| 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 | 50.7 | Low | 62.9 | Low | 212 Ų | 212 | 154.6 Ų | 154.6 | 100% | 1.044 | 67% | 0.673 | S | S | * | * | 0 | 12.3 | 0 | -72.8 | -124.2 | -97.9 | 0 | 0 | 113.2 | |||||
| 2 | E | 54.1 | Low | 64.7 | Low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.1 | -25.6 | -174.1 | -72.3 | 154.8 | 120.4 | 0 | 0 | 114.9 | R4 H5 | E2-R4 VanDerWaalsContact C-N 3.34Å; E2-R4 PolarHBondContact O-N 2.86Å; E2-H5 PolarHBondContact O-N 3.11Å |
| 3 | Q | 56.7 | Low | 66.2 | Low | 164 Ų | 164 | 144 Ų | 144 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72 | -26.4 | -176.4 | -62.5 | -79.9 | 58.1 | 0 | 0 | 113.4 | R7 | Q3-R7 PolarHBondContact O-N 2.87Å |
| 4 | R | 58.4 | Low | 67.6 | Low | 211 Ų | 211 | 143.2 Ų | 143.2 | 80% | 0.796 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.9 | -37 | 178.8 | -79.2 | -176.8 | 169.1 | 171 | -3.9 | 111.5 | E2 F8 | E2-R4 VanDerWaalsContact C-N 3.34Å; E2-R4 PolarHBondContact O-N 2.86Å; R4-F8 WeakPolarHBondContact O-CB 3.4Å; R4-F8 PolarHBondContact O-N 3.02Å |
| 5 | H | 59.8 | Low | 68.9 | Low | 121 Ų | 121 | 141.5 Ų | 141.5 | 56% | 0.56 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.4 | -46.3 | -178.8 | -157.5 | 129.9 | 0 | 0 | 0 | 110.7 | E2 R7 F8 Q9 | E2-H5 PolarHBondContact O-N 3.11Å; H5-R7 PolarHBondContact O-N 3.46Å; H5-F8 PolarHBondContact O-N 3.42Å; H5-Q9 PolarHBondContact CD2-NE2 3.32Å; H5-Q9 PolarHBondContact NE2-NE2 2.97Å; H5-Q9 WeakPolarHBondContact O-CB 3.33Å; H5-Q9 WeakPolarHBondContact O-CG 3.35Å; H5-Q9 PolarHBondContact O-N 3.01Å |
| 6 | H | 60.6 | Low | 70 | Confident | 103 Ų | 103 | 139.6 Ų | 139.6 | 48% | 0.477 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.6 | -41.1 | -179.8 | -174.1 | 44.6 | 0 | 0 | 0 | 112.8 | F8 R10 | H6-F8 VanDerWaalsContact C-N 3.34Å; H6-F8 PolarHBondContact O-N 2.91Å; H6-R10 WeakPolarHBondContact O-CG 3.42Å; H6-R10 PolarHBondContact O-N 2.74Å; H6-R10 VanDerWaalsContact O-N 3.13Å |
| 7 | R | 60.4 | Low | 70.8 | Confident | 179 Ų | 179 | 137.3 Ų | 137.3 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68 | -34.8 | 177.1 | -165.2 | 177.4 | -176.1 | -167.4 | 1.5 | 112.2 | Q3 H5 K11 | Q3-R7 PolarHBondContact O-N 2.87Å; H5-R7 PolarHBondContact O-N 3.46Å; R7-K11 WeakPolarHBondContact O-CG 3.44Å; R7-K11 PolarHBondContact O-N 3Å |
| 8 | F | 63.8 | Low | 71.6 | Confident | 142 Ų | 142 | 134.2 Ų | 134.2 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.3 | -46.4 | 176.3 | -174.4 | -104.2 | 0 | 0 | 0 | 111.4 | R4 H5 H6 R10 K11 T12 | R4-F8 WeakPolarHBondContact O-CB 3.4Å; R4-F8 PolarHBondContact O-N 3.02Å; H5-F8 PolarHBondContact O-N 3.42Å; H6-F8 VanDerWaalsContact C-N 3.34Å; H6-F8 PolarHBondContact O-N 2.91Å; F8-R10 VanDerWaalsContact C-N 3.31Å; F8-R10 PolarHBondContact O-N 3.32Å; F8-K11 PolarHBondContact O-N 3.31Å; F8-K11 VanDerWaalsContact O-N 3.14Å; F8-T12 PolarHBondContact O-N 3.15Å; F8-T12 PolarHBondContact O-OG1 2.94Å; F8-T12 VanDerWaalsContact O-OG1 3.1Å |
