| 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 | 47.4 | Very low | 56.1 | Low | 240 Ų | 240 | 134.4 Ų | 134.4 | 100% | 1.182 | 70% | 0.698 | S | S | * | * | 0 | 93 | 0 | -65.7 | 170.2 | 98.2 | 0 | 0 | 107.4 | V3 | M1-V3 PolarHBondContact O-N 3.27Š| |||
| 2 | G | 53 | Low | 55.9 | Low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | -86.9 | 85.2 | 180 | 0 | 0 | 0 | 0 | 0 | 109.9 | V4 | G2-V4 PolarHBondContact O-N 3.43Š| ||
| 3 | V | 58.3 | Low | 55.6 | Low | 135 Ų | 135 | 133.6 Ų | 133.6 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -91.2 | 67.2 | 159.4 | -165.7 | 0 | 0 | 0 | 0 | 105.6 | M1 S5 | M1-V3 PolarHBondContact O-N 3.27Å; V3-S5 VanDerWaalsContact C-N 3.32Å; V3-S5 PolarHBondContact O-N 3.07Å | ||
| 4 | V | 55.9 | Low | 55.4 | Low | 100 Ų | 100 | 129.5 Ų | 129.5 | 61% | 0.606 | 66% | 0.659 | S | S | * | * | trans | -71.9 | 104.5 | 165.4 | -169.8 | 0 | 0 | 0 | 0 | 103.6 | G2 I6 | G2-V4 PolarHBondContact O-N 3.43Å; V4-I6 PolarHBondContact O-N 3.36Å | ||
| 5 | S | 60.6 | Low | 55.4 | Low | 43 Ų | 43 | 126.7 Ų | 126.7 | 30% | 0.301 | 65% | 0.653 | S | S | . | * | trans | -54.5 | 138.4 | -167.4 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | V3 E7 Y8 | V3-S5 VanDerWaalsContact C-N 3.32Å; V3-S5 PolarHBondContact O-N 3.07Å; S5-E7 PolarHBondContact O-N 3.46Å; S5-E7 PolarHBondContact OG-OE2 2.84Å; S5-Y8 WeakPolarHBondContact O-CB 3.49Å; S5-Y8 PolarHBondContact O-N 3.27Å | ||
| 6 | I | 61.6 | Low | 55.5 | Low | 140 Ų | 140 | 126.6 Ų | 126.6 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -46 | -29.3 | 170 | -78.2 | 167.2 | 0 | 0 | 0 | 110.9 | V4 Y8 Y9 V10 | V4-I6 PolarHBondContact O-N 3.36Å; I6-Y8 VanDerWaalsContact C-N 3.27Å; I6-Y8 PolarHBondContact O-N 2.94Å; I6-Y9 CarbonylContact O-C 3.55Å; I6-Y9 WeakPolarHBondContact O-CA 3.35Å; I6-Y9 WeakPolarHBondContact O-CB 3.43Å; I6-Y9 PolarHBondContact O-N 3.46Å; I6-V10 HydrophobicContact CG2-CG2 3.93Å; I6-V10 WeakPolarHBondContact O-CG2 3.47Å; I6-V10 PolarHBondContact O-N 2.81Å |
| 7 | E | 55.9 | Low | 56.1 | Low | 149 Ų | 149 | 124.8 Ų | 124.8 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -51.1 | -41.1 | 172.6 | -60.1 | 178.2 | 144.2 | 0 | 0 | 113.6 | S5 Y9 V10 Y11 | S5-E7 PolarHBondContact O-N 3.46Å; S5-E7 PolarHBondContact OG-OE2 2.84Å; E7-Y9 VanDerWaalsContact C-N 3.34Å; E7-V10 PolarHBondContact O-N 3.07Å; E7-Y11 PolarHBondContact O-N 3.4Å |
| 8 | Y | 56.7 | Low | 57.2 | Low | 137 Ų | 137 | 125.4 Ų | 125.4 | 54% | 0.537 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.1 | -37.7 | 177.4 | -137.2 | -85.4 | 0 | 0 | 0 | 111.5 | S5 I6 Y11 Y12 | S5-Y8 WeakPolarHBondContact O-CB 3.49Å; S5-Y8 PolarHBondContact O-N 3.27Å; I6-Y8 VanDerWaalsContact C-N 3.27Å; I6-Y8 PolarHBondContact O-N 2.94Å; Y8-Y11 PolarHBondContact O-N 3.09Å; Y8-Y12 AromaticContact CD1-CD2 3.58Å; Y8-Y12 HydrophobicContact CD1-CD2 3.58Å; Y8-Y12 AromaticContact CD1-CE2 3.86Å; Y8-Y12 HydrophobicContact CD1-CE2 3.86Å; Y8-Y12 AromaticContact CE1-CD2 3.48Å; Y8-Y12 HydrophobicContact CE1-CD2 3.48Å; Y8-Y12 VanDerWaalsContact CE1-CD2 3.48Å; Y8-Y12 AromaticContact CE1-CE2 3.29Å; Y8-Y12 HydrophobicContact CE1-CE2 3.29Å; Y8-Y12 HydrophobicContact CG-CD2 4.47Å; Y8-Y12 AromaticContact CZ-CE2 3.72Å; Y8-Y12 WeakPolarHBondContact O-CD2 3.35Å; Y8-Y12 PolarHBondContact O-N 3.01Å; Y8-Y12 VanDerWaalsContact O-N 3.09Å |
| 9 | Y | 55.3 | Low | 58.7 | Low | 147 Ų | 147 | 124.1 Ų | 124.1 | 58% | 0.576 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.3 | -37.7 | 175.7 | -91.1 | -95.5 | 0 | 0 | 0 | 112.3 | I6 E7 Y11 I13 | I6-Y9 CarbonylContact O-C 3.55Å; I6-Y9 WeakPolarHBondContact O-CA 3.35Å; I6-Y9 WeakPolarHBondContact O-CB 3.43Å; I6-Y9 PolarHBondContact O-N 3.46Å; E7-Y9 VanDerWaalsContact C-N 3.34Å; Y9-Y11 VanDerWaalsContact C-N 3.33Å; Y9-I13 HydrophobicContact CD1-CD1 3.22Å; Y9-I13 HydrophobicContact CD1-CG1 3.76Å; Y9-I13 HydrophobicContact CE1-CD1 3.38Å; Y9-I13 HydrophobicContact CE1-CG1 4.3Å; Y9-I13 HydrophobicContact CG-CD1 4.39Å; Y9-I13 WeakPolarHBondContact O-CA 3.38Å; Y9-I13 WeakPolarHBondContact O-CB 3.44Å; Y9-I13 PolarHBondContact O-N 2.84Å |
| 10 | V | 56.4 | Low | 60 | Low | 109 Ų | 109 | 122 Ų | 122 | 66% | 0.661 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -37.3 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | I6 E7 | I6-V10 HydrophobicContact CG2-CG2 3.93Å; I6-V10 WeakPolarHBondContact O-CG2 3.47Å; I6-V10 PolarHBondContact O-N 2.81Å; E7-V10 PolarHBondContact O-N 3.07Å |
