| 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 | 49.8 | Very low | 60.2 | Low | 242 Ų | 242 | 149.4 Ų | 149.4 | 100% | 1.192 | 72% | 0.721 | S | S | * | * | 0 | 96.7 | 0 | -78.7 | -179.4 | 151.6 | 0 | 0 | 108.8 | R3 | M1-R3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 53.5 | Low | 62.2 | Low | 125 Ų | 125 | 146.8 Ų | 146.8 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -76.4 | 113.3 | 174 | -169.8 | 0 | 0 | 0 | 0 | 108 | Y4 | S2-Y4 PolarHBondContact O-N 3.22Š| ||
| 3 | R | 59.5 | Low | 63.8 | Low | 226 Ų | 226 | 142.8 Ų | 142.8 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | trans | -71.3 | 110.3 | 172.4 | -83.6 | -175.8 | -98.8 | -176.5 | -6 | 106.9 | M1 I5 | M1-R3 PolarHBondContact O-N 3.36Å; R3-I5 PolarHBondContact O-N 2.96Å | ||
| 4 | Y | 55.5 | Low | 65.6 | Low | 201 Ų | 201 | 139.6 Ų | 139.6 | 79% | 0.788 | 67% | 0.673 | S | S | * | * | trans | -59.4 | 103.5 | 165.8 | -171.5 | -97.8 | 0 | 0 | 0 | 107.1 | S2 P6 | S2-Y4 PolarHBondContact O-N 3.22Å; Y4-P6 HydrophobicContact CD1-CB 4.34Å; Y4-P6 HydrophobicContact CD1-CG 4.07Å; Y4-P6 HydrophobicContact CE1-CB 4.09Å; Y4-P6 HydrophobicContact CE1-CG 4.29Å; Y4-P6 VanDerWaalsContact O-CD 3.25Å; Y4-P6 WeakPolarHBondContact O-CD 3.25Å | ||
| 5 | I | 59.5 | Low | 67.4 | Low | 141 Ų | 141 | 136.9 Ų | 136.9 | 72% | 0.723 | 66% | 0.662 | S | S | * | * | trans | -84 | 105.3 | 169 | -59.3 | 175.2 | 0 | 0 | 0 | 104.1 | R3 T7 | R3-I5 PolarHBondContact O-N 2.96Å; I5-T7 PolarHBondContact O-N 3.04Å | ||
| 6 | P | 55.9 | Low | 69 | Low | 81 Ų | 81 | 132.5 Ų | 132.5 | 53% | 0.526 | 65% | 0.65 | S | S | . | * | trans | -62.8 | 119.1 | 178.3 | -11.1 | 26.8 | 0 | 0 | 0 | 106.5 | Y4 R8 | Y4-P6 HydrophobicContact CD1-CB 4.34Å; Y4-P6 HydrophobicContact CD1-CG 4.07Å; Y4-P6 HydrophobicContact CE1-CB 4.09Å; Y4-P6 HydrophobicContact CE1-CG 4.29Å; Y4-P6 VanDerWaalsContact O-CD 3.25Å; Y4-P6 WeakPolarHBondContact O-CD 3.25Å; P6-R8 PolarHBondContact O-N 2.74Å | ||
| 7 | T | 59.5 | Low | 70.5 | Confident | 112 Ų | 112 | 131.4 Ų | 131.4 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | trans | -64.8 | 80.7 | 168.2 | 50.2 | 0 | 0 | 0 | 0 | 107 | I5 F9 P10 | I5-T7 PolarHBondContact O-N 3.04Å; T7-F9 PolarHBondContact O-N 3.45Å; T7-P10 WeakPolarHBondContact O-CD 2.94Å | ||
| 8 | R | 57.7 | Low | 71.9 | Confident | 203 Ų | 203 | 128.7 Ų | 128.7 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | trans | -73.6 | -3.7 | -177.8 | -157.5 | 177.5 | -165.2 | -172.7 | 3.8 | 112.5 | P6 P10 | P6-R8 PolarHBondContact O-N 2.74Å; R8-P10 VanDerWaalsContact C-CD 3.42Å | ||
| 9 | F | 60.9 | Low | 73.2 | Confident | 124 Ų | 124 | 125.7 Ų | 125.7 | 54% | 0.544 | 62% | 0.617 | S | S | . | * | trans | -100.8 | -1 | -169.2 | -57.1 | -71.1 | 0 | 0 | 0 | 118.6 | T7 H11 E12 I13 | T7-F9 PolarHBondContact O-N 3.45Å; F9-H11 VanDerWaalsContact C-N 3.32Å; F9-H11 PolarHBondContact O-N 3.19Å; F9-E12 WeakPolarHBondContact CD1-OE2 3.43Å; F9-E12 PolarHBondContact O-N 3.47Å; F9-I13 HydrophobicContact CB-CD1 4.37Å; F9-I13 WeakPolarHBondContact O-CD1 3.23Å; F9-I13 VanDerWaalsContact O-CG1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.06Å | ||
| 10 | P | 71.2 | Confident | 74.4 | Confident | 57 Ų | 57 | 123.5 Ų | 123.5 | 37% | 0.37 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.9 | -33.1 | -176.6 | 26.4 | -32.4 | 0 | 0 | 0 | 112.3 | T7 R8 Q14 | T7-P10 WeakPolarHBondContact O-CD 2.94Å; R8-P10 VanDerWaalsContact C-CD 3.42Å; P10-Q14 WeakPolarHBondContact O-CB 3.47Å; P10-Q14 VanDerWaalsContact O-CG 3.23Å; P10-Q14 WeakPolarHBondContact O-CG 3.28Å; P10-Q14 PolarHBondContact O-N 3.37Å; P10-Q14 VanDerWaalsContact O-N 3.09Å; P10-Q14 PolarHBondContact O-NE2 3.25Å; P10-Q14 VanDerWaalsContact O-NE2 3.11Å |
| 11 | H | 79.8 | Confident | 75.5 | Confident | 131 Ų | 131 | 123.9 Ų | 123.9 | 61% | 0.606 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.8 | -42.1 | 178.3 | -71.6 | -53.1 | 0 | 0 | 0 | 112.6 | F9 I13 Q14 I15 | F9-H11 VanDerWaalsContact C-N 3.32Å; F9-H11 PolarHBondContact O-N 3.19Å; H11-I13 VanDerWaalsContact C-N 3.32Å; H11-I13 PolarHBondContact O-N 3.37Å; H11-Q14 PolarHBondContact O-N 2.96Å; H11-I15 WeakPolarHBondContact O-CB 3.37Å; H11-I15 VanDerWaalsContact O-CG1 3.24Å; H11-I15 WeakPolarHBondContact O-CG1 3.47Å; H11-I15 PolarHBondContact O-N 3.43Å |
| 12 | E | 83.3 | Confident | 77.8 | Confident | 119 Ų | 119 | 117.6 Ų | 117.6 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.3 | -41.9 | 177.5 | -69.2 | 178.7 | -170.7 | 0 | 0 | 111.4 | F9 I15 S16 | F9-E12 WeakPolarHBondContact CD1-OE2 3.43Å; F9-E12 PolarHBondContact O-N 3.47Å; E12-I15 PolarHBondContact O-N 3.11Å; E12-S16 WeakPolarHBondContact O-CB 3.31Å; E12-S16 PolarHBondContact O-N 3.09Å |
| 13 | I | 84 | Confident | 80 | Confident | 95 Ų | 95 | 116.7 Ų | 116.7 | 49% | 0.487 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -46.1 | 175.7 | -65.6 | 167.4 | 0 | 0 | 0 | 110.8 | F9 H11 S16 Q17 | F9-I13 HydrophobicContact CB-CD1 4.37Å; F9-I13 WeakPolarHBondContact O-CD1 3.23Å; F9-I13 VanDerWaalsContact O-CG1 3.28Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.06Å; H11-I13 VanDerWaalsContact C-N 3.32Å; H11-I13 PolarHBondContact O-N 3.37Å; I13-S16 PolarHBondContact O-N 3.28Å; I13-Q17 WeakPolarHBondContact O-CG 3.29Å; I13-Q17 PolarHBondContact O-N 3.02Å |
| 14 | Q | 88.8 | Confident | 81.8 | Confident | 97 Ų | 97 | 113.9 Ų | 113.9 | 45% | 0.453 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 177.7 | -76.7 | 171.5 | 61.7 | 0 | 0 | 112.2 | P10 H11 S16 Q17 I18 | P10-Q14 WeakPolarHBondContact O-CB 3.47Å; P10-Q14 VanDerWaalsContact O-CG 3.23Å; P10-Q14 WeakPolarHBondContact O-CG 3.28Å; P10-Q14 PolarHBondContact O-N 3.37Å; P10-Q14 VanDerWaalsContact O-N 3.09Å; P10-Q14 PolarHBondContact O-NE2 3.25Å; P10-Q14 VanDerWaalsContact O-NE2 3.11Å; H11-Q14 PolarHBondContact O-N 2.96Å; Q14-S16 VanDerWaalsContact C-N 3.33Å; Q14-S16 PolarHBondContact O-N 2.98Å; Q14-Q17 PolarHBondContact O-N 3.46Å; Q14-I18 VanDerWaalsContact O-CG1 3.31Å; Q14-I18 WeakPolarHBondContact O-CG1 3.42Å; Q14-I18 PolarHBondContact O-N 2.89Å |