| 9 | Q | 71.8 | Confident | 72.3 | Confident | 100 Ų | 100 | 135.9 Ų | 135.9 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -55.5 | -43.7 | 174.6 | -78.1 | 175.6 | -11 | 0 | 0 | 112.5 | H5 K11 T12 L13 | H5-Q9 PolarHBondContact CD2-NE2 3.32Å; H5-Q9 PolarHBondContact NE2-NE2 2.97Å; H5-Q9 WeakPolarHBondContact O-CB 3.33Å; H5-Q9 WeakPolarHBondContact O-CG 3.35Å; H5-Q9 PolarHBondContact O-N 3.01Å; Q9-K11 PolarHBondContact O-N 2.9Å; Q9-T12 PolarHBondContact O-N 3.31Å; Q9-L13 WeakPolarHBondContact O-CB 3.29Å; Q9-L13 PolarHBondContact O-N 3.43Å |
| 10 | R | 76.1 | Confident | 72.8 | Confident | 174 Ų | 174 | 131.9 Ų | 131.9 | 66% | 0.657 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.7 | -37.8 | 178.9 | -71.7 | -178.2 | 69.7 | -178.9 | 2.3 | 112.9 | H6 F8 K14 | H6-R10 WeakPolarHBondContact O-CG 3.42Å; H6-R10 PolarHBondContact O-N 2.74Å; H6-R10 VanDerWaalsContact O-N 3.13Å; F8-R10 VanDerWaalsContact C-N 3.31Å; F8-R10 PolarHBondContact O-N 3.32Å; R10-K14 VanDerWaalsContact O-CB 3.3Å; R10-K14 WeakPolarHBondContact O-CB 3.28Å; R10-K14 PolarHBondContact O-N 3.5Å |
| 11 | K | 79.2 | Confident | 73.1 | Confident | 126 Ų | 126 | 131.1 Ų | 131.1 | 55% | 0.548 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.4 | -44.6 | 176.7 | -72.6 | -177 | 176.7 | -169.1 | 0 | 111.3 | R7 F8 Q9 K14 L15 | R7-K11 WeakPolarHBondContact O-CG 3.44Å; R7-K11 PolarHBondContact O-N 3Å; F8-K11 PolarHBondContact O-N 3.31Å; F8-K11 VanDerWaalsContact O-N 3.14Å; Q9-K11 PolarHBondContact O-N 2.9Å; K11-K14 PolarHBondContact O-N 3.2Å; K11-L15 WeakPolarHBondContact O-CG 3.42Å; K11-L15 PolarHBondContact O-N 2.92Å |
| 12 | T | 85.4 | Confident | 74.5 | Confident | 53 Ų | 53 | 128.3 Ų | 128.3 | 33% | 0.325 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -46.3 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | F8 Q9 K14 L15 L16 | F8-T12 PolarHBondContact O-N 3.15Å; F8-T12 PolarHBondContact O-OG1 2.94Å; F8-T12 VanDerWaalsContact O-OG1 3.1Å; Q9-T12 PolarHBondContact O-N 3.31Å; T12-K14 VanDerWaalsContact C-N 3.31Å; T12-K14 PolarHBondContact O-N 3.04Å; T12-L15 PolarHBondContact O-N 3.43Å; T12-L16 HydrophobicContact CG2-CD1 4.06Å; T12-L16 HydrophobicContact CG2-CG 4.42Å; T12-L16 WeakPolarHBondContact O-CG 3.45Å; T12-L16 PolarHBondContact O-N 3.04Å |
| 13 | L | 83.5 | Confident | 75.3 | Confident | 118 Ų | 118 | 125.6 Ų | 125.6 | 62% | 0.618 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.5 | -41.9 | 175.7 | -178.2 | 62.3 | 0 | 0 | 0 | 111.6 | Q9 L15 L16 L17 | Q9-L13 WeakPolarHBondContact O-CB 3.29Å; Q9-L13 PolarHBondContact O-N 3.43Å; L13-L15 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3Å; L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 3.39Å |
