| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.8 | Low | 77.4 | Confident | 218 Ų | 218 | 115.9 Ų | 115.9 | 100% | 1.074 | 64% | 0.635 | S | S | * | * | 0 | -28.3 | 0 | -62.4 | -60.1 | -112.9 | 0 | 0 | 114.1 | S3 | M1-S3 PolarHBondContact O-N 3.5Š| |||
| 2 | A | 56.5 | Low | 78.9 | Confident | 78 Ų | 78 | 114.4 Ų | 114.4 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.6 | -25 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S5 | A2-S5 PolarHBondContact O-OG 3.26Å |
| 3 | S | 61.3 | Low | 80.1 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.5 | -32.2 | -177.4 | 174 | 0 | 0 | 0 | 0 | 113.5 | M1 G7 | M1-S3 PolarHBondContact O-N 3.5Å; S3-G7 PolarHBondContact O-N 3.49Å |
| 4 | Q | 64.8 | Low | 81.2 | Confident | 147 Ų | 147 | 109.8 Ų | 109.8 | 69% | 0.687 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.9 | -35.4 | -177.6 | -159.7 | -166.7 | 29.7 | 0 | 0 | 112.4 | I8 | Q4-I8 HydrophobicContact CG-CD1 4.44Å; Q4-I8 WeakPolarHBondContact O-CD1 3.44Å; Q4-I8 WeakPolarHBondContact O-CG1 3.41Å; Q4-I8 PolarHBondContact O-N 3.15Å |
| 5 | S | 75.9 | Confident | 82.2 | Confident | 71 Ų | 71 | 111.3 Ų | 111.3 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.6 | -31.8 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | A2 Q9 | A2-S5 PolarHBondContact O-OG 3.26Å; S5-Q9 PolarHBondContact O-N 3.4Å; S5-Q9 VanDerWaalsContact O-N 3.11Å |
| 6 | Q | 84.4 | Confident | 83.1 | Confident | 138 Ų | 138 | 112.8 Ų | 112.8 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.2 | -39.1 | -178.7 | -163.2 | 165.3 | 4.8 | 0 | 0 | 112.1 | Q9 Q10 | Q6-Q9 PolarHBondContact O-N 3.25Å; Q6-Q10 PolarHBondContact O-N 3.49Å; Q6-Q10 VanDerWaalsContact O-N 3.15Å |
| 7 | G | 90.1 | Very high | 83.9 | Confident | 31 Ų | 31 | 115.4 Ų | 115.4 | 32% | 0.32 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S3 Q9 Q10 L11 | S3-G7 PolarHBondContact O-N 3.49Å; G7-Q9 PolarHBondContact O-N 3.46Å; G7-Q10 WeakPolarHBondContact O-CB 3.47Å; G7-Q10 PolarHBondContact O-N 3.11Å; G7-L11 WeakPolarHBondContact O-CG 3.34Å; G7-L11 PolarHBondContact O-N 3.27Å; G7-L11 VanDerWaalsContact O-N 3.09Å |
| 8 | I | 89.3 | Confident | 84.6 | Confident | 91 Ų | 91 | 112.1 Ų | 112.1 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.8 | -43 | 176.3 | -67.6 | 167.5 | 0 | 0 | 0 | 111 | Q4 Q10 L11 L12 | Q4-I8 HydrophobicContact CG-CD1 4.44Å; Q4-I8 WeakPolarHBondContact O-CD1 3.44Å; Q4-I8 WeakPolarHBondContact O-CG1 3.41Å; Q4-I8 PolarHBondContact O-N 3.15Å; I8-Q10 VanDerWaalsContact C-N 3.31Å; I8-Q10 PolarHBondContact O-N 2.93Å; I8-L11 PolarHBondContact O-N 3.43Å; I8-L12 HydrophobicContact CG2-CD1 3.97Å; I8-L12 HydrophobicContact CG2-CG 4.46Å; I8-L12 WeakPolarHBondContact O-CG 3.4Å; I8-L12 PolarHBondContact O-N 3.09Å |
| 9 | Q | 90.3 | Very high | 85.2 | Confident | 137 Ų | 137 | 109.4 Ų | 109.4 | 64% | 0.64 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.4 | -39.5 | 175.7 | -105.3 | 176.5 | -27.2 | 0 | 0 | 112.7 | S5 Q6 G7 L12 Q13 | S5-Q9 PolarHBondContact O-N 3.4Å; S5-Q9 VanDerWaalsContact O-N 3.11Å; Q6-Q9 PolarHBondContact O-N 3.25Å; G7-Q9 PolarHBondContact O-N 3.46Å; Q9-L12 PolarHBondContact O-N 2.98Å; Q9-Q13 WeakPolarHBondContact O-CB 3.5Å; Q9-Q13 PolarHBondContact O-N 3.43Å |
| 10 | Q | 93.5 | Very high | 85.9 | Confident | 134 Ų | 134 | 109.2 Ų | 109.2 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.5 | -42.2 | 177.1 | -121.9 | 174.1 | -0.6 | 0 | 0 | 112 | Q6 G7 I8 Q13 A14 | Q6-Q10 PolarHBondContact O-N 3.49Å; Q6-Q10 VanDerWaalsContact O-N 3.15Å; G7-Q10 WeakPolarHBondContact O-CB 3.47Å; G7-Q10 PolarHBondContact O-N 3.11Å; I8-Q10 VanDerWaalsContact C-N 3.31Å; I8-Q10 PolarHBondContact O-N 2.93Å; Q10-Q13 PolarHBondContact O-N 3.37Å; Q10-A14 WeakPolarHBondContact O-CB 3.48Å; Q10-A14 PolarHBondContact O-N 3.09Å |
| 11 | L | 93.6 | Very high | 86.4 | Confident | 125 Ų | 125 | 111.7 Ų | 111.7 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -45.6 | 176 | -69.4 | 172.4 | 0 | 0 | 0 | 111.7 | G7 I8 Q13 A14 E15 | G7-L11 WeakPolarHBondContact O-CG 3.34Å; G7-L11 PolarHBondContact O-N 3.27Å; G7-L11 VanDerWaalsContact O-N 3.09Å; I8-L11 PolarHBondContact O-N 3.43Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 3.35Å; L11-A14 PolarHBondContact O-N 2.99Å; L11-E15 WeakPolarHBondContact O-CB 3.38Å; L11-E15 PolarHBondContact O-N 3.48Å |
| 12 | L | 94.8 | Very high | 88.6 | Confident | 98 Ų | 98 | 105 Ų | 105 | 51% | 0.513 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.6 | -39 | 176 | -72.3 | 168.2 | 0 | 0 | 0 | 112 | I8 Q9 E15 K16 | I8-L12 HydrophobicContact CG2-CD1 3.97Å; I8-L12 HydrophobicContact CG2-CG 4.46Å; I8-L12 WeakPolarHBondContact O-CG 3.4Å; I8-L12 PolarHBondContact O-N 3.09Å; Q9-L12 PolarHBondContact O-N 2.98Å; L12-E15 PolarHBondContact O-N 3.44Å; L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å |
| 13 | Q | 95.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.9 | -37.6 | 177.4 | -156.8 | 179 | 38.4 | 0 | 0 | 111.9 | Q9 Q10 L11 R17 | Q9-Q13 WeakPolarHBondContact O-CB 3.5Å; Q9-Q13 PolarHBondContact O-N 3.43Å; Q10-Q13 PolarHBondContact O-N 3.37Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 3.35Å; Q13-R17 WeakPolarHBondContact O-CG 3.03Å; Q13-R17 PolarHBondContact O-N 2.84Å; Q13-R17 VanDerWaalsContact O-N 3.09Å |
| 14 | A | 95.5 | Very high | 92.3 | Very high | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q10 L11 R17 A18 | Q10-A14 WeakPolarHBondContact O-CB 3.48Å; Q10-A14 PolarHBondContact O-N 3.09Å; L11-A14 PolarHBondContact O-N 2.99Å; A14-R17 PolarHBondContact O-N 3.19Å; A14-A18 WeakPolarHBondContact O-CB 3.45Å; A14-A18 PolarHBondContact O-N 3Å |
| 15 | E | 95.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.5 | -47.1 | 175.9 | -173.1 | 179.8 | 179.9 | 0 | 0 | 111.1 | L11 L12 R17 A18 A19 | L11-E15 WeakPolarHBondContact O-CB 3.38Å; L11-E15 PolarHBondContact O-N 3.48Å; L12-E15 PolarHBondContact O-N 3.44Å; E15-R17 PolarHBondContact O-N 2.98Å; E15-A18 PolarHBondContact O-N 3.34Å; E15-A19 WeakPolarHBondContact O-CB 3.44Å; E15-A19 PolarHBondContact O-N 2.88Å |
| 16 | K | 96.9 | Very high | 94.9 | Very high | 135 Ų | 135 | 106.7 Ų | 106.7 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.7 | -47.1 | 176.3 | -174.2 | 175.4 | 176.6 | 178.9 | 0 | 112 | L12 A18 A19 E20 | L12-K16 WeakPolarHBondContact O-CB 3.48Å; L12-K16 PolarHBondContact O-N 3.34Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.9Å; K16-A19 PolarHBondContact O-N 3.23Å; K16-E20 WeakPolarHBondContact CE-OE1 3.34Å; K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 WeakPolarHBondContact O-CG 3.33Å; K16-E20 PolarHBondContact O-N 3.25Å |
| 17 | R | 96.3 | Very high | 95.6 | Very high | 157 Ų | 157 | 107.9 Ų | 107.9 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.8 | -39.9 | 177.5 | -73.3 | 176.4 | -175.7 | 172.5 | 4.7 | 112.2 | Q13 A14 E15 K21 | Q13-R17 WeakPolarHBondContact O-CG 3.03Å; Q13-R17 PolarHBondContact O-N 2.84Å; Q13-R17 VanDerWaalsContact O-N 3.09Å; A14-R17 PolarHBondContact O-N 3.19Å; E15-R17 PolarHBondContact O-N 2.98Å; R17-K21 WeakPolarHBondContact O-CB 3.39Å; R17-K21 PolarHBondContact O-N 3.45Å |
