| 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 | 49.2 | Very low | 64 | Low | 228 Ų | 228 | 124.1 Ų | 124.1 | 100% | 1.123 | 67% | 0.672 | S | S | * | * | 0 | 79.9 | 0 | -89.9 | -136.4 | -174.6 | 0 | 0 | 103.8 | |||||
| 2 | D | 53.1 | Low | 65 | Low | 154 Ų | 154 | 118.1 Ų | 118.1 | 82% | 0.824 | 65% | 0.652 | S | S | * | * | trans | -150.8 | 70.1 | -166.4 | -56.6 | -82.8 | 0 | 0 | 0 | 108.7 | ||||
| 3 | G | 54.8 | Low | 66.6 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | -139.9 | 6.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 4 | F | 58.6 | Low | 68.2 | Low | 169 Ų | 169 | 112 Ų | 112 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -115.1 | -17.3 | -173.6 | -165.2 | -103.4 | 0 | 0 | 0 | 114.3 | ||
| 5 | D | 60.2 | Low | 69.7 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 62% | 0.615 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -83.6 | -17.8 | -171.8 | -62.5 | -62.7 | 0 | 0 | 0 | 115.6 | S8 S9 | D5-S8 PolarHBondContact O-OG 3Å; D5-S9 PolarHBondContact O-N 3.3Å |
| 6 | L | 59.4 | Low | 71.1 | Confident | 140 Ų | 140 | 109.8 Ų | 109.8 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.5 | -35.3 | 178.3 | -66.9 | 171.4 | 0 | 0 | 0 | 112.1 | S9 E10 | L6-S9 PolarHBondContact O-N 3.27Å; L6-E10 WeakPolarHBondContact O-CG 3.46Å; L6-E10 PolarHBondContact O-N 3.43Å; L6-E10 VanDerWaalsContact O-N 3.08Å |
| 7 | N | 70.1 | Confident | 72.4 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 44% | 0.444 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73 | -33 | -175.4 | -165.9 | -45.4 | 0 | 0 | 0 | 112.4 | K11 | N7-K11 WeakPolarHBondContact O-CB 3.38Å; N7-K11 WeakPolarHBondContact O-CD 3.33Å; N7-K11 VanDerWaalsContact O-CG 3.24Å; N7-K11 WeakPolarHBondContact O-CG 3.3Å; N7-K11 PolarHBondContact O-N 3.4Å; N7-K11 WeakPolarHBondContact OD1-CD 3.43Å; N7-K11 WeakPolarHBondContact OD1-CE 3.44Å; N7-K11 PolarHBondContact OD1-NZ 2.98Å |
| 8 | S | 70.8 | Confident | 73.6 | Confident | 59 Ų | 59 | 110.7 Ų | 110.7 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -72.5 | -39.9 | 176.1 | 22.5 | 0 | 0 | 0 | 0 | 112.1 | D5 A12 | D5-S8 PolarHBondContact O-OG 3Å; S8-A12 PolarHBondContact O-N 3.35Å |
| 9 | S | 72.9 | Confident | 74.7 | Confident | 67 Ų | 67 | 114.5 Ų | 114.5 | 47% | 0.469 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66 | -47.7 | 175.7 | -163.4 | 0 | 0 | 0 | 0 | 111.6 | D5 L6 K11 A12 D13 | D5-S9 PolarHBondContact O-N 3.3Å; L6-S9 PolarHBondContact O-N 3.27Å; S9-K11 VanDerWaalsContact C-N 3.28Å; S9-K11 PolarHBondContact O-N 3.16Å; S9-A12 WeakPolarHBondContact O-CB 3.28Å; S9-A12 PolarHBondContact O-N 3.05Å; S9-A12 VanDerWaalsContact O-N 3.11Å; S9-D13 PolarHBondContact O-N 3.33Å |
| 10 | E | 76.9 | Confident | 75.8 | Confident | 135 Ų | 135 | 113.6 Ų | 113.6 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.8 | -35.9 | 177.6 | -73.8 | 177.7 | 135.2 | 0 | 0 | 112.6 | L6 A14 | L6-E10 WeakPolarHBondContact O-CG 3.46Å; L6-E10 PolarHBondContact O-N 3.43Å; L6-E10 VanDerWaalsContact O-N 3.08Å; E10-A14 VanDerWaalsContact O-CB 3.26Å; E10-A14 WeakPolarHBondContact O-CB 3.4Å; E10-A14 PolarHBondContact O-N 3.39Å |
| 11 | K | 77.8 | Confident | 76.8 | Confident | 137 Ų | 137 | 112 Ų | 112 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.4 | -39.7 | 174.2 | -80.2 | 171.7 | 175 | 156.1 | 0 | 112.8 | N7 S9 S15 | N7-K11 WeakPolarHBondContact O-CB 3.38Å; N7-K11 WeakPolarHBondContact O-CD 3.33Å; N7-K11 VanDerWaalsContact O-CG 3.24Å; N7-K11 WeakPolarHBondContact O-CG 3.3Å; N7-K11 PolarHBondContact O-N 3.4Å; N7-K11 WeakPolarHBondContact OD1-CD 3.43Å; N7-K11 WeakPolarHBondContact OD1-CE 3.44Å; N7-K11 PolarHBondContact OD1-NZ 2.98Å; S9-K11 VanDerWaalsContact C-N 3.28Å; S9-K11 PolarHBondContact O-N 3.16Å; K11-S15 WeakPolarHBondContact O-CB 3.49Å; K11-S15 PolarHBondContact O-N 3.02Å |
| 12 | A | 76.5 | Confident | 79 | Confident | 52 Ų | 52 | 103.3 Ų | 103.3 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -47.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S8 S9 A14 S15 E16 | S8-A12 PolarHBondContact O-N 3.35Å; S9-A12 WeakPolarHBondContact O-CB 3.28Å; S9-A12 PolarHBondContact O-N 3.05Å; S9-A12 VanDerWaalsContact O-N 3.11Å; A12-A14 PolarHBondContact O-N 3Å; A12-S15 PolarHBondContact O-N 2.91Å; A12-S15 PolarHBondContact O-OG 3.36Å; A12-E16 PolarHBondContact O-N 2.87Å |
| 13 | D | 85.5 | Confident | 81.2 | Confident | 94 Ų | 94 | 99 Ų | 99 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.6 | -67.5 | -22.3 | 0 | 0 | 0 | 112.2 | S9 S15 E16 L17 | S9-D13 PolarHBondContact O-N 3.33Å; D13-S15 VanDerWaalsContact C-N 3.32Å; D13-S15 PolarHBondContact O-N 3.41Å; D13-E16 PolarHBondContact O-N 3.1Å; D13-L17 WeakPolarHBondContact O-CB 3.3Å; D13-L17 PolarHBondContact O-N 3.44Å |
| 14 | A | 88.6 | Confident | 83.2 | Confident | 57 Ų | 57 | 100.2 Ų | 100.2 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E10 A12 L17 Q18 | E10-A14 VanDerWaalsContact O-CB 3.26Å; E10-A14 WeakPolarHBondContact O-CB 3.4Å; E10-A14 PolarHBondContact O-N 3.39Å; A12-A14 PolarHBondContact O-N 3Å; A14-L17 PolarHBondContact O-N 3.4Å; A14-Q18 WeakPolarHBondContact O-CB 3.27Å; A14-Q18 PolarHBondContact O-N 3.01Å |
| 15 | S | 90.4 | Very high | 85.1 | Confident | 72 Ų | 72 | 97.6 Ų | 97.6 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 177.8 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | K11 A12 D13 Q18 R19 | K11-S15 WeakPolarHBondContact O-CB 3.49Å; K11-S15 PolarHBondContact O-N 3.02Å; A12-S15 PolarHBondContact O-N 2.91Å; A12-S15 PolarHBondContact O-OG 3.36Å; D13-S15 VanDerWaalsContact C-N 3.32Å; D13-S15 PolarHBondContact O-N 3.41Å; S15-Q18 PolarHBondContact O-N 2.94Å; S15-R19 PolarHBondContact O-N 3.32Å; S15-R19 VanDerWaalsContact O-N 3.08Å |
| 16 | E | 91.9 | Very high | 86.9 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 175 | -178.2 | 168.2 | -172.1 | 0 | 0 | 111.2 | A12 D13 Q18 R19 M20 | A12-E16 PolarHBondContact O-N 2.87Å; D13-E16 PolarHBondContact O-N 3.1Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 3.49Å; E16-R19 WeakPolarHBondContact O-CB 3.29Å; E16-R19 PolarHBondContact O-N 3.48Å; E16-R19 VanDerWaalsContact O-N 3.16Å; E16-M20 HydrophobicContact CG-CE 4.47Å; E16-M20 WeakPolarHBondContact O-CG 3.46Å; E16-M20 PolarHBondContact O-N 3.48Å |