| 14 | K | 86.3 | Confident | 75.6 | Confident | 133 Ų | 133 | 120.8 Ų | 120.8 | 58% | 0.578 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.4 | -45.4 | 175.9 | -173 | -178.7 | 179.6 | -177.6 | 0 | 111.8 | R10 K11 T12 L17 Q18 | R10-K14 VanDerWaalsContact O-CB 3.3Å; R10-K14 WeakPolarHBondContact O-CB 3.28Å; R10-K14 PolarHBondContact O-N 3.5Å; K11-K14 PolarHBondContact O-N 3.2Å; T12-K14 VanDerWaalsContact C-N 3.31Å; T12-K14 PolarHBondContact O-N 3.04Å; K14-L17 PolarHBondContact O-N 3.49Å; K14-Q18 WeakPolarHBondContact O-CB 3.3Å; K14-Q18 VanDerWaalsContact O-CG 3.28Å; K14-Q18 WeakPolarHBondContact O-CG 3.48Å; K14-Q18 PolarHBondContact O-N 3.33Å |
| 15 | L | 87.2 | Confident | 75.5 | Confident | 117 Ų | 117 | 116.4 Ų | 116.4 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.1 | -42.8 | 179.1 | -72.5 | 169.3 | 0 | 0 | 0 | 112.1 | K11 T12 L13 Q18 R19 | K11-L15 WeakPolarHBondContact O-CG 3.42Å; K11-L15 PolarHBondContact O-N 2.92Å; T12-L15 PolarHBondContact O-N 3.43Å; L13-L15 PolarHBondContact O-N 2.93Å; L15-Q18 PolarHBondContact O-N 3.14Å; L15-R19 WeakPolarHBondContact O-CB 3.16Å; L15-R19 PolarHBondContact O-N 3.45Å |
| 16 | L | 86.4 | Confident | 75.4 | Confident | 111 Ų | 111 | 118.3 Ų | 118.3 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 176.9 | -68.7 | 173.9 | 0 | 0 | 0 | 111.6 | T12 L13 R19 A20 | T12-L16 HydrophobicContact CG2-CD1 4.06Å; T12-L16 HydrophobicContact CG2-CG 4.42Å; T12-L16 WeakPolarHBondContact O-CG 3.45Å; T12-L16 PolarHBondContact O-N 3.04Å; L13-L16 PolarHBondContact O-N 3Å; L16-R19 PolarHBondContact O-N 2.8Å; L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 2.94Å |
| 17 | L | 83.6 | Confident | 75.5 | Confident | 101 Ų | 101 | 122.8 Ų | 122.8 | 53% | 0.529 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.2 | -46.8 | 175.8 | 180 | 63 | 0 | 0 | 0 | 111.7 | L13 K14 R19 A20 M21 | L13-L17 VanDerWaalsContact O-CB 3.29Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 PolarHBondContact O-N 3.39Å; K14-L17 PolarHBondContact O-N 3.49Å; L17-R19 PolarHBondContact O-N 3.1Å; L17-A20 PolarHBondContact O-N 3.33Å; L17-M21 HydrophobicContact CD1-CG 4.34Å; L17-M21 HydrophobicContact CD1-SD 4.41Å; L17-M21 HydrophobicContact CG-CE 4.19Å; L17-M21 HydrophobicContact CG-SD 4.35Å; L17-M21 WeakPolarHBondContact O-CG 3.35Å; L17-M21 PolarHBondContact O-N 3.4Å |
| 18 | Q | 85.3 | Confident | 75.3 | Confident | 82 Ų | 82 | 122.6 Ų | 122.6 | 38% | 0.383 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.4 | -34 | 176.8 | -76.7 | -177.1 | -71.1 | 0 | 0 | 112.8 | K14 L15 M21 Q22 | K14-Q18 WeakPolarHBondContact O-CB 3.3Å; K14-Q18 VanDerWaalsContact O-CG 3.28Å; K14-Q18 WeakPolarHBondContact O-CG 3.48Å; K14-Q18 PolarHBondContact O-N 3.33Å; L15-Q18 PolarHBondContact O-N 3.14Å; Q18-M21 HydrophobicContact CG-CE 4.4Å; Q18-Q22 WeakPolarHBondContact O-CG 3.47Å; Q18-Q22 PolarHBondContact O-N 3.13Å; Q18-Q22 PolarHBondContact O-NE2 2.9Å |