| 18 | A | 96.9 | Very high | 95.9 | Very high | 56 Ų | 56 | 112.8 Ų | 112.8 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A14 E15 K16 K21 V22 | A14-A18 WeakPolarHBondContact O-CB 3.45Å; A14-A18 PolarHBondContact O-N 3Å; E15-A18 PolarHBondContact O-N 3.34Å; K16-A18 VanDerWaalsContact C-N 3.34Å; K16-A18 PolarHBondContact O-N 2.9Å; A18-K21 PolarHBondContact O-N 2.99Å; A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.07Å |
| 19 | A | 96.9 | Very high | 96.4 | Very high | 61 Ų | 61 | 115 Ų | 115 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E15 K16 V22 A23 | E15-A19 WeakPolarHBondContact O-CB 3.44Å; E15-A19 PolarHBondContact O-N 2.88Å; K16-A19 PolarHBondContact O-N 3.23Å; A19-V22 PolarHBondContact O-N 2.86Å; A19-A23 WeakPolarHBondContact O-CB 3.38Å; A19-A23 PolarHBondContact O-N 2.85Å |
| 20 | E | 97.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 113.5 Ų | 113.5 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.1 | -46.6 | 176 | -75.4 | 171.8 | -178.7 | 0 | 0 | 111.5 | K16 V22 A23 E24 | K16-E20 WeakPolarHBondContact CE-OE1 3.34Å; K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 WeakPolarHBondContact O-CG 3.33Å; K16-E20 PolarHBondContact O-N 3.25Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 3.39Å; E20-A23 PolarHBondContact O-N 2.92Å; E20-E24 WeakPolarHBondContact O-CB 3.35Å; E20-E24 PolarHBondContact O-N 3.32Å |
| 21 | K | 97.8 | Very high | 96.9 | Very high | 163 Ų | 163 | 115.1 Ų | 115.1 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.9 | -41.3 | 178.4 | -171.8 | 173.2 | -176.2 | 174.5 | 0 | 112.2 | R17 A18 A25 | R17-K21 WeakPolarHBondContact O-CB 3.39Å; R17-K21 PolarHBondContact O-N 3.45Å; A18-K21 PolarHBondContact O-N 2.99Å; K21-A25 WeakPolarHBondContact O-CB 3.34Å; K21-A25 PolarHBondContact O-N 3.34Å; K21-A25 VanDerWaalsContact O-N 3.07Å |
| 22 | V | 97.9 | Very high | 97.1 | Very high | 78 Ų | 78 | 116.1 Ų | 116.1 | 47% | 0.473 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.2 | -42.1 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | A18 A19 E20 A25 R26 | A18-V22 WeakPolarHBondContact O-CG2 3.39Å; A18-V22 PolarHBondContact O-N 3.07Å; A19-V22 PolarHBondContact O-N 2.86Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 3.39Å; V22-A25 PolarHBondContact O-N 2.91Å; V22-R26 WeakPolarHBondContact O-CG 3.41Å; V22-R26 PolarHBondContact O-N 2.97Å |
| 23 | A | 97.7 | Very high | 97.3 | Very high | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.4 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A19 E20 R26 K27 | A19-A23 WeakPolarHBondContact O-CB 3.38Å; A19-A23 PolarHBondContact O-N 2.85Å; E20-A23 PolarHBondContact O-N 2.92Å; A23-R26 PolarHBondContact O-N 3.47Å; A23-K27 WeakPolarHBondContact O-CB 3.45Å; A23-K27 PolarHBondContact O-N 3.41Å |
| 24 | E | 97.6 | Very high | 97.4 | Very high | 140 Ų | 140 | 117.4 Ų | 117.4 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -43.9 | 176.2 | -167.2 | -174.4 | 171.7 | 0 | 0 | 111.6 | E20 R26 K27 R28 | E20-E24 WeakPolarHBondContact O-CB 3.35Å; E20-E24 PolarHBondContact O-N 3.32Å; E24-R26 PolarHBondContact O-N 3.27Å; E24-K27 PolarHBondContact O-N 3.44Å; E24-R28 WeakPolarHBondContact O-CB 3.39Å; E24-R28 PolarHBondContact O-N 3.35Å |
| 25 | A | 97.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 118.9 Ų | 118.9 | 50% | 0.504 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.3 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K21 V22 R28 K29 | K21-A25 WeakPolarHBondContact O-CB 3.34Å; K21-A25 PolarHBondContact O-N 3.34Å; K21-A25 VanDerWaalsContact O-N 3.07Å; V22-A25 PolarHBondContact O-N 2.91Å; A25-R28 PolarHBondContact O-N 2.89Å; A25-K29 WeakPolarHBondContact O-CB 3.48Å; A25-K29 PolarHBondContact O-N 3.33Å |
| 26 | R | 97.9 | Very high | 97.6 | Very high | 177 Ų | 177 | 115.2 Ų | 115.2 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.2 | -45 | 175.2 | -72.5 | -180 | -178.7 | -153.8 | 1.6 | 111.7 | V22 A23 E24 R28 K29 N30 | V22-R26 WeakPolarHBondContact O-CG 3.41Å; V22-R26 PolarHBondContact O-N 2.97Å; A23-R26 PolarHBondContact O-N 3.47Å; E24-R26 PolarHBondContact O-N 3.27Å; R26-R28 PolarHBondContact O-N 2.76Å; R26-K29 PolarHBondContact O-N 2.9Å; R26-N30 PolarHBondContact O-N 3.27Å |
| 27 | K | 97.8 | Very high | 97.6 | Very high | 164 Ų | 164 | 116 Ų | 116 | 71% | 0.713 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.5 | -44.2 | 176.6 | -172.2 | 177.9 | -179 | 179.6 | 0 | 111.3 | A23 E24 N30 R31 | A23-K27 WeakPolarHBondContact O-CB 3.45Å; A23-K27 PolarHBondContact O-N 3.41Å; E24-K27 PolarHBondContact O-N 3.44Å; K27-N30 PolarHBondContact O-N 2.93Å; K27-R31 WeakPolarHBondContact O-CB 3.38Å; K27-R31 PolarHBondContact O-N 3Å |
| 28 | R | 98 | Very high | 97.7 | Very high | 134 Ų | 134 | 113.7 Ų | 113.7 | 51% | 0.506 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 177.1 | -175.9 | 176.5 | 176 | 168.7 | -0.8 | 112.1 | E24 A25 R26 R31 R32 | E24-R28 WeakPolarHBondContact O-CB 3.39Å; E24-R28 PolarHBondContact O-N 3.35Å; A25-R28 PolarHBondContact O-N 2.89Å; R26-R28 PolarHBondContact O-N 2.76Å; R28-R31 PolarHBondContact O-N 3.21Å; R28-R32 VanDerWaalsContact NH2-NH2 3.18Å; R28-R32 PolarHBondContact O-N 2.94Å |
| 29 | K | 98 | Very high | 97.7 | Very high | 136 Ų | 136 | 116.2 Ų | 116.2 | 59% | 0.591 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.4 | -50.6 | 175 | -178.9 | -175.6 | 173.6 | -177 | 0 | 110.8 | A25 R26 R31 R32 L33 | A25-K29 WeakPolarHBondContact O-CB 3.48Å; A25-K29 PolarHBondContact O-N 3.33Å; R26-K29 PolarHBondContact O-N 2.9Å; K29-R31 VanDerWaalsContact C-N 3.32Å; K29-R31 PolarHBondContact O-N 3.42Å; K29-R32 PolarHBondContact O-N 2.99Å; K29-L33 HydrophobicContact CG-CD1 4.15Å; K29-L33 WeakPolarHBondContact O-CG 3.2Å; K29-L33 PolarHBondContact O-N 3.31Å |
| 30 | N | 97.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 115.4 Ų | 115.4 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 179.9 | -73.3 | -3.3 | 0 | 0 | 0 | 112.1 | R26 K27 L33 K34 | R26-N30 PolarHBondContact O-N 3.27Å; K27-N30 PolarHBondContact O-N 2.93Å; N30-L33 PolarHBondContact O-N 3.47Å; N30-K34 PolarHBondContact O-N 2.98Å |
| 31 | R | 98.1 | Very high | 97.8 | Very high | 168 Ų | 168 | 117.1 Ų | 117.1 | 63% | 0.634 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.4 | -47.3 | 174.6 | -170.2 | 179.1 | 75.3 | -172.5 | 3.9 | 111.8 | K27 R28 K29 L33 K34 Q35 | K27-R31 WeakPolarHBondContact O-CB 3.38Å; K27-R31 PolarHBondContact O-N 3Å; R28-R31 PolarHBondContact O-N 3.21Å; K29-R31 VanDerWaalsContact C-N 3.32Å; K29-R31 PolarHBondContact O-N 3.42Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.95Å; R31-K34 PolarHBondContact O-N 3.4Å; R31-Q35 WeakPolarHBondContact O-CB 3.39Å; R31-Q35 PolarHBondContact O-N 3.41Å |