| 11 | Y | 56.5 | Low | 61.1 | Low | 201 Ų | 201 | 122.7 Ų | 122.7 | 79% | 0.788 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.1 | -35.8 | 179.8 | -138.8 | -88.1 | 0 | 0 | 0 | 113.1 | E7 Y8 Y9 | E7-Y11 PolarHBondContact O-N 3.4Å; Y8-Y11 PolarHBondContact O-N 3.09Å; Y9-Y11 VanDerWaalsContact C-N 3.33Å |
| 12 | Y | 52.7 | Low | 63.2 | Low | 153 Ų | 153 | 115.1 Ų | 115.1 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -103.6 | -23 | -174.3 | -78 | -85.9 | 0 | 0 | 0 | 115.7 | Y8 N14 P15 | Y8-Y12 AromaticContact CD1-CD2 3.58Å; Y8-Y12 HydrophobicContact CD1-CD2 3.58Å; Y8-Y12 AromaticContact CD1-CE2 3.86Å; Y8-Y12 HydrophobicContact CD1-CE2 3.86Å; Y8-Y12 AromaticContact CE1-CD2 3.48Å; Y8-Y12 HydrophobicContact CE1-CD2 3.48Å; Y8-Y12 VanDerWaalsContact CE1-CD2 3.48Å; Y8-Y12 AromaticContact CE1-CE2 3.29Å; Y8-Y12 HydrophobicContact CE1-CE2 3.29Å; Y8-Y12 HydrophobicContact CG-CD2 4.47Å; Y8-Y12 AromaticContact CZ-CE2 3.72Å; Y8-Y12 WeakPolarHBondContact O-CD2 3.35Å; Y8-Y12 PolarHBondContact O-N 3.01Å; Y8-Y12 VanDerWaalsContact O-N 3.09Å; Y12-N14 PolarHBondContact O-N 3.44Å; Y12-P15 WeakPolarHBondContact O-CD 3.39Å |
| 13 | I | 52.2 | Low | 64.9 | Low | 106 Ų | 106 | 116.4 Ų | 116.4 | 54% | 0.544 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -99.4 | 49.1 | 176.3 | -45.9 | -156.2 | 0 | 0 | 0 | 111.3 | Y9 | Y9-I13 HydrophobicContact CD1-CD1 3.22Å; Y9-I13 HydrophobicContact CD1-CG1 3.76Å; Y9-I13 HydrophobicContact CE1-CD1 3.38Å; Y9-I13 HydrophobicContact CE1-CG1 4.3Å; Y9-I13 HydrophobicContact CG-CD1 4.39Å; Y9-I13 WeakPolarHBondContact O-CA 3.38Å; Y9-I13 WeakPolarHBondContact O-CB 3.44Å; Y9-I13 PolarHBondContact O-N 2.84Å |
| 14 | N | 53.8 | Low | 66.4 | Low | 76 Ų | 76 | 115.6 Ų | 115.6 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | -148.3 | 82.8 | 129.9 | -125.4 | -3.1 | 0 | 0 | 0 | 109.5 | Y12 M16 N17 K18 | Y12-N14 PolarHBondContact O-N 3.44Å; N14-M16 PolarHBondContact O-N 3.41Å; N14-M16 VanDerWaalsContact O-N 3.15Å; N14-M16 WeakPolarHBondContact OD1-CB 3.35Å; N14-N17 HydrophobicContact CB-CB 3.91Å; N14-N17 WeakPolarHBondContact O-CA 2.99Å; N14-N17 VanDerWaalsContact O-CB 3.23Å; N14-N17 WeakPolarHBondContact O-CB 3.23Å; N14-N17 PolarHBondContact O-N 3.12Å; N14-K18 PolarHBondContact O-N 3.15Å | |||
| 15 | P | 54.5 | Low | 67.9 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -52.3 | -25.9 | 159.1 | 22.3 | -32.9 | 0 | 0 | 0 | 111.4 | Y12 N17 K18 I19 | Y12-P15 WeakPolarHBondContact O-CD 3.39Å; P15-N17 VanDerWaalsContact C-N 3.3Å; P15-N17 PolarHBondContact O-N 3.33Å; P15-K18 PolarHBondContact O-N 2.9Å; P15-K18 VanDerWaalsContact O-N 3.12Å; P15-I19 PolarHBondContact O-N 3.45Å; P15-I19 VanDerWaalsContact O-N 3.15Å |
| 16 | M | 56.8 | Low | 69.5 | Low | 125 Ų | 125 | 119.6 Ų | 119.6 | 62% | 0.616 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56.3 | -41.2 | 165.9 | -62.4 | -87.6 | -165.4 | 0 | 0 | 111.7 | N14 K18 I19 E20 | N14-M16 PolarHBondContact O-N 3.41Å; N14-M16 VanDerWaalsContact O-N 3.15Å; N14-M16 WeakPolarHBondContact OD1-CB 3.35Å; M16-K18 VanDerWaalsContact C-N 3.33Å; M16-K18 PolarHBondContact O-N 3.35Å; M16-I19 PolarHBondContact O-N 3.17Å; M16-E20 WeakPolarHBondContact O-CB 3.46Å; M16-E20 VanDerWaalsContact O-CG 3.28Å; M16-E20 WeakPolarHBondContact O-CG 3.05Å; M16-E20 PolarHBondContact O-N 3.26Å |
| 17 | N | 65.9 | Low | 71.1 | Confident | 96 Ų | 96 | 118.7 Ų | 118.7 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.5 | -36.2 | 174 | -110.7 | 4.1 | 0 | 0 | 0 | 112.4 | N14 P15 F21 | N14-N17 HydrophobicContact CB-CB 3.91Å; N14-N17 WeakPolarHBondContact O-CA 2.99Å; N14-N17 VanDerWaalsContact O-CB 3.23Å; N14-N17 WeakPolarHBondContact O-CB 3.23Å; N14-N17 PolarHBondContact O-N 3.12Å; P15-N17 VanDerWaalsContact C-N 3.3Å; P15-N17 PolarHBondContact O-N 3.33Å; N17-F21 WeakPolarHBondContact O-CA 3.33Å; N17-F21 WeakPolarHBondContact O-CB 3.41Å; N17-F21 PolarHBondContact O-N 2.75Å |
| 18 | K | 76.6 | Confident | 73 | Confident | 136 Ų | 136 | 116.3 Ų | 116.3 | 59% | 0.591 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 179.2 | -175.4 | 177.7 | 172.8 | -178.2 | 0 | 110.3 | N14 P15 M16 F21 E22 | N14-K18 PolarHBondContact O-N 3.15Å; P15-K18 PolarHBondContact O-N 2.9Å; P15-K18 VanDerWaalsContact O-N 3.12Å; M16-K18 VanDerWaalsContact C-N 3.33Å; M16-K18 PolarHBondContact O-N 3.35Å; K18-F21 PolarHBondContact O-N 3.15Å; K18-E22 WeakPolarHBondContact CE-OE1 3.5Å; K18-E22 IonicContact NZ-OE1 3.91Å; K18-E22 WeakPolarHBondContact O-CB 3.4Å; K18-E22 WeakPolarHBondContact O-CG 3.28Å; K18-E22 PolarHBondContact O-N 3.35Å |