| 19 | R | 84.8 | Confident | 74.8 | Confident | 167 Ų | 167 | 125.5 Ų | 125.5 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73.5 | -47 | 176.2 | -176.8 | 172.4 | -176.7 | 168.8 | 4.5 | 111.5 | L15 L16 L17 M21 Q22 D23 | L15-R19 WeakPolarHBondContact O-CB 3.16Å; L15-R19 PolarHBondContact O-N 3.45Å; L16-R19 PolarHBondContact O-N 2.8Å; L17-R19 PolarHBondContact O-N 3.1Å; R19-M21 VanDerWaalsContact C-N 3.28Å; R19-M21 PolarHBondContact O-N 2.93Å; R19-Q22 PolarHBondContact O-N 3.5Å; R19-D23 WeakPolarHBondContact CG-OD2 3.21Å; R19-D23 IonicContact NE-OD2 3.53Å; R19-D23 PolarHBondContact O-N 3.3Å |
| 20 | A | 82.2 | Confident | 74.4 | Confident | 54 Ų | 54 | 127.2 Ų | 127.2 | 45% | 0.446 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -58.2 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L16 L17 Q22 S24 | L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 2.94Å; L17-A20 PolarHBondContact O-N 3.33Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 3.32Å; A20-S24 PolarHBondContact O-N 3.04Å; A20-S24 VanDerWaalsContact O-N 3.11Å |
| 21 | M | 79.3 | Confident | 73.3 | Confident | 116 Ų | 116 | 121.8 Ų | 121.8 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.9 | -23.5 | 175.5 | -67.8 | -175.7 | -53.9 | 0 | 0 | 114.2 | L17 Q18 R19 S24 | L17-M21 HydrophobicContact CD1-CG 4.34Å; L17-M21 HydrophobicContact CD1-SD 4.41Å; L17-M21 HydrophobicContact CG-CE 4.19Å; L17-M21 HydrophobicContact CG-SD 4.35Å; L17-M21 WeakPolarHBondContact O-CG 3.35Å; L17-M21 PolarHBondContact O-N 3.4Å; Q18-M21 HydrophobicContact CG-CE 4.4Å; R19-M21 VanDerWaalsContact C-N 3.28Å; R19-M21 PolarHBondContact O-N 2.93Å; M21-S24 VanDerWaalsContact O-O 3.1Å |
| 22 | Q | 79.1 | Confident | 72.1 | Confident | 153 Ų | 153 | 125 Ų | 125 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -87.5 | -32.4 | 176.5 | -77.6 | 176.7 | 90.1 | 0 | 0 | 111.8 | Q18 R19 A20 | Q18-Q22 WeakPolarHBondContact O-CG 3.47Å; Q18-Q22 PolarHBondContact O-N 3.13Å; Q18-Q22 PolarHBondContact O-NE2 2.9Å; R19-Q22 PolarHBondContact O-N 3.5Å; A20-Q22 VanDerWaalsContact C-N 3.32Å; A20-Q22 PolarHBondContact O-N 3.32Å |
| 23 | D | 70.5 | Confident | 70.6 | Confident | 112 Ų | 112 | 131.2 Ų | 131.2 | 60% | 0.599 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.4 | -25.4 | 179.7 | -70.1 | -18.4 | 0 | 0 | 0 | 111.9 | R19 | R19-D23 WeakPolarHBondContact CG-OD2 3.21Å; R19-D23 IonicContact NE-OD2 3.53Å; R19-D23 PolarHBondContact O-N 3.3Å |
| 24 | S | 63.9 | Low | 69.4 | Low | 64 Ų | 64 | 129.4 Ų | 129.4 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -117.1 | 100 | 169.1 | -65.3 | 0 | 0 | 0 | 0 | 109.6 | A20 M21 E26 | A20-S24 PolarHBondContact O-N 3.04Å; A20-S24 VanDerWaalsContact O-N 3.11Å; M21-S24 VanDerWaalsContact O-O 3.1Å; S24-E26 PolarHBondContact O-N 2.82Å |
| 25 | P | 57.1 | Low | 68 | Low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | trans | -76.9 | 70.9 | 167.4 | 33.4 | -31.8 | 0 | 0 | 0 | 108.2 | ||||
| 26 | E | 57.6 | Low | 67 | Low | 161 Ų | 161 | 126.4 Ų | 126.4 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | trans | -86.2 | 109.2 | 163 | -79.1 | 168.7 | -176.5 | 0 | 0 | 106.7 | S24 E28 | S24-E26 PolarHBondContact O-N 2.82Å; E26-E28 VanDerWaalsContact C-N 3.27Å; E26-E28 PolarHBondContact O-N 3.19Å | ||