| 17 | L | 93.2 | Very high | 88.7 | Confident | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.5 | 179.1 | 61.1 | 0 | 0 | 0 | 111.8 | D13 A14 R19 M20 I21 | D13-L17 WeakPolarHBondContact O-CB 3.3Å; D13-L17 PolarHBondContact O-N 3.44Å; A14-L17 PolarHBondContact O-N 3.4Å; L17-R19 VanDerWaalsContact C-N 3.28Å; L17-R19 PolarHBondContact O-N 2.87Å; L17-M20 HydrophobicContact CB-CE 4.46Å; L17-M20 HydrophobicContact CD1-CE 4.02Å; L17-M20 PolarHBondContact O-N 2.87Å; L17-M20 VanDerWaalsContact O-N 3.16Å; L17-I21 HydrophobicContact CD1-CD1 4.2Å; L17-I21 HydrophobicContact CD1-CG1 4.32Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.27Å |
| 18 | Q | 94.2 | Very high | 90.1 | Very high | 143 Ų | 143 | 96 Ų | 96 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -38.4 | 177.6 | -171.6 | 172.2 | -6.1 | 0 | 0 | 111.8 | A14 S15 E16 I21 A22 | A14-Q18 WeakPolarHBondContact O-CB 3.27Å; A14-Q18 PolarHBondContact O-N 3.01Å; S15-Q18 PolarHBondContact O-N 2.94Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 3.49Å; Q18-I21 PolarHBondContact O-N 3.49Å; Q18-A22 PolarHBondContact O-N 3.24Å |
| 19 | R | 95.4 | Very high | 91.3 | Very high | 183 Ų | 183 | 99.1 Ų | 99.1 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 173.1 | 177.5 | 179.4 | 175.2 | 160.7 | -0.8 | 111.9 | S15 E16 L17 A22 I23 | S15-R19 PolarHBondContact O-N 3.32Å; S15-R19 VanDerWaalsContact O-N 3.08Å; E16-R19 WeakPolarHBondContact O-CB 3.29Å; E16-R19 PolarHBondContact O-N 3.48Å; E16-R19 VanDerWaalsContact O-N 3.16Å; L17-R19 VanDerWaalsContact C-N 3.28Å; L17-R19 PolarHBondContact O-N 2.87Å; R19-A22 PolarHBondContact O-N 2.92Å; R19-I23 HydrophobicContact CG-CD1 4.11Å; R19-I23 WeakPolarHBondContact O-CG1 3.27Å; R19-I23 PolarHBondContact O-N 2.75Å; R19-I23 VanDerWaalsContact O-N 3.09Å |
| 20 | M | 95.7 | Very high | 92.5 | Very high | 95 Ų | 95 | 101.6 Ų | 101.6 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -45 | 176.8 | -70.7 | -167.7 | -69.8 | 0 | 0 | 111.3 | E16 L17 A22 I23 E24 | E16-M20 HydrophobicContact CG-CE 4.47Å; E16-M20 WeakPolarHBondContact O-CG 3.46Å; E16-M20 PolarHBondContact O-N 3.48Å; L17-M20 HydrophobicContact CB-CE 4.46Å; L17-M20 HydrophobicContact CD1-CE 4.02Å; L17-M20 PolarHBondContact O-N 2.87Å; L17-M20 VanDerWaalsContact O-N 3.16Å; M20-A22 VanDerWaalsContact C-N 3.32Å; M20-A22 PolarHBondContact O-N 2.8Å; M20-I23 PolarHBondContact O-N 2.75Å; M20-E24 WeakPolarHBondContact O-CG 3.24Å; M20-E24 PolarHBondContact O-N 2.68Å |
| 21 | I | 97.1 | Very high | 93.5 | Very high | 80 Ų | 80 | 99.7 Ų | 99.7 | 41% | 0.41 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.4 | -69.3 | 167.5 | 0 | 0 | 0 | 110.7 | L17 Q18 I23 E24 Q25 | L17-I21 HydrophobicContact CD1-CD1 4.2Å; L17-I21 HydrophobicContact CD1-CG1 4.32Å; L17-I21 HydrophobicContact CG-CD1 3.96Å; L17-I21 WeakPolarHBondContact O-CG1 3.49Å; L17-I21 PolarHBondContact O-N 3.27Å; Q18-I21 PolarHBondContact O-N 3.49Å; I21-I23 VanDerWaalsContact C-N 3.32Å; I21-I23 PolarHBondContact O-N 3.37Å; I21-E24 PolarHBondContact O-N 2.94Å; I21-Q25 HydrophobicContact CG2-CG 4.24Å; I21-Q25 WeakPolarHBondContact O-CB 3.47Å; I21-Q25 VanDerWaalsContact O-CG 3.26Å; I21-Q25 WeakPolarHBondContact O-CG 3.42Å; I21-Q25 PolarHBondContact O-N 2.98Å |
| 22 | A | 96.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 95.9 Ų | 95.9 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q18 R19 M20 Q25 Q26 | Q18-A22 PolarHBondContact O-N 3.24Å; R19-A22 PolarHBondContact O-N 2.92Å; M20-A22 VanDerWaalsContact C-N 3.32Å; M20-A22 PolarHBondContact O-N 2.8Å; A22-Q25 PolarHBondContact O-N 3.37Å; A22-Q26 WeakPolarHBondContact O-CG 3.45Å; A22-Q26 PolarHBondContact O-N 3.39Å |
| 23 | I | 97.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 98.2 Ų | 98.2 | 33% | 0.333 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -47 | 176.7 | -68.6 | 166 | 0 | 0 | 0 | 110.8 | R19 M20 I21 Q25 Q26 K27 | R19-I23 HydrophobicContact CG-CD1 4.11Å; R19-I23 WeakPolarHBondContact O-CG1 3.27Å; R19-I23 PolarHBondContact O-N 2.75Å; R19-I23 VanDerWaalsContact O-N 3.09Å; M20-I23 PolarHBondContact O-N 2.75Å; I21-I23 VanDerWaalsContact C-N 3.32Å; I21-I23 PolarHBondContact O-N 3.37Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 2.93Å; I23-Q26 PolarHBondContact O-N 3.03Å; I23-K27 HydrophobicContact CG2-CD 4.37Å; I23-K27 WeakPolarHBondContact O-CG 3.31Å; I23-K27 PolarHBondContact O-N 3.4Å |
| 24 | E | 97.7 | Very high | 96.1 | Very high | 102 Ų | 102 | 96 Ų | 96 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 179.8 | -66.7 | -51.6 | 136 | 0 | 0 | 112.1 | M20 I21 K27 A28 | M20-E24 WeakPolarHBondContact O-CG 3.24Å; M20-E24 PolarHBondContact O-N 2.68Å; I21-E24 PolarHBondContact O-N 2.94Å; E24-K27 PolarHBondContact O-N 2.95Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 3.25Å; E24-K27 WeakPolarHBondContact OE2-CD 3.07Å; E24-K27 IonicContact OE2-NZ 3.81Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.87Å |
| 25 | Q | 97.8 | Very high | 96.6 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 171.7 | -76.6 | 177.3 | -2.9 | 0 | 0 | 112 | I21 A22 I23 K27 A28 Q29 | I21-Q25 HydrophobicContact CG2-CG 4.24Å; I21-Q25 WeakPolarHBondContact O-CB 3.47Å; I21-Q25 VanDerWaalsContact O-CG 3.26Å; I21-Q25 WeakPolarHBondContact O-CG 3.42Å; I21-Q25 PolarHBondContact O-N 2.98Å; A22-Q25 PolarHBondContact O-N 3.37Å; I23-Q25 VanDerWaalsContact C-N 3.32Å; I23-Q25 PolarHBondContact O-N 2.93Å; Q25-K27 VanDerWaalsContact C-N 3.34Å; Q25-K27 PolarHBondContact O-N 2.92Å; Q25-A28 PolarHBondContact O-N 3.48Å; Q25-Q29 WeakPolarHBondContact O-CG 3.37Å; Q25-Q29 PolarHBondContact O-N 3.25Å |
| 26 | Q | 97.9 | Very high | 96.9 | Very high | 137 Ų | 137 | 98.9 Ų | 98.9 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 175.4 | -75.6 | -177.6 | -26 | 0 | 0 | 111.8 | A22 I23 Q29 F30 | A22-Q26 WeakPolarHBondContact O-CG 3.45Å; A22-Q26 PolarHBondContact O-N 3.39Å; I23-Q26 PolarHBondContact O-N 3.03Å; Q26-Q29 PolarHBondContact O-N 3.45Å; Q26-F30 PolarHBondContact O-N 3.07Å |