| 15 | I | 92.5 | Very high | 83.9 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.6 | -70.1 | 165.9 | 0 | 0 | 0 | 110.2 | H11 E12 Q17 I18 I19 | H11-I15 WeakPolarHBondContact O-CB 3.37Å; H11-I15 VanDerWaalsContact O-CG1 3.24Å; H11-I15 WeakPolarHBondContact O-CG1 3.47Å; H11-I15 PolarHBondContact O-N 3.43Å; E12-I15 PolarHBondContact O-N 3.11Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 3.33Å; I15-I18 PolarHBondContact O-N 3.29Å; I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.34Å; I15-I19 PolarHBondContact O-N 2.76Å |
| 16 | S | 92.7 | Very high | 85.7 | Confident | 67 Ų | 67 | 106.4 Ų | 106.4 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 112.1 | E12 I13 Q14 I19 E20 | E12-S16 WeakPolarHBondContact O-CB 3.31Å; E12-S16 PolarHBondContact O-N 3.09Å; I13-S16 PolarHBondContact O-N 3.28Å; Q14-S16 VanDerWaalsContact C-N 3.33Å; Q14-S16 PolarHBondContact O-N 2.98Å; S16-I19 PolarHBondContact O-N 3.43Å; S16-E20 PolarHBondContact O-N 3.27Å |
| 17 | Q | 94.3 | Very high | 87.8 | Confident | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.4 | -72.1 | 173.7 | -15.7 | 0 | 0 | 112.5 | I13 Q14 I15 I19 E20 Q21 | I13-Q17 WeakPolarHBondContact O-CG 3.29Å; I13-Q17 PolarHBondContact O-N 3.02Å; Q14-Q17 PolarHBondContact O-N 3.46Å; I15-Q17 VanDerWaalsContact C-N 3.34Å; I15-Q17 PolarHBondContact O-N 3.33Å; Q17-I19 VanDerWaalsContact C-N 3.34Å; Q17-I19 PolarHBondContact O-N 2.94Å; Q17-E20 PolarHBondContact O-N 3.08Å; Q17-Q21 WeakPolarHBondContact O-CG 3.24Å; Q17-Q21 PolarHBondContact O-N 3.27Å |
| 18 | I | 95.8 | Very high | 89.6 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 177.4 | -69 | 164.7 | 0 | 0 | 0 | 110.4 | Q14 I15 E20 Q21 Q22 | Q14-I18 VanDerWaalsContact O-CG1 3.31Å; Q14-I18 WeakPolarHBondContact O-CG1 3.42Å; Q14-I18 PolarHBondContact O-N 2.89Å; I15-I18 PolarHBondContact O-N 3.29Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.46Å; I18-Q21 PolarHBondContact O-N 2.95Å; I18-Q22 HydrophobicContact CG2-CG 4.35Å; I18-Q22 WeakPolarHBondContact O-CB 3.38Å; I18-Q22 WeakPolarHBondContact O-CG 3.49Å; I18-Q22 PolarHBondContact O-N 2.92Å |
| 19 | I | 96.7 | Very high | 91.6 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 177.8 | -70.9 | 167.4 | 0 | 0 | 0 | 110.6 | I15 S16 Q17 Q22 K23 | I15-I19 HydrophobicContact CG2-CD1 3.74Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.34Å; I15-I19 PolarHBondContact O-N 2.76Å; S16-I19 PolarHBondContact O-N 3.43Å; Q17-I19 VanDerWaalsContact C-N 3.34Å; Q17-I19 PolarHBondContact O-N 2.94Å; I19-Q22 PolarHBondContact O-N 3.48Å; I19-K23 HydrophobicContact CG2-CD 4.33Å; I19-K23 WeakPolarHBondContact O-CG 3.44Å; I19-K23 PolarHBondContact O-N 3.3Å |
| 20 | E | 97.6 | Very high | 93.4 | Very high | 82 Ų | 82 | 102 Ų | 102 | 38% | 0.383 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 178.2 | -73.8 | -55.3 | 127.2 | 0 | 0 | 112.8 | S16 Q17 I18 K23 R24 | S16-E20 PolarHBondContact O-N 3.27Å; Q17-E20 PolarHBondContact O-N 3.08Å; I18-E20 VanDerWaalsContact C-N 3.32Å; I18-E20 PolarHBondContact O-N 3.46Å; E20-K23 PolarHBondContact O-N 3.35Å; E20-K23 IonicContact OE1-NZ 2.76Å; E20-K23 PolarHBondContact OE1-NZ 3.12Å; E20-R24 WeakPolarHBondContact O-CG 3.49Å; E20-R24 PolarHBondContact O-N 2.87Å; E20-R24 VanDerWaalsContact O-N 3.08Å |
| 21 | Q | 97.5 | Very high | 94.7 | Very high | 132 Ų | 132 | 104.7 Ų | 104.7 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 172.9 | -72.5 | 174 | -12.3 | 0 | 0 | 111.7 | Q17 I18 R24 L25 | Q17-Q21 WeakPolarHBondContact O-CG 3.24Å; Q17-Q21 PolarHBondContact O-N 3.27Å; I18-Q21 PolarHBondContact O-N 2.95Å; Q21-R24 PolarHBondContact O-N 3.43Å; Q21-L25 WeakPolarHBondContact O-CB 3.46Å; Q21-L25 PolarHBondContact O-N 3.29Å |
| 22 | Q | 98.2 | Very high | 95.6 | Very high | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.3 | -75.1 | 178.3 | -15.3 | 0 | 0 | 111.9 | I18 I19 R24 L25 I26 | I18-Q22 HydrophobicContact CG2-CG 4.35Å; I18-Q22 WeakPolarHBondContact O-CB 3.38Å; I18-Q22 WeakPolarHBondContact O-CG 3.49Å; I18-Q22 PolarHBondContact O-N 2.92Å; I19-Q22 PolarHBondContact O-N 3.48Å; Q22-R24 PolarHBondContact O-N 3.25Å; Q22-L25 PolarHBondContact O-N 3.34Å; Q22-I26 WeakPolarHBondContact O-CB 3.34Å; Q22-I26 WeakPolarHBondContact O-CD1 3.35Å; Q22-I26 VanDerWaalsContact O-CG1 3.23Å; Q22-I26 WeakPolarHBondContact O-CG1 3.35Å; Q22-I26 PolarHBondContact O-N 3.29Å |
| 23 | K | 98.5 | Very high | 96.3 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 46% | 0.457 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 174.6 | -75 | 174.8 | -174.3 | 170.1 | 0 | 111.7 | I19 E20 L25 I26 I27 | I19-K23 HydrophobicContact CG2-CD 4.33Å; I19-K23 WeakPolarHBondContact O-CG 3.44Å; I19-K23 PolarHBondContact O-N 3.3Å; E20-K23 PolarHBondContact O-N 3.35Å; E20-K23 IonicContact OE1-NZ 2.76Å; E20-K23 PolarHBondContact OE1-NZ 3.12Å; K23-L25 PolarHBondContact O-N 2.89Å; K23-I26 PolarHBondContact O-N 3.47Å; K23-I27 WeakPolarHBondContact O-CG1 3.44Å; K23-I27 PolarHBondContact O-N 2.96Å; K23-I27 VanDerWaalsContact O-N 3.08Å |
| 24 | R | 98.5 | Very high | 97 | Very high | 167 Ų | 167 | 101.8 Ų | 101.8 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 177 | -72.2 | 175.6 | -174 | -98.6 | 0.2 | 111.8 | E20 Q21 Q22 I27 Q28 | E20-R24 WeakPolarHBondContact O-CG 3.49Å; E20-R24 PolarHBondContact O-N 2.87Å; E20-R24 VanDerWaalsContact O-N 3.08Å; Q21-R24 PolarHBondContact O-N 3.43Å; Q22-R24 PolarHBondContact O-N 3.25Å; R24-I27 PolarHBondContact O-N 3.34Å; R24-Q28 WeakPolarHBondContact O-CG 3.23Å; R24-Q28 PolarHBondContact O-N 3.44Å; R24-Q28 VanDerWaalsContact O-N 3.12Å |