| 27 | E | 61.5 | Low | 65.6 | Low | 196 Ų | 196 | 129.5 Ų | 129.5 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | trans | -60 | 88.3 | 170 | -56.9 | -163.4 | 152.2 | 0 | 0 | 109.1 | ||||
| 28 | E | 57.7 | Low | 64.5 | Low | 175 Ų | 175 | 132.6 Ų | 132.6 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -125.6 | 116.7 | 163.9 | -86 | -162 | 151.2 | 0 | 0 | 111.1 | E26 C30 | E26-E28 VanDerWaalsContact C-N 3.27Å; E26-E28 PolarHBondContact O-N 3.19Å; E28-C30 PolarHBondContact O-N 3.47Å | ||
| 29 | E | 53 | Low | 63.4 | Low | 204 Ų | 204 | 133.5 Ų | 133.5 | 95% | 0.953 | 72% | 0.716 | S | S | * | * | trans | -50.5 | 71.6 | 170.5 | -163.2 | 175.7 | -150.6 | 0 | 0 | 111.6 | G31 | E29-G31 PolarHBondContact O-N 3.34Å; E29-G31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | C | 62.4 | Low | 62.3 | Low | 135 Ų | 135 | 135.6 Ų | 135.6 | 91% | 0.912 | 72% | 0.724 | S | S | * | * | trans | -78.3 | 97.6 | 169.1 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | E28 | E28-C30 PolarHBondContact O-N 3.47Š| ||
| 31 | G | 53.6 | Low | 61.3 | Low | 60 Ų | 60 | 136.8 Ų | 136.8 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 164.1 | 61.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118 | E29 | E29-G31 PolarHBondContact O-N 3.34Å; E29-G31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | E | 54.3 | Low | 60.8 | Low | 195 Ų | 195 | 135.5 Ų | 135.5 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | trans | -162.5 | 37.1 | 144.9 | -114.3 | 171.9 | -144.8 | 0 | 0 | 115.5 | G34 | E32-G34 PolarHBondContact O-N 3.45Š| ||
| 33 | M | 54 | Low | 60.4 | Low | 183 Ų | 183 | 135.2 Ų | 135.2 | 90% | 0.901 | 71% | 0.711 | S | S | * | * | trans | -84.9 | 62.2 | 159.8 | -150.4 | 75.8 | 178.5 | 0 | 0 | 110.3 | S35 | M33-S35 VanDerWaalsContact C-N 3.28Å; M33-S35 PolarHBondContact O-N 3.4Å | ||
| 34 | G | 58 | Low | 60.6 | Low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 71% | 0.708 | S | S | * | * | trans | -63.3 | 90.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | E32 | E32-G34 PolarHBondContact O-N 3.45Š| ||
| 35 | S | 56.7 | Low | 61.3 | Low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | trans | -115.5 | 86.1 | 166.7 | -162 | 0 | 0 | 0 | 0 | 110.4 | M33 R37 | M33-S35 VanDerWaalsContact C-N 3.28Å; M33-S35 PolarHBondContact O-N 3.4Å; S35-R37 PolarHBondContact O-N 3.03Å | ||
| 36 | S | 65.8 | Low | 62.5 | Low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | trans | -62.9 | 69.1 | 159.7 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | R38 | S36-R38 PolarHBondContact O-N 2.99Š| ||
| 37 | R | 56.8 | Low | 63.6 | Low | 175 Ų | 175 | 136.7 Ų | 136.7 | 66% | 0.66 | 70% | 0.701 | S | S | * | * | trans | -79.9 | 107 | 178.1 | -154.3 | 171.8 | 179.5 | 177.7 | 3.6 | 109.1 | S35 E41 | S35-R37 PolarHBondContact O-N 3.03Å; R37-E41 WeakPolarHBondContact CG-OE2 3.39Å; R37-E41 IonicContact CZ-OE2 3.81Å; R37-E41 IonicContact NE-OE2 2.94Å; R37-E41 PolarHBondContact NE-OE2 3.17Å; R37-E41 IonicContact NH2-OE2 3.79Å | ||