| 27 | K | 98.3 | Very high | 97.2 | Very high | 106 Ų | 106 | 94.9 Ų | 94.9 | 46% | 0.461 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.8 | -71.2 | 173.9 | -176.9 | 171.2 | 0 | 111.5 | I23 E24 Q25 Q29 F30 Q31 | I23-K27 HydrophobicContact CG2-CD 4.37Å; I23-K27 WeakPolarHBondContact O-CG 3.31Å; I23-K27 PolarHBondContact O-N 3.4Å; E24-K27 PolarHBondContact O-N 2.95Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 3.25Å; E24-K27 WeakPolarHBondContact OE2-CD 3.07Å; E24-K27 IonicContact OE2-NZ 3.81Å; Q25-K27 VanDerWaalsContact C-N 3.34Å; Q25-K27 PolarHBondContact O-N 2.92Å; K27-Q29 VanDerWaalsContact C-N 3.33Å; K27-Q29 PolarHBondContact O-N 3.16Å; K27-F30 WeakPolarHBondContact O-CB 3.2Å; K27-F30 PolarHBondContact O-N 2.99Å; K27-Q31 WeakPolarHBondContact O-CG 3.5Å; K27-Q31 PolarHBondContact O-N 3.47Å |
| 28 | A | 98.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 93.9 Ų | 93.9 | 51% | 0.512 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E24 Q25 Q31 A32 | E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.87Å; Q25-A28 PolarHBondContact O-N 3.48Å; A28-Q31 PolarHBondContact O-N 3.31Å; A28-A32 WeakPolarHBondContact O-CB 3.48Å; A28-A32 PolarHBondContact O-N 3.2Å |
| 29 | Q | 98 | Very high | 97.6 | Very high | 124 Ų | 124 | 92.1 Ų | 92.1 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.4 | -38.7 | 175.2 | -72.5 | 175.1 | 2.1 | 0 | 0 | 112.6 | Q25 Q26 K27 Q33 | Q25-Q29 WeakPolarHBondContact O-CG 3.37Å; Q25-Q29 PolarHBondContact O-N 3.25Å; Q26-Q29 PolarHBondContact O-N 3.45Å; K27-Q29 VanDerWaalsContact C-N 3.33Å; K27-Q29 PolarHBondContact O-N 3.16Å; Q29-Q33 WeakPolarHBondContact O-CG 3.32Å; Q29-Q33 PolarHBondContact O-N 2.95Å; Q29-Q33 VanDerWaalsContact O-N 3.16Å; Q29-Q33 PolarHBondContact O-NE2 3.37Å |
| 30 | F | 97.6 | Very high | 97.7 | Very high | 120 Ų | 120 | 85.7 Ų | 85.7 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 174.3 | 174.7 | -99.7 | 0 | 0 | 0 | 111.4 | Q26 K27 A32 Q33 V34 | Q26-F30 PolarHBondContact O-N 3.07Å; K27-F30 WeakPolarHBondContact O-CB 3.2Å; K27-F30 PolarHBondContact O-N 2.99Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 2.98Å; F30-Q33 WeakPolarHBondContact O-CB 3.21Å; F30-Q33 PolarHBondContact O-N 3.24Å; F30-Q33 VanDerWaalsContact O-N 3.07Å; F30-V34 HydrophobicContact CD1-CG2 4.14Å; F30-V34 HydrophobicContact CE1-CG2 3.64Å; F30-V34 HydrophobicContact CE2-CG2 4.24Å; F30-V34 HydrophobicContact CZ-CG2 3.7Å; F30-V34 WeakPolarHBondContact O-CG2 3.34Å; F30-V34 PolarHBondContact O-N 3.49Å |
| 31 | Q | 98.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 81.3 Ų | 81.3 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 177.7 | -67.2 | -60.8 | -18.8 | 0 | 0 | 111.9 | K27 A28 Q33 V34 H35 | K27-Q31 WeakPolarHBondContact O-CG 3.5Å; K27-Q31 PolarHBondContact O-N 3.47Å; A28-Q31 PolarHBondContact O-N 3.31Å; Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 PolarHBondContact O-N 3.05Å; Q31-V34 WeakPolarHBondContact O-CB 3.46Å; Q31-V34 PolarHBondContact O-N 2.85Å; Q31-H35 PolarHBondContact O-CD2 3.03Å; Q31-H35 PolarHBondContact O-N 3.3Å |
| 32 | A | 98.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 83 Ų | 83 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A28 F30 H35 N36 | A28-A32 WeakPolarHBondContact O-CB 3.48Å; A28-A32 PolarHBondContact O-N 3.2Å; F30-A32 VanDerWaalsContact C-N 3.31Å; F30-A32 PolarHBondContact O-N 2.98Å; A32-H35 PolarHBondContact O-N 3.43Å; A32-N36 WeakPolarHBondContact O-CB 3.48Å; A32-N36 PolarHBondContact O-N 3.4Å |
| 33 | Q | 97.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 87 Ų | 87 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 174.5 | -73.3 | 173.7 | 79.5 | 0 | 0 | 112 | Q29 F30 Q31 H35 N36 F37 | Q29-Q33 WeakPolarHBondContact O-CG 3.32Å; Q29-Q33 PolarHBondContact O-N 2.95Å; Q29-Q33 VanDerWaalsContact O-N 3.16Å; Q29-Q33 PolarHBondContact O-NE2 3.37Å; F30-Q33 WeakPolarHBondContact O-CB 3.21Å; F30-Q33 PolarHBondContact O-N 3.24Å; F30-Q33 VanDerWaalsContact O-N 3.07Å; Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 PolarHBondContact O-N 3.05Å; Q33-H35 VanDerWaalsContact C-N 3.32Å; Q33-H35 PolarHBondContact O-N 3.47Å; Q33-N36 PolarHBondContact O-N 3.29Å; Q33-F37 HydrophobicContact CB-CE2 4.28Å; Q33-F37 HydrophobicContact CB-CZ 4.35Å; Q33-F37 WeakPolarHBondContact O-CD2 3.21Å; Q33-F37 WeakPolarHBondContact O-CG 3.37Å; Q33-F37 PolarHBondContact O-N 3.46Å |
| 34 | V | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 90.9 Ų | 90.9 | 30% | 0.297 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | F30 Q31 F37 T38 | F30-V34 HydrophobicContact CD1-CG2 4.14Å; F30-V34 HydrophobicContact CE1-CG2 3.64Å; F30-V34 HydrophobicContact CE2-CG2 4.24Å; F30-V34 HydrophobicContact CZ-CG2 3.7Å; F30-V34 WeakPolarHBondContact O-CG2 3.34Å; F30-V34 PolarHBondContact O-N 3.49Å; Q31-V34 WeakPolarHBondContact O-CB 3.46Å; Q31-V34 PolarHBondContact O-N 2.85Å; V34-F37 PolarHBondContact O-N 3.48Å; V34-T38 WeakPolarHBondContact O-CB 3.26Å; V34-T38 PolarHBondContact O-N 2.95Å; V34-T38 PolarHBondContact O-OG1 3.4Å |
| 35 | H | 98.4 | Very high | 97.7 | Very high | 116 Ų | 116 | 86.4 Ų | 86.4 | 54% | 0.537 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.3 | -71.1 | -53.6 | 0 | 0 | 0 | 112 | Q31 A32 Q33 F37 T38 D39 | Q31-H35 PolarHBondContact O-CD2 3.03Å; Q31-H35 PolarHBondContact O-N 3.3Å; A32-H35 PolarHBondContact O-N 3.43Å; Q33-H35 VanDerWaalsContact C-N 3.32Å; Q33-H35 PolarHBondContact O-N 3.47Å; H35-F37 VanDerWaalsContact C-N 3.34Å; H35-F37 PolarHBondContact O-N 3.42Å; H35-T38 WeakPolarHBondContact O-CB 3.38Å; H35-T38 PolarHBondContact O-N 3.16Å; H35-T38 VanDerWaalsContact O-N 3.11Å; H35-D39 PolarHBondContact O-N 3.38Å |
| 36 | N | 98 | Very high | 97.5 | Very high | 73 Ų | 73 | 82.9 Ų | 82.9 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 177.3 | 176 | 70 | 0 | 0 | 0 | 112.6 | A32 Q33 T38 D39 V40 | A32-N36 WeakPolarHBondContact O-CB 3.48Å; A32-N36 PolarHBondContact O-N 3.4Å; Q33-N36 PolarHBondContact O-N 3.29Å; N36-T38 VanDerWaalsContact C-N 3.32Å; N36-D39 PolarHBondContact O-N 3.41Å; N36-V40 WeakPolarHBondContact O-CB 3.4Å; N36-V40 WeakPolarHBondContact O-CG2 3.26Å; N36-V40 PolarHBondContact O-N 3.31Å |
