-CB 3.31Å; P102-Q106 WeakPolarHBondContact O-CB 2.89Å; P102-Q106 PolarHBondContact O-N 3.18Å; Q106-K108 VanDerWaalsContact C-N 3.26Å; Q106-K108 PolarHBondContact O-N 2.97Å; Q106-C109 PolarHBondContact O-N 2.98Å; Q106-S110 WeakPolarHBondContact O-CA 3.38Å; Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 2.85Å; Q106-S110 PolarHBondContact O-OG 3.48Å |
| 107 | E | 49.2 | Very low | 46.6 | Very low | 143 Ų | 143 | 107.1 Ų | 107.1 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.5 | -36.1 | 177.3 | -85.1 | -151.5 | 90 | 0 | 0 | 113.2 | Q103 S110 S111 | Q103-E107 PolarHBondContact O-N 2.8Å; E107-S110 PolarHBondContact O-N 3.42Å; E107-S111 PolarHBondContact O-N 2.95Å |
| 108 | K | 46.2 | Very low | 46.3 | Very low | 167 Ų | 167 | 112.1 Ų | 112.1 | 73% | 0.726 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.5 | -28.7 | -174.7 | -151.2 | 142.5 | 176.9 | 178.5 | 0 | 114.1 | K104 V105 Q106 S111 | K104-K108 PolarHBondContact O-N 2.97Å; V105-K108 PolarHBondContact O-N 3.43Å; Q106-K108 VanDerWaalsContact C-N 3.26Å; Q106-K108 PolarHBondContact O-N 2.97Å; K108-S111 PolarHBondContact O-OG 3.04Å |
| 109 | C | 47.8 | Very low | 46.1 | Very low | 49 Ų | 49 | 113.8 Ų | 113.8 | 33% | 0.331 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -85.1 | -15.5 | 165.4 | -74.6 | 0 | 0 | 0 | 0 | 112.2 | C17 V105 Q106 | C17-C109 WeakPolarHBondContact CB-SG 3.44Å; C17-C109 WeakPolarHBondContact SG-CB 3.39Å; C17-C109 CovalentContact SG-SG 2.09Å; C17-C109 PolarHBondContact SG-SG 3.36Å; V105-C109 PolarHBondContact O-N 3.35Å; Q106-C109 PolarHBondContact O-N 2.98Å |
| 110 | S | 43.7 | Very low | 45.8 | Very low | 80 Ų | 80 | 111.8 Ų | 111.8 | 56% | 0.559 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -87.1 | -9 | 176.2 | -77.3 | 0 | 0 | 0 | 0 | 114.8 | Q106 E107 P112 | Q106-S110 WeakPolarHBondContact O-CA 3.38Å; Q106-S110 WeakPolarHBondContact O-CB 3.49Å; Q106-S110 PolarHBondContact O-N 2.85Å; Q106-S110 PolarHBondContact O-OG 3.48Å; E107-S110 PolarHBondContact O-N 3.42Å; S110-P112 WeakPolarHBondContact O-CD 3.35Å |
| 111 | S | 40.9 | Very low | 45.7 | Very low | 76 Ų | 76 | 113.1 Ų | 113.1 | 53% | 0.531 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -71.9 | 107 | 167.7 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | E107 K108 G113 | E107-S111 PolarHBondContact O-N 2.95Å; K108-S111 PolarHBondContact O-OG 3.04Å; S111-G113 PolarHBondContact O-N 3.09Å |
| 112 | P | 44 | Very low | 45.6 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 76% | 0.76 | 65% | 0.65 | S | S | * | * | trans | -60.8 | 125.4 | 167.7 | 27 | -32.6 | 0 | 0 | 0 | 106.7 | S110 K114 | S110-P112 WeakPolarHBondContact O-CD 3.35Å; P112-K114 PolarHBondContact O-N 3.34Å | ||
| 113 | G | 42.8 | Very low | 45.2 | Very low | 80 Ų | 80 | 122.6 Ų | 122.6 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | trans | -56.6 | 92.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | S111 G115 | S111-G113 PolarHBondContact O-N 3.09Å; G113-G115 PolarHBondContact O-N 2.9Å | ||
| 114 | K | 47.3 | Very low | 44.9 | Very low | 216 Ų | 216 | 121.4 Ų | 121.4 | 94% | 0.939 | 66% | 0.664 | S | S | * | * | trans | -77.6 | 80.2 | 161.9 | -167 | 178.5 | 179.3 | 175.6 | 0 | 105.7 | P112 | P112-K114 PolarHBondContact O-N 3.34Š| ||
| 115 | G | 41.7 | Very low | 44.8 | Very low | 68 Ų | 68 | 118.1 Ų | 118.1 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -129.3 | 107.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | G113 | G113-G115 PolarHBondContact O-N 2.9Š| ||
| 116 | K | 36 | Very low | 44.4 | Very low | 282 Ų | 282 | 128.2 Ų | 128.2 | 100% | 1.226 | 72% | 0.717 | S | S | * | * | trans | -35.7 | 0 | -177 | -68 | 173.2 | 67.6 | -172.9 | 0 | 117.3 |
Retrieved 116 of 116 residues in 416.7 ms
(Link to these results)