| 38 | R | 61.8 | Low | 64.6 | Low | 167 Ų | 167 | 129.4 Ų | 129.4 | 63% | 0.63 | 68% | 0.678 | S | S | * | * | trans | -46.2 | 133 | -169.7 | -63 | -79.3 | 173.6 | 166.8 | -5 | 111.9 | S36 R40 E41 | S36-R38 PolarHBondContact O-N 2.99Å; R38-R40 PolarHBondContact O-N 2.94Å; R38-E41 PolarHBondContact O-N 2.88Å; R38-E41 VanDerWaalsContact O-N 3.14Å | ||
| 39 | P | 62.2 | Low | 65.9 | Low | 101 Ų | 101 | 126.1 Ų | 126.1 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -59.7 | -12.7 | -179.4 | -2.9 | 0.7 | 0 | 0 | 0 | 115.3 | ||
| 40 | R | 60 | Low | 67.4 | Low | 210 Ų | 210 | 124.2 Ų | 124.2 | 79% | 0.792 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -36.7 | 178.8 | -71.3 | 178 | 176.2 | -107.1 | 1.1 | 112.8 | R38 I42 K43 T44 | R38-R40 PolarHBondContact O-N 2.94Å; R40-I42 VanDerWaalsContact C-N 3.35Å; R40-I42 PolarHBondContact O-N 3.14Å; R40-K43 PolarHBondContact O-N 3.37Å; R40-T44 PolarHBondContact O-N 3.5Å; R40-T44 PolarHBondContact O-OG1 3.3Å |
| 41 | E | 62.3 | Low | 68.4 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 37% | 0.369 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.8 | -37.9 | -179 | -75 | 167.6 | -142.5 | 0 | 0 | 111.9 | R37 R38 K43 T44 V45 | R37-E41 WeakPolarHBondContact CG-OE2 3.39Å; R37-E41 IonicContact CZ-OE2 3.81Å; R37-E41 IonicContact NE-OE2 2.94Å; R37-E41 PolarHBondContact NE-OE2 3.17Å; R37-E41 IonicContact NH2-OE2 3.79Å; R38-E41 PolarHBondContact O-N 2.88Å; R38-E41 VanDerWaalsContact O-N 3.14Å; E41-K43 PolarHBondContact O-N 3.4Å; E41-T44 WeakPolarHBondContact CA-OG1 3.34Å; E41-T44 PolarHBondContact O-N 3.06Å; E41-T44 PolarHBondContact O-OG1 2.98Å; E41-V45 WeakPolarHBondContact O-CG2 3.37Å; E41-V45 PolarHBondContact O-N 3.29Å |
| 42 | I | 67.9 | Low | 69.8 | Low | 89 Ų | 89 | 118.1 Ų | 118.1 | 46% | 0.456 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -46.2 | 178.6 | -62.8 | 169.8 | 0 | 0 | 0 | 109.3 | R40 T44 V45 W46 | R40-I42 VanDerWaalsContact C-N 3.35Å; R40-I42 PolarHBondContact O-N 3.14Å; I42-T44 VanDerWaalsContact C-N 3.29Å; I42-T44 PolarHBondContact O-N 2.72Å; I42-V45 PolarHBondContact O-N 3.12Å; I42-V45 VanDerWaalsContact O-N 3.17Å; I42-W46 VanDerWaalsContact CG2-CD1 3.43Å; I42-W46 PolarHBondContact O-N 3.27Å |
| 43 | K | 70.6 | Confident | 71.1 | Confident | 147 Ų | 147 | 115 Ų | 115 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.6 | -36 | 177.8 | -73.3 | -179.5 | -180 | -179.8 | 0 | 113.1 | R40 E41 K47 | R40-K43 PolarHBondContact O-N 3.37Å; E41-K43 PolarHBondContact O-N 3.4Å; K43-K47 VanDerWaalsContact O-CG 3.31Å; K43-K47 WeakPolarHBondContact O-CG 3.37Å; K43-K47 PolarHBondContact O-N 3.48Å; K43-K47 VanDerWaalsContact O-N 3.12Å |
| 44 | T | 76.1 | Confident | 72.4 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.4 | -39.1 | 177 | 44 | 0 | 0 | 0 | 0 | 112 | R40 E41 I42 K47 G48 | R40-T44 PolarHBondContact O-N 3.5Å; R40-T44 PolarHBondContact O-OG1 3.3Å; E41-T44 WeakPolarHBondContact CA-OG1 3.34Å; E41-T44 PolarHBondContact O-N 3.06Å; E41-T44 PolarHBondContact O-OG1 2.98Å; I42-T44 VanDerWaalsContact C-N 3.29Å; I42-T44 PolarHBondContact O-N 2.72Å; T44-K47 PolarHBondContact O-N 3.28Å; T44-G48 PolarHBondContact O-N 2.97Å |