| 37 | F | 98.3 | Very high | 97 | Very high | 33 Ų | 33 | 84.6 Ų | 84.6 | 15% | 0.145 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.5 | -62 | -24.2 | 0 | 0 | 0 | 111.9 | Q33 V34 H35 C41 V66 F69 I70 | Q33-F37 HydrophobicContact CB-CE2 4.28Å; Q33-F37 HydrophobicContact CB-CZ 4.35Å; Q33-F37 WeakPolarHBondContact O-CD2 3.21Å; Q33-F37 WeakPolarHBondContact O-CG 3.37Å; Q33-F37 PolarHBondContact O-N 3.46Å; V34-F37 PolarHBondContact O-N 3.48Å; H35-F37 VanDerWaalsContact C-N 3.34Å; H35-F37 PolarHBondContact O-N 3.42Å; F37-C41 WeakPolarHBondContact O-CB 3.33Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-C41 PolarHBondContact O-SG 3.49Å; F37-V66 HydrophobicContact CB-CG2 4.29Å; F37-V66 HydrophobicContact CD2-CG1 4.09Å; F37-F69 AromaticContact CD1-CD1 3.94Å; F37-F69 HydrophobicContact CD1-CD1 3.94Å; F37-F69 HydrophobicContact CD1-CE1 4.2Å; F37-F69 HydrophobicContact CD1-CG 4.36Å; F37-F69 AromaticContact CE1-CD1 3.4Å; F37-F69 HydrophobicContact CE1-CD1 3.4Å; F37-F69 AromaticContact CE1-CE1 3.58Å; F37-F69 HydrophobicContact CE1-CE1 3.58Å; F37-F69 HydrophobicContact CE1-CG 4.23Å; F37-F69 HydrophobicContact CE1-CZ 4.49Å; F37-F69 HydrophobicContact CZ-CD1 4.3Å; F37-I70 HydrophobicContact CE2-CD1 4.33Å; F37-I70 HydrophobicContact CE2-CG1 4.38Å; F37-I70 HydrophobicContact CZ-CG1 4.1Å |
| 38 | T | 97.6 | Very high | 96.3 | Very high | 72 Ų | 72 | 82.9 Ų | 82.9 | 44% | 0.442 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.4 | -52.2 | 174.8 | -56.9 | 0 | 0 | 0 | 0 | 110 | V34 H35 N36 V40 W42 | V34-T38 WeakPolarHBondContact O-CB 3.26Å; V34-T38 PolarHBondContact O-N 2.95Å; V34-T38 PolarHBondContact O-OG1 3.4Å; H35-T38 WeakPolarHBondContact O-CB 3.38Å; H35-T38 PolarHBondContact O-N 3.16Å; H35-T38 VanDerWaalsContact O-N 3.11Å; N36-T38 VanDerWaalsContact C-N 3.32Å; T38-V40 PolarHBondContact O-N 3.42Å; T38-W42 WeakPolarHBondContact O-CA 3.35Å; T38-W42 WeakPolarHBondContact O-CB 3.48Å; T38-W42 PolarHBondContact O-N 3.5Å |
| 39 | D | 97.6 | Very high | 95.6 | Very high | 106 Ų | 106 | 85.5 Ų | 85.5 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.2 | -50.7 | -178.5 | -65.4 | -22.7 | 0 | 0 | 0 | 111.7 | H35 N36 D43 | H35-D39 PolarHBondContact O-N 3.38Å; N36-D39 PolarHBondContact O-N 3.41Å; D39-D43 PolarHBondContact O-N 2.88Å |
| 40 | V | 97.7 | Very high | 95 | Very high | 48 Ų | 48 | 83.8 Ų | 83.8 | 29% | 0.291 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | -177.7 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | N36 T38 K44 F69 | N36-V40 WeakPolarHBondContact O-CB 3.4Å; N36-V40 WeakPolarHBondContact O-CG2 3.26Å; N36-V40 PolarHBondContact O-N 3.31Å; T38-V40 PolarHBondContact O-N 3.42Å; V40-K44 WeakPolarHBondContact O-CG 3.4Å; V40-K44 PolarHBondContact O-N 3.19Å; V40-F69 HydrophobicContact CG1-CD2 4.24Å; V40-F69 HydrophobicContact CG1-CE2 4.31Å |
| 41 | C | 98.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.014 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -78.4 | -27.8 | -176 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | F37 K44 C45 L62 C65 | F37-C41 WeakPolarHBondContact O-CB 3.33Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-C41 PolarHBondContact O-SG 3.49Å; C41-K44 PolarHBondContact O-N 2.93Å; C41-C45 VanDerWaalsContact O-CB 3.3Å; C41-C45 WeakPolarHBondContact O-CB 3.4Å; C41-C45 PolarHBondContact O-N 3.05Å; C41-L62 HydrophobicContact CB-CD2 3.91Å; C41-C65 WeakPolarHBondContact CA-SG 3.46Å; C41-C65 HydrophobicContact CB-CB 3.74Å; C41-C65 WeakPolarHBondContact CB-SG 3.39Å; C41-C65 VanDerWaalsContact SG-C 3.59Å; C41-C65 WeakPolarHBondContact SG-CB 3.42Å; C41-C65 CovalentContact SG-SG 2.05Å; C41-C65 PolarHBondContact SG-SG 3.41Å |
| 42 | W | 96.3 | Very high | 94 | Very high | 117 Ų | 117 | 83.8 Ų | 83.8 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 171.3 | -171.5 | -92.2 | 0 | 0 | 0 | 110.5 | T38 K44 C45 M46 P50 | T38-W42 WeakPolarHBondContact O-CA 3.35Å; T38-W42 WeakPolarHBondContact O-CB 3.48Å; T38-W42 PolarHBondContact O-N 3.5Å; W42-K44 PolarHBondContact O-N 3.11Å; W42-K44 VanDerWaalsContact O-N 3.09Å; W42-C45 PolarHBondContact O-N 3.31Å; W42-M46 HydrophobicContact CD2-CB 4.24Å; W42-M46 HydrophobicContact CD2-CG 3.51Å; W42-M46 HydrophobicContact CE3-CG 3.53Å; W42-M46 HydrophobicContact CE3-SD 4.34Å; W42-M46 HydrophobicContact CG-CB 4.48Å; W42-M46 HydrophobicContact CG-CG 4.09Å; W42-M46 HydrophobicContact CH2-CE 3.79Å; W42-M46 HydrophobicContact CH2-CG 3.9Å; W42-M46 HydrophobicContact CH2-SD 4.07Å; W42-M46 HydrophobicContact CZ2-CB 4.44Å; W42-M46 HydrophobicContact CZ2-CE 4.02Å; W42-M46 HydrophobicContact CZ2-CG 3.88Å; W42-M46 HydrophobicContact CZ3-CE 4.31Å; W42-M46 HydrophobicContact CZ3-CG 3.73Å; W42-M46 HydrophobicContact CZ3-SD 3.98Å; W42-M46 VanDerWaalsContact O-CB 3.31Å; W42-M46 WeakPolarHBondContact O-CB 3.42Å; W42-M46 PolarHBondContact O-N 3.47Å; W42-P50 HydrophobicContact CH2-CG 4.3Å; W42-P50 HydrophobicContact CZ2-CG 4.13Å |
| 43 | D | 95.8 | Very high | 93.7 | Very high | 130 Ų | 130 | 89.1 Ų | 89.1 | 70% | 0.695 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -20.6 | 178.2 | -75.6 | -8.9 | 0 | 0 | 0 | 114.1 | D39 | D39-D43 PolarHBondContact O-N 2.88Å |
| 44 | K | 96.3 | Very high | 93.3 | Very high | 146 Ų | 146 | 89.2 Ų | 89.2 | 64% | 0.635 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -95 | -34.9 | -177.2 | -72.9 | -79.2 | 165 | -71 | 0 | 113.4 | V40 C41 W42 | V40-K44 WeakPolarHBondContact O-CG 3.4Å; V40-K44 PolarHBondContact O-N 3.19Å; C41-K44 PolarHBondContact O-N 2.93Å; W42-K44 PolarHBondContact O-N 3.11Å; W42-K44 VanDerWaalsContact O-N 3.09Å |
| 45 | C | 96.9 | Very high | 93 | Very high | 8 Ų | 8 | 90.8 Ų | 90.8 | 5% | 0.054 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -112.3 | -23.4 | -168.3 | -70.2 | 0 | 0 | 0 | 0 | 113.9 | C41 W42 E47 C61 L62 | C41-C45 VanDerWaalsContact O-CB 3.3Å; C41-C45 WeakPolarHBondContact O-CB 3.4Å; C41-C45 PolarHBondContact O-N 3.05Å; W42-C45 PolarHBondContact O-N 3.31Å; C45-E47 PolarHBondContact O-N 3.08Å; C45-C61 WeakPolarHBondContact CA-SG 3.34Å; C45-C61 HydrophobicContact CB-CB 3.62Å; C45-C61 WeakPolarHBondContact CB-SG 3.34Å; C45-C61 WeakPolarHBondContact SG-CB 3.16Å; C45-C61 PolarHBondContact SG-O 3.21Å; C45-C61 CovalentContact SG-SG 2.04Å; C45-C61 PolarHBondContact SG-SG 2.91Å; C45-L62 HydrophobicContact CB-CD2 3.83Å; C45-L62 HydrophobicContact CB-CG 4.09Å |