| 32 | R | 97.9 | Very high | 97.8 | Very high | 147 Ų | 147 | 111.8 Ų | 111.8 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 178 | -78.2 | -171.6 | 169.2 | -172.6 | -4.9 | 112.5 | R28 K29 Q35 A36 | R28-R32 VanDerWaalsContact NH2-NH2 3.18Å; R28-R32 PolarHBondContact O-N 2.94Å; K29-R32 PolarHBondContact O-N 2.99Å; R32-Q35 PolarHBondContact O-N 3.07Å; R32-A36 WeakPolarHBondContact O-CB 3.49Å; R32-A36 PolarHBondContact O-N 3.29Å |
| 33 | L | 97.4 | Very high | 97.8 | Very high | 96 Ų | 96 | 114.8 Ų | 114.8 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.8 | -40 | 175.8 | -72.4 | 173.2 | 0 | 0 | 0 | 112.2 | K29 N30 R31 K37 | K29-L33 HydrophobicContact CG-CD1 4.15Å; K29-L33 WeakPolarHBondContact O-CG 3.2Å; K29-L33 PolarHBondContact O-N 3.31Å; N30-L33 PolarHBondContact O-N 3.47Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L33 PolarHBondContact O-N 2.95Å; L33-K37 WeakPolarHBondContact O-CG 3.37Å; L33-K37 PolarHBondContact O-N 2.93Å |
| 34 | K | 97.9 | Very high | 97.8 | Very high | 136 Ų | 136 | 117.5 Ų | 117.5 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.9 | -46.4 | 176.2 | -171 | 175.3 | 174.8 | -175.3 | 0 | 111.3 | N30 R31 A36 K37 E38 | N30-K34 PolarHBondContact O-N 2.98Å; R31-K34 PolarHBondContact O-N 3.4Å; K34-A36 PolarHBondContact O-N 3.45Å; K34-K37 WeakPolarHBondContact O-CB 3.42Å; K34-K37 PolarHBondContact O-N 3.25Å; K34-K37 VanDerWaalsContact O-N 3.17Å; K34-E38 WeakPolarHBondContact CE-OE1 3.5Å; K34-E38 IonicContact NZ-OE1 3.91Å; K34-E38 PolarHBondContact O-N 3.35Å |
| 35 | Q | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 114.7 Ų | 114.7 | 41% | 0.407 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.8 | -47 | 176.6 | -178.3 | 176.5 | 1.8 | 0 | 0 | 111.8 | R31 R32 K37 E38 E39 | R31-Q35 WeakPolarHBondContact O-CB 3.39Å; R31-Q35 PolarHBondContact O-N 3.41Å; R32-Q35 PolarHBondContact O-N 3.07Å; Q35-K37 VanDerWaalsContact C-N 3.27Å; Q35-K37 PolarHBondContact O-N 2.86Å; Q35-E38 PolarHBondContact O-N 3.17Å; Q35-E38 VanDerWaalsContact O-N 3.17Å; Q35-E39 HydrophobicContact CG-CG 4.29Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.38Å; Q35-E39 PolarHBondContact NE2-OE1 3.37Å; Q35-E39 WeakPolarHBondContact O-CB 3.3Å; Q35-E39 WeakPolarHBondContact O-CG 3.44Å; Q35-E39 PolarHBondContact O-N 3.48Å |
| 36 | A | 97.8 | Very high | 97.8 | Very high | 55 Ų | 55 | 117.9 Ų | 117.9 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -36.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R32 K34 A40 | R32-A36 WeakPolarHBondContact O-CB 3.49Å; R32-A36 PolarHBondContact O-N 3.29Å; K34-A36 PolarHBondContact O-N 3.45Å; A36-A40 VanDerWaalsContact O-CB 3.3Å; A36-A40 WeakPolarHBondContact O-CB 3.44Å; A36-A40 PolarHBondContact O-N 3.26Å |
| 37 | K | 97.6 | Very high | 97.8 | Very high | 152 Ų | 152 | 116.3 Ų | 116.3 | 66% | 0.661 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.3 | -44.7 | 174.8 | -73.2 | -177.7 | 178 | -169.5 | 0 | 112 | L33 K34 Q35 Q41 | L33-K37 WeakPolarHBondContact O-CG 3.37Å; L33-K37 PolarHBondContact O-N 2.93Å; K34-K37 WeakPolarHBondContact O-CB 3.42Å; K34-K37 PolarHBondContact O-N 3.25Å; K34-K37 VanDerWaalsContact O-N 3.17Å; Q35-K37 VanDerWaalsContact C-N 3.27Å; Q35-K37 PolarHBondContact O-N 2.86Å; K37-Q41 VanDerWaalsContact O-CB 3.31Å; K37-Q41 WeakPolarHBondContact O-CB 3.44Å; K37-Q41 PolarHBondContact O-N 2.91Å |
| 38 | E | 97.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 115 Ų | 115 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 179 | -72.7 | 172.2 | 175.8 | 0 | 0 | 111.4 | K34 Q35 Q41 A42 | K34-E38 WeakPolarHBondContact CE-OE1 3.5Å; K34-E38 IonicContact NZ-OE1 3.91Å; K34-E38 PolarHBondContact O-N 3.35Å; Q35-E38 PolarHBondContact O-N 3.17Å; Q35-E38 VanDerWaalsContact O-N 3.17Å; E38-Q41 PolarHBondContact O-N 3.36Å; E38-A42 WeakPolarHBondContact O-CB 3.02Å; E38-A42 PolarHBondContact O-N 2.98Å |
| 39 | E | 97.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 113.7 Ų | 113.7 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 177 | -73.2 | 172.9 | -176.7 | 0 | 0 | 111.6 | Q35 Q41 A42 E43 | Q35-E39 HydrophobicContact CG-CG 4.29Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.38Å; Q35-E39 PolarHBondContact NE2-OE1 3.37Å; Q35-E39 WeakPolarHBondContact O-CB 3.3Å; Q35-E39 WeakPolarHBondContact O-CG 3.44Å; Q35-E39 PolarHBondContact O-N 3.48Å; E39-Q41 VanDerWaalsContact C-N 3.28Å; E39-Q41 PolarHBondContact O-N 3Å; E39-A42 PolarHBondContact O-N 3.17Å; E39-E43 PolarHBondContact O-N 2.98Å |
| 40 | A | 97.8 | Very high | 97.8 | Very high | 44 Ų | 44 | 112.6 Ų | 112.6 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A36 E43 I44 | A36-A40 VanDerWaalsContact O-CB 3.3Å; A36-A40 WeakPolarHBondContact O-CB 3.44Å; A36-A40 PolarHBondContact O-N 3.26Å; A40-E43 PolarHBondContact O-N 2.99Å; A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.31Å; A40-I44 PolarHBondContact O-N 3.39Å |
| 41 | Q | 97.8 | Very high | 97.8 | Very high | 141 Ų | 141 | 113.3 Ų | 113.3 | 66% | 0.659 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.7 | -35.4 | 179.8 | -164.3 | 147.6 | 5.7 | 0 | 0 | 112.3 | K37 E38 E39 E45 | K37-Q41 VanDerWaalsContact O-CB 3.31Å; K37-Q41 WeakPolarHBondContact O-CB 3.44Å; K37-Q41 PolarHBondContact O-N 2.91Å; E38-Q41 PolarHBondContact O-N 3.36Å; E39-Q41 VanDerWaalsContact C-N 3.28Å; E39-Q41 PolarHBondContact O-N 3Å; Q41-E45 PolarHBondContact O-N 3.36Å |
| 42 | A | 98.1 | Very high | 97.7 | Very high | 51 Ų | 51 | 109.2 Ų | 109.2 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E38 E39 E45 Q46 | E38-A42 WeakPolarHBondContact O-CB 3.02Å; E38-A42 PolarHBondContact O-N 2.98Å; E39-A42 PolarHBondContact O-N 3.17Å; A42-E45 PolarHBondContact O-N 3.45Å; A42-Q46 WeakPolarHBondContact O-CG 3.25Å; A42-Q46 PolarHBondContact O-N 3.34Å |
| 43 | E | 97.8 | Very high | 97.7 | Very high | 140 Ų | 140 | 109.5 Ų | 109.5 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 177.3 | -170.7 | 175.5 | -179 | 0 | 0 | 112 | E39 A40 E45 Q46 Y47 | E39-E43 PolarHBondContact O-N 2.98Å; A40-E43 PolarHBondContact O-N 2.99Å; E43-E45 PolarHBondContact O-N 3.4Å; E43-Q46 PolarHBondContact O-N 3Å; E43-Y47 WeakPolarHBondContact O-CB 3.45Å; E43-Y47 PolarHBondContact O-N 2.97Å |
| 44 | I | 97.8 | Very high | 97.6 | Very high | 114 Ų | 114 | 108.2 Ų | 108.2 | 59% | 0.585 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.5 | -45.7 | 175 | -71.3 | 165.6 | 0 | 0 | 0 | 111 | A40 Y47 R48 | A40-I44 VanDerWaalsContact O-CG1 3.25Å; A40-I44 WeakPolarHBondContact O-CG1 3.31Å; A40-I44 PolarHBondContact O-N 3.39Å; I44-Y47 PolarHBondContact O-N 3.46Å; I44-R48 WeakPolarHBondContact O-CB 3.42Å; I44-R48 PolarHBondContact O-N 2.92Å |
| 45 | E | 97.9 | Very high | 97.5 | Very high | 81 Ų | 81 | 107.9 Ų | 107.9 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | -178.8 | -166.4 | 65 | -168.1 | 0 | 0 | 111.4 | Q41 A42 E43 R48 M49 | Q41-E45 PolarHBondContact O-N 3.36Å; A42-E45 PolarHBondContact O-N 3.45Å; E43-E45 PolarHBondContact O-N 3.4Å; E45-R48 PolarHBondContact O-N 3.28Å; E45-R48 IonicContact OE1-CZ 2.97Å; E45-R48 IonicContact OE1-NH1 2.72Å; E45-R48 PolarHBondContact OE1-NH1 2.92Å; E45-R48 IonicContact OE2-CZ 2.95Å; E45-R48 IonicContact OE2-NH1 3.69Å; E45-R48 PolarHBondContact OE2-NH1 3.07Å; E45-M49 HydrophobicContact CG-CE 4.43Å; E45-M49 WeakPolarHBondContact O-CG 3.29Å; E45-M49 PolarHBondContact O-N 2.92Å |