| 19 | I | 84.6 | Confident | 74.9 | Confident | 100 Ų | 100 | 114.7 Ų | 114.7 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 176.5 | -62.5 | 172.6 | 0 | 0 | 0 | 110.3 | P15 M16 F21 E22 Q23 | P15-I19 PolarHBondContact O-N 3.45Å; P15-I19 VanDerWaalsContact O-N 3.15Å; M16-I19 PolarHBondContact O-N 3.17Å; I19-F21 VanDerWaalsContact C-N 3.3Å; I19-F21 PolarHBondContact O-N 2.85Å; I19-E22 PolarHBondContact O-N 3.34Å; I19-Q23 HydrophobicContact CG2-CG 4.47Å; I19-Q23 WeakPolarHBondContact O-CB 3.3Å; I19-Q23 VanDerWaalsContact O-CG 3.27Å; I19-Q23 WeakPolarHBondContact O-CG 3.36Å; I19-Q23 PolarHBondContact O-N 2.91Å |
| 20 | E | 84.5 | Confident | 76.9 | Confident | 82 Ų | 82 | 114.5 Ų | 114.5 | 38% | 0.383 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 176.2 | -73.8 | 177.4 | -154.6 | 0 | 0 | 112.4 | M16 K24 | M16-E20 WeakPolarHBondContact O-CB 3.46Å; M16-E20 VanDerWaalsContact O-CG 3.28Å; M16-E20 WeakPolarHBondContact O-CG 3.05Å; M16-E20 PolarHBondContact O-N 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.38Å; E20-K24 VanDerWaalsContact O-CG 3.3Å; E20-K24 WeakPolarHBondContact O-CG 3.48Å; E20-K24 PolarHBondContact O-N 3.39Å |
| 21 | F | 84.5 | Confident | 78.8 | Confident | 136 Ų | 136 | 113.8 Ų | 113.8 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.4 | -48 | 176.3 | 177.5 | -92.7 | 0 | 0 | 0 | 111.4 | N17 K18 I19 Q23 K24 Q25 | N17-F21 WeakPolarHBondContact O-CA 3.33Å; N17-F21 WeakPolarHBondContact O-CB 3.41Å; N17-F21 PolarHBondContact O-N 2.75Å; K18-F21 PolarHBondContact O-N 3.15Å; I19-F21 VanDerWaalsContact C-N 3.3Å; I19-F21 PolarHBondContact O-N 2.85Å; F21-Q23 VanDerWaalsContact C-N 3.27Å; F21-Q23 PolarHBondContact O-N 2.76Å; F21-K24 PolarHBondContact O-N 2.9Å; F21-Q25 WeakPolarHBondContact O-CB 3.27Å; F21-Q25 PolarHBondContact O-N 3.08Å |
| 22 | E | 91 | Very high | 80.8 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -36.1 | 175.7 | -74.2 | 178.9 | -169.2 | 0 | 0 | 111.7 | K18 I19 K26 | K18-E22 WeakPolarHBondContact CE-OE1 3.5Å; K18-E22 IonicContact NZ-OE1 3.91Å; K18-E22 WeakPolarHBondContact O-CB 3.4Å; K18-E22 WeakPolarHBondContact O-CG 3.28Å; K18-E22 PolarHBondContact O-N 3.35Å; I19-E22 PolarHBondContact O-N 3.34Å; E22-K26 WeakPolarHBondContact O-CG 3.33Å; E22-K26 PolarHBondContact O-N 3.39Å; E22-K26 VanDerWaalsContact O-N 3.08Å |
| 23 | Q | 88.5 | Confident | 82.9 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -49.3 | 173.1 | -75.1 | 173.8 | -12 | 0 | 0 | 111.7 | I19 F21 Q25 K26 E27 | I19-Q23 HydrophobicContact CG2-CG 4.47Å; I19-Q23 WeakPolarHBondContact O-CB 3.3Å; I19-Q23 VanDerWaalsContact O-CG 3.27Å; I19-Q23 WeakPolarHBondContact O-CG 3.36Å; I19-Q23 PolarHBondContact O-N 2.91Å; F21-Q23 VanDerWaalsContact C-N 3.27Å; F21-Q23 PolarHBondContact O-N 2.76Å; Q23-Q25 VanDerWaalsContact C-N 3.29Å; Q23-Q25 PolarHBondContact O-N 2.91Å; Q23-K26 WeakPolarHBondContact O-CB 3.37Å; Q23-K26 PolarHBondContact O-N 2.92Å; Q23-K26 VanDerWaalsContact O-N 3.14Å; Q23-E27 WeakPolarHBondContact O-CG 3.46Å; Q23-E27 PolarHBondContact O-N 3.14Å |
| 24 | K | 90 | Very high | 85.1 | Confident | 118 Ų | 118 | 108.9 Ų | 108.9 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 175.9 | -76.9 | 172.6 | 178.9 | 168.2 | 0 | 112.5 | E20 F21 E27 I28 | E20-K24 WeakPolarHBondContact O-CB 3.38Å; E20-K24 VanDerWaalsContact O-CG 3.3Å; E20-K24 WeakPolarHBondContact O-CG 3.48Å; E20-K24 PolarHBondContact O-N 3.39Å; F21-K24 PolarHBondContact O-N 2.9Å; K24-E27 PolarHBondContact O-N 3.01Å; K24-I28 WeakPolarHBondContact O-CG1 3.42Å; K24-I28 PolarHBondContact O-N 2.88Å |
| 25 | Q | 88.2 | Confident | 87.2 | Confident | 91 Ų | 91 | 108.2 Ų | 108.2 | 43% | 0.425 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 174.9 | -174.8 | 177 | -2.9 | 0 | 0 | 111.1 | F21 Q23 E27 I28 E29 | F21-Q25 WeakPolarHBondContact O-CB 3.27Å; F21-Q25 PolarHBondContact O-N 3.08Å; Q23-Q25 VanDerWaalsContact C-N 3.29Å; Q23-Q25 PolarHBondContact O-N 2.91Å; Q25-E27 VanDerWaalsContact C-N 3.34Å; Q25-E27 PolarHBondContact O-N 3.24Å; Q25-I28 PolarHBondContact O-N 3.45Å; Q25-E29 PolarHBondContact NE2-OE1 3.34Å; Q25-E29 WeakPolarHBondContact O-CG 3.33Å; Q25-E29 PolarHBondContact O-N 3.36Å |
| 26 | K | 94 | Very high | 89.3 | Confident | 135 Ų | 135 | 108.4 Ų | 108.4 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 174.8 | -73.2 | 171 | -179.4 | 172.2 | 0 | 112.6 | E22 Q23 E29 F30 | E22-K26 WeakPolarHBondContact O-CG 3.33Å; E22-K26 PolarHBondContact O-N 3.39Å; E22-K26 VanDerWaalsContact O-N 3.08Å; Q23-K26 WeakPolarHBondContact O-CB 3.37Å; Q23-K26 PolarHBondContact O-N 2.92Å; Q23-K26 VanDerWaalsContact O-N 3.14Å; K26-E29 PolarHBondContact O-N 3.45Å; K26-F30 WeakPolarHBondContact O-CB 3.41Å; K26-F30 PolarHBondContact O-N 2.9Å |