| 46 | M | 93.3 | Very high | 92.8 | Very high | 40 Ų | 40 | 89.7 Ų | 89.7 | 20% | 0.197 | 51% | 0.505 | C | S | . | . | trans | -85.3 | 108.7 | 178.6 | -69.2 | -62.8 | -58 | 0 | 0 | 110.4 | W42 P50 T58 | W42-M46 HydrophobicContact CD2-CB 4.24Å; W42-M46 HydrophobicContact CD2-CG 3.51Å; W42-M46 HydrophobicContact CE3-CG 3.53Å; W42-M46 HydrophobicContact CE3-SD 4.34Å; W42-M46 HydrophobicContact CG-CB 4.48Å; W42-M46 HydrophobicContact CG-CG 4.09Å; W42-M46 HydrophobicContact CH2-CE 3.79Å; W42-M46 HydrophobicContact CH2-CG 3.9Å; W42-M46 HydrophobicContact CH2-SD 4.07Å; W42-M46 HydrophobicContact CZ2-CB 4.44Å; W42-M46 HydrophobicContact CZ2-CE 4.02Å; W42-M46 HydrophobicContact CZ2-CG 3.88Å; W42-M46 HydrophobicContact CZ3-CE 4.31Å; W42-M46 HydrophobicContact CZ3-CG 3.73Å; W42-M46 HydrophobicContact CZ3-SD 3.98Å; W42-M46 VanDerWaalsContact O-CB 3.31Å; W42-M46 WeakPolarHBondContact O-CB 3.42Å; W42-M46 PolarHBondContact O-N 3.47Å; M46-P50 HydrophobicContact CE-CB 4.07Å; M46-P50 HydrophobicContact CE-CG 3.88Å; M46-T58 HydrophobicContact SD-CG2 3.36Å; M46-T58 WeakPolarHBondContact SD-CG2 3.25Å | ||
| 47 | E | 88.1 | Confident | 92.7 | Very high | 173 Ų | 173 | 95.7 Ų | 95.7 | 81% | 0.808 | 52% | 0.523 | S | S | * | . | trans | -104.6 | 121.9 | 173.3 | -65.8 | -179.7 | -176.9 | 0 | 0 | 110.1 | C45 | C45-E47 PolarHBondContact O-N 3.08Š| ||
| 48 | G | 83.2 | Confident | 92.5 | Very high | 69 Ų | 69 | 94.9 Ų | 94.9 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 75.6 | -162.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 49 | S | 84.6 | Confident | 92.4 | Very high | 118 Ų | 118 | 96.9 Ų | 96.9 | 83% | 0.825 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -78.8 | 132.4 | -177.6 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | S51 | S49-S51 PolarHBondContact O-N 3.49Š|
| 50 | P | 84.1 | Confident | 92.4 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | trans | -57.8 | 134.8 | 175.5 | -21.4 | 30.7 | 0 | 0 | 0 | 111.9 | W42 M46 | W42-P50 HydrophobicContact CH2-CG 4.3Å; W42-P50 HydrophobicContact CZ2-CG 4.13Å; M46-P50 HydrophobicContact CE-CB 4.07Å; M46-P50 HydrophobicContact CE-CG 3.88Å | ||
| 51 | S | 85.1 | Confident | 92.4 | Very high | 95 Ų | 95 | 95.5 Ų | 95.5 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | trans | -84.2 | 174.3 | 169.1 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | S49 K53 | S49-S51 PolarHBondContact O-N 3.49Å; S51-K53 PolarHBondContact O-N 3.47Å; S51-K53 VanDerWaalsContact O-N 3.16Å | ||
| 52 | S | 91.6 | Very high | 92.4 | Very high | 121 Ų | 121 | 97.2 Ų | 97.2 | 85% | 0.846 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -63.4 | -16.1 | 174.2 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 53 | K | 90.4 | Very high | 92.5 | Very high | 169 Ų | 169 | 95.3 Ų | 95.3 | 74% | 0.735 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -138.7 | 143.5 | 173.4 | -62.6 | -174.4 | -179.6 | -176.3 | 0 | 109.5 | S51 | S51-K53 PolarHBondContact O-N 3.47Å; S51-K53 VanDerWaalsContact O-N 3.16Å |
| 54 | M | 90.1 | Very high | 92.6 | Very high | 101 Ų | 101 | 93 Ų | 93 | 50% | 0.498 | 52% | 0.519 | S | S | . | . | trans | -69.4 | 131.8 | 170.1 | -166.7 | 140.3 | 59.8 | 0 | 0 | 109.3 | T58 E59 L62 | M54-T58 HydrophobicContact CG-CG2 3.67Å; M54-T58 HydrophobicContact SD-CG2 3.58Å; M54-T58 VanDerWaalsContact SD-CG2 3.58Å; M54-E59 HydrophobicContact CE-CB 4.49Å; M54-E59 HydrophobicContact CG-CB 4.32Å; M54-L62 HydrophobicContact CE-CD1 3.7Å; M54-L62 HydrophobicContact SD-CD1 3.44Å; M54-L62 WeakPolarHBondContact SD-CD1 3.16Å | ||
| 55 | D | 91.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 87.2 Ų | 87.2 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | trans | -75.2 | 160.3 | 171.7 | 70.2 | 76.9 | 0 | 0 | 0 | 110.6 | R57 T58 E59 | D55-R57 VanDerWaalsContact C-N 3.25Å; D55-R57 PolarHBondContact O-N 3.15Å; D55-R57 WeakPolarHBondContact OD1-CA 3.46Å; D55-R57 VanDerWaalsContact OD1-CB 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 PolarHBondContact OD1-N 3.09Å; D55-T58 VanDerWaalsContact CG-OG1 3.32Å; D55-T58 PolarHBondContact O-N 3.05Å; D55-T58 PolarHBondContact OD1-N 2.69Å; D55-T58 PolarHBondContact OD1-OG1 3.4Å; D55-T58 PolarHBondContact OD2-OG1 3.17Å; D55-E59 PolarHBondContact O-N 2.95Å | ||
| 56 | S | 94.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 88.9 Ų | 88.9 | 64% | 0.643 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -26.4 | -175.1 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | T60 | S56-T60 VanDerWaalsContact O-CB 3.28Å; S56-T60 WeakPolarHBondContact O-CB 3Å; S56-T60 PolarHBondContact O-N 3.39Å; S56-T60 PolarHBondContact O-OG1 2.93Å |
| 57 | R | 94.4 | Very high | 93.1 | Very high | 199 Ų | 199 | 91 Ų | 91 | 75% | 0.751 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.3 | -45.6 | 177.7 | -179.7 | -174.1 | -67.4 | -178.6 | -1.2 | 109.7 | D55 T60 C61 | D55-R57 VanDerWaalsContact C-N 3.25Å; D55-R57 PolarHBondContact O-N 3.15Å; D55-R57 WeakPolarHBondContact OD1-CA 3.46Å; D55-R57 VanDerWaalsContact OD1-CB 3.25Å; D55-R57 WeakPolarHBondContact OD1-CB 3.45Å; D55-R57 PolarHBondContact OD1-N 3.09Å; R57-T60 PolarHBondContact O-N 3.08Å; R57-C61 WeakPolarHBondContact O-CB 3.49Å; R57-C61 PolarHBondContact O-N 3.25Å |
| 58 | T | 95 | Very high | 93.6 | Very high | 16 Ų | 16 | 91.4 Ų | 91.4 | 10% | 0.098 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 111 | M46 M54 D55 T60 C61 L62 | M46-T58 HydrophobicContact SD-CG2 3.36Å; M46-T58 WeakPolarHBondContact SD-CG2 3.25Å; M54-T58 HydrophobicContact CG-CG2 3.67Å; M54-T58 HydrophobicContact SD-CG2 3.58Å; M54-T58 VanDerWaalsContact SD-CG2 3.58Å; D55-T58 VanDerWaalsContact CG-OG1 3.32Å; D55-T58 PolarHBondContact O-N 3.05Å; D55-T58 PolarHBondContact OD1-N 2.69Å; D55-T58 PolarHBondContact OD1-OG1 3.4Å; D55-T58 PolarHBondContact OD2-OG1 3.17Å; T58-T60 PolarHBondContact O-N 3.29Å; T58-C61 WeakPolarHBondContact O-CB 3.3Å; T58-C61 PolarHBondContact O-N 3.05Å; T58-L62 WeakPolarHBondContact O-CG 3.45Å; T58-L62 PolarHBondContact O-N 3.09Å |