| 46 | Q | 98 | Very high | 97.4 | Very high | 129 Ų | 129 | 108.9 Ų | 108.9 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.8 | -47.1 | 172.5 | -76.4 | -176.4 | 0.9 | 0 | 0 | 112 | A42 E43 R48 M49 Q50 | A42-Q46 WeakPolarHBondContact O-CG 3.25Å; A42-Q46 PolarHBondContact O-N 3.34Å; E43-Q46 PolarHBondContact O-N 3Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 3.48Å; Q46-M49 HydrophobicContact CG-CE 4.23Å; Q46-M49 PolarHBondContact O-N 3.3Å; Q46-Q50 PolarHBondContact O-N 2.95Å |
| 47 | Y | 97.9 | Very high | 97.2 | Very high | 144 Ų | 144 | 110.5 Ų | 110.5 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -43.1 | 177.4 | -177.7 | -104.6 | 0 | 0 | 0 | 111.6 | E43 I44 Q50 R51 | E43-Y47 WeakPolarHBondContact O-CB 3.45Å; E43-Y47 PolarHBondContact O-N 2.97Å; I44-Y47 PolarHBondContact O-N 3.46Å; Y47-Q50 PolarHBondContact O-N 3.32Å; Y47-R51 HydrophobicContact CD1-CG 4.11Å; Y47-R51 HydrophobicContact CD2-CG 4.41Å; Y47-R51 HydrophobicContact CE1-CG 3.71Å; Y47-R51 HydrophobicContact CE2-CG 4.02Å; Y47-R51 HydrophobicContact CG-CG 4.45Å; Y47-R51 WeakPolarHBondContact O-CB 3.4Å; Y47-R51 VanDerWaalsContact O-CG 3.29Å; Y47-R51 WeakPolarHBondContact O-CG 3.36Å; Y47-R51 PolarHBondContact O-N 2.95Å |
| 48 | R | 97.9 | Very high | 96.9 | Very high | 137 Ų | 137 | 110 Ų | 110 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 176.2 | -177.7 | -176.8 | 143.1 | -148 | -5.4 | 111.7 | I44 E45 Q46 Q50 R51 E52 | I44-R48 WeakPolarHBondContact O-CB 3.42Å; I44-R48 PolarHBondContact O-N 2.92Å; E45-R48 PolarHBondContact O-N 3.28Å; E45-R48 IonicContact OE1-CZ 2.97Å; E45-R48 IonicContact OE1-NH1 2.72Å; E45-R48 PolarHBondContact OE1-NH1 2.92Å; E45-R48 IonicContact OE2-CZ 2.95Å; E45-R48 IonicContact OE2-NH1 3.69Å; E45-R48 PolarHBondContact OE2-NH1 3.07Å; Q46-R48 VanDerWaalsContact C-N 3.33Å; Q46-R48 PolarHBondContact O-N 3.48Å; R48-Q50 VanDerWaalsContact C-N 3.33Å; R48-Q50 PolarHBondContact O-N 2.92Å; R48-R51 PolarHBondContact O-N 2.8Å; R48-E52 WeakPolarHBondContact O-CB 3.48Å; R48-E52 PolarHBondContact O-N 2.74Å |
| 49 | M | 97.5 | Very high | 96.5 | Very high | 106 Ų | 106 | 109.2 Ų | 109.2 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.8 | -73.9 | -173.1 | -68.7 | 0 | 0 | 111.9 | E45 Q46 E52 K53 | E45-M49 HydrophobicContact CG-CE 4.43Å; E45-M49 WeakPolarHBondContact O-CG 3.29Å; E45-M49 PolarHBondContact O-N 2.92Å; Q46-M49 HydrophobicContact CG-CE 4.23Å; Q46-M49 PolarHBondContact O-N 3.3Å; M49-E52 PolarHBondContact O-N 3.29Å; M49-K53 WeakPolarHBondContact O-CB 3.38Å; M49-K53 PolarHBondContact O-N 3.43Å |
| 50 | Q | 97.5 | Very high | 96 | Very high | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 177.1 | -176.1 | 173.1 | 9.7 | 0 | 0 | 111.5 | Q46 Y47 R48 E52 K53 E54 | Q46-Q50 PolarHBondContact O-N 2.95Å; Y47-Q50 PolarHBondContact O-N 3.32Å; R48-Q50 VanDerWaalsContact C-N 3.33Å; R48-Q50 PolarHBondContact O-N 2.92Å; Q50-E52 PolarHBondContact O-N 3.45Å; Q50-K53 PolarHBondContact O-N 3.34Å; Q50-E54 WeakPolarHBondContact O-CG 3.37Å; Q50-E54 PolarHBondContact O-N 2.9Å |
| 51 | R | 97.7 | Very high | 95.5 | Very high | 121 Ų | 121 | 108 Ų | 108 | 46% | 0.457 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 178.5 | -69.6 | -60.9 | -62.4 | 179.9 | -14.8 | 112.7 | Y47 R48 E54 F55 | Y47-R51 HydrophobicContact CD1-CG 4.11Å; Y47-R51 HydrophobicContact CD2-CG 4.41Å; Y47-R51 HydrophobicContact CE1-CG 3.71Å; Y47-R51 HydrophobicContact CE2-CG 4.02Å; Y47-R51 HydrophobicContact CG-CG 4.45Å; Y47-R51 WeakPolarHBondContact O-CB 3.4Å; Y47-R51 VanDerWaalsContact O-CG 3.29Å; Y47-R51 WeakPolarHBondContact O-CG 3.36Å; Y47-R51 PolarHBondContact O-N 2.95Å; R48-R51 PolarHBondContact O-N 2.8Å; R51-E54 IonicContact CZ-OE2 2.8Å; R51-E54 IonicContact NE-OE2 3.55Å; R51-E54 IonicContact NH1-OE2 3.95Å; R51-E54 PolarHBondContact NH1-OE2 2.98Å; R51-E54 PolarHBondContact O-N 3.4Å; R51-F55 VanDerWaalsContact O-CB 3.3Å; R51-F55 WeakPolarHBondContact O-CB 3.43Å; R51-F55 PolarHBondContact O-N 3.48Å |
| 52 | E | 97.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 103.8 Ų | 103.8 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 176.1 | -167 | 176.6 | 156.9 | 0 | 0 | 111.5 | R48 M49 Q50 F55 K56 | R48-E52 WeakPolarHBondContact O-CB 3.48Å; R48-E52 PolarHBondContact O-N 2.74Å; M49-E52 PolarHBondContact O-N 3.29Å; Q50-E52 PolarHBondContact O-N 3.45Å; E52-F55 PolarHBondContact O-N 3.49Å; E52-K56 HydrophobicContact CG-CD 4.48Å; E52-K56 WeakPolarHBondContact O-CG 3.4Å; E52-K56 PolarHBondContact O-N 2.97Å; E52-K56 VanDerWaalsContact OE1-CE 3.28Å; E52-K56 WeakPolarHBondContact OE1-CE 3.3Å; E52-K56 IonicContact OE1-NZ 3.91Å; E52-K56 PolarHBondContact OE1-NZ 3.02Å |
| 53 | K | 97.3 | Very high | 93.8 | Very high | 153 Ų | 153 | 107 Ų | 107 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 173.5 | -175.3 | -178.7 | 178.8 | -177.9 | 0 | 111.9 | M49 Q50 F55 K56 T57 | M49-K53 WeakPolarHBondContact O-CB 3.38Å; M49-K53 PolarHBondContact O-N 3.43Å; Q50-K53 PolarHBondContact O-N 3.34Å; K53-F55 VanDerWaalsContact C-N 3.31Å; K53-F55 PolarHBondContact O-N 2.98Å; K53-K56 PolarHBondContact O-N 3.28Å; K53-T57 WeakPolarHBondContact O-CB 3.41Å; K53-T57 PolarHBondContact O-N 2.92Å; K53-T57 PolarHBondContact O-OG1 2.89Å |
| 54 | E | 96.3 | Very high | 92.6 | Very high | 68 Ų | 68 | 102.9 Ų | 102.9 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175 | -75.5 | 174.5 | -169.1 | 0 | 0 | 111.5 | Q50 R51 T57 K58 | Q50-E54 WeakPolarHBondContact O-CG 3.37Å; Q50-E54 PolarHBondContact O-N 2.9Å; R51-E54 IonicContact CZ-OE2 2.8Å; R51-E54 IonicContact NE-OE2 3.55Å; R51-E54 IonicContact NH1-OE2 3.95Å; R51-E54 PolarHBondContact NH1-OE2 2.98Å; R51-E54 PolarHBondContact O-N 3.4Å; E54-T57 PolarHBondContact O-N 3.36Å; E54-K58 WeakPolarHBondContact O-CG 3.41Å; E54-K58 PolarHBondContact O-N 3.43Å |
| 55 | F | 95.5 | Very high | 91 | Very high | 129 Ų | 129 | 100.8 Ų | 100.8 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.5 | -53.5 | 177.5 | 178.4 | -95 | 0 | 0 | 0 | 111.3 | R51 E52 K53 T57 K58 E59 | R51-F55 VanDerWaalsContact O-CB 3.3Å; R51-F55 WeakPolarHBondContact O-CB 3.43Å; R51-F55 PolarHBondContact O-N 3.48Å; E52-F55 PolarHBondContact O-N 3.49Å; K53-F55 VanDerWaalsContact C-N 3.31Å; K53-F55 PolarHBondContact O-N 2.98Å; F55-T57 VanDerWaalsContact C-N 3.26Å; F55-T57 PolarHBondContact O-N 2.87Å; F55-K58 PolarHBondContact O-N 3.36Å; F55-K58 VanDerWaalsContact O-N 3.09Å; F55-E59 WeakPolarHBondContact O-CB 3.28Å; F55-E59 PolarHBondContact O-N 2.91Å |