| 25 | L | 98.7 | Very high | 97.5 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.6 | 179.3 | 60.7 | 0 | 0 | 0 | 111.9 | Q21 Q22 K23 I27 Q28 I29 | Q21-L25 WeakPolarHBondContact O-CB 3.46Å; Q21-L25 PolarHBondContact O-N 3.29Å; Q22-L25 PolarHBondContact O-N 3.34Å; K23-L25 PolarHBondContact O-N 2.89Å; L25-I27 VanDerWaalsContact C-N 3.3Å; L25-I27 PolarHBondContact O-N 2.95Å; L25-Q28 PolarHBondContact O-N 3.11Å; L25-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 HydrophobicContact CD1-CG1 4.29Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 3.48Å |
| 26 | I | 98.6 | Very high | 97.7 | Very high | 89 Ų | 89 | 106.5 Ų | 106.5 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 178.1 | -70.8 | 163.6 | 0 | 0 | 0 | 111 | Q22 K23 I29 K30 | Q22-I26 WeakPolarHBondContact O-CB 3.34Å; Q22-I26 WeakPolarHBondContact O-CD1 3.35Å; Q22-I26 VanDerWaalsContact O-CG1 3.23Å; Q22-I26 WeakPolarHBondContact O-CG1 3.35Å; Q22-I26 PolarHBondContact O-N 3.29Å; K23-I26 PolarHBondContact O-N 3.47Å; I26-I29 PolarHBondContact O-N 3.08Å; I26-K30 HydrophobicContact CG2-CD 4.24Å; I26-K30 WeakPolarHBondContact O-CG 3.33Å; I26-K30 PolarHBondContact O-N 3.01Å |
| 27 | I | 98.4 | Very high | 98 | Very high | 94 Ų | 94 | 105.8 Ų | 105.8 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 176.6 | -68.8 | 165.1 | 0 | 0 | 0 | 110.3 | K23 R24 L25 I29 K30 E31 | K23-I27 WeakPolarHBondContact O-CG1 3.44Å; K23-I27 PolarHBondContact O-N 2.96Å; K23-I27 VanDerWaalsContact O-N 3.08Å; R24-I27 PolarHBondContact O-N 3.34Å; L25-I27 VanDerWaalsContact C-N 3.3Å; L25-I27 PolarHBondContact O-N 2.95Å; I27-I29 VanDerWaalsContact C-N 3.31Å; I27-I29 PolarHBondContact O-N 2.93Å; I27-K30 PolarHBondContact O-N 3.33Å; I27-K30 VanDerWaalsContact O-N 3.11Å; I27-E31 HydrophobicContact CG2-CG 4.42Å; I27-E31 WeakPolarHBondContact O-CG 3.35Å; I27-E31 PolarHBondContact O-N 3.42Å |
| 28 | Q | 98.4 | Very high | 98.2 | Very high | 119 Ų | 119 | 106.2 Ų | 106.2 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -40.7 | 179.1 | -69.1 | 175.3 | 25 | 0 | 0 | 112.5 | R24 L25 E31 A32 | R24-Q28 WeakPolarHBondContact O-CG 3.23Å; R24-Q28 PolarHBondContact O-N 3.44Å; R24-Q28 VanDerWaalsContact O-N 3.12Å; L25-Q28 PolarHBondContact O-N 3.11Å; Q28-E31 PolarHBondContact O-N 3.38Å; Q28-A32 WeakPolarHBondContact O-CB 3.49Å; Q28-A32 PolarHBondContact O-N 2.95Å |
| 29 | I | 98.7 | Very high | 98.3 | Very high | 79 Ų | 79 | 108.4 Ų | 108.4 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | -70 | 168.1 | 0 | 0 | 0 | 110.4 | L25 I26 I27 A32 Q33 | L25-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 HydrophobicContact CD1-CG1 4.29Å; L25-I29 HydrophobicContact CG-CD1 3.88Å; L25-I29 WeakPolarHBondContact O-CG1 3.47Å; L25-I29 PolarHBondContact O-N 3.48Å; I26-I29 PolarHBondContact O-N 3.08Å; I27-I29 VanDerWaalsContact C-N 3.31Å; I27-I29 PolarHBondContact O-N 2.93Å; I29-A32 PolarHBondContact O-N 3.27Å; I29-Q33 HydrophobicContact CG2-CG 4.37Å; I29-Q33 WeakPolarHBondContact O-CB 3.33Å; I29-Q33 VanDerWaalsContact O-CG 3.24Å; I29-Q33 WeakPolarHBondContact O-CG 3.38Å; I29-Q33 PolarHBondContact O-N 2.95Å |
| 30 | K | 98.7 | Very high | 98.4 | Very high | 135 Ų | 135 | 108.3 Ų | 108.3 | 59% | 0.587 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 178.8 | -75.3 | -179.9 | 174.8 | -173.3 | 0 | 112.1 | I26 I27 Q33 L34 | I26-K30 HydrophobicContact CG2-CD 4.24Å; I26-K30 WeakPolarHBondContact O-CG 3.33Å; I26-K30 PolarHBondContact O-N 3.01Å; I27-K30 PolarHBondContact O-N 3.33Å; I27-K30 VanDerWaalsContact O-N 3.11Å; K30-Q33 PolarHBondContact O-N 3.39Å; K30-L34 WeakPolarHBondContact O-CB 3.24Å; K30-L34 PolarHBondContact O-N 3.42Å |
| 31 | E | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 108.2 Ų | 108.2 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.8 | -71.5 | 173.8 | 167.6 | 0 | 0 | 111.2 | I27 Q28 Q33 L34 L35 | I27-E31 HydrophobicContact CG2-CG 4.42Å; I27-E31 WeakPolarHBondContact O-CG 3.35Å; I27-E31 PolarHBondContact O-N 3.42Å; Q28-E31 PolarHBondContact O-N 3.38Å; E31-Q33 VanDerWaalsContact C-N 3.33Å; E31-Q33 PolarHBondContact O-N 2.94Å; E31-L34 PolarHBondContact O-N 3.35Å; E31-L35 WeakPolarHBondContact O-CG 3.37Å; E31-L35 PolarHBondContact O-N 3.36Å |
| 32 | A | 98.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 104.8 Ų | 104.8 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q28 I29 R36 | Q28-A32 WeakPolarHBondContact O-CB 3.49Å; Q28-A32 PolarHBondContact O-N 2.95Å; I29-A32 PolarHBondContact O-N 3.27Å; A32-R36 WeakPolarHBondContact O-CB 3.37Å; A32-R36 PolarHBondContact O-N 3.02Å |
| 33 | Q | 98.6 | Very high | 98.3 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.7 | -76.8 | 173.9 | -21.6 | 0 | 0 | 111.8 | I29 K30 E31 R36 A37 | I29-Q33 HydrophobicContact CG2-CG 4.37Å; I29-Q33 WeakPolarHBondContact O-CB 3.33Å; I29-Q33 VanDerWaalsContact O-CG 3.24Å; I29-Q33 WeakPolarHBondContact O-CG 3.38Å; I29-Q33 PolarHBondContact O-N 2.95Å; K30-Q33 PolarHBondContact O-N 3.39Å; E31-Q33 VanDerWaalsContact C-N 3.33Å; E31-Q33 PolarHBondContact O-N 2.94Å; Q33-R36 PolarHBondContact O-N 3.15Å; Q33-A37 PolarHBondContact O-N 3.39Å |
| 34 | L | 98.6 | Very high | 98.2 | Very high | 120 Ų | 120 | 105.3 Ų | 105.3 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -49.2 | 175.9 | -179.7 | 66.4 | 0 | 0 | 0 | 111 | K30 E31 R36 A37 E38 | K30-L34 WeakPolarHBondContact O-CB 3.24Å; K30-L34 PolarHBondContact O-N 3.42Å; E31-L34 PolarHBondContact O-N 3.35Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.93Å; L34-A37 PolarHBondContact O-N 3.44Å; L34-A37 VanDerWaalsContact O-N 3.15Å; L34-E38 PolarHBondContact O-N 2.96Å |
| 35 | L | 98.8 | Very high | 98 | Very high | 111 Ų | 111 | 104.7 Ų | 104.7 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 177.8 | -71.4 | 171.4 | 0 | 0 | 0 | 112.1 | E31 E38 L39 | E31-L35 WeakPolarHBondContact O-CG 3.37Å; E31-L35 PolarHBondContact O-N 3.36Å; L35-E38 PolarHBondContact O-N 2.9Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 3.12Å |