| 27 | E | 95.5 | Very high | 91.2 | Very high | 121 Ų | 121 | 106.2 Ų | 106.2 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 174.3 | -72.4 | 174.7 | -178.9 | 0 | 0 | 111.6 | Q23 K24 Q25 F30 I31 | Q23-E27 WeakPolarHBondContact O-CG 3.46Å; Q23-E27 PolarHBondContact O-N 3.14Å; K24-E27 PolarHBondContact O-N 3.01Å; Q25-E27 VanDerWaalsContact C-N 3.34Å; Q25-E27 PolarHBondContact O-N 3.24Å; E27-F30 PolarHBondContact O-N 2.9Å; E27-I31 VanDerWaalsContact O-CG1 3.29Å; E27-I31 WeakPolarHBondContact O-CG1 3.46Å; E27-I31 PolarHBondContact O-N 2.94Å |
| 28 | I | 94.9 | Very high | 92.7 | Very high | 100 Ų | 100 | 105.6 Ų | 105.6 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 176.6 | -68.5 | 166.8 | 0 | 0 | 0 | 111.1 | K24 Q25 F30 I31 N32 | K24-I28 WeakPolarHBondContact O-CG1 3.42Å; K24-I28 PolarHBondContact O-N 2.88Å; Q25-I28 PolarHBondContact O-N 3.45Å; I28-F30 VanDerWaalsContact C-N 3.31Å; I28-F30 PolarHBondContact O-N 3.24Å; I28-I31 PolarHBondContact O-N 3.42Å; I28-N32 WeakPolarHBondContact O-CB 3.44Å; I28-N32 VanDerWaalsContact O-CG 3.29Å; I28-N32 PolarHBondContact O-N 3.29Å; I28-N32 PolarHBondContact O-ND2 3.37Å |
| 29 | E | 96.9 | Very high | 93.7 | Very high | 102 Ų | 102 | 107.4 Ų | 107.4 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 176.2 | -74.2 | 171.7 | -171.3 | 0 | 0 | 111.5 | Q25 K26 N32 Y33 | Q25-E29 PolarHBondContact NE2-OE1 3.34Å; Q25-E29 WeakPolarHBondContact O-CG 3.33Å; Q25-E29 PolarHBondContact O-N 3.36Å; K26-E29 PolarHBondContact O-N 3.45Å; E29-N32 PolarHBondContact O-N 3.46Å; E29-Y33 WeakPolarHBondContact O-CB 3.29Å; E29-Y33 PolarHBondContact O-N 3.33Å |
| 30 | F | 96.3 | Very high | 94.2 | Very high | 143 Ų | 143 | 107.2 Ų | 107.2 | 63% | 0.627 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 175 | 179.1 | -96.1 | 0 | 0 | 0 | 112.4 | K26 E27 I28 N32 Y33 Y34 | K26-F30 WeakPolarHBondContact O-CB 3.41Å; K26-F30 PolarHBondContact O-N 2.9Å; E27-F30 PolarHBondContact O-N 2.9Å; I28-F30 VanDerWaalsContact C-N 3.31Å; I28-F30 PolarHBondContact O-N 3.24Å; F30-N32 PolarHBondContact O-N 3.48Å; F30-Y33 PolarHBondContact O-N 3.47Å; F30-Y34 PolarHBondContact O-N 3.36Å |
| 31 | I | 97.5 | Very high | 94.8 | Very high | 94 Ų | 94 | 104.9 Ų | 104.9 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 176.5 | -69.3 | 164.3 | 0 | 0 | 0 | 110.7 | E27 I28 Y33 Y34 I35 | E27-I31 VanDerWaalsContact O-CG1 3.29Å; E27-I31 WeakPolarHBondContact O-CG1 3.46Å; E27-I31 PolarHBondContact O-N 2.94Å; I28-I31 PolarHBondContact O-N 3.42Å; I31-Y33 VanDerWaalsContact C-N 3.35Å; I31-Y33 PolarHBondContact O-N 3.05Å; I31-Y34 PolarHBondContact O-N 3.04Å; I31-I35 HydrophobicContact CG2-CD1 3.88Å; I31-I35 HydrophobicContact CG2-CG1 4.46Å; I31-I35 WeakPolarHBondContact O-CG1 3.5Å; I31-I35 PolarHBondContact O-N 3.02Å |
| 32 | N | 98 | Very high | 95.3 | Very high | 83 Ų | 83 | 103.3 Ų | 103.3 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 179.3 | -75.6 | -30 | 0 | 0 | 0 | 112 | I28 E29 F30 Y34 I35 I36 | I28-N32 WeakPolarHBondContact O-CB 3.44Å; I28-N32 VanDerWaalsContact O-CG 3.29Å; I28-N32 PolarHBondContact O-N 3.29Å; I28-N32 PolarHBondContact O-ND2 3.37Å; E29-N32 PolarHBondContact O-N 3.46Å; F30-N32 PolarHBondContact O-N 3.48Å; N32-Y34 VanDerWaalsContact C-N 3.34Å; N32-Y34 PolarHBondContact O-N 3.39Å; N32-I35 PolarHBondContact O-N 3.05Å; N32-I36 WeakPolarHBondContact O-CG1 3.42Å; N32-I36 PolarHBondContact O-N 2.96Å |
| 33 | Y | 97.7 | Very high | 95.6 | Very high | 142 Ų | 142 | 107 Ų | 107 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.4 | -46.7 | 173.1 | 173.9 | -102.5 | 0 | 0 | 0 | 111.6 | E29 F30 I31 I35 I36 L37 | E29-Y33 WeakPolarHBondContact O-CB 3.29Å; E29-Y33 PolarHBondContact O-N 3.33Å; F30-Y33 PolarHBondContact O-N 3.47Å; I31-Y33 VanDerWaalsContact C-N 3.35Å; I31-Y33 PolarHBondContact O-N 3.05Å; Y33-I35 PolarHBondContact O-N 3.47Å; Y33-I36 WeakPolarHBondContact O-CB 3.38Å; Y33-I36 PolarHBondContact O-N 3.2Å; Y33-L37 HydrophobicContact CD1-CD1 4.01Å; Y33-L37 HydrophobicContact CD1-CG 4.48Å; Y33-L37 HydrophobicContact CE1-CD1 3.33Å; Y33-L37 HydrophobicContact CE1-CG 4.05Å; Y33-L37 HydrophobicContact CE2-CD1 4.39Å; Y33-L37 HydrophobicContact CE2-CD2 4.41Å; Y33-L37 HydrophobicContact CE2-CG 4.33Å; Y33-L37 PolarHBondContact O-N 3.19Å |