| 56 | K | 95.3 | Very high | 89.3 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.4 | -36.6 | 178.5 | -73.6 | 177.7 | -176.5 | 167.2 | 0 | 112.6 | E52 K53 E59 A60 | E52-K56 HydrophobicContact CG-CD 4.48Å; E52-K56 WeakPolarHBondContact O-CG 3.4Å; E52-K56 PolarHBondContact O-N 2.97Å; E52-K56 VanDerWaalsContact OE1-CE 3.28Å; E52-K56 WeakPolarHBondContact OE1-CE 3.3Å; E52-K56 IonicContact OE1-NZ 3.91Å; E52-K56 PolarHBondContact OE1-NZ 3.02Å; K53-K56 PolarHBondContact O-N 3.28Å; K56-E59 PolarHBondContact O-N 3.09Å; K56-A60 WeakPolarHBondContact O-CB 3.37Å; K56-A60 PolarHBondContact O-N 3.49Å |
| 57 | T | 93.3 | Very high | 87.8 | Confident | 88 Ų | 88 | 99.7 Ų | 99.7 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | K53 E54 F55 A61 | K53-T57 WeakPolarHBondContact O-CB 3.41Å; K53-T57 PolarHBondContact O-N 2.92Å; K53-T57 PolarHBondContact O-OG1 2.89Å; E54-T57 PolarHBondContact O-N 3.36Å; F55-T57 VanDerWaalsContact C-N 3.26Å; F55-T57 PolarHBondContact O-N 2.87Å; T57-A61 WeakPolarHBondContact O-CB 3.33Å; T57-A61 PolarHBondContact O-N 3.42Å |
| 58 | K | 91.1 | Very high | 86.7 | Confident | 141 Ų | 141 | 98 Ų | 98 | 61% | 0.613 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 176.9 | -73.3 | 178.1 | 179.6 | 179 | 0 | 112.2 | E54 F55 A61 A62 | E54-K58 WeakPolarHBondContact O-CG 3.41Å; E54-K58 PolarHBondContact O-N 3.43Å; F55-K58 PolarHBondContact O-N 3.36Å; F55-K58 VanDerWaalsContact O-N 3.09Å; K58-A61 PolarHBondContact O-N 3.26Å; K58-A62 WeakPolarHBondContact O-CB 3.41Å; K58-A62 PolarHBondContact O-N 2.95Å |
| 59 | E | 89.3 | Confident | 85.8 | Confident | 94 Ų | 94 | 94.2 Ų | 94.2 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 175.4 | -177.7 | -179.7 | -158.8 | 0 | 0 | 110.9 | F55 K56 A61 A62 L63 | F55-E59 WeakPolarHBondContact O-CB 3.28Å; F55-E59 PolarHBondContact O-N 2.91Å; K56-E59 PolarHBondContact O-N 3.09Å; E59-A61 VanDerWaalsContact C-N 3.35Å; E59-A61 PolarHBondContact O-N 2.87Å; E59-A62 PolarHBondContact O-N 2.83Å; E59-L63 HydrophobicContact CG-CD1 4.15Å; E59-L63 WeakPolarHBondContact O-CG 3.27Å; E59-L63 PolarHBondContact O-N 2.93Å |
| 60 | A | 87.6 | Confident | 85.1 | Confident | 63 Ų | 63 | 91.6 Ų | 91.6 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K56 G64 | K56-A60 WeakPolarHBondContact O-CB 3.37Å; K56-A60 PolarHBondContact O-N 3.49Å; A60-G64 PolarHBondContact O-N 2.72Å |
| 61 | A | 86.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 90.8 Ų | 90.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T57 K58 E59 G64 S65 | T57-A61 WeakPolarHBondContact O-CB 3.33Å; T57-A61 PolarHBondContact O-N 3.42Å; K58-A61 PolarHBondContact O-N 3.26Å; E59-A61 VanDerWaalsContact C-N 3.35Å; E59-A61 PolarHBondContact O-N 2.87Å; A61-G64 PolarHBondContact O-N 3.1Å; A61-S65 VanDerWaalsContact O-CB 3.27Å; A61-S65 WeakPolarHBondContact O-CB 3.41Å; A61-S65 PolarHBondContact O-N 2.92Å |
| 62 | A | 83 | Confident | 84.2 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K58 E59 S65 H66 | K58-A62 WeakPolarHBondContact O-CB 3.41Å; K58-A62 PolarHBondContact O-N 2.95Å; E59-A62 PolarHBondContact O-N 2.83Å; A62-S65 PolarHBondContact O-N 3.49Å; A62-H66 PolarHBondContact O-CD2 3.48Å; A62-H66 PolarHBondContact O-N 3.24Å |
| 63 | L | 77.4 | Confident | 84 | Confident | 120 Ų | 120 | 91 Ų | 91 | 63% | 0.628 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 176.1 | -71.6 | 170 | 0 | 0 | 0 | 112.1 | E59 | E59-L63 HydrophobicContact CG-CD1 4.15Å; E59-L63 WeakPolarHBondContact O-CG 3.27Å; E59-L63 PolarHBondContact O-N 2.93Å |
| 64 | G | 71.8 | Confident | 83.8 | Confident | 53 Ų | 53 | 88.7 Ų | 88.7 | 55% | 0.546 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.4 | -33.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A60 A61 G67 | A60-G64 PolarHBondContact O-N 2.72Å; A61-G64 PolarHBondContact O-N 3.1Å; G64-G67 PolarHBondContact O-N 3.42Å |
| 65 | S | 65.8 | Low | 83.8 | Confident | 69 Ų | 69 | 93.5 Ų | 93.5 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 179.6 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | A61 A62 G67 N68 S69 | A61-S65 VanDerWaalsContact O-CB 3.27Å; A61-S65 WeakPolarHBondContact O-CB 3.41Å; A61-S65 PolarHBondContact O-N 2.92Å; A62-S65 PolarHBondContact O-N 3.49Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 3.42Å; S65-N68 PolarHBondContact O-N 3.07Å; S65-N68 VanDerWaalsContact O-N 3.1Å; S65-S69 PolarHBondContact O-N 3.5Å |
| 66 | H | 61.7 | Low | 83.8 | Confident | 142 Ų | 142 | 92.4 Ų | 92.4 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.5 | -34.1 | 179.7 | -82.7 | -57.3 | 0 | 0 | 0 | 113.6 | A62 | A62-H66 PolarHBondContact O-CD2 3.48Å; A62-H66 PolarHBondContact O-N 3.24Å |
| 67 | G | 66.2 | Low | 83.9 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 46% | 0.464 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.6 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G64 S65 V71 | G64-G67 PolarHBondContact O-N 3.42Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 3.42Å; G67-V71 WeakPolarHBondContact O-CG2 3.38Å |
| 68 | N | 74.1 | Confident | 84 | Confident | 108 Ų | 108 | 91 Ų | 91 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.1 | -36.7 | -178 | -164.5 | 62.4 | 0 | 0 | 0 | 112.3 | S65 A70 V71 E72 | S65-N68 PolarHBondContact O-N 3.07Å; S65-N68 VanDerWaalsContact O-N 3.1Å; N68-A70 PolarHBondContact O-N 3.23Å; N68-V71 PolarHBondContact O-N 3.31Å; N68-E72 PolarHBondContact O-N 2.63Å |
| 69 | S | 79 | Confident | 84.3 | Confident | 58 Ų | 58 | 86.3 Ų | 86.3 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | S65 E72 V73 | S65-S69 PolarHBondContact O-N 3.5Å; S69-E72 PolarHBondContact O-N 2.97Å; S69-V73 VanDerWaalsContact O-CG2 3.32Å; S69-V73 WeakPolarHBondContact O-CG2 3.01Å; S69-V73 PolarHBondContact O-N 3.4Å |
| 70 | A | 83.6 | Confident | 84.7 | Confident | 52 Ų | 52 | 87.1 Ų | 87.1 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N68 E72 V73 D74 | N68-A70 PolarHBondContact O-N 3.23Å; A70-E72 VanDerWaalsContact C-N 3.33Å; A70-E72 PolarHBondContact O-N 3.48Å; A70-V73 PolarHBondContact O-N 2.97Å; A70-D74 WeakPolarHBondContact O-CB 3.45Å; A70-D74 PolarHBondContact O-N 2.86Å |
| 71 | V | 87.1 | Confident | 85.2 | Confident | 96 Ų | 96 | 90.1 Ų | 90.1 | 58% | 0.582 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -39.7 | 178.6 | 176 | 0 | 0 | 0 | 0 | 111.7 | G67 N68 D74 K75 | G67-V71 WeakPolarHBondContact O-CG2 3.38Å; N68-V71 PolarHBondContact O-N 3.31Å; V71-D74 PolarHBondContact O-N 3.3Å; V71-K75 WeakPolarHBondContact O-CB 3.48Å; V71-K75 PolarHBondContact O-N 3.33Å |
| 72 | E | 88.9 | Confident | 85.7 | Confident | 128 Ų | 128 | 88.8 Ų | 88.8 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -43.8 | 178.1 | -170.7 | 169.8 | -166.4 | 0 | 0 | 111.9 | N68 S69 A70 K75 E76 | N68-E72 PolarHBondContact O-N 2.63Å; S69-E72 PolarHBondContact O-N 2.97Å; A70-E72 VanDerWaalsContact C-N 3.33Å; A70-E72 PolarHBondContact O-N 3.48Å; E72-K75 PolarHBondContact O-N 3.05Å; E72-E76 PolarHBondContact O-N 3.05Å |