| 36 | R | 98.3 | Very high | 97.7 | Very high | 183 Ų | 183 | 105.4 Ų | 105.4 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 175 | -179.8 | 179 | -77.5 | 135.3 | -4.4 | 111.4 | A32 Q33 L34 L39 E40 | A32-R36 WeakPolarHBondContact O-CB 3.37Å; A32-R36 PolarHBondContact O-N 3.02Å; Q33-R36 PolarHBondContact O-N 3.15Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.93Å; R36-L39 PolarHBondContact O-N 2.98Å; R36-E40 WeakPolarHBondContact O-CB 3.44Å; R36-E40 PolarHBondContact O-N 3.48Å |
| 37 | A | 98.2 | Very high | 97.3 | Very high | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q33 L34 E40 T41 | Q33-A37 PolarHBondContact O-N 3.39Å; L34-A37 PolarHBondContact O-N 3.44Å; L34-A37 VanDerWaalsContact O-N 3.15Å; A37-E40 PolarHBondContact O-N 3.31Å; A37-T41 PolarHBondContact O-N 2.95Å; A37-T41 PolarHBondContact O-OG1 2.74Å |
| 38 | E | 98.3 | Very high | 96.9 | Very high | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.9 | -42.8 | 177.9 | -173.4 | 175.8 | -172.1 | 0 | 0 | 112.3 | L34 L35 E40 T41 C42 | L34-E38 PolarHBondContact O-N 2.96Å; L35-E38 PolarHBondContact O-N 2.9Å; E38-E40 VanDerWaalsContact C-N 3.32Å; E38-E40 PolarHBondContact O-N 2.83Å; E38-T41 PolarHBondContact O-N 3.46Å; E38-C42 WeakPolarHBondContact O-CB 3.37Å; E38-C42 PolarHBondContact O-N 3.29Å |
| 39 | L | 98.6 | Very high | 96.6 | Very high | 128 Ų | 128 | 105.7 Ų | 105.7 | 67% | 0.67 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 175.9 | -170.9 | 72.7 | 0 | 0 | 0 | 111.3 | L35 R36 C42 R43 | L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 PolarHBondContact O-N 3.12Å; R36-L39 PolarHBondContact O-N 2.98Å; L39-C42 WeakPolarHBondContact O-CB 3.47Å; L39-C42 PolarHBondContact O-N 2.85Å; L39-R43 WeakPolarHBondContact O-CB 3.36Å; L39-R43 PolarHBondContact O-N 3.28Å |
| 40 | E | 97.9 | Very high | 96.2 | Very high | 71 Ų | 71 | 103.9 Ų | 103.9 | 33% | 0.332 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.1 | -170.5 | 55.2 | -134.7 | 0 | 0 | 111.3 | R36 A37 E38 C42 R43 H44 | R36-E40 WeakPolarHBondContact O-CB 3.44Å; R36-E40 PolarHBondContact O-N 3.48Å; A37-E40 PolarHBondContact O-N 3.31Å; E38-E40 VanDerWaalsContact C-N 3.32Å; E38-E40 PolarHBondContact O-N 2.83Å; E40-C42 VanDerWaalsContact C-N 3.35Å; E40-C42 PolarHBondContact O-N 3.2Å; E40-R43 WeakPolarHBondContact O-CB 3.43Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-R43 IonicContact OE1-CZ 3.12Å; E40-R43 IonicContact OE1-NE 2.83Å; E40-R43 PolarHBondContact OE1-NE 3.07Å; E40-R43 IonicContact OE1-NH2 2.65Å; E40-R43 PolarHBondContact OE1-NH2 3.34Å; E40-R43 IonicContact OE2-CZ 3.94Å; E40-R43 IonicContact OE2-NE 3.43Å; E40-R43 PolarHBondContact OE2-NE 3.25Å; E40-R43 IonicContact OE2-NH2 3.94Å; E40-H44 PolarHBondContact O-N 3.17Å; E40-H44 PolarHBondContact O-ND1 3.43Å; E40-H44 IonicContact OE1-CE1 2.8Å; E40-H44 PolarHBondContact OE1-CE1 2.95Å; E40-H44 IonicContact OE1-ND1 3.14Å; E40-H44 PolarHBondContact OE1-ND1 3.03Å; E40-H44 VanDerWaalsContact OE1-ND1 3.14Å; E40-H44 IonicContact OE1-NE2 3.82Å |
| 41 | T | 97.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 173.2 | -60.2 | 0 | 0 | 0 | 0 | 112 | A37 E38 H44 R45 | A37-T41 PolarHBondContact O-N 2.95Å; A37-T41 PolarHBondContact O-OG1 2.74Å; E38-T41 PolarHBondContact O-N 3.46Å; T41-H44 PolarHBondContact O-N 2.92Å; T41-R45 WeakPolarHBondContact O-CG 3.49Å; T41-R45 PolarHBondContact O-N 2.99Å |
| 42 | C | 98.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 97.3 Ų | 97.3 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | E38 L39 E40 H44 R45 L46 | E38-C42 WeakPolarHBondContact O-CB 3.37Å; E38-C42 PolarHBondContact O-N 3.29Å; L39-C42 WeakPolarHBondContact O-CB 3.47Å; L39-C42 PolarHBondContact O-N 2.85Å; E40-C42 VanDerWaalsContact C-N 3.35Å; E40-C42 PolarHBondContact O-N 3.2Å; C42-H44 PolarHBondContact O-N 3.36Å; C42-R45 PolarHBondContact O-N 3.48Å; C42-L46 WeakPolarHBondContact O-CB 3.45Å; C42-L46 PolarHBondContact O-N 3.3Å |
| 43 | R | 96.3 | Very high | 94.6 | Very high | 133 Ų | 133 | 101 Ų | 101 | 50% | 0.502 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55.3 | -48.8 | 175.8 | -173.8 | -175.7 | 79.8 | 121.7 | 2.6 | 111.5 | L39 E40 L46 L47 | L39-R43 WeakPolarHBondContact O-CB 3.36Å; L39-R43 PolarHBondContact O-N 3.28Å; E40-R43 WeakPolarHBondContact O-CB 3.43Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-R43 IonicContact OE1-CZ 3.12Å; E40-R43 IonicContact OE1-NE 2.83Å; E40-R43 PolarHBondContact OE1-NE 3.07Å; E40-R43 IonicContact OE1-NH2 2.65Å; E40-R43 PolarHBondContact OE1-NH2 3.34Å; E40-R43 IonicContact OE2-CZ 3.94Å; E40-R43 IonicContact OE2-NE 3.43Å; E40-R43 PolarHBondContact OE2-NE 3.25Å; E40-R43 IonicContact OE2-NH2 3.94Å; R43-L46 PolarHBondContact O-N 3.5Å; R43-L47 HydrophobicContact CG-CD1 4.13Å; R43-L47 WeakPolarHBondContact O-CB 3.42Å; R43-L47 WeakPolarHBondContact O-CG 3.47Å; R43-L47 PolarHBondContact O-N 3.31Å |
| 44 | H | 95.6 | Very high | 94 | Very high | 93 Ų | 93 | 98.9 Ų | 98.9 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 178.3 | -77.2 | 94.5 | 0 | 0 | 0 | 112 | E40 T41 C42 L46 L47 E48 | E40-H44 PolarHBondContact O-N 3.17Å; E40-H44 PolarHBondContact O-ND1 3.43Å; E40-H44 IonicContact OE1-CE1 2.8Å; E40-H44 PolarHBondContact OE1-CE1 2.95Å; E40-H44 IonicContact OE1-ND1 3.14Å; E40-H44 PolarHBondContact OE1-ND1 3.03Å; E40-H44 VanDerWaalsContact OE1-ND1 3.14Å; E40-H44 IonicContact OE1-NE2 3.82Å; T41-H44 PolarHBondContact O-N 2.92Å; C42-H44 PolarHBondContact O-N 3.36Å; H44-L46 VanDerWaalsContact C-N 3.32Å; H44-L46 PolarHBondContact O-N 3.07Å; H44-L47 PolarHBondContact O-N 3.39Å; H44-E48 WeakPolarHBondContact O-CG 3.32Å; H44-E48 PolarHBondContact O-N 3.42Å |
| 45 | R | 95.3 | Very high | 93.2 | Very high | 154 Ų | 154 | 96.8 Ų | 96.8 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 178.8 | -72.1 | -174.3 | -64.6 | 164.3 | -1.6 | 112.4 | T41 C42 E48 S49 | T41-R45 WeakPolarHBondContact O-CG 3.49Å; T41-R45 PolarHBondContact O-N 2.99Å; C42-R45 PolarHBondContact O-N 3.48Å; R45-E48 PolarHBondContact O-N 3.35Å; R45-S49 WeakPolarHBondContact O-CB 3.46Å; R45-S49 PolarHBondContact O-N 2.65Å |