| 59 | E | 95.6 | Very high | 94.3 | Very high | 114 Ų | 114 | 91.5 Ų | 91.5 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 175.1 | -175.2 | 179.2 | 179.5 | 0 | 0 | 111.8 | M54 D55 C61 L62 V63 | M54-E59 HydrophobicContact CE-CB 4.49Å; M54-E59 HydrophobicContact CG-CB 4.32Å; D55-E59 PolarHBondContact O-N 2.95Å; E59-C61 VanDerWaalsContact C-N 3.28Å; E59-C61 PolarHBondContact O-N 3.09Å; E59-L62 PolarHBondContact O-N 3.25Å; E59-V63 WeakPolarHBondContact O-CG2 3.31Å; E59-V63 PolarHBondContact O-N 2.89Å; E59-V63 VanDerWaalsContact O-N 3.13Å |
| 60 | T | 97.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 89.6 Ų | 89.6 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -37.6 | 176.8 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | S56 R57 T58 N64 | S56-T60 VanDerWaalsContact O-CB 3.28Å; S56-T60 WeakPolarHBondContact O-CB 3Å; S56-T60 PolarHBondContact O-N 3.39Å; S56-T60 PolarHBondContact O-OG1 2.93Å; R57-T60 PolarHBondContact O-N 3.08Å; T58-T60 PolarHBondContact O-N 3.29Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.47Å; T60-N64 WeakPolarHBondContact O-CB 3.49Å; T60-N64 PolarHBondContact O-N 3.49Å; T60-N64 VanDerWaalsContact O-N 3.13Å; T60-N64 PolarHBondContact O-ND2 3.11Å |
| 61 | C | 97.9 | Very high | 95.6 | Very high | 45 Ų | 45 | 90.4 Ų | 90.4 | 30% | 0.304 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | C45 R57 T58 E59 V63 N64 C65 | C45-C61 WeakPolarHBondContact CA-SG 3.34Å; C45-C61 HydrophobicContact CB-CB 3.62Å; C45-C61 WeakPolarHBondContact CB-SG 3.34Å; C45-C61 WeakPolarHBondContact SG-CB 3.16Å; C45-C61 PolarHBondContact SG-O 3.21Å; C45-C61 CovalentContact SG-SG 2.04Å; C45-C61 PolarHBondContact SG-SG 2.91Å; R57-C61 WeakPolarHBondContact O-CB 3.49Å; R57-C61 PolarHBondContact O-N 3.25Å; T58-C61 WeakPolarHBondContact O-CB 3.3Å; T58-C61 PolarHBondContact O-N 3.05Å; E59-C61 VanDerWaalsContact C-N 3.28Å; E59-C61 PolarHBondContact O-N 3.09Å; C61-V63 PolarHBondContact O-N 3.37Å; C61-N64 PolarHBondContact O-N 2.92Å; C61-C65 VanDerWaalsContact O-CB 3.29Å; C61-C65 WeakPolarHBondContact O-CB 3.34Å; C61-C65 PolarHBondContact O-N 2.9Å |
| 62 | L | 97.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 89.5 Ų | 89.5 | 20% | 0.199 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | -179 | -72.1 | 171.7 | 0 | 0 | 0 | 111.9 | C41 C45 M54 T58 E59 C65 V66 | C41-L62 HydrophobicContact CB-CD2 3.91Å; C45-L62 HydrophobicContact CB-CD2 3.83Å; C45-L62 HydrophobicContact CB-CG 4.09Å; M54-L62 HydrophobicContact CE-CD1 3.7Å; M54-L62 HydrophobicContact SD-CD1 3.44Å; M54-L62 WeakPolarHBondContact SD-CD1 3.16Å; T58-L62 WeakPolarHBondContact O-CG 3.45Å; T58-L62 PolarHBondContact O-N 3.09Å; E59-L62 PolarHBondContact O-N 3.25Å; L62-C65 PolarHBondContact O-N 2.98Å; L62-V66 PolarHBondContact O-N 2.83Å; L62-V66 VanDerWaalsContact O-N 3.13Å |
| 63 | V | 98.2 | Very high | 96.4 | Very high | 78 Ų | 78 | 86.8 Ų | 86.8 | 47% | 0.473 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.7 | -53.4 | 175.7 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | E59 C61 C65 V66 D67 | E59-V63 WeakPolarHBondContact O-CG2 3.31Å; E59-V63 PolarHBondContact O-N 2.89Å; E59-V63 VanDerWaalsContact O-N 3.13Å; C61-V63 PolarHBondContact O-N 3.37Å; V63-C65 VanDerWaalsContact C-N 3.29Å; V63-C65 PolarHBondContact O-N 3.45Å; V63-V66 PolarHBondContact O-N 2.91Å; V63-D67 PolarHBondContact O-N 2.77Å; V63-D67 VanDerWaalsContact O-N 3.11Å |
| 64 | N | 98.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 83.3 Ų | 83.3 | 43% | 0.433 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 179.3 | -73.7 | -50.5 | 0 | 0 | 0 | 112.6 | T60 C61 R68 | T60-N64 WeakPolarHBondContact CG2-ND2 3.47Å; T60-N64 WeakPolarHBondContact O-CB 3.49Å; T60-N64 PolarHBondContact O-N 3.49Å; T60-N64 VanDerWaalsContact O-N 3.13Å; T60-N64 PolarHBondContact O-ND2 3.11Å; C61-N64 PolarHBondContact O-N 2.92Å; N64-R68 VanDerWaalsContact O-CB 3.25Å; N64-R68 WeakPolarHBondContact O-CB 3.46Å; N64-R68 WeakPolarHBondContact O-CG 3.46Å; N64-R68 PolarHBondContact O-N 3.18Å |
| 65 | C | 98.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 82.3 Ų | 82.3 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | -180 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | C41 C61 L62 V63 F69 | C41-C65 WeakPolarHBondContact CA-SG 3.46Å; C41-C65 HydrophobicContact CB-CB 3.74Å; C41-C65 WeakPolarHBondContact CB-SG 3.39Å; C41-C65 VanDerWaalsContact SG-C 3.59Å; C41-C65 WeakPolarHBondContact SG-CB 3.42Å; C41-C65 CovalentContact SG-SG 2.05Å; C41-C65 PolarHBondContact SG-SG 3.41Å; C61-C65 VanDerWaalsContact O-CB 3.29Å; C61-C65 WeakPolarHBondContact O-CB 3.34Å; C61-C65 PolarHBondContact O-N 2.9Å; L62-C65 PolarHBondContact O-N 2.98Å; V63-C65 VanDerWaalsContact C-N 3.29Å; V63-C65 PolarHBondContact O-N 3.45Å; C65-F69 WeakPolarHBondContact O-CB 3.4Å; C65-F69 PolarHBondContact O-N 3.38Å |
| 66 | V | 98.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 83.7 Ų | 83.7 | 27% | 0.267 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 178.7 | 178 | 0 | 0 | 0 | 0 | 110.8 | F37 L62 V63 R68 F69 I70 | F37-V66 HydrophobicContact CB-CG2 4.29Å; F37-V66 HydrophobicContact CD2-CG1 4.09Å; L62-V66 PolarHBondContact O-N 2.83Å; L62-V66 VanDerWaalsContact O-N 3.13Å; V63-V66 PolarHBondContact O-N 2.91Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 2.95Å; V66-F69 WeakPolarHBondContact O-CB 3.41Å; V66-F69 PolarHBondContact O-N 3.39Å; V66-F69 VanDerWaalsContact O-N 3.17Å; V66-I70 HydrophobicContact CG1-CD1 3.94Å; V66-I70 WeakPolarHBondContact O-CG1 3.5Å; V66-I70 PolarHBondContact O-N 3.36Å |
| 67 | D | 98.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 82.7 Ų | 82.7 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 179.5 | -72.3 | -18.8 | 0 | 0 | 0 | 111.1 | V63 F69 I70 D71 | V63-D67 PolarHBondContact O-N 2.77Å; V63-D67 VanDerWaalsContact O-N 3.11Å; D67-F69 VanDerWaalsContact C-N 3.33Å; D67-F69 PolarHBondContact O-N 2.93Å; D67-I70 PolarHBondContact O-N 2.9Å; D67-D71 WeakPolarHBondContact O-CB 3.47Å; D67-D71 PolarHBondContact O-N 2.87Å |
| 68 | R | 98.4 | Very high | 97.7 | Very high | 182 Ų | 182 | 76.9 Ų | 76.9 | 69% | 0.687 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.7 | -32.2 | 179.7 | -67.4 | -166.6 | 98 | 169.6 | 10.5 | 112.9 | N64 V66 T72 | N64-R68 VanDerWaalsContact O-CB 3.25Å; N64-R68 WeakPolarHBondContact O-CB 3.46Å; N64-R68 WeakPolarHBondContact O-CG 3.46Å; N64-R68 PolarHBondContact O-N 3.18Å; V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 2.95Å; R68-T72 WeakPolarHBondContact O-CB 3Å; R68-T72 PolarHBondContact O-N 3.35Å; R68-T72 PolarHBondContact O-OG1 3.16Å |