| 45 | V | 79 | Confident | 73.1 | Confident | 97 Ų | 97 | 117 Ų | 117 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.9 | -45.7 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | E41 I42 K47 G48 L49 | E41-V45 WeakPolarHBondContact O-CG2 3.37Å; E41-V45 PolarHBondContact O-N 3.29Å; I42-V45 PolarHBondContact O-N 3.12Å; I42-V45 VanDerWaalsContact O-N 3.17Å; V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.25Å; V45-G48 PolarHBondContact O-N 3.31Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 PolarHBondContact O-N 2.98Å |
| 46 | W | 80.6 | Confident | 73.4 | Confident | 155 Ų | 155 | 121.3 Ų | 121.3 | 59% | 0.587 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.4 | -35.1 | 177.1 | -78.5 | 104.3 | 0 | 0 | 0 | 113.5 | I42 R50 | I42-W46 VanDerWaalsContact CG2-CD1 3.43Å; I42-W46 PolarHBondContact O-N 3.27Å; W46-R50 WeakPolarHBondContact O-CB 3.49Å; W46-R50 PolarHBondContact O-N 2.9Å; W46-R50 VanDerWaalsContact O-N 3.13Å |
| 47 | K | 80.6 | Confident | 73 | Confident | 148 Ų | 148 | 128.2 Ų | 128.2 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.6 | -45.3 | 174.8 | -76.3 | 175.2 | 177.9 | -171.1 | 0 | 111.6 | K43 T44 V45 R50 A51 | K43-K47 VanDerWaalsContact O-CG 3.31Å; K43-K47 WeakPolarHBondContact O-CG 3.37Å; K43-K47 PolarHBondContact O-N 3.48Å; K43-K47 VanDerWaalsContact O-N 3.12Å; T44-K47 PolarHBondContact O-N 3.28Å; V45-K47 VanDerWaalsContact C-N 3.31Å; V45-K47 PolarHBondContact O-N 3.25Å; K47-R50 PolarHBondContact O-N 3.35Å; K47-A51 PolarHBondContact O-N 3.13Å |
| 48 | G | 82.8 | Confident | 73.8 | Confident | 43 Ų | 43 | 125.9 Ų | 125.9 | 44% | 0.443 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.3 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T44 V45 A51 A52 | T44-G48 PolarHBondContact O-N 2.97Å; V45-G48 PolarHBondContact O-N 3.31Å; G48-A51 PolarHBondContact O-N 3.48Å; G48-A52 PolarHBondContact O-N 3Å |
| 49 | L | 84.6 | Confident | 74.4 | Confident | 107 Ų | 107 | 123.7 Ų | 123.7 | 56% | 0.56 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.2 | -44.1 | 178.1 | -173.2 | 65.9 | 0 | 0 | 0 | 112 | V45 A51 A52 L53 | V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 PolarHBondContact O-N 2.98Å; L49-A51 PolarHBondContact O-N 3.29Å; L49-A52 PolarHBondContact O-N 3.04Å; L49-L53 PolarHBondContact O-N 3.44Å |
| 50 | R | 85.8 | Confident | 75.1 | Confident | 163 Ų | 163 | 125 Ų | 125 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 174.7 | -87 | -159.6 | -78.9 | -153.8 | -3.6 | 112.7 | W46 K47 A52 L53 I54 | W46-R50 WeakPolarHBondContact O-CB 3.49Å; W46-R50 PolarHBondContact O-N 2.9Å; W46-R50 VanDerWaalsContact O-N 3.13Å; K47-R50 PolarHBondContact O-N 3.35Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.05Å; R50-L53 PolarHBondContact O-N 3.44Å; R50-I54 WeakPolarHBondContact O-CG1 3.35Å; R50-I54 PolarHBondContact O-N 3.17Å |