| 34 | Y | 97.4 | Very high | 95.9 | Very high | 133 Ų | 133 | 110.2 Ų | 110.2 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 178.7 | -168.6 | -108.2 | 0 | 0 | 0 | 112.8 | F30 I31 N32 I36 L37 L38 | F30-Y34 PolarHBondContact O-N 3.36Å; I31-Y34 PolarHBondContact O-N 3.04Å; N32-Y34 VanDerWaalsContact C-N 3.34Å; N32-Y34 PolarHBondContact O-N 3.39Å; Y34-I36 VanDerWaalsContact C-N 3.31Å; Y34-I36 PolarHBondContact O-N 3.42Å; Y34-L37 PolarHBondContact O-N 3.06Å; Y34-L38 HydrophobicContact CD1-CD1 3.67Å; Y34-L38 HydrophobicContact CD1-CG 4.13Å; Y34-L38 HydrophobicContact CE1-CD1 3.44Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.44Å; Y34-L38 HydrophobicContact CE1-CD2 4.24Å; Y34-L38 HydrophobicContact CE1-CG 3.86Å; Y34-L38 WeakPolarHBondContact O-CG 3.34Å; Y34-L38 PolarHBondContact O-N 3.27Å |
| 35 | I | 98.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 110.1 Ų | 110.1 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 174.2 | -69.8 | 168.4 | 0 | 0 | 0 | 111.2 | I31 N32 Y33 L38 R39 | I31-I35 HydrophobicContact CG2-CD1 3.88Å; I31-I35 HydrophobicContact CG2-CG1 4.46Å; I31-I35 WeakPolarHBondContact O-CG1 3.5Å; I31-I35 PolarHBondContact O-N 3.02Å; N32-I35 PolarHBondContact O-N 3.05Å; Y33-I35 PolarHBondContact O-N 3.47Å; I35-L38 PolarHBondContact O-N 3.32Å; I35-R39 HydrophobicContact CG2-CG 4.44Å; I35-R39 WeakPolarHBondContact O-CB 3.48Å; I35-R39 VanDerWaalsContact O-CG 3.29Å; I35-R39 WeakPolarHBondContact O-CG 3.3Å; I35-R39 PolarHBondContact O-N 3.48Å |
| 36 | I | 97.8 | Very high | 96.4 | Very high | 92 Ų | 92 | 109.4 Ų | 109.4 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 177.3 | -68.5 | 164.9 | 0 | 0 | 0 | 110.6 | N32 Y33 Y34 L38 R39 N40 | N32-I36 WeakPolarHBondContact O-CG1 3.42Å; N32-I36 PolarHBondContact O-N 2.96Å; Y33-I36 WeakPolarHBondContact O-CB 3.38Å; Y33-I36 PolarHBondContact O-N 3.2Å; Y34-I36 VanDerWaalsContact C-N 3.31Å; Y34-I36 PolarHBondContact O-N 3.42Å; I36-L38 PolarHBondContact O-N 3.45Å; I36-R39 PolarHBondContact O-N 2.95Å; I36-N40 PolarHBondContact O-N 2.92Å; I36-N40 PolarHBondContact O-ND2 3.31Å |
| 37 | L | 96.8 | Very high | 96.3 | Very high | 79 Ų | 79 | 105 Ų | 105 | 41% | 0.414 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 176.3 | -70.2 | -176.3 | 0 | 0 | 0 | 112 | Y33 Y34 R39 N40 G41 | Y33-L37 HydrophobicContact CD1-CD1 4.01Å; Y33-L37 HydrophobicContact CD1-CG 4.48Å; Y33-L37 HydrophobicContact CE1-CD1 3.33Å; Y33-L37 HydrophobicContact CE1-CG 4.05Å; Y33-L37 HydrophobicContact CE2-CD1 4.39Å; Y33-L37 HydrophobicContact CE2-CD2 4.41Å; Y33-L37 HydrophobicContact CE2-CG 4.33Å; Y33-L37 PolarHBondContact O-N 3.19Å; Y34-L37 PolarHBondContact O-N 3.06Å; L37-R39 PolarHBondContact O-N 3.42Å; L37-N40 PolarHBondContact O-N 2.88Å; L37-G41 PolarHBondContact O-N 3.47Å |
| 38 | L | 97.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.8 | -75.6 | 175.3 | 0 | 0 | 0 | 112.1 | Y34 I35 I36 N40 G41 I42 | Y34-L38 HydrophobicContact CD1-CD1 3.67Å; Y34-L38 HydrophobicContact CD1-CG 4.13Å; Y34-L38 HydrophobicContact CE1-CD1 3.44Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.44Å; Y34-L38 HydrophobicContact CE1-CD2 4.24Å; Y34-L38 HydrophobicContact CE1-CG 3.86Å; Y34-L38 WeakPolarHBondContact O-CG 3.34Å; Y34-L38 PolarHBondContact O-N 3.27Å; I35-L38 PolarHBondContact O-N 3.32Å; I36-L38 PolarHBondContact O-N 3.45Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.01Å; L38-G41 PolarHBondContact O-N 2.9Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.29Å; L38-I42 PolarHBondContact O-N 2.96Å |
| 39 | R | 97.6 | Very high | 96.1 | Very high | 174 Ų | 174 | 104.7 Ų | 104.7 | 66% | 0.657 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | 178.1 | -74.8 | 173.1 | 178.2 | -179.9 | 1.6 | 111.8 | I35 I36 L37 K43 | I35-R39 HydrophobicContact CG2-CG 4.44Å; I35-R39 WeakPolarHBondContact O-CB 3.48Å; I35-R39 VanDerWaalsContact O-CG 3.29Å; I35-R39 WeakPolarHBondContact O-CG 3.3Å; I35-R39 PolarHBondContact O-N 3.48Å; I36-R39 PolarHBondContact O-N 2.95Å; L37-R39 PolarHBondContact O-N 3.42Å; R39-K43 PolarHBondContact O-N 3.26Å |
| 40 | N | 96.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.8 | -71.9 | -23 | 0 | 0 | 0 | 111.9 | I36 L37 L38 K43 Y44 | I36-N40 PolarHBondContact O-N 2.92Å; I36-N40 PolarHBondContact O-ND2 3.31Å; L37-N40 PolarHBondContact O-N 2.88Å; L38-N40 VanDerWaalsContact C-N 3.34Å; L38-N40 PolarHBondContact O-N 3.01Å; N40-K43 PolarHBondContact O-N 3.34Å; N40-Y44 PolarHBondContact O-N 3.43Å |
| 41 | G | 95.8 | Very high | 95.5 | Very high | 32 Ų | 32 | 104.9 Ų | 104.9 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L37 L38 K43 Y44 L45 | L37-G41 PolarHBondContact O-N 3.47Å; L38-G41 PolarHBondContact O-N 2.9Å; G41-K43 VanDerWaalsContact C-N 3.34Å; G41-K43 PolarHBondContact O-N 3.46Å; G41-Y44 PolarHBondContact O-N 3.39Å; G41-L45 WeakPolarHBondContact O-CG 3.41Å; G41-L45 PolarHBondContact O-N 3.44Å |