| 69 | F | 98.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 83.8 Ų | 83.8 | 31% | 0.311 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -47 | 175.1 | -170.3 | -78.1 | 0 | 0 | 0 | 110.7 | F37 V40 C65 V66 D67 T73 | F37-F69 AromaticContact CD1-CD1 3.94Å; F37-F69 HydrophobicContact CD1-CD1 3.94Å; F37-F69 HydrophobicContact CD1-CE1 4.2Å; F37-F69 HydrophobicContact CD1-CG 4.36Å; F37-F69 AromaticContact CE1-CD1 3.4Å; F37-F69 HydrophobicContact CE1-CD1 3.4Å; F37-F69 AromaticContact CE1-CE1 3.58Å; F37-F69 HydrophobicContact CE1-CE1 3.58Å; F37-F69 HydrophobicContact CE1-CG 4.23Å; F37-F69 HydrophobicContact CE1-CZ 4.49Å; F37-F69 HydrophobicContact CZ-CD1 4.3Å; V40-F69 HydrophobicContact CG1-CD2 4.24Å; V40-F69 HydrophobicContact CG1-CE2 4.31Å; C65-F69 WeakPolarHBondContact O-CB 3.4Å; C65-F69 PolarHBondContact O-N 3.38Å; V66-F69 WeakPolarHBondContact O-CB 3.41Å; V66-F69 PolarHBondContact O-N 3.39Å; V66-F69 VanDerWaalsContact O-N 3.17Å; D67-F69 VanDerWaalsContact C-N 3.33Å; D67-F69 PolarHBondContact O-N 2.93Å; F69-T73 WeakPolarHBondContact CE1-OG1 3Å; F69-T73 VanDerWaalsContact O-CB 3.31Å; F69-T73 WeakPolarHBondContact O-CB 3.48Å; F69-T73 PolarHBondContact O-N 2.91Å; F69-T73 PolarHBondContact O-OG1 2.95Å |
| 70 | I | 97.8 | Very high | 97.8 | Very high | 78 Ų | 78 | 84.5 Ų | 84.5 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -50.1 | 178.9 | -65.6 | 169.5 | 0 | 0 | 0 | 110.2 | F37 V66 D67 T72 T73 L74 | F37-I70 HydrophobicContact CE2-CD1 4.33Å; F37-I70 HydrophobicContact CE2-CG1 4.38Å; F37-I70 HydrophobicContact CZ-CG1 4.1Å; V66-I70 HydrophobicContact CG1-CD1 3.94Å; V66-I70 WeakPolarHBondContact O-CG1 3.5Å; V66-I70 PolarHBondContact O-N 3.36Å; D67-I70 PolarHBondContact O-N 2.9Å; I70-T72 VanDerWaalsContact C-N 3.33Å; I70-T72 PolarHBondContact O-N 2.93Å; I70-T73 PolarHBondContact O-N 3.33Å; I70-L74 WeakPolarHBondContact O-CB 3.46Å; I70-L74 PolarHBondContact O-N 2.04Å |
| 71 | D | 98.1 | Very high | 97.7 | Very high | 104 Ų | 104 | 83.6 Ų | 83.6 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.3 | -45.9 | 179.4 | -76.9 | -17.7 | 0 | 0 | 0 | 112 | D67 L74 S75 | D67-D71 WeakPolarHBondContact O-CB 3.47Å; D67-D71 PolarHBondContact O-N 2.87Å; D71-L74 PolarHBondContact O-N 2.05Å; D71-S75 VanDerWaalsContact O-CB 3.27Å; D71-S75 WeakPolarHBondContact O-CB 3.03Å; D71-S75 PolarHBondContact O-N 3.13Å |
| 72 | T | 97.5 | Very high | 97.6 | Very high | 76 Ų | 76 | 86.1 Ų | 86.1 | 47% | 0.466 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | -179.4 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | R68 I70 L74 S75 I76 | R68-T72 WeakPolarHBondContact O-CB 3Å; R68-T72 PolarHBondContact O-N 3.35Å; R68-T72 PolarHBondContact O-OG1 3.16Å; I70-T72 VanDerWaalsContact C-N 3.33Å; I70-T72 PolarHBondContact O-N 2.93Å; T72-L74 PolarHBondContact O-N 3.19Å; T72-S75 PolarHBondContact O-N 2.9Å; T72-I76 HydrophobicContact CG2-CD1 3.79Å; T72-I76 HydrophobicContact CG2-CG1 4.41Å; T72-I76 VanDerWaalsContact O-CG1 3.29Å; T72-I76 WeakPolarHBondContact O-CG1 3.08Å; T72-I76 PolarHBondContact O-N 3.32Å |
| 73 | T | 96.9 | Very high | 97.5 | Very high | 64 Ų | 64 | 88.9 Ų | 88.9 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 178.2 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | F69 I70 I76 T77 | F69-T73 WeakPolarHBondContact CE1-OG1 3Å; F69-T73 VanDerWaalsContact O-CB 3.31Å; F69-T73 WeakPolarHBondContact O-CB 3.48Å; F69-T73 PolarHBondContact O-N 2.91Å; F69-T73 PolarHBondContact O-OG1 2.95Å; I70-T73 PolarHBondContact O-N 3.33Å; T73-I76 PolarHBondContact O-N 2.98Å; T73-T77 VanDerWaalsContact O-CB 3.3Å; T73-T77 WeakPolarHBondContact O-CB 3.44Å; T73-T77 PolarHBondContact O-N 2.82Å; T73-T77 PolarHBondContact O-OG1 3.46Å |
| 74 | L | 97.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 89.1 Ų | 89.1 | 51% | 0.508 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 177.7 | -178.8 | 59.5 | 0 | 0 | 0 | 111.4 | I70 D71 T72 I76 T77 N78 | I70-L74 WeakPolarHBondContact O-CB 3.46Å; I70-L74 PolarHBondContact O-N 2.04Å; D71-L74 PolarHBondContact O-N 2.05Å; T72-L74 PolarHBondContact O-N 3.19Å; L74-I76 PolarHBondContact O-N 2.77Å; L74-T77 PolarHBondContact O-N 3.3Å; L74-N78 WeakPolarHBondContact CD1-ND2 3.36Å; L74-N78 WeakPolarHBondContact CG-ND2 3.44Å; L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.29Å; L74-N78 PolarHBondContact O-N 3.11Å; L74-N78 PolarHBondContact O-ND2 3.23Å |
| 75 | S | 97.8 | Very high | 97 | Very high | 80 Ų | 80 | 91.1 Ų | 91.1 | 56% | 0.559 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.1 | -47.6 | 177.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | D71 T72 R79 | D71-S75 VanDerWaalsContact O-CB 3.27Å; D71-S75 WeakPolarHBondContact O-CB 3.03Å; D71-S75 PolarHBondContact O-N 3.13Å; T72-S75 PolarHBondContact O-N 2.9Å; S75-R79 WeakPolarHBondContact O-CB 3.4Å; S75-R79 PolarHBondContact O-N 3.39Å |
| 76 | I | 97.5 | Very high | 96.4 | Very high | 111 Ų | 111 | 97.4 Ų | 97.4 | 57% | 0.569 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.5 | -47.5 | 177.3 | -67.8 | 169.7 | 0 | 0 | 0 | 110.7 | T72 T73 L74 N78 R79 F80 | T72-I76 HydrophobicContact CG2-CD1 3.79Å; T72-I76 HydrophobicContact CG2-CG1 4.41Å; T72-I76 VanDerWaalsContact O-CG1 3.29Å; T72-I76 WeakPolarHBondContact O-CG1 3.08Å; T72-I76 PolarHBondContact O-N 3.32Å; T73-I76 PolarHBondContact O-N 2.98Å; L74-I76 PolarHBondContact O-N 2.77Å; I76-N78 PolarHBondContact O-N 3.35Å; I76-R79 PolarHBondContact O-N 3.32Å; I76-F80 WeakPolarHBondContact O-CB 3.45Å; I76-F80 PolarHBondContact O-N 3.25Å |
| 77 | T | 97.6 | Very high | 95.3 | Very high | 72 Ų | 72 | 98.3 Ų | 98.3 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | -178.8 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | T73 L74 F80 T81 | T73-T77 VanDerWaalsContact O-CB 3.3Å; T73-T77 WeakPolarHBondContact O-CB 3.44Å; T73-T77 PolarHBondContact O-N 2.82Å; T73-T77 PolarHBondContact O-OG1 3.46Å; L74-T77 PolarHBondContact O-N 3.3Å; T77-F80 PolarHBondContact O-N 3.48Å; T77-T81 WeakPolarHBondContact O-CB 3.37Å; T77-T81 PolarHBondContact O-N 2.74Å; T77-T81 PolarHBondContact O-OG1 3.13Å |