| 73 | V | 92.6 | Very high | 86.4 | Confident | 80 Ų | 80 | 90.1 Ų | 90.1 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | S69 A70 K75 E76 T77 | S69-V73 VanDerWaalsContact O-CG2 3.32Å; S69-V73 WeakPolarHBondContact O-CG2 3.01Å; S69-V73 PolarHBondContact O-N 3.4Å; A70-V73 PolarHBondContact O-N 2.97Å; V73-K75 PolarHBondContact O-N 3.24Å; V73-E76 PolarHBondContact O-N 3.41Å; V73-T77 VanDerWaalsContact O-CB 3.32Å; V73-T77 WeakPolarHBondContact O-CB 3.44Å; V73-T77 PolarHBondContact O-N 3.47Å; V73-T77 PolarHBondContact O-OG1 3.24Å |
| 74 | D | 93.8 | Very high | 87.4 | Confident | 104 Ų | 104 | 90 Ų | 90 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 177.2 | -76.9 | -18.2 | 0 | 0 | 0 | 111.1 | A70 V71 E76 T77 V78 | A70-D74 WeakPolarHBondContact O-CB 3.45Å; A70-D74 PolarHBondContact O-N 2.86Å; V71-D74 PolarHBondContact O-N 3.3Å; D74-E76 PolarHBondContact O-N 3.24Å; D74-T77 WeakPolarHBondContact O-CB 3.5Å; D74-T77 PolarHBondContact O-N 3.35Å; D74-V78 WeakPolarHBondContact O-CG2 3.45Å; D74-V78 PolarHBondContact O-N 3.38Å |
| 75 | K | 95.4 | Very high | 88.6 | Confident | 169 Ų | 169 | 92.8 Ų | 92.8 | 74% | 0.735 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 176.5 | -175.4 | -177.6 | 177.5 | -175.3 | 0 | 111.8 | V71 E72 V73 T77 G79 | V71-K75 WeakPolarHBondContact O-CB 3.48Å; V71-K75 PolarHBondContact O-N 3.33Å; E72-K75 PolarHBondContact O-N 3.05Å; V73-K75 PolarHBondContact O-N 3.24Å; K75-T77 VanDerWaalsContact C-N 3.33Å; K75-G79 PolarHBondContact O-N 2.94Å |
| 76 | E | 96.1 | Very high | 90.1 | Very high | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 176.7 | -166.8 | -171.7 | 170.1 | 0 | 0 | 111.3 | E72 V73 D74 G79 K80 | E72-E76 PolarHBondContact O-N 3.05Å; V73-E76 PolarHBondContact O-N 3.41Å; D74-E76 PolarHBondContact O-N 3.24Å; E76-G79 PolarHBondContact O-N 3.5Å; E76-K80 HydrophobicContact CG-CD 4.41Å; E76-K80 WeakPolarHBondContact O-CG 3.32Å; E76-K80 PolarHBondContact O-N 2.74Å; E76-K80 WeakPolarHBondContact OE1-CE 3.32Å; E76-K80 IonicContact OE1-NZ 2.63Å; E76-K80 PolarHBondContact OE1-NZ 2.85Å |
| 77 | T | 96.6 | Very high | 91.8 | Very high | 65 Ų | 65 | 89.1 Ų | 89.1 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | V73 D74 K75 G79 K80 M81 | V73-T77 VanDerWaalsContact O-CB 3.32Å; V73-T77 WeakPolarHBondContact O-CB 3.44Å; V73-T77 PolarHBondContact O-N 3.47Å; V73-T77 PolarHBondContact O-OG1 3.24Å; D74-T77 WeakPolarHBondContact O-CB 3.5Å; D74-T77 PolarHBondContact O-N 3.35Å; K75-T77 VanDerWaalsContact C-N 3.33Å; T77-G79 VanDerWaalsContact C-N 3.31Å; T77-G79 PolarHBondContact O-N 3.33Å; T77-K80 PolarHBondContact O-N 3.34Å; T77-M81 HydrophobicContact CG2-SD 4.47Å; T77-M81 WeakPolarHBondContact O-CG 3.41Å; T77-M81 PolarHBondContact O-N 3.03Å |
| 78 | V | 97 | Very high | 93.3 | Very high | 104 Ų | 104 | 93.4 Ų | 93.4 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | D74 M81 G82 | D74-V78 WeakPolarHBondContact O-CG2 3.45Å; D74-V78 PolarHBondContact O-N 3.38Å; V78-M81 PolarHBondContact O-N 3.04Å; V78-G82 PolarHBondContact O-N 2.81Å |
| 79 | G | 97.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K75 E76 T77 G82 S83 | K75-G79 PolarHBondContact O-N 2.94Å; E76-G79 PolarHBondContact O-N 3.5Å; T77-G79 VanDerWaalsContact C-N 3.31Å; T77-G79 PolarHBondContact O-N 3.33Å; G79-G82 PolarHBondContact O-N 2.91Å; G79-S83 PolarHBondContact O-N 2.9Å; G79-S83 PolarHBondContact O-OG 3.47Å |
| 80 | K | 97.4 | Very high | 95.3 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 176.2 | -76.7 | 177.2 | -178.1 | 165.1 | 0 | 111.6 | E76 T77 G82 S83 I84 | E76-K80 HydrophobicContact CG-CD 4.41Å; E76-K80 WeakPolarHBondContact O-CG 3.32Å; E76-K80 PolarHBondContact O-N 2.74Å; E76-K80 WeakPolarHBondContact OE1-CE 3.32Å; E76-K80 IonicContact OE1-NZ 2.63Å; E76-K80 PolarHBondContact OE1-NZ 2.85Å; T77-K80 PolarHBondContact O-N 3.34Å; K80-G82 VanDerWaalsContact C-N 3.33Å; K80-G82 PolarHBondContact O-N 2.99Å; K80-S83 WeakPolarHBondContact O-CB 3.45Å; K80-S83 PolarHBondContact O-N 3.39Å; K80-S83 VanDerWaalsContact O-N 3.16Å; K80-I84 WeakPolarHBondContact O-CG1 3.39Å; K80-I84 PolarHBondContact O-N 2.9Å |
| 81 | M | 97.4 | Very high | 95.9 | Very high | 125 Ų | 125 | 102 Ų | 102 | 62% | 0.616 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58 | -45.3 | 174.9 | -75.5 | -175.6 | 65.3 | 0 | 0 | 111.7 | T77 V78 S83 I84 Q85 | T77-M81 HydrophobicContact CG2-SD 4.47Å; T77-M81 WeakPolarHBondContact O-CG 3.41Å; T77-M81 PolarHBondContact O-N 3.03Å; V78-M81 PolarHBondContact O-N 3.04Å; M81-S83 VanDerWaalsContact C-N 3.31Å; M81-S83 PolarHBondContact O-N 3.4Å; M81-I84 PolarHBondContact O-N 3.46Å; M81-Q85 WeakPolarHBondContact O-CB 3.35Å; M81-Q85 PolarHBondContact O-N 3.16Å |
| 82 | G | 97.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 102.8 Ų | 102.8 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | V78 G79 K80 Q85 T86 | V78-G82 PolarHBondContact O-N 2.81Å; G79-G82 PolarHBondContact O-N 2.91Å; K80-G82 VanDerWaalsContact C-N 3.33Å; K80-G82 PolarHBondContact O-N 2.99Å; G82-Q85 PolarHBondContact O-N 3.4Å; G82-T86 WeakPolarHBondContact O-CB 3.38Å; G82-T86 PolarHBondContact O-N 3.29Å; G82-T86 PolarHBondContact O-OG1 2.9Å |
| 83 | S | 97.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 102 Ų | 102 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -43.6 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | G79 K80 M81 T86 S87 | G79-S83 PolarHBondContact O-N 2.9Å; G79-S83 PolarHBondContact O-OG 3.47Å; K80-S83 WeakPolarHBondContact O-CB 3.45Å; K80-S83 PolarHBondContact O-N 3.39Å; K80-S83 VanDerWaalsContact O-N 3.16Å; M81-S83 VanDerWaalsContact C-N 3.31Å; M81-S83 PolarHBondContact O-N 3.4Å; S83-T86 PolarHBondContact O-N 3.39Å; S83-S87 WeakPolarHBondContact O-CB 3.35Å; S83-S87 PolarHBondContact O-N 3.49Å |
| 84 | I | 97.7 | Very high | 96.9 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 61% | 0.61 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 175.6 | -68.9 | 167.2 | 0 | 0 | 0 | 110.4 | K80 M81 T86 S87 Y88 | K80-I84 WeakPolarHBondContact O-CG1 3.39Å; K80-I84 PolarHBondContact O-N 2.9Å; M81-I84 PolarHBondContact O-N 3.46Å; I84-T86 VanDerWaalsContact C-N 3.32Å; I84-T86 PolarHBondContact O-N 2.87Å; I84-S87 PolarHBondContact O-N 2.93Å; I84-Y88 WeakPolarHBondContact O-CB 3.32Å; I84-Y88 PolarHBondContact O-N 2.84Å |
| 85 | Q | 97.6 | Very high | 97.1 | Very high | 111 Ų | 111 | 99.9 Ų | 99.9 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 178.5 | -171.8 | 81.7 | -5.4 | 0 | 0 | 111.2 | M81 G82 Y88 Q89 | M81-Q85 WeakPolarHBondContact O-CB 3.35Å; M81-Q85 PolarHBondContact O-N 3.16Å; G82-Q85 PolarHBondContact O-N 3.4Å; Q85-Y88 PolarHBondContact O-N 3Å; Q85-Q89 VanDerWaalsContact O-CG 3.32Å; Q85-Q89 WeakPolarHBondContact O-CG 3.41Å; Q85-Q89 PolarHBondContact O-N 3.43Å |
| 86 | T | 97.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 95.4 Ų | 95.4 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | G82 S83 I84 Q89 R90 | G82-T86 WeakPolarHBondContact O-CB 3.38Å; G82-T86 PolarHBondContact O-N 3.29Å; G82-T86 PolarHBondContact O-OG1 2.9Å; S83-T86 PolarHBondContact O-N 3.39Å; I84-T86 VanDerWaalsContact C-N 3.32Å; I84-T86 PolarHBondContact O-N 2.87Å; T86-Q89 PolarHBondContact O-N 3.24Å; T86-R90 WeakPolarHBondContact O-CB 3.44Å; T86-R90 PolarHBondContact O-N 2.96Å |
