| 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 | 40.1 | Very low | 68 | Low | 245 Ų | 245 | 146.5 Ų | 146.5 | 100% | 1.207 | 80% | 0.8 | S | S | * | * | 0 | 104.5 | 0 | -67.1 | -166.9 | 176.2 | 0 | 0 | 107.8 | G3 | M1-G3 PolarHBondContact O-N 2.71Š| |||
| 2 | A | 45.1 | Very low | 69.8 | Low | 106 Ų | 106 | 143.8 Ų | 143.8 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 115.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | G4 | A2-G4 PolarHBondContact O-N 3.08Å; A2-G4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | G | 50.4 | Low | 71.4 | Confident | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -64.9 | 108 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1 R5 | M1-G3 PolarHBondContact O-N 2.71Å; G3-R5 PolarHBondContact O-N 3.05Å | ||
| 4 | G | 56.9 | Low | 73.1 | Confident | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | trans | -59.1 | 134.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | A2 Q6 | A2-G4 PolarHBondContact O-N 3.08Å; A2-G4 VanDerWaalsContact O-N 3.1Å; G4-Q6 PolarHBondContact O-N 2.87Å | ||
| 5 | R | 63.8 | Low | 74.5 | Confident | 253 Ų | 253 | 130.9 Ų | 130.9 | 96% | 0.955 | 72% | 0.717 | S | S | * | * | trans | -61.5 | 109.2 | 172.9 | -87.8 | 179.1 | 175.7 | 153.4 | -1.2 | 108.3 | G3 | G3-R5 PolarHBondContact O-N 3.05Š| ||
| 6 | Q | 72.1 | Confident | 75.7 | Confident | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 134.7 | 169 | -73.1 | 177.9 | -31.5 | 0 | 0 | 109.2 | G4 K8 | G4-Q6 PolarHBondContact O-N 2.87Å; Q6-K8 PolarHBondContact O-N 3.49Å |
| 7 | E | 77.2 | Confident | 76.9 | Confident | 196 Ų | 196 | 126.9 Ų | 126.9 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -60 | 126.6 | 173.3 | -170.8 | 170 | -174.5 | 0 | 0 | 108.7 | D9 | E7-D9 PolarHBondContact O-N 3.43Š|
| 8 | K | 75.8 | Confident | 78 | Confident | 157 Ų | 157 | 124 Ų | 124 | 68% | 0.683 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 123.5 | -172.4 | -64.2 | -178.4 | -179.6 | -179.4 | 0 | 109.3 | Q6 L10 L13 | Q6-K8 PolarHBondContact O-N 3.49Å; K8-L10 PolarHBondContact O-N 2.82Å; K8-L10 VanDerWaalsContact O-N 3.09Å; K8-L13 HydrophobicContact CB-CD1 3.91Å; K8-L13 HydrophobicContact CD-CD1 4.16Å |
| 9 | D | 86.4 | Confident | 78.9 | Confident | 98 Ų | 98 | 121.7 Ų | 121.7 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | trans | -63.7 | 111 | 171.7 | 179.2 | 8.2 | 0 | 0 | 0 | 110.3 | E7 V11 H12 L13 | E7-D9 PolarHBondContact O-N 3.43Å; D9-V11 VanDerWaalsContact C-N 3.25Å; D9-V11 PolarHBondContact O-N 3.39Å; D9-V11 WeakPolarHBondContact OD1-CB 3.19Å; D9-V11 PolarHBondContact OD1-N 3.2Å; D9-H12 HydrophobicContact CB-CB 4.02Å; D9-H12 PolarHBondContact O-N 3Å; D9-L13 WeakPolarHBondContact O-CG 3.31Å; D9-L13 PolarHBondContact O-N 3Å; D9-L13 VanDerWaalsContact O-N 3.12Å | ||
| 10 | L | 88.6 | Confident | 79.7 | Confident | 126 Ų | 126 | 119.3 Ų | 119.3 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.4 | -31.2 | -179 | -59.2 | 175.7 | 0 | 0 | 0 | 111.6 | K8 L13 N14 | K8-L10 PolarHBondContact O-N 2.82Å; K8-L10 VanDerWaalsContact O-N 3.09Å; L10-L13 PolarHBondContact O-N 2.97Å; L10-N14 WeakPolarHBondContact O-CB 3.28Å; L10-N14 VanDerWaalsContact O-CG 3.22Å; L10-N14 PolarHBondContact O-N 3.32Å; L10-N14 PolarHBondContact O-ND2 3.1Å |