| 46 | L | 92.5 | Very high | 92.5 | Very high | 111 Ų | 111 | 94.7 Ų | 94.7 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 177.5 | -177.3 | 63.7 | 0 | 0 | 0 | 110.7 | C42 R43 H44 E48 S49 | C42-L46 WeakPolarHBondContact O-CB 3.45Å; C42-L46 PolarHBondContact O-N 3.3Å; R43-L46 PolarHBondContact O-N 3.5Å; H44-L46 VanDerWaalsContact C-N 3.32Å; H44-L46 PolarHBondContact O-N 3.07Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 2.79Å; L46-S49 PolarHBondContact O-N 3.43Å; L46-S49 PolarHBondContact O-OG 2.83Å |
| 47 | L | 89.7 | Confident | 91.9 | Very high | 82 Ų | 82 | 90.3 Ų | 90.3 | 43% | 0.429 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 178.3 | -70.9 | 175.7 | 0 | 0 | 0 | 112.6 | R43 H44 S49 I50 K55 | R43-L47 HydrophobicContact CG-CD1 4.13Å; R43-L47 WeakPolarHBondContact O-CB 3.42Å; R43-L47 WeakPolarHBondContact O-CG 3.47Å; R43-L47 PolarHBondContact O-N 3.31Å; H44-L47 PolarHBondContact O-N 3.39Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-I50 HydrophobicContact CD2-CD1 4.31Å; L47-I50 PolarHBondContact O-N 2.8Å; L47-K55 WeakPolarHBondContact O-CE 3.29Å; L47-K55 PolarHBondContact O-NZ 3.14Å |
| 48 | E | 90.5 | Very high | 91.3 | Very high | 144 Ų | 144 | 91.2 Ų | 91.2 | 67% | 0.673 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.6 | -32.8 | 174.9 | -75.1 | 179.6 | 166.7 | 0 | 0 | 112.7 | H44 R45 L46 I50 | H44-E48 WeakPolarHBondContact O-CG 3.32Å; H44-E48 PolarHBondContact O-N 3.42Å; R45-E48 PolarHBondContact O-N 3.35Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 2.79Å; E48-I50 PolarHBondContact O-N 2.96Å |
| 49 | S | 91.8 | Very high | 90.7 | Very high | 82 Ų | 82 | 89 Ų | 89 | 57% | 0.573 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.6 | -18 | 178.5 | 77 | 0 | 0 | 0 | 0 | 114.3 | R45 L46 L47 P51 | R45-S49 WeakPolarHBondContact O-CB 3.46Å; R45-S49 PolarHBondContact O-N 2.65Å; L46-S49 PolarHBondContact O-N 3.43Å; L46-S49 PolarHBondContact O-OG 2.83Å; L47-S49 VanDerWaalsContact C-N 3.33Å; S49-P51 WeakPolarHBondContact O-CD 3.33Å |
| 50 | I | 89.6 | Confident | 90.2 | Very high | 41 Ų | 41 | 88.3 Ų | 88.3 | 21% | 0.21 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -77.8 | 128.5 | 179.9 | -58.4 | 170.5 | 0 | 0 | 0 | 109.3 | L47 E48 I54 K55 I58 | L47-I50 HydrophobicContact CD2-CD1 4.31Å; L47-I50 PolarHBondContact O-N 2.8Å; E48-I50 PolarHBondContact O-N 2.96Å; I50-I54 HydrophobicContact CG2-CB 3.85Å; I50-I54 HydrophobicContact CG2-CG2 3.66Å; I50-K55 HydrophobicContact CB-CD 4.46Å; I50-K55 HydrophobicContact CB-CG 3.82Å; I50-K55 HydrophobicContact CG2-CB 4.49Å; I50-K55 HydrophobicContact CG2-CG 3.52Å; I50-K55 WeakPolarHBondContact O-CE 2.98Å; I50-I58 HydrophobicContact CD1-CD1 4.47Å; I50-I58 HydrophobicContact CG2-CD1 4.43Å |
| 51 | P | 90.3 | Very high | 89.7 | Confident | 63 Ų | 63 | 89.8 Ų | 89.8 | 41% | 0.409 | 47% | 0.472 | S | S | . | . | trans | -58.3 | 141.2 | 172.6 | -26.9 | 36 | 0 | 0 | 0 | 112.7 | S49 H53 I54 K55 | S49-P51 WeakPolarHBondContact O-CD 3.33Å; P51-H53 VanDerWaalsContact C-N 3.3Å; P51-H53 VanDerWaalsContact CB-CE1 3.42Å; P51-H53 WeakPolarHBondContact CB-CE1 2.96Å; P51-H53 PolarHBondContact O-N 3.46Å; P51-H53 VanDerWaalsContact O-N 3.17Å; P51-I54 HydrophobicContact CB-CD1 4.17Å; P51-I54 HydrophobicContact CB-CG1 4.44Å; P51-I54 HydrophobicContact CG-CD1 3.93Å; P51-I54 PolarHBondContact O-N 3.43Å; P51-K55 PolarHBondContact O-N 3Å | ||
| 52 | G | 86.2 | Confident | 89.3 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -54.7 | -38.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K55 C56 | G52-K55 WeakPolarHBondContact O-CB 3.5Å; G52-K55 PolarHBondContact O-N 3.21Å; G52-C56 PolarHBondContact O-N 3.28Å |
| 53 | H | 85.2 | Confident | 88.7 | Confident | 130 Ų | 130 | 92.3 Ų | 92.3 | 60% | 0.602 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 177.3 | 58.6 | -83.9 | 0 | 0 | 0 | 112.1 | P51 K55 C56 D57 | P51-H53 VanDerWaalsContact C-N 3.3Å; P51-H53 VanDerWaalsContact CB-CE1 3.42Å; P51-H53 WeakPolarHBondContact CB-CE1 2.96Å; P51-H53 PolarHBondContact O-N 3.46Å; P51-H53 VanDerWaalsContact O-N 3.17Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 2.86Å; H53-C56 WeakPolarHBondContact O-CB 3.21Å; H53-C56 PolarHBondContact O-N 2.84Å; H53-D57 PolarHBondContact O-N 3.19Å; H53-D57 VanDerWaalsContact O-N 3.09Å |
| 54 | I | 86.1 | Confident | 88.3 | Confident | 67 Ų | 67 | 89.9 Ų | 89.9 | 34% | 0.344 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 175.4 | -64.7 | 171.6 | 0 | 0 | 0 | 110.9 | I50 P51 C56 D57 I58 | I50-I54 HydrophobicContact CG2-CB 3.85Å; I50-I54 HydrophobicContact CG2-CG2 3.66Å; P51-I54 HydrophobicContact CB-CD1 4.17Å; P51-I54 HydrophobicContact CB-CG1 4.44Å; P51-I54 HydrophobicContact CG-CD1 3.93Å; P51-I54 PolarHBondContact O-N 3.43Å; I54-C56 VanDerWaalsContact C-N 3.31Å; I54-C56 PolarHBondContact O-N 3.44Å; I54-D57 PolarHBondContact O-N 2.81Å; I54-I58 HydrophobicContact CG2-CD1 3.68Å; I54-I58 HydrophobicContact CG2-CG1 4.13Å; I54-I58 WeakPolarHBondContact O-CB 3.45Å; I54-I58 VanDerWaalsContact O-CG1 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.48Å; I54-I58 PolarHBondContact O-N 3.49Å |
| 55 | K | 83.1 | Confident | 87.9 | Confident | 76 Ų | 76 | 90.8 Ų | 90.8 | 33% | 0.33 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 175.8 | -62.8 | -169.9 | -155.7 | -170 | 0 | 111.4 | L47 I50 P51 G52 H53 T59 | L47-K55 WeakPolarHBondContact O-CE 3.29Å; L47-K55 PolarHBondContact O-NZ 3.14Å; I50-K55 HydrophobicContact CB-CD 4.46Å; I50-K55 HydrophobicContact CB-CG 3.82Å; I50-K55 HydrophobicContact CG2-CB 4.49Å; I50-K55 HydrophobicContact CG2-CG 3.52Å; I50-K55 WeakPolarHBondContact O-CE 2.98Å; P51-K55 PolarHBondContact O-N 3Å; G52-K55 WeakPolarHBondContact O-CB 3.5Å; G52-K55 PolarHBondContact O-N 3.21Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 2.86Å; K55-T59 VanDerWaalsContact O-CB 3.32Å; K55-T59 WeakPolarHBondContact O-CB 3.41Å; K55-T59 PolarHBondContact O-N 3.19Å; K55-T59 PolarHBondContact O-OG1 3.19Å |