| 87 | S | 97.5 | Very high | 97.2 | Very high | 61 Ų | 61 | 92.3 Ų | 92.3 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.4 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | S83 I84 R90 N91 | S83-S87 WeakPolarHBondContact O-CB 3.35Å; S83-S87 PolarHBondContact O-N 3.49Å; I84-S87 PolarHBondContact O-N 2.93Å; S87-R90 PolarHBondContact O-N 3.17Å; S87-N91 PolarHBondContact O-N 3.46Å; S87-N91 PolarHBondContact O-ND2 3.37Å |
| 88 | Y | 97.2 | Very high | 97.2 | Very high | 135 Ų | 135 | 94 Ų | 94 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -53.4 | 175.4 | 170.8 | -99.5 | 0 | 0 | 0 | 111.2 | I84 Q85 R90 N91 R92 | I84-Y88 WeakPolarHBondContact O-CB 3.32Å; I84-Y88 PolarHBondContact O-N 2.84Å; Q85-Y88 PolarHBondContact O-N 3Å; Y88-R90 VanDerWaalsContact C-N 3.28Å; Y88-R90 PolarHBondContact O-N 3.28Å; Y88-N91 PolarHBondContact O-N 2.84Å; Y88-N91 VanDerWaalsContact O-N 3.14Å; Y88-R92 HydrophobicContact CE1-CG 4.32Å; Y88-R92 HydrophobicContact CE2-CG 4.36Å; Y88-R92 WeakPolarHBondContact O-CB 3.34Å; Y88-R92 PolarHBondContact O-N 3.05Å; Y88-R92 WeakPolarHBondContact OH-CD 3.49Å |
| 89 | Q | 96.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 94 Ų | 94 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58 | -40.5 | -178.8 | -73.7 | 176.3 | -0.6 | 0 | 0 | 112.3 | Q85 T86 N91 | Q85-Q89 VanDerWaalsContact O-CG 3.32Å; Q85-Q89 WeakPolarHBondContact O-CG 3.41Å; Q85-Q89 PolarHBondContact O-N 3.43Å; T86-Q89 PolarHBondContact O-N 3.24Å; Q89-N91 PolarHBondContact O-N 3.14Å |
| 90 | R | 97.5 | Very high | 97.2 | Very high | 194 Ų | 194 | 97.2 Ų | 97.2 | 73% | 0.732 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 177.9 | -175 | -177 | -60.5 | 171.2 | 1.9 | 112.7 | T86 S87 Y88 | T86-R90 WeakPolarHBondContact O-CB 3.44Å; T86-R90 PolarHBondContact O-N 2.96Å; S87-R90 PolarHBondContact O-N 3.17Å; Y88-R90 VanDerWaalsContact C-N 3.28Å; Y88-R90 PolarHBondContact O-N 3.28Å |
| 91 | N | 96.9 | Very high | 97.1 | Very high | 84 Ų | 84 | 99.3 Ų | 99.3 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -95.9 | -14.9 | -171.6 | -64.9 | -57.3 | 0 | 0 | 0 | 113.5 | S87 Y88 Q89 E93 G94 V95 | S87-N91 PolarHBondContact O-N 3.46Å; S87-N91 PolarHBondContact O-ND2 3.37Å; Y88-N91 PolarHBondContact O-N 2.84Å; Y88-N91 VanDerWaalsContact O-N 3.14Å; Q89-N91 PolarHBondContact O-N 3.14Å; N91-E93 PolarHBondContact O-N 3.44Å; N91-G94 PolarHBondContact O-N 2.95Å; N91-V95 WeakPolarHBondContact O-CG2 3.41Å; N91-V95 PolarHBondContact O-N 2.82Å |
| 92 | R | 96.6 | Very high | 97 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -51 | -54.9 | -172.4 | -172.2 | -176.8 | 85.8 | 171.6 | 6.2 | 112.8 | Y88 G94 V95 L96 | Y88-R92 HydrophobicContact CE1-CG 4.32Å; Y88-R92 HydrophobicContact CE2-CG 4.36Å; Y88-R92 WeakPolarHBondContact O-CB 3.34Å; Y88-R92 PolarHBondContact O-N 3.05Å; Y88-R92 WeakPolarHBondContact OH-CD 3.49Å; R92-G94 VanDerWaalsContact C-N 3.35Å; R92-G94 PolarHBondContact O-N 3.33Å; R92-V95 PolarHBondContact O-N 2.91Å; R92-L96 HydrophobicContact CG-CD1 3.91Å; R92-L96 HydrophobicContact CG-CG 4.47Å; R92-L96 WeakPolarHBondContact O-CB 3.43Å; R92-L96 WeakPolarHBondContact O-CG 3.36Å; R92-L96 PolarHBondContact O-N 3.47Å |
| 93 | E | 96.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -37.9 | -174.7 | -61.8 | -53.9 | 137.4 | 0 | 0 | 112.2 | N91 L96 G97 | N91-E93 PolarHBondContact O-N 3.44Å; E93-L96 PolarHBondContact O-N 3.24Å; E93-G97 PolarHBondContact O-N 3.34Å |
| 94 | G | 96.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 104.3 Ų | 104.3 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N91 R92 N98 | N91-G94 PolarHBondContact O-N 2.95Å; R92-G94 VanDerWaalsContact C-N 3.35Å; R92-G94 PolarHBondContact O-N 3.33Å; G94-N98 PolarHBondContact O-N 2.95Å; G94-N98 VanDerWaalsContact O-N 3.12Å; G94-N98 PolarHBondContact O-ND2 3.12Å |
| 95 | V | 97.5 | Very high | 96.6 | Very high | 94 Ų | 94 | 102.4 Ų | 102.4 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -45.5 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 111 | N91 R92 G97 N98 L99 | N91-V95 WeakPolarHBondContact O-CG2 3.41Å; N91-V95 PolarHBondContact O-N 2.82Å; R92-V95 PolarHBondContact O-N 2.91Å; V95-G97 PolarHBondContact O-N 3.49Å; V95-N98 PolarHBondContact O-N 2.9Å; V95-L99 WeakPolarHBondContact O-CB 3.36Å; V95-L99 PolarHBondContact O-N 3.46Å |
| 96 | L | 96.8 | Very high | 96.3 | Very high | 76 Ų | 76 | 104 Ų | 104 | 40% | 0.398 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 177.3 | -74.3 | 174.3 | 0 | 0 | 0 | 111.7 | R92 E93 N98 L99 L100 | R92-L96 HydrophobicContact CG-CD1 3.91Å; R92-L96 HydrophobicContact CG-CG 4.47Å; R92-L96 WeakPolarHBondContact O-CB 3.43Å; R92-L96 WeakPolarHBondContact O-CG 3.36Å; R92-L96 PolarHBondContact O-N 3.47Å; E93-L96 PolarHBondContact O-N 3.24Å; L96-N98 PolarHBondContact O-N 2.94Å; L96-L99 PolarHBondContact O-N 3.37Å; L96-L100 WeakPolarHBondContact O-CB 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.04Å |
| 97 | G | 96.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 107.2 Ų | 107.2 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E93 V95 K101 | E93-G97 PolarHBondContact O-N 3.34Å; V95-G97 PolarHBondContact O-N 3.49Å; G97-K101 VanDerWaalsContact O-CB 3.28Å; G97-K101 WeakPolarHBondContact O-CB 3.33Å; G97-K101 PolarHBondContact O-N 3.42Å |
| 98 | N | 96.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 110 Ų | 110 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -43.9 | 176.9 | -74.5 | -19.9 | 0 | 0 | 0 | 112.1 | G94 V95 L96 K101 M102 | G94-N98 PolarHBondContact O-N 2.95Å; G94-N98 VanDerWaalsContact O-N 3.12Å; G94-N98 PolarHBondContact O-ND2 3.12Å; V95-N98 PolarHBondContact O-N 2.9Å; L96-N98 PolarHBondContact O-N 2.94Å; N98-K101 PolarHBondContact O-N 3.42Å; N98-M102 WeakPolarHBondContact O-CG 3.42Å; N98-M102 PolarHBondContact O-N 3.41Å |
| 99 | L | 96.9 | Very high | 95.5 | Very high | 102 Ų | 102 | 111.7 Ų | 111.7 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.2 | -48.9 | 178.5 | -178.7 | 62.8 | 0 | 0 | 0 | 111.3 | V95 L96 K101 M102 V103 | V95-L99 WeakPolarHBondContact O-CB 3.36Å; V95-L99 PolarHBondContact O-N 3.46Å; L96-L99 PolarHBondContact O-N 3.37Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.25Å; L99-M102 PolarHBondContact O-N 3.45Å; L99-V103 HydrophobicContact CD1-CG2 4.33Å; L99-V103 VanDerWaalsContact O-CG2 3.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.28Å; L99-V103 PolarHBondContact O-N 3.31Å |
| 100 | L | 96.5 | Very high | 95.2 | Very high | 109 Ų | 109 | 112 Ų | 112 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.8 | -42 | 178.1 | -71.5 | 172.9 | 0 | 0 | 0 | 111.7 | L96 M102 V103 C104 | L96-L100 WeakPolarHBondContact O-CB 3.26Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 3.04Å; L100-M102 VanDerWaalsContact C-N 3.33Å; L100-M102 PolarHBondContact O-N 2.97Å; L100-V103 PolarHBondContact O-N 2.69Å; L100-C104 WeakPolarHBondContact O-CB 3.13Å; L100-C104 PolarHBondContact O-N 3.38Å; L100-C104 PolarHBondContact O-SG 3.46Å; L100-C104 VanDerWaalsContact O-SG 3.38Å |