| 42 | I | 97 | Very high | 95.1 | Very high | 104 Ų | 104 | 104.3 Ų | 104.3 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 177 | -67.6 | 165.2 | 0 | 0 | 0 | 111 | L38 Y44 L45 T46 | L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.29Å; L38-I42 PolarHBondContact O-N 2.96Å; I42-Y44 PolarHBondContact O-N 2.99Å; I42-L45 PolarHBondContact O-N 2.92Å; I42-T46 HydrophobicContact CG2-CG2 4.27Å; I42-T46 WeakPolarHBondContact O-CB 3.44Å; I42-T46 WeakPolarHBondContact O-CG2 3.47Å; I42-T46 PolarHBondContact O-N 2.96Å; I42-T46 PolarHBondContact O-OG1 2.78Å |
| 43 | K | 95.3 | Very high | 94.6 | Very high | 159 Ų | 159 | 106.7 Ų | 106.7 | 69% | 0.691 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -42.6 | 176.8 | -174.8 | -180 | 177.6 | -177.1 | 0 | 112.3 | R39 N40 G41 T46 G47 | R39-K43 PolarHBondContact O-N 3.26Å; N40-K43 PolarHBondContact O-N 3.34Å; G41-K43 VanDerWaalsContact C-N 3.34Å; G41-K43 PolarHBondContact O-N 3.46Å; K43-T46 WeakPolarHBondContact CA-OG1 3.42Å; K43-T46 PolarHBondContact O-OG1 3.36Å; K43-G47 PolarHBondContact O-N 2.8Å |
| 44 | Y | 95.5 | Very high | 94 | Very high | 171 Ų | 171 | 103.1 Ų | 103.1 | 67% | 0.671 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.1 | -46.1 | 177.1 | 177.1 | -97.4 | 0 | 0 | 0 | 111.9 | N40 G41 I42 G47 T48 | N40-Y44 PolarHBondContact O-N 3.43Å; G41-Y44 PolarHBondContact O-N 3.39Å; I42-Y44 PolarHBondContact O-N 2.99Å; Y44-G47 PolarHBondContact O-N 3.48Å; Y44-T48 WeakPolarHBondContact O-CB 3.34Å; Y44-T48 PolarHBondContact O-N 3.27Å; Y44-T48 PolarHBondContact O-OG1 3.06Å |
| 45 | L | 95.1 | Very high | 93.4 | Very high | 117 Ų | 117 | 98.1 Ų | 98.1 | 61% | 0.613 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.9 | -45.3 | 179.8 | -70.4 | 172.8 | 0 | 0 | 0 | 112.1 | G41 I42 T48 Y49 | G41-L45 WeakPolarHBondContact O-CG 3.41Å; G41-L45 PolarHBondContact O-N 3.44Å; I42-L45 PolarHBondContact O-N 2.92Å; L45-T48 PolarHBondContact O-N 2.98Å; L45-Y49 WeakPolarHBondContact O-CB 3.34Å; L45-Y49 PolarHBondContact O-N 2.99Å |
| 46 | T | 93.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177.8 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | I42 K43 T48 Y49 T50 | I42-T46 HydrophobicContact CG2-CG2 4.27Å; I42-T46 WeakPolarHBondContact O-CB 3.44Å; I42-T46 WeakPolarHBondContact O-CG2 3.47Å; I42-T46 PolarHBondContact O-N 2.96Å; I42-T46 PolarHBondContact O-OG1 2.78Å; K43-T46 WeakPolarHBondContact CA-OG1 3.42Å; K43-T46 PolarHBondContact O-OG1 3.36Å; T46-T48 VanDerWaalsContact C-N 3.35Å; T46-T48 PolarHBondContact O-N 3.28Å; T46-Y49 PolarHBondContact O-N 2.97Å; T46-T50 PolarHBondContact O-N 3.02Å; T46-T50 PolarHBondContact O-OG1 2.73Å; T46-T50 VanDerWaalsContact O-OG1 3.08Å |
| 47 | G | 92.1 | Very high | 92.1 | Very high | 42 Ų | 42 | 100.6 Ų | 100.6 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K43 Y44 Y51 | K43-G47 PolarHBondContact O-N 2.8Å; Y44-G47 PolarHBondContact O-N 3.48Å; G47-Y51 WeakPolarHBondContact O-CB 3.31Å; G47-Y51 PolarHBondContact O-N 2.85Å |
| 48 | T | 93.2 | Very high | 91.4 | Very high | 50 Ų | 50 | 100.5 Ų | 100.5 | 31% | 0.307 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 178 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | Y44 L45 T46 Y51 I52 | Y44-T48 WeakPolarHBondContact O-CB 3.34Å; Y44-T48 PolarHBondContact O-N 3.27Å; Y44-T48 PolarHBondContact O-OG1 3.06Å; L45-T48 PolarHBondContact O-N 2.98Å; T46-T48 VanDerWaalsContact C-N 3.35Å; T46-T48 PolarHBondContact O-N 3.28Å; T48-Y51 PolarHBondContact O-N 3.44Å; T48-I52 HydrophobicContact CG2-CD1 3.99Å; T48-I52 WeakPolarHBondContact O-CG1 3.35Å; T48-I52 PolarHBondContact O-N 3.33Å |
| 49 | Y | 91.9 | Very high | 90.7 | Very high | 166 Ų | 166 | 102 Ų | 102 | 65% | 0.651 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 177.1 | -179.5 | -99 | 0 | 0 | 0 | 111.6 | L45 T46 Y51 I52 Y53 | L45-Y49 WeakPolarHBondContact O-CB 3.34Å; L45-Y49 PolarHBondContact O-N 2.99Å; T46-Y49 PolarHBondContact O-N 2.97Å; Y49-Y51 VanDerWaalsContact C-N 3.34Å; Y49-Y51 PolarHBondContact O-N 3.33Å; Y49-I52 PolarHBondContact O-N 2.93Å; Y49-Y53 WeakPolarHBondContact O-CB 3.36Å; Y49-Y53 PolarHBondContact O-N 3.5Å |
| 50 | T | 90.9 | Very high | 89.8 | Confident | 81 Ų | 81 | 95.7 Ų | 95.7 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | T46 I52 Y53 V54 | T46-T50 PolarHBondContact O-N 3.02Å; T46-T50 PolarHBondContact O-OG1 2.73Å; T46-T50 VanDerWaalsContact O-OG1 3.08Å; T50-I52 PolarHBondContact O-N 2.93Å; T50-Y53 PolarHBondContact O-N 3.08Å; T50-V54 HydrophobicContact CG2-CG2 4.27Å; T50-V54 WeakPolarHBondContact O-CB 3.49Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.33Å; T50-V54 PolarHBondContact O-N 3.37Å |