| 56 | C | 83.1 | Confident | 87.5 | Confident | 68 Ų | 68 | 87.4 Ų | 87.4 | 46% | 0.459 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 175.5 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | G52 H53 I54 I58 T59 H60 | G52-C56 PolarHBondContact O-N 3.28Å; H53-C56 WeakPolarHBondContact O-CB 3.21Å; H53-C56 PolarHBondContact O-N 2.84Å; I54-C56 VanDerWaalsContact C-N 3.31Å; I54-C56 PolarHBondContact O-N 3.44Å; C56-I58 PolarHBondContact O-N 3.14Å; C56-T59 PolarHBondContact O-N 3.38Å; C56-T59 VanDerWaalsContact O-N 3.11Å; C56-H60 PolarHBondContact O-CD2 3.34Å; C56-H60 PolarHBondContact O-N 3.38Å |
| 57 | D | 86.8 | Confident | 87.2 | Confident | 91 Ų | 91 | 83.9 Ų | 83.9 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 179.9 | -65.6 | -22.2 | 0 | 0 | 0 | 112.3 | H53 I54 H60 N61 | H53-D57 PolarHBondContact O-N 3.19Å; H53-D57 VanDerWaalsContact O-N 3.09Å; I54-D57 PolarHBondContact O-N 2.81Å; D57-H60 PolarHBondContact O-N 2.96Å; D57-N61 WeakPolarHBondContact O-CB 3.36Å; D57-N61 VanDerWaalsContact O-CG 3.3Å; D57-N61 PolarHBondContact O-N 3.21Å; D57-N61 PolarHBondContact O-ND2 3.44Å |
| 58 | I | 85.7 | Confident | 87.1 | Confident | 72 Ų | 72 | 86.5 Ų | 86.5 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.9 | -69.7 | 170.1 | 0 | 0 | 0 | 110.2 | I50 I54 C56 H60 N61 I62 | I50-I58 HydrophobicContact CD1-CD1 4.47Å; I50-I58 HydrophobicContact CG2-CD1 4.43Å; I54-I58 HydrophobicContact CG2-CD1 3.68Å; I54-I58 HydrophobicContact CG2-CG1 4.13Å; I54-I58 WeakPolarHBondContact O-CB 3.45Å; I54-I58 VanDerWaalsContact O-CG1 3.3Å; I54-I58 WeakPolarHBondContact O-CG1 3.48Å; I54-I58 PolarHBondContact O-N 3.49Å; C56-I58 PolarHBondContact O-N 3.14Å; I58-H60 PolarHBondContact O-N 3.36Å; I58-N61 PolarHBondContact O-N 2.63Å; I58-I62 HydrophobicContact CG2-CD1 3.59Å; I58-I62 HydrophobicContact CG2-CG1 4.31Å; I58-I62 WeakPolarHBondContact O-CB 3.49Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 2.75Å; I58-I62 PolarHBondContact O-N 3Å |
| 59 | T | 84.7 | Confident | 86.8 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | -178.2 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | K55 C56 I62 I63 | K55-T59 VanDerWaalsContact O-CB 3.32Å; K55-T59 WeakPolarHBondContact O-CB 3.41Å; K55-T59 PolarHBondContact O-N 3.19Å; K55-T59 PolarHBondContact O-OG1 3.19Å; C56-T59 PolarHBondContact O-N 3.38Å; C56-T59 VanDerWaalsContact O-N 3.11Å; T59-I62 PolarHBondContact O-N 2.81Å; T59-I63 HydrophobicContact CG2-CD1 3.72Å; T59-I63 HydrophobicContact CG2-CG1 4.44Å; T59-I63 WeakPolarHBondContact O-CB 3.31Å; T59-I63 VanDerWaalsContact O-CG1 3.25Å; T59-I63 WeakPolarHBondContact O-CG1 3.3Å; T59-I63 PolarHBondContact O-N 2.89Å |
| 60 | H | 88 | Confident | 86.2 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 53% | 0.528 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.6 | -73.8 | -63.1 | 0 | 0 | 0 | 111.7 | C56 D57 I58 I62 I63 D64 | C56-H60 PolarHBondContact O-CD2 3.34Å; C56-H60 PolarHBondContact O-N 3.38Å; D57-H60 PolarHBondContact O-N 2.96Å; I58-H60 PolarHBondContact O-N 3.36Å; H60-I62 VanDerWaalsContact C-N 3.33Å; H60-I62 PolarHBondContact O-N 3.5Å; H60-I63 PolarHBondContact O-N 3.47Å; H60-D64 VanDerWaalsContact O-CB 3.3Å; H60-D64 WeakPolarHBondContact O-CB 3.25Å; H60-D64 PolarHBondContact O-N 2.73Å |
| 61 | N | 88.2 | Confident | 85.5 | Confident | 102 Ų | 102 | 87.4 Ų | 87.4 | 55% | 0.545 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -40.8 | 178.4 | -78.9 | -53 | 0 | 0 | 0 | 113.1 | D57 I58 K65 | D57-N61 WeakPolarHBondContact O-CB 3.36Å; D57-N61 VanDerWaalsContact O-CG 3.3Å; D57-N61 PolarHBondContact O-N 3.21Å; D57-N61 PolarHBondContact O-ND2 3.44Å; I58-N61 PolarHBondContact O-N 2.63Å; N61-K65 VanDerWaalsContact O-CB 3.31Å; N61-K65 WeakPolarHBondContact O-CB 3.43Å; N61-K65 PolarHBondContact O-N 3.42Å |
| 62 | I | 88.7 | Confident | 84.3 | Confident | 93 Ų | 93 | 88.8 Ų | 88.8 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.4 | -48 | 177.3 | -69.2 | 170.9 | 0 | 0 | 0 | 110.3 | I58 T59 H60 D64 K65 L66 | I58-I62 HydrophobicContact CG2-CD1 3.59Å; I58-I62 HydrophobicContact CG2-CG1 4.31Å; I58-I62 WeakPolarHBondContact O-CB 3.49Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 2.75Å; I58-I62 PolarHBondContact O-N 3Å; T59-I62 PolarHBondContact O-N 2.81Å; H60-I62 VanDerWaalsContact C-N 3.33Å; H60-I62 PolarHBondContact O-N 3.5Å; I62-D64 VanDerWaalsContact C-N 3.33Å; I62-D64 PolarHBondContact O-N 2.96Å; I62-K65 PolarHBondContact O-N 3.11Å; I62-L66 HydrophobicContact CG2-CD1 3.87Å; I62-L66 HydrophobicContact CG2-CG 4.31Å; I62-L66 WeakPolarHBondContact O-CB 3.34Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 2.96Å |
| 63 | I | 86.1 | Confident | 83.3 | Confident | 99 Ų | 99 | 92.1 Ų | 92.1 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 178.5 | -70.7 | 170.3 | 0 | 0 | 0 | 110.3 | T59 H60 K65 L66 G67 | T59-I63 HydrophobicContact CG2-CD1 3.72Å; T59-I63 HydrophobicContact CG2-CG1 4.44Å; T59-I63 WeakPolarHBondContact O-CB 3.31Å; T59-I63 VanDerWaalsContact O-CG1 3.25Å; T59-I63 WeakPolarHBondContact O-CG1 3.3Å; T59-I63 PolarHBondContact O-N 2.89Å; H60-I63 PolarHBondContact O-N 3.47Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 2.92Å; I63-L66 PolarHBondContact O-N 3.4Å; I63-G67 PolarHBondContact O-N 2.94Å |
| 64 | D | 86.3 | Confident | 82 | Confident | 82 Ų | 82 | 91.9 Ų | 91.9 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 178.9 | -74.3 | -9.7 | 0 | 0 | 0 | 111.5 | H60 I62 G67 R68 | H60-D64 VanDerWaalsContact O-CB 3.3Å; H60-D64 WeakPolarHBondContact O-CB 3.25Å; H60-D64 PolarHBondContact O-N 2.73Å; I62-D64 VanDerWaalsContact C-N 3.33Å; I62-D64 PolarHBondContact O-N 2.96Å; D64-G67 PolarHBondContact O-N 2.94Å; D64-R68 WeakPolarHBondContact O-CG 3.3Å; D64-R68 PolarHBondContact O-N 3.49Å |