| 51 | A | 82.5 | Confident | 76 | Confident | 38 Ų | 38 | 120 Ų | 120 | 31% | 0.314 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K47 G48 L49 R55 | K47-A51 PolarHBondContact O-N 3.13Å; G48-A51 PolarHBondContact O-N 3.48Å; L49-A51 PolarHBondContact O-N 3.29Å; A51-R55 WeakPolarHBondContact O-CG 3.34Å; A51-R55 PolarHBondContact O-N 3.49Å; A51-R55 VanDerWaalsContact O-N 3.17Å; A51-R55 PolarHBondContact O-NH1 3.35Å |
| 52 | A | 83.1 | Confident | 76.9 | Confident | 29 Ų | 29 | 122.6 Ų | 122.6 | 24% | 0.24 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -63.3 | -42.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G48 L49 R50 I54 R55 H56 | G48-A52 PolarHBondContact O-N 3Å; L49-A52 PolarHBondContact O-N 3.04Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.05Å; A52-I54 PolarHBondContact O-N 3.29Å; A52-R55 PolarHBondContact O-N 3.36Å; A52-H56 PolarHBondContact O-CD2 3.49Å; A52-H56 PolarHBondContact O-N 3.42Å |
| 53 | L | 81.8 | Confident | 77.5 | Confident | 130 Ų | 130 | 124.8 Ų | 124.8 | 68% | 0.681 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.3 | -39.3 | 179.4 | -173.3 | 64.6 | 0 | 0 | 0 | 112.7 | L49 R50 R55 H56 | L49-L53 PolarHBondContact O-N 3.44Å; R50-L53 PolarHBondContact O-N 3.44Å; L53-R55 VanDerWaalsContact C-N 3.34Å; L53-H56 PolarHBondContact O-N 3.25Å |
| 54 | I | 81.6 | Confident | 78 | Confident | 128 Ų | 128 | 123.2 Ų | 123.2 | 66% | 0.656 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68 | -35.6 | 176.8 | -66.8 | 165.1 | 0 | 0 | 0 | 111.3 | R50 A52 H56 K57 | R50-I54 WeakPolarHBondContact O-CG1 3.35Å; R50-I54 PolarHBondContact O-N 3.17Å; A52-I54 PolarHBondContact O-N 3.29Å; I54-H56 PolarHBondContact O-N 3.46Å; I54-K57 PolarHBondContact O-N 3.35Å |
| 55 | R | 73.3 | Confident | 78.1 | Confident | 176 Ų | 176 | 126 Ų | 126 | 66% | 0.664 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.4 | -20.2 | 178.6 | -75.4 | -170.8 | -55.9 | -95.7 | 4.9 | 114.2 | A51 A52 L53 | A51-R55 WeakPolarHBondContact O-CG 3.34Å; A51-R55 PolarHBondContact O-N 3.49Å; A51-R55 VanDerWaalsContact O-N 3.17Å; A51-R55 PolarHBondContact O-NH1 3.35Å; A52-R55 PolarHBondContact O-N 3.36Å; L53-R55 VanDerWaalsContact C-N 3.34Å |
| 56 | H | 62.8 | Low | 78 | Confident | 173 Ų | 173 | 128.4 Ų | 128.4 | 80% | 0.801 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 24.2 | -178.7 | -79.5 | -76.6 | 0 | 0 | 0 | 113.1 | A52 L53 I54 | A52-H56 PolarHBondContact O-CD2 3.49Å; A52-H56 PolarHBondContact O-N 3.42Å; L53-H56 PolarHBondContact O-N 3.25Å; I54-H56 PolarHBondContact O-N 3.46Å |
| 57 | K | 57 | Low | 77.8 | Confident | 251 Ų | 251 | 126 Ų | 126 | 100% | 1.091 | 61% | 0.61 | S | S | * | * | trans | -115.6 | 0 | 174 | -174 | 170.3 | -178.8 | 176.8 | 0 | 111.6 | I54 | I54-K57 PolarHBondContact O-N 3.35Š|
Retrieved 57 of 57 residues in 71.2 ms
(Link to these results)