| 51 | Y | 90.6 | Very high | 88.8 | Confident | 168 Ų | 168 | 97.4 Ų | 97.4 | 66% | 0.659 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.5 | -47.2 | 177.1 | 177.2 | -96.2 | 0 | 0 | 0 | 112.3 | G47 T48 Y49 S55 | G47-Y51 WeakPolarHBondContact O-CB 3.31Å; G47-Y51 PolarHBondContact O-N 2.85Å; T48-Y51 PolarHBondContact O-N 3.44Å; Y49-Y51 VanDerWaalsContact C-N 3.34Å; Y49-Y51 PolarHBondContact O-N 3.33Å; Y51-S55 WeakPolarHBondContact O-CB 3.36Å; Y51-S55 PolarHBondContact O-N 3.48Å; Y51-S55 PolarHBondContact O-OG 2.93Å |
| 52 | I | 89.8 | Confident | 87.8 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 178 | -68.5 | 167.3 | 0 | 0 | 0 | 110.6 | T48 Y49 T50 S55 H56 | T48-I52 HydrophobicContact CG2-CD1 3.99Å; T48-I52 WeakPolarHBondContact O-CG1 3.35Å; T48-I52 PolarHBondContact O-N 3.33Å; Y49-I52 PolarHBondContact O-N 2.93Å; T50-I52 PolarHBondContact O-N 2.93Å; I52-S55 PolarHBondContact O-N 3.36Å; I52-H56 PolarHBondContact O-CD2 3.17Å; I52-H56 PolarHBondContact O-N 2.99Å |
| 53 | Y | 87.6 | Confident | 86.8 | Confident | 133 Ų | 133 | 101 Ų | 101 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | -179.9 | -177.9 | -104.9 | 0 | 0 | 0 | 112.3 | Y49 T50 H56 L57 | Y49-Y53 WeakPolarHBondContact O-CB 3.36Å; Y49-Y53 PolarHBondContact O-N 3.5Å; T50-Y53 PolarHBondContact O-N 3.08Å; Y53-H56 PolarHBondContact O-N 2.86Å; Y53-L57 HydrophobicContact CD1-CD1 4.01Å; Y53-L57 HydrophobicContact CE1-CD1 3.49Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.49Å; Y53-L57 HydrophobicContact CE1-CG 4.29Å; Y53-L57 WeakPolarHBondContact O-CG 3.26Å; Y53-L57 PolarHBondContact O-N 2.9Å; Y53-L57 VanDerWaalsContact O-N 3.1Å |
| 54 | V | 84.8 | Confident | 85.8 | Confident | 66 Ų | 66 | 99 Ų | 99 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111 | T50 H56 L57 D58 | T50-V54 HydrophobicContact CG2-CG2 4.27Å; T50-V54 WeakPolarHBondContact O-CB 3.49Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.33Å; T50-V54 PolarHBondContact O-N 3.37Å; V54-H56 VanDerWaalsContact C-N 3.31Å; V54-H56 PolarHBondContact O-N 3.41Å; V54-L57 PolarHBondContact O-N 3.38Å; V54-L57 VanDerWaalsContact O-N 3.14Å; V54-D58 PolarHBondContact O-N 2.91Å |
| 55 | S | 85.2 | Confident | 84.7 | Confident | 28 Ų | 28 | 97.1 Ų | 97.1 | 20% | 0.196 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | Y51 I52 D58 E59 | Y51-S55 WeakPolarHBondContact O-CB 3.36Å; Y51-S55 PolarHBondContact O-N 3.48Å; Y51-S55 PolarHBondContact O-OG 2.93Å; I52-S55 PolarHBondContact O-N 3.36Å; S55-D58 PolarHBondContact O-N 3.14Å; S55-E59 WeakPolarHBondContact O-CB 3.24Å; S55-E59 VanDerWaalsContact O-CG 3.26Å; S55-E59 WeakPolarHBondContact O-CG 3.41Å; S55-E59 PolarHBondContact O-N 3.35Å |
| 56 | H | 83 | Confident | 83.7 | Confident | 119 Ų | 119 | 98.7 Ų | 98.7 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68 | -34.4 | 175.9 | -76.1 | -51.9 | 0 | 0 | 0 | 113.6 | I52 Y53 V54 E59 G60 | I52-H56 PolarHBondContact O-CD2 3.17Å; I52-H56 PolarHBondContact O-N 2.99Å; Y53-H56 PolarHBondContact O-N 2.86Å; V54-H56 VanDerWaalsContact C-N 3.31Å; V54-H56 PolarHBondContact O-N 3.41Å; H56-E59 IonicContact ND1-OE2 3.69Å; H56-G60 PolarHBondContact O-N 2.94Å |
| 57 | L | 83.7 | Confident | 82.5 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 173.3 | -69.5 | 178 | 0 | 0 | 0 | 111 | Y53 V54 G60 M61 | Y53-L57 HydrophobicContact CD1-CD1 4.01Å; Y53-L57 HydrophobicContact CE1-CD1 3.49Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.49Å; Y53-L57 HydrophobicContact CE1-CG 4.29Å; Y53-L57 WeakPolarHBondContact O-CG 3.26Å; Y53-L57 PolarHBondContact O-N 2.9Å; Y53-L57 VanDerWaalsContact O-N 3.1Å; V54-L57 PolarHBondContact O-N 3.38Å; V54-L57 VanDerWaalsContact O-N 3.14Å; L57-G60 PolarHBondContact O-N 3.43Å; L57-M61 WeakPolarHBondContact O-CG 3.31Å; L57-M61 PolarHBondContact O-N 2.87Å |
| 58 | D | 84 | Confident | 81.5 | Confident | 77 Ų | 77 | 111.6 Ų | 111.6 | 41% | 0.412 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.8 | -73.8 | -17.9 | 0 | 0 | 0 | 111.9 | V54 S55 M61 K62 | V54-D58 PolarHBondContact O-N 2.91Å; S55-D58 PolarHBondContact O-N 3.14Å; D58-M61 PolarHBondContact O-N 3.1Å; D58-K62 WeakPolarHBondContact O-CB 3.36Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.47Å; D58-K62 PolarHBondContact O-N 3.37Å |