| 65 | K | 89 | Confident | 80.7 | Confident | 113 Ų | 113 | 95.3 Ų | 95.3 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 176.1 | -177 | 177.6 | -177.5 | -62.5 | 0 | 111.3 | N61 I62 I63 G67 R68 D69 | N61-K65 VanDerWaalsContact O-CB 3.31Å; N61-K65 WeakPolarHBondContact O-CB 3.43Å; N61-K65 PolarHBondContact O-N 3.42Å; I62-K65 PolarHBondContact O-N 3.11Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 PolarHBondContact O-N 2.92Å; K65-G67 VanDerWaalsContact C-N 3.31Å; K65-G67 PolarHBondContact O-N 3.31Å; K65-R68 PolarHBondContact O-N 3.37Å; K65-D69 IonicContact NZ-OD1 3.88Å; K65-D69 IonicContact NZ-OD2 2.74Å; K65-D69 PolarHBondContact NZ-OD2 3.35Å; K65-D69 WeakPolarHBondContact O-CB 3.48Å; K65-D69 PolarHBondContact O-N 2.7Å |
| 66 | L | 86.3 | Confident | 79.2 | Confident | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.7 | -45.4 | 176.5 | -71.6 | 173.7 | 0 | 0 | 0 | 110.8 | I62 I63 R68 D69 F70 | I62-L66 HydrophobicContact CG2-CD1 3.87Å; I62-L66 HydrophobicContact CG2-CG 4.31Å; I62-L66 WeakPolarHBondContact O-CB 3.34Å; I62-L66 WeakPolarHBondContact O-CG 3.42Å; I62-L66 PolarHBondContact O-N 2.96Å; I63-L66 PolarHBondContact O-N 3.4Å; L66-R68 VanDerWaalsContact C-N 3.32Å; L66-R68 PolarHBondContact O-N 2.98Å; L66-D69 PolarHBondContact O-N 2.82Å; L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.2Å; L66-F70 HydrophobicContact CD2-CE2 4.44Å; L66-F70 WeakPolarHBondContact O-CD2 3.49Å; L66-F70 PolarHBondContact O-N 3.27Å |
| 67 | G | 86.2 | Confident | 77.6 | Confident | 37 Ų | 37 | 101.6 Ų | 101.6 | 38% | 0.381 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.7 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I63 D64 K65 V71 | I63-G67 PolarHBondContact O-N 2.94Å; D64-G67 PolarHBondContact O-N 2.94Å; K65-G67 VanDerWaalsContact C-N 3.31Å; K65-G67 PolarHBondContact O-N 3.31Å; G67-V71 WeakPolarHBondContact O-CG2 3.5Å; G67-V71 PolarHBondContact O-N 2.91Å; G67-V71 VanDerWaalsContact O-N 3.14Å |
| 68 | R | 86.9 | Confident | 75.7 | Confident | 137 Ų | 137 | 102 Ų | 102 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.2 | -71.8 | -172.3 | -59.9 | -94 | 0.4 | 113 | D64 K65 L66 F70 V71 N72 | D64-R68 WeakPolarHBondContact O-CG 3.3Å; D64-R68 PolarHBondContact O-N 3.49Å; K65-R68 PolarHBondContact O-N 3.37Å; L66-R68 VanDerWaalsContact C-N 3.32Å; L66-R68 PolarHBondContact O-N 2.98Å; R68-F70 VanDerWaalsContact C-N 3.33Å; R68-F70 PolarHBondContact O-N 3.04Å; R68-V71 PolarHBondContact O-N 2.97Å; R68-N72 WeakPolarHBondContact O-CB 3.32Å; R68-N72 PolarHBondContact O-N 2.88Å; R68-N72 PolarHBondContact O-ND2 2.94Å |
| 69 | D | 84.9 | Confident | 73.6 | Confident | 63 Ų | 63 | 105 Ų | 105 | 34% | 0.337 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.5 | -44.9 | -180 | -67.8 | -14.5 | 0 | 0 | 0 | 109.8 | K65 L66 V71 N72 D73 | K65-D69 IonicContact NZ-OD1 3.88Å; K65-D69 IonicContact NZ-OD2 2.74Å; K65-D69 PolarHBondContact NZ-OD2 3.35Å; K65-D69 WeakPolarHBondContact O-CB 3.48Å; K65-D69 PolarHBondContact O-N 2.7Å; L66-D69 PolarHBondContact O-N 2.82Å; D69-V71 PolarHBondContact O-N 2.87Å; D69-N72 PolarHBondContact O-N 2.94Å; D69-D73 PolarHBondContact O-N 3.08Å |
| 70 | F | 79.5 | Confident | 71.7 | Confident | 138 Ų | 138 | 106.8 Ų | 106.8 | 61% | 0.605 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70 | -28.4 | 176.1 | -68.5 | -63.6 | 0 | 0 | 0 | 114.9 | L66 R68 N74 | L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.2Å; L66-F70 HydrophobicContact CD2-CE2 4.44Å; L66-F70 WeakPolarHBondContact O-CD2 3.49Å; L66-F70 PolarHBondContact O-N 3.27Å; R68-F70 VanDerWaalsContact C-N 3.33Å; R68-F70 PolarHBondContact O-N 3.04Å; F70-N74 PolarHBondContact O-ND2 3.08Å |
| 71 | V | 75.4 | Confident | 69.4 | Low | 84 Ų | 84 | 106.7 Ų | 106.7 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.2 | -38.3 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | G67 R68 D69 N74 | G67-V71 WeakPolarHBondContact O-CG2 3.5Å; G67-V71 PolarHBondContact O-N 2.91Å; G67-V71 VanDerWaalsContact O-N 3.14Å; R68-V71 PolarHBondContact O-N 2.97Å; D69-V71 PolarHBondContact O-N 2.87Å; V71-N74 PolarHBondContact O-N 3.3Å |
| 72 | N | 64.8 | Low | 67.1 | Low | 93 Ų | 93 | 108.7 Ų | 108.7 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71.9 | -32.5 | -177.1 | -68.6 | -24.3 | 0 | 0 | 0 | 112.5 | R68 D69 N74 Q75 | R68-N72 WeakPolarHBondContact O-CB 3.32Å; R68-N72 PolarHBondContact O-N 2.88Å; R68-N72 PolarHBondContact O-ND2 2.94Å; D69-N72 PolarHBondContact O-N 2.94Å; N72-N74 PolarHBondContact O-N 3.27Å; N72-Q75 PolarHBondContact O-N 3.43Å; N72-Q75 VanDerWaalsContact O-N 3.07Å |
| 73 | D | 63.6 | Low | 64.8 | Low | 119 Ų | 119 | 112 Ų | 112 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61 | -29.8 | 175.1 | -72.3 | -22.4 | 0 | 0 | 0 | 112.3 | D69 | D69-D73 PolarHBondContact O-N 3.08Å |
| 74 | N | 58.8 | Low | 62.7 | Low | 125 Ų | 125 | 115 Ų | 115 | 67% | 0.668 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -9.9 | 177.7 | -68.7 | -34.5 | 0 | 0 | 0 | 114.1 | F70 V71 N72 | F70-N74 PolarHBondContact O-ND2 3.08Å; V71-N74 PolarHBondContact O-N 3.3Å; N72-N74 PolarHBondContact O-N 3.27Å |
| 75 | Q | 57.9 | Low | 60.4 | Low | 138 Ų | 138 | 117.2 Ų | 117.2 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -12.6 | 177.6 | -76.5 | -162.7 | 51.9 | 0 | 0 | 114 | N72 T77 | N72-Q75 PolarHBondContact O-N 3.43Å; N72-Q75 VanDerWaalsContact O-N 3.07Å; Q75-T77 PolarHBondContact O-N 2.89Å; Q75-T77 VanDerWaalsContact O-N 3.12Å |
| 76 | L | 52.5 | Low | 57.8 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 4.4 | -177.1 | -158.3 | 61.9 | 0 | 0 | 0 | 114.4 | ||
| 77 | T | 49.2 | Very low | 55.4 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 3.9 | 178.6 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | Q75 | Q75-T77 PolarHBondContact O-N 2.89Å; Q75-T77 VanDerWaalsContact O-N 3.12Å |
| 78 | T | 46.4 | Very low | 53 | Low | 99 Ų | 99 | 122.3 Ų | 122.3 | 61% | 0.607 | 68% | 0.681 | S | S | * | * | trans | -117.3 | 46.7 | -177 | -22.8 | 0 | 0 | 0 | 0 | 113.6 | T80 | T78-T80 PolarHBondContact O-N 3.02Š| ||