| 11 | V | 91.6 | Very high | 80.4 | Confident | 109 Ų | 109 | 115.5 Ų | 115.5 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.9 | -44.6 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | D9 N14 A15 | D9-V11 VanDerWaalsContact C-N 3.25Å; D9-V11 PolarHBondContact O-N 3.39Å; D9-V11 WeakPolarHBondContact OD1-CB 3.19Å; D9-V11 PolarHBondContact OD1-N 3.2Å; V11-N14 PolarHBondContact O-N 2.69Å; V11-A15 PolarHBondContact O-N 3.46Å |
| 12 | H | 89.1 | Confident | 83 | Confident | 115 Ų | 115 | 110.8 Ų | 110.8 | 53% | 0.532 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -43.3 | 177 | -170.3 | 75 | 0 | 0 | 0 | 112.6 | D9 N14 A15 I16 | D9-H12 HydrophobicContact CB-CB 4.02Å; D9-H12 PolarHBondContact O-N 3Å; H12-N14 VanDerWaalsContact C-N 3.34Å; H12-N14 PolarHBondContact O-N 2.99Å; H12-A15 WeakPolarHBondContact O-CB 3.16Å; H12-A15 PolarHBondContact O-N 3.19Å; H12-I16 WeakPolarHBondContact O-CG1 3.33Å; H12-I16 PolarHBondContact O-N 2.9Å; H12-I16 VanDerWaalsContact O-N 3.08Å |
| 13 | L | 91.5 | Very high | 85.2 | Confident | 75 Ų | 75 | 110.6 Ų | 110.6 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -41 | 176.2 | -70.4 | 176.7 | 0 | 0 | 0 | 112.5 | K8 D9 L10 A15 I16 H17 | K8-L13 HydrophobicContact CB-CD1 3.91Å; K8-L13 HydrophobicContact CD-CD1 4.16Å; D9-L13 WeakPolarHBondContact O-CG 3.31Å; D9-L13 PolarHBondContact O-N 3Å; D9-L13 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 2.97Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.13Å; L13-I16 PolarHBondContact O-N 3.49Å; L13-H17 PolarHBondContact O-N 3.42Å |
| 14 | N | 94.2 | Very high | 87 | Confident | 106 Ų | 106 | 113 Ų | 113 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.4 | -38.6 | 175.8 | -75.2 | -24.6 | 0 | 0 | 0 | 111.6 | L10 V11 H12 H17 V18 | L10-N14 WeakPolarHBondContact O-CB 3.28Å; L10-N14 VanDerWaalsContact O-CG 3.22Å; L10-N14 PolarHBondContact O-N 3.32Å; L10-N14 PolarHBondContact O-ND2 3.1Å; V11-N14 PolarHBondContact O-N 2.69Å; H12-N14 VanDerWaalsContact C-N 3.34Å; H12-N14 PolarHBondContact O-N 2.99Å; N14-H17 PolarHBondContact O-N 3.47Å; N14-V18 VanDerWaalsContact O-CG2 3.3Å; N14-V18 WeakPolarHBondContact O-CG2 3.36Å; N14-V18 PolarHBondContact O-N 2.97Å |
| 15 | A | 94.2 | Very high | 88.4 | Confident | 57 Ų | 57 | 119 Ų | 119 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V11 H12 L13 V18 E19 | V11-A15 PolarHBondContact O-N 3.46Å; H12-A15 WeakPolarHBondContact O-CB 3.16Å; H12-A15 PolarHBondContact O-N 3.19Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.13Å; A15-V18 PolarHBondContact O-N 3.42Å; A15-E19 WeakPolarHBondContact O-CB 3.19Å; A15-E19 PolarHBondContact O-N 3.06Å; A15-E19 VanDerWaalsContact O-N 3.07Å |
| 16 | I | 94.9 | Very high | 89.4 | Confident | 72 Ų | 72 | 116.1 Ų | 116.1 | 37% | 0.369 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -44.9 | 174.9 | -66.6 | 166.7 | 0 | 0 | 0 | 110.7 | H12 L13 V18 E19 N20 | H12-I16 WeakPolarHBondContact O-CG1 3.33Å; H12-I16 PolarHBondContact O-N 2.9Å; H12-I16 VanDerWaalsContact O-N 3.08Å; L13-I16 PolarHBondContact O-N 3.49Å; I16-V18 PolarHBondContact O-N 3.28Å; I16-E19 WeakPolarHBondContact O-CB 3.42Å; I16-E19 PolarHBondContact O-N 3.01Å; I16-N20 PolarHBondContact O-N 3.06Å |