| 59 | E | 80.7 | Confident | 80.2 | Confident | 115 Ų | 115 | 118.5 Ų | 118.5 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -40.3 | 172.7 | -75.5 | 174.4 | -178.6 | 0 | 0 | 111.8 | S55 H56 K62 S63 | S55-E59 WeakPolarHBondContact O-CB 3.24Å; S55-E59 VanDerWaalsContact O-CG 3.26Å; S55-E59 WeakPolarHBondContact O-CG 3.41Å; S55-E59 PolarHBondContact O-N 3.35Å; H56-E59 IonicContact ND1-OE2 3.69Å; E59-K62 PolarHBondContact O-N 3.01Å; E59-S63 VanDerWaalsContact O-CB 3.27Å; E59-S63 WeakPolarHBondContact O-CB 3.27Å; E59-S63 PolarHBondContact O-N 2.87Å |
| 60 | G | 79.6 | Confident | 79.6 | Confident | 40 Ų | 40 | 116.1 Ų | 116.1 | 41% | 0.412 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.6 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H56 L57 N64 | H56-G60 PolarHBondContact O-N 2.94Å; L57-G60 PolarHBondContact O-N 3.43Å; G60-N64 VanDerWaalsContact O-CB 3.31Å; G60-N64 WeakPolarHBondContact O-CB 3.37Å; G60-N64 PolarHBondContact O-N 3.4Å |
| 61 | M | 75.7 | Confident | 79 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.3 | -46.6 | 174.9 | -72.4 | -176.8 | 69 | 0 | 0 | 111.8 | L57 D58 S63 N64 E65 | L57-M61 WeakPolarHBondContact O-CG 3.31Å; L57-M61 PolarHBondContact O-N 2.87Å; D58-M61 PolarHBondContact O-N 3.1Å; M61-S63 PolarHBondContact O-N 3.26Å; M61-N64 PolarHBondContact O-N 3.45Å; M61-E65 WeakPolarHBondContact O-CB 3.42Å; M61-E65 PolarHBondContact O-N 2.86Å |
| 62 | K | 75 | Confident | 78.4 | Confident | 134 Ų | 134 | 115.2 Ų | 115.2 | 58% | 0.583 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61 | -41.7 | 177.2 | -74.6 | 169.9 | -177.5 | 171.6 | 0 | 112.5 | D58 E59 E65 M66 | D58-K62 WeakPolarHBondContact O-CB 3.36Å; D58-K62 VanDerWaalsContact O-CG 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.47Å; D58-K62 PolarHBondContact O-N 3.37Å; E59-K62 PolarHBondContact O-N 3.01Å; K62-E65 PolarHBondContact O-N 3.25Å; K62-M66 PolarHBondContact O-N 2.89Å |
| 63 | S | 75.3 | Confident | 77.7 | Confident | 78 Ų | 78 | 117.1 Ų | 117.1 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | E59 M61 M66 M67 | E59-S63 VanDerWaalsContact O-CB 3.27Å; E59-S63 WeakPolarHBondContact O-CB 3.27Å; E59-S63 PolarHBondContact O-N 2.87Å; M61-S63 PolarHBondContact O-N 3.26Å; S63-M66 PolarHBondContact O-N 3.25Å; S63-M67 PolarHBondContact O-N 2.99Å |
| 64 | N | 74 | Confident | 77.1 | Confident | 116 Ų | 116 | 116.1 Ų | 116.1 | 62% | 0.62 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.2 | -32.6 | 178 | -157.2 | 32.9 | 0 | 0 | 0 | 112.5 | G60 M61 R68 | G60-N64 VanDerWaalsContact O-CB 3.31Å; G60-N64 WeakPolarHBondContact O-CB 3.37Å; G60-N64 PolarHBondContact O-N 3.4Å; M61-N64 PolarHBondContact O-N 3.45Å; N64-R68 PolarHBondContact O-N 3.23Å |
| 65 | E | 73.1 | Confident | 76.6 | Confident | 132 Ų | 132 | 119.5 Ų | 119.5 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71 | -41.2 | 173.6 | -168 | 170.6 | -163.8 | 0 | 0 | 111.7 | M61 K62 M67 R68 L69 | M61-E65 WeakPolarHBondContact O-CB 3.42Å; M61-E65 PolarHBondContact O-N 2.86Å; K62-E65 PolarHBondContact O-N 3.25Å; E65-M67 VanDerWaalsContact C-N 3.32Å; E65-M67 PolarHBondContact O-N 3.12Å; E65-R68 PolarHBondContact O-N 3.44Å; E65-R68 VanDerWaalsContact O-N 3.12Å; E65-L69 PolarHBondContact O-N 3.42Å |
| 66 | M | 73.3 | Confident | 76 | Confident | 149 Ų | 149 | 126 Ų | 126 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.9 | -34.3 | 171.7 | -83.8 | -177 | -174.1 | 0 | 0 | 113 | K62 S63 R68 | K62-M66 PolarHBondContact O-N 2.89Å; S63-M66 PolarHBondContact O-N 3.25Å; M66-R68 VanDerWaalsContact C-N 3.25Å; M66-R68 PolarHBondContact O-N 3.47Å |
| 67 | M | 69 | Low | 75.4 | Confident | 159 Ų | 159 | 126.5 Ų | 126.5 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.6 | -21.2 | 175 | -176.1 | 169.7 | -79.1 | 0 | 0 | 112.7 | S63 E65 | S63-M67 PolarHBondContact O-N 2.99Å; E65-M67 VanDerWaalsContact C-N 3.32Å; E65-M67 PolarHBondContact O-N 3.12Å |
| 68 | R | 71.3 | Confident | 74.7 | Confident | 229 Ų | 229 | 129.8 Ų | 129.8 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -85.4 | -21.8 | 177.9 | -172.3 | 174.9 | 175.6 | -172.4 | -1.9 | 113 | N64 E65 M66 | N64-R68 PolarHBondContact O-N 3.23Å; E65-R68 PolarHBondContact O-N 3.44Å; E65-R68 VanDerWaalsContact O-N 3.12Å; M66-R68 VanDerWaalsContact C-N 3.25Å; M66-R68 PolarHBondContact O-N 3.47Å |
| 69 | L | 66 | Low | 73.9 | Confident | 195 Ų | 195 | 134.6 Ų | 134.6 | 100% | 1.021 | 67% | 0.671 | S | S | * | * | trans | -84.7 | 0 | 175.9 | -68.4 | 173.6 | 0 | 0 | 0 | 111.4 | E65 | E65-L69 PolarHBondContact O-N 3.42Š|
Retrieved 69 of 69 residues in 14.9 ms
(Link to these results)