| 101 | K | 96.5 | Very high | 94.9 | Very high | 156 Ų | 156 | 109.3 Ų | 109.3 | 68% | 0.678 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.9 | -45.8 | 175.7 | -177.8 | -179.9 | 178.1 | -178.9 | 0 | 111.7 | G97 N98 L99 D105 | G97-K101 VanDerWaalsContact O-CB 3.28Å; G97-K101 WeakPolarHBondContact O-CB 3.33Å; G97-K101 PolarHBondContact O-N 3.42Å; N98-K101 PolarHBondContact O-N 3.42Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.25Å; K101-D105 VanDerWaalsContact O-CB 3.26Å; K101-D105 WeakPolarHBondContact O-CB 3.28Å; K101-D105 PolarHBondContact O-N 3.09Å; K101-D105 VanDerWaalsContact O-N 3.09Å |
| 102 | M | 94.9 | Very high | 94.8 | Very high | 145 Ų | 145 | 110 Ų | 110 | 71% | 0.714 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.5 | -40.4 | 178.8 | -70.2 | 179.6 | -174.2 | 0 | 0 | 112.3 | N98 L99 L100 D105 | N98-M102 WeakPolarHBondContact O-CG 3.42Å; N98-M102 PolarHBondContact O-N 3.41Å; L99-M102 PolarHBondContact O-N 3.45Å; L100-M102 VanDerWaalsContact C-N 3.33Å; L100-M102 PolarHBondContact O-N 2.97Å; M102-D105 PolarHBondContact O-N 2.94Å |
| 103 | V | 95.3 | Very high | 94.7 | Very high | 103 Ų | 103 | 110.6 Ų | 110.6 | 62% | 0.624 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.1 | -36 | -179.8 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | L99 L100 | L99-V103 HydrophobicContact CD1-CG2 4.33Å; L99-V103 VanDerWaalsContact O-CG2 3.28Å; L99-V103 WeakPolarHBondContact O-CG2 3.28Å; L99-V103 PolarHBondContact O-N 3.31Å; L100-V103 PolarHBondContact O-N 2.69Å |
| 104 | C | 94.3 | Very high | 94.5 | Very high | 98 Ų | 98 | 112.2 Ų | 112.2 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.1 | -12.6 | 179.5 | -64.7 | 0 | 0 | 0 | 0 | 114.1 | L100 I106 | L100-C104 WeakPolarHBondContact O-CB 3.13Å; L100-C104 PolarHBondContact O-N 3.38Å; L100-C104 PolarHBondContact O-SG 3.46Å; L100-C104 VanDerWaalsContact O-SG 3.38Å; C104-I106 PolarHBondContact O-N 3.1Å; C104-I106 VanDerWaalsContact O-N 3.1Å |
| 105 | D | 94.6 | Very high | 94 | Very high | 80 Ų | 80 | 120.8 Ų | 120.8 | 43% | 0.428 | 63% | 0.63 | S | S | . | * | trans | -83.8 | 75.7 | 177.8 | -175 | 22.2 | 0 | 0 | 0 | 110.8 | K101 M102 K107 | K101-D105 VanDerWaalsContact O-CB 3.26Å; K101-D105 WeakPolarHBondContact O-CB 3.28Å; K101-D105 PolarHBondContact O-N 3.09Å; K101-D105 VanDerWaalsContact O-N 3.09Å; M102-D105 PolarHBondContact O-N 2.94Å; D105-K107 PolarHBondContact O-N 3.29Å; D105-K107 WeakPolarHBondContact OD2-CE 3.4Å; D105-K107 IonicContact OD2-NZ 2.69Å; D105-K107 PolarHBondContact OD2-NZ 3.23Å | ||
| 106 | I | 92.3 | Very high | 93.3 | Very high | 144 Ų | 144 | 124.3 Ų | 124.3 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | trans | -72.3 | 113.5 | 178.6 | -56 | 176 | 0 | 0 | 0 | 109 | C104 P108 | C104-I106 PolarHBondContact O-N 3.1Å; C104-I106 VanDerWaalsContact O-N 3.1Å; I106-P108 WeakPolarHBondContact O-CD 3.19Å | ||
| 107 | K | 91.9 | Very high | 92.2 | Very high | 141 Ų | 141 | 125.8 Ų | 125.8 | 61% | 0.613 | 66% | 0.661 | S | S | * | * | trans | -106.9 | 89.3 | 172.6 | -70.8 | 178.5 | -178.3 | 139.2 | 0 | 109.7 | D105 E109 | D105-K107 PolarHBondContact O-N 3.29Å; D105-K107 WeakPolarHBondContact OD2-CE 3.4Å; D105-K107 IonicContact OD2-NZ 2.69Å; D105-K107 PolarHBondContact OD2-NZ 3.23Å; K107-E109 PolarHBondContact O-N 3.15Å; K107-E109 VanDerWaalsContact O-N 3.15Å | ||
| 108 | P | 90.6 | Very high | 90.1 | Very high | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | trans | -69.1 | 114 | 176.5 | 28.2 | -31.1 | 0 | 0 | 0 | 108.6 | I106 | I106-P108 WeakPolarHBondContact O-CD 3.19Š| ||
| 109 | E | 92.9 | Very high | 89.8 | Confident | 171 Ų | 171 | 131.3 Ų | 131.3 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | trans | -111.3 | 134.4 | 174.2 | -69.1 | -175.6 | -179.7 | 0 | 0 | 109.2 | K107 H111 | K107-E109 PolarHBondContact O-N 3.15Å; K107-E109 VanDerWaalsContact O-N 3.15Å; E109-H111 PolarHBondContact O-N 3.5Å | ||
| 110 | I | 90.1 | Very high | 89.4 | Confident | 126 Ų | 126 | 132.8 Ų | 132.8 | 65% | 0.646 | 72% | 0.721 | S | S | * | * | trans | -71.8 | 130.9 | 168.2 | -63.2 | 179.2 | 0 | 0 | 0 | 106.7 | A112 Y114 | I110-A112 PolarHBondContact O-N 3.36Å; I110-Y114 HydrophobicContact CG2-CD1 3.77Å; I110-Y114 HydrophobicContact CG2-CD2 4.14Å; I110-Y114 HydrophobicContact CG2-CG 3.43Å; I110-Y114 VanDerWaalsContact CG2-CG 3.43Å | ||
| 111 | H | 92.1 | Very high | 89 | Confident | 138 Ų | 138 | 134.2 Ų | 134.2 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | trans | -51.9 | 135.9 | 178.2 | -172.2 | -85.6 | 0 | 0 | 0 | 110.4 | E109 N113 Y114 | E109-H111 PolarHBondContact O-N 3.5Å; H111-N113 PolarHBondContact ND1-N 2.84Å; H111-N113 PolarHBondContact O-N 3.36Å; H111-Y114 WeakPolarHBondContact O-CB 3.4Å; H111-Y114 PolarHBondContact O-N 2.86Å | ||
| 112 | A | 93.6 | Very high | 88.6 | Confident | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -21.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I110 | I110-A112 PolarHBondContact O-N 3.36Š|
| 113 | N | 94.1 | Very high | 88.2 | Confident | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 5.4 | 179.9 | -62.3 | -22.4 | 0 | 0 | 0 | 114.5 | H111 R115 | H111-N113 PolarHBondContact ND1-N 2.84Å; H111-N113 PolarHBondContact O-N 3.36Å; N113-R115 PolarHBondContact O-N 3.31Å |
| 114 | Y | 92.6 | Very high | 87.7 | Confident | 146 Ų | 146 | 134.1 Ų | 134.1 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | trans | -62.8 | 125.8 | 176.9 | 179.5 | -99.2 | 0 | 0 | 0 | 110.3 | I110 H111 | I110-Y114 HydrophobicContact CG2-CD1 3.77Å; I110-Y114 HydrophobicContact CG2-CD2 4.14Å; I110-Y114 HydrophobicContact CG2-CG 3.43Å; I110-Y114 VanDerWaalsContact CG2-CG 3.43Å; H111-Y114 WeakPolarHBondContact O-CB 3.4Å; H111-Y114 PolarHBondContact O-N 2.86Å | ||
| 115 | R | 87.5 | Confident | 87.2 | Confident | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -117.4 | 125.4 | 174.9 | -66.2 | -174.2 | 176.6 | -173.9 | -1.2 | 108.2 | N113 A117 | N113-R115 PolarHBondContact O-N 3.31Å; R115-A117 PolarHBondContact O-N 3.28Å | ||
| 116 | F | 83 | Confident | 86.7 | Confident | 168 Ų | 168 | 141 Ų | 141 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | trans | -70.4 | 116.6 | 172.3 | -171.7 | -100 | 0 | 0 | 0 | 108.2 | G118 | F116-G118 PolarHBondContact O-N 3.39Š| ||
| 117 | A | 72.8 | Confident | 86.2 | Confident | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | trans | -91 | 89.1 | 173 | 0 | 0 | 0 | 0 | 0 | 108 | R115 | R115-A117 PolarHBondContact O-N 3.28Š| ||
| 118 | G | 53.1 | Low | 85.7 | Confident | 126 Ų | 126 | 140.7 Ų | 140.7 | 100% | 1.299 | 79% | 0.788 | S | S | * | * | trans | -142.2 | 0 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | F116 | F116-G118 PolarHBondContact O-N 3.39Š|
Retrieved 118 of 118 residues in 278.6 ms
(Link to these results)