| 79 | T | 42.5 | Very low | 50.7 | Low | 134 Ų | 134 | 123 Ų | 123 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -71.7 | 89.6 | 154.3 | -35 | 0 | 0 | 0 | 0 | 107 | ||||
| 80 | T | 44.1 | Very low | 48.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | trans | 137.9 | 96.3 | 162.5 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | T78 | T78-T80 PolarHBondContact O-N 3.02Š| ||
| 81 | S | 40.9 | Very low | 46.6 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -169.3 | 111.6 | 138.6 | -85.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 82 | N | 39 | Very low | 44.9 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | trans | -61 | 142.1 | -177 | -61.5 | -37 | 0 | 0 | 0 | 112.7 | ||||
| 83 | N | 39.7 | Very low | 43.9 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 26.8 | 91.3 | 146.1 | -66.6 | -8.8 | 0 | 0 | 0 | 118 | ||||
| 84 | I | 42.8 | Very low | 43 | Very low | 164 Ų | 164 | 138 Ų | 138 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -142.6 | 100.8 | 146.2 | -55.8 | -177.4 | 0 | 0 | 0 | 109.4 | ||||
| 85 | T | 38.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 9.4 | 121.1 | 148.1 | -42.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 86 | S | 33.1 | Very low | 41.8 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -14 | 123.8 | 151.6 | -47.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 87 | T | 36.6 | Very low | 41.6 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | 171.1 | 145.6 | 110 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 88 | T | 35.9 | Very low | 41.7 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 83.9 | 102.1 | 156.2 | -33.4 | 0 | 0 | 0 | 0 | 117.5 | ||
| 89 | D | 38.7 | Very low | 41.8 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 60.5 | 80.4 | 142.5 | -51.9 | -20 | 0 | 0 | 0 | 118.2 | ||||
| 90 | K | 35.7 | Very low | 42 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -130.4 | 95.8 | 161.4 | -81.6 | -176.9 | 179.2 | 168.9 | 0 | 111.3 | ||||
| 91 | T | 42.4 | Very low | 42.4 | Very low | 137 Ų | 137 | 146 Ų | 146 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -134.8 | 73.6 | 134 | 58 | 0 | 0 | 0 | 0 | 107.8 | Y93 | T91-Y93 PolarHBondContact O-N 3.09Š| ||
| 92 | N | 39 | Very low | 42.8 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -67.6 | 80.1 | 160.9 | -141.9 | 18.7 | 0 | 0 | 0 | 106 | N94 | N92-N94 VanDerWaalsContact C-N 3.33Å; N92-N94 PolarHBondContact O-N 3.26Å | ||
| 93 | Y | 44.6 | Very low | 43.6 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 73% | 0.725 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 94.4 | 178.8 | -171.5 | -93.1 | 0 | 0 | 0 | 106.8 | T91 Q95 | T91-Y93 PolarHBondContact O-N 3.09Å; Y93-Q95 VanDerWaalsContact C-N 3.31Å; Y93-Q95 HydrophobicContact CD1-CG 3.72Å; Y93-Q95 HydrophobicContact CE1-CG 4.14Å; Y93-Q95 PolarHBondContact O-N 3.29Å | ||
| 94 | N | 43.5 | Very low | 43.8 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -58.7 | 93.5 | 175.1 | -103 | -22 | 0 | 0 | 0 | 108.9 | N92 N96 | N92-N94 VanDerWaalsContact C-N 3.33Å; N92-N94 PolarHBondContact O-N 3.26Å; N94-N96 PolarHBondContact O-N 3.45Å | ||
| 95 | Q | 46.9 | Very low | 43.9 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -72.4 | 75.4 | 172.4 | -68.8 | -169 | -21.1 | 0 | 0 | 109.8 | Y93 I97 | Y93-Q95 VanDerWaalsContact C-N 3.31Å; Y93-Q95 HydrophobicContact CD1-CG 3.72Å; Y93-Q95 HydrophobicContact CE1-CG 4.14Å; Y93-Q95 PolarHBondContact O-N 3.29Å; Q95-I97 PolarHBondContact O-N 3.05Å; Q95-I97 VanDerWaalsContact O-N 3.08Å | ||
| 96 | N | 45 | Very low | 44.1 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 64.1 | 156.9 | -99.6 | -33.6 | 0 | 0 | 0 | 108.6 | N94 T98 | N94-N96 PolarHBondContact O-N 3.45Å; N96-T98 PolarHBondContact O-N 3.22Å; N96-T98 VanDerWaalsContact O-N 3.08Å | ||
| 97 | I | 49 | Very low | 44.8 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 64% | 0.641 | 80% | 0.796 | S | S | * | * | trans | -78.9 | 87.3 | 161.4 | -63.9 | 172.6 | 0 | 0 | 0 | 104.9 | Q95 Q99 | Q95-I97 PolarHBondContact O-N 3.05Å; Q95-I97 VanDerWaalsContact O-N 3.08Å; I97-Q99 PolarHBondContact O-N 3.17Å | ||
| 98 | T | 51.7 | Low | 45.3 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -53.2 | 109.5 | 164.3 | -14.6 | 0 | 0 | 0 | 0 | 106.4 | N96 L100 | N96-T98 PolarHBondContact O-N 3.22Å; N96-T98 VanDerWaalsContact O-N 3.08Å; T98-L100 PolarHBondContact O-N 3.07Å | ||
| 99 | Q | 48 | Very low | 45.9 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -55 | 103.3 | -178.8 | -69.4 | 173 | -8 | 0 | 0 | 108.5 | I97 K101 | I97-Q99 PolarHBondContact O-N 3.17Å; Q99-K101 PolarHBondContact O-N 2.87Å | ||
| 100 | L | 47.5 | Very low | 46.5 | Very low | 153 Ų | 153 | 157.8 Ų | 157.8 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 90.3 | 168.8 | -168.6 | 77.6 | 0 | 0 | 0 | 106.4 | T98 L102 | T98-L100 PolarHBondContact O-N 3.07Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.85Å | ||
| 101 | K | 52 | Low | 47.3 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -67.2 | 95.8 | 173.7 | -171.7 | 179.5 | -178.3 | -179.8 | 0 | 107.6 | Q99 T103 | Q99-K101 PolarHBondContact O-N 2.87Å; K101-T103 VanDerWaalsContact C-N 3.31Å; K101-T103 HydrophobicContact CD-CG2 4.43Å; K101-T103 HydrophobicContact CG-CG2 4.36Å; K101-T103 PolarHBondContact O-N 2.82Å | ||
| 102 | L | 48.8 | Very low | 47.7 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 95 | 162 | -72.3 | 155.9 | 0 | 0 | 0 | 106.7 | L100 | L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.85Å | ||
| 103 | T | 56.4 | Low | 48.5 | Very low | 185 Ų | 185 | 156.8 Ų | 156.8 | 100% | 1.135 | 80% | 0.795 | S | S | * | * | trans | -76.9 | 0 | 156.2 | 43.8 | 0 | 0 | 0 | 0 | 109.7 | K101 | K101-T103 VanDerWaalsContact C-N 3.31Å; K101-T103 HydrophobicContact CD-CG2 4.43Å; K101-T103 HydrophobicContact CG-CG2 4.36Å; K101-T103 PolarHBondContact O-N 2.82Å |
Retrieved 103 of 103 residues in 46.2 ms
(Link to these results)