| 78 | N | 97.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 98.4 Ų | 98.4 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 177 | -74.9 | -23.3 | 0 | 0 | 0 | 111.3 | L74 I76 F80 T81 Q82 | L74-N78 WeakPolarHBondContact CD1-ND2 3.36Å; L74-N78 WeakPolarHBondContact CG-ND2 3.44Å; L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.29Å; L74-N78 PolarHBondContact O-N 3.11Å; L74-N78 PolarHBondContact O-ND2 3.23Å; I76-N78 PolarHBondContact O-N 3.35Å; N78-F80 VanDerWaalsContact C-N 3.34Å; N78-F80 PolarHBondContact O-N 3.19Å; N78-T81 PolarHBondContact O-N 3.39Å; N78-Q82 VanDerWaalsContact O-CG 3.3Å; N78-Q82 WeakPolarHBondContact O-CG 3.47Å; N78-Q82 PolarHBondContact O-N 3.13Å |
| 79 | R | 96.4 | Very high | 91.3 | Very high | 160 Ų | 160 | 100.5 Ų | 100.5 | 60% | 0.604 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 176.6 | 178.9 | 56.7 | 177 | -94.6 | -0.2 | 111.4 | S75 I76 Q82 M83 | S75-R79 WeakPolarHBondContact O-CB 3.4Å; S75-R79 PolarHBondContact O-N 3.39Å; I76-R79 PolarHBondContact O-N 3.32Å; R79-Q82 PolarHBondContact O-N 2.72Å; R79-M83 HydrophobicContact CG-CE 4.38Å; R79-M83 WeakPolarHBondContact O-CG 3.28Å; R79-M83 PolarHBondContact O-N 2.97Å; R79-M83 VanDerWaalsContact O-N 3.1Å |
| 80 | F | 97.1 | Very high | 91 | Very high | 130 Ų | 130 | 102 Ų | 102 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 177.8 | -174.3 | -101.3 | 0 | 0 | 0 | 111.7 | I76 T77 N78 Q82 M83 V84 | I76-F80 WeakPolarHBondContact O-CB 3.45Å; I76-F80 PolarHBondContact O-N 3.25Å; T77-F80 PolarHBondContact O-N 3.48Å; N78-F80 VanDerWaalsContact C-N 3.34Å; N78-F80 PolarHBondContact O-N 3.19Å; F80-Q82 VanDerWaalsContact C-N 3.31Å; F80-Q82 PolarHBondContact O-N 2.86Å; F80-M83 HydrophobicContact CD2-CE 4.14Å; F80-M83 PolarHBondContact O-N 3.36Å; F80-V84 HydrophobicContact CD1-CG2 4.07Å; F80-V84 HydrophobicContact CE1-CG2 3.64Å; F80-V84 HydrophobicContact CE2-CG2 4.38Å; F80-V84 HydrophobicContact CZ-CG2 3.82Å; F80-V84 WeakPolarHBondContact O-CG2 3.44Å; F80-V84 PolarHBondContact O-N 3.26Å |
| 81 | T | 96.4 | Very high | 90.6 | Very high | 60 Ų | 60 | 103.2 Ų | 103.2 | 37% | 0.368 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -55.2 | -45.4 | 175.8 | -59 | 0 | 0 | 0 | 0 | 111.8 | T77 N78 M83 V84 Q85 | T77-T81 WeakPolarHBondContact O-CB 3.37Å; T77-T81 PolarHBondContact O-N 2.74Å; T77-T81 PolarHBondContact O-OG1 3.13Å; N78-T81 PolarHBondContact O-N 3.39Å; T81-M83 VanDerWaalsContact C-N 3.32Å; T81-M83 PolarHBondContact O-N 3.02Å; T81-V84 PolarHBondContact O-N 2.86Å; T81-Q85 WeakPolarHBondContact O-CG 3.47Å; T81-Q85 PolarHBondContact O-N 3.27Å |
| 82 | Q | 94.8 | Very high | 90.2 | Very high | 99 Ų | 99 | 103.2 Ų | 103.2 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.4 | -36.8 | 176.9 | -71.4 | 172.6 | 26.6 | 0 | 0 | 113 | N78 R79 F80 K86 | N78-Q82 VanDerWaalsContact O-CG 3.3Å; N78-Q82 WeakPolarHBondContact O-CG 3.47Å; N78-Q82 PolarHBondContact O-N 3.13Å; R79-Q82 PolarHBondContact O-N 2.72Å; F80-Q82 VanDerWaalsContact C-N 3.31Å; F80-Q82 PolarHBondContact O-N 2.86Å; Q82-K86 WeakPolarHBondContact O-CB 3.25Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.37Å; Q82-K86 PolarHBondContact O-N 3.01Å; Q82-K86 VanDerWaalsContact O-N 3.16Å |
| 83 | M | 95.1 | Very high | 89.8 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 47% | 0.473 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -43.1 | 177.4 | -69.3 | -173.7 | -57.7 | 0 | 0 | 111.6 | R79 F80 T81 K86 G87 | R79-M83 HydrophobicContact CG-CE 4.38Å; R79-M83 WeakPolarHBondContact O-CG 3.28Å; R79-M83 PolarHBondContact O-N 2.97Å; R79-M83 VanDerWaalsContact O-N 3.1Å; F80-M83 HydrophobicContact CD2-CE 4.14Å; F80-M83 PolarHBondContact O-N 3.36Å; T81-M83 VanDerWaalsContact C-N 3.32Å; T81-M83 PolarHBondContact O-N 3.02Å; M83-K86 PolarHBondContact O-N 3.43Å; M83-G87 PolarHBondContact O-N 2.77Å |
| 84 | V | 95.3 | Very high | 89.3 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.7 | -44.4 | 176.9 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | F80 T81 K86 G87 A88 | F80-V84 HydrophobicContact CD1-CG2 4.07Å; F80-V84 HydrophobicContact CE1-CG2 3.64Å; F80-V84 HydrophobicContact CE2-CG2 4.38Å; F80-V84 HydrophobicContact CZ-CG2 3.82Å; F80-V84 WeakPolarHBondContact O-CG2 3.44Å; F80-V84 PolarHBondContact O-N 3.26Å; T81-V84 PolarHBondContact O-N 2.86Å; V84-K86 VanDerWaalsContact C-N 3.33Å; V84-K86 PolarHBondContact O-N 3.27Å; V84-G87 PolarHBondContact O-N 2.9Å; V84-A88 PolarHBondContact O-N 3.16Å |
| 85 | Q | 91.8 | Very high | 88.8 | Confident | 123 Ų | 123 | 108 Ų | 108 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.1 | -37.9 | 177.5 | -72.7 | 173.2 | -6.8 | 0 | 0 | 112.7 | T81 | T81-Q85 WeakPolarHBondContact O-CG 3.47Å; T81-Q85 PolarHBondContact O-N 3.27Å |
| 86 | K | 85.6 | Confident | 88.1 | Confident | 156 Ų | 156 | 110 Ų | 110 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.4 | -31.3 | 179 | -74.9 | 175.7 | -179.7 | -179.5 | 0 | 113.7 | Q82 M83 V84 A88 | Q82-K86 WeakPolarHBondContact O-CB 3.25Å; Q82-K86 VanDerWaalsContact O-CG 3.28Å; Q82-K86 WeakPolarHBondContact O-CG 3.37Å; Q82-K86 PolarHBondContact O-N 3.01Å; Q82-K86 VanDerWaalsContact O-N 3.16Å; M83-K86 PolarHBondContact O-N 3.43Å; V84-K86 VanDerWaalsContact C-N 3.33Å; V84-K86 PolarHBondContact O-N 3.27Å; K86-A88 VanDerWaalsContact C-N 3.33Å |
| 87 | G | 75 | Confident | 87.4 | Confident | 64 Ų | 64 | 109.9 Ų | 109.9 | 66% | 0.66 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -83.4 | -5.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M83 V84 H89 | M83-G87 PolarHBondContact O-N 2.77Å; V84-G87 PolarHBondContact O-N 2.9Å; G87-H89 VanDerWaalsContact C-N 3.25Å |
| 88 | A | 63.8 | Low | 86.6 | Confident | 84 Ų | 84 | 113.1 Ų | 113.1 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 3.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V84 K86 | V84-A88 PolarHBondContact O-N 3.16Å; K86-A88 VanDerWaalsContact C-N 3.33Å |
| 89 | H | 50.3 | Low | 85.6 | Confident | 226 Ų | 226 | 116.4 Ų | 116.4 | 100% | 1.046 | 60% | 0.603 | S | S | * | * | trans | -116.9 | 0 | 170.1 | -70.5 | -61.7 | 0 | 0 | 0 | 109.6 | G87 | G87-H89 VanDerWaalsContact C-N 3.25Š|
Retrieved 89 of 89 residues in 70.4 ms
(Link to these results)