| 17 | H | 95.3 | Very high | 89.7 | Confident | 122 Ų | 122 | 116.1 Ų | 116.1 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.9 | -44 | -179.5 | -173.1 | 65.9 | 0 | 0 | 0 | 112 | L13 N14 E19 N20 V21 | L13-H17 PolarHBondContact O-N 3.42Å; N14-H17 PolarHBondContact O-N 3.47Å; H17-E19 VanDerWaalsContact C-N 3.27Å; H17-E19 PolarHBondContact O-N 3.18Å; H17-N20 PolarHBondContact O-N 3.11Å; H17-V21 WeakPolarHBondContact O-CG2 3.42Å; H17-V21 PolarHBondContact O-N 3.32Å |
| 18 | V | 96.4 | Very high | 89.8 | Confident | 74 Ų | 74 | 114.4 Ų | 114.4 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 175.8 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | N14 A15 I16 K22 | N14-V18 VanDerWaalsContact O-CG2 3.3Å; N14-V18 WeakPolarHBondContact O-CG2 3.36Å; N14-V18 PolarHBondContact O-N 2.97Å; A15-V18 PolarHBondContact O-N 3.42Å; I16-V18 PolarHBondContact O-N 3.28Å; V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 WeakPolarHBondContact O-CB 3.12Å; V18-K22 VanDerWaalsContact O-CG 3.3Å; V18-K22 WeakPolarHBondContact O-CG 3.46Å; V18-K22 PolarHBondContact O-N 3.2Å |
| 19 | E | 95.8 | Very high | 89.7 | Confident | 81 Ų | 81 | 114.2 Ų | 114.2 | 38% | 0.379 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 177.8 | -158.2 | -81.3 | 146.5 | 0 | 0 | 111.9 | A15 I16 H17 K22 K23 | A15-E19 WeakPolarHBondContact O-CB 3.19Å; A15-E19 PolarHBondContact O-N 3.06Å; A15-E19 VanDerWaalsContact O-N 3.07Å; I16-E19 WeakPolarHBondContact O-CB 3.42Å; I16-E19 PolarHBondContact O-N 3.01Å; H17-E19 VanDerWaalsContact C-N 3.27Å; H17-E19 PolarHBondContact O-N 3.18Å; E19-K22 WeakPolarHBondContact O-CB 3.31Å; E19-K22 PolarHBondContact O-N 3.33Å; E19-K23 PolarHBondContact O-N 2.84Å; E19-K23 VanDerWaalsContact OE1-CD 3.23Å; E19-K23 WeakPolarHBondContact OE1-CD 3.2Å; E19-K23 WeakPolarHBondContact OE1-CE 3.18Å; E19-K23 IonicContact OE1-NZ 2.76Å; E19-K23 PolarHBondContact OE1-NZ 3.4Å; E19-K23 WeakPolarHBondContact OE2-CE 3.34Å; E19-K23 IonicContact OE2-NZ 2.74Å; E19-K23 PolarHBondContact OE2-NZ 3.25Å |
| 20 | N | 95.3 | Very high | 89.3 | Confident | 72 Ų | 72 | 116.6 Ų | 116.6 | 39% | 0.385 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -47.7 | 174.8 | -77.8 | -15 | 0 | 0 | 0 | 111.9 | I16 H17 K22 K23 E24 | I16-N20 PolarHBondContact O-N 3.06Å; H17-N20 PolarHBondContact O-N 3.11Å; N20-K22 VanDerWaalsContact C-N 3.26Å; N20-K22 PolarHBondContact O-N 2.71Å; N20-K23 WeakPolarHBondContact O-CB 3.4Å; N20-K23 PolarHBondContact O-N 3.45Å; N20-K23 VanDerWaalsContact O-N 3.12Å; N20-E24 WeakPolarHBondContact O-CG 3.49Å; N20-E24 PolarHBondContact O-N 3.22Å |
| 21 | V | 94.4 | Very high | 88.7 | Confident | 40 Ų | 40 | 117.3 Ų | 117.3 | 24% | 0.242 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -60.2 | -38.2 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | H17 R25 | H17-V21 WeakPolarHBondContact O-CG2 3.42Å; H17-V21 PolarHBondContact O-N 3.32Å; V21-R25 HydrophobicContact CG1-CG 4.41Å; V21-R25 WeakPolarHBondContact O-CB 3.45Å; V21-R25 VanDerWaalsContact O-CG 3.24Å; V21-R25 WeakPolarHBondContact O-CG 3.41Å; V21-R25 PolarHBondContact O-N 3.4Å |
| 22 | K | 93.9 | Very high | 88 | Confident | 146 Ų | 146 | 117.1 Ų | 117.1 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65 | -42.6 | 175.4 | -77.4 | 174.4 | 179.9 | 179.1 | 0 | 112.1 | V18 E19 N20 R26 | V18-K22 HydrophobicContact CG1-CD 4.25Å; V18-K22 WeakPolarHBondContact O-CB 3.12Å; V18-K22 VanDerWaalsContact O-CG 3.3Å; V18-K22 WeakPolarHBondContact O-CG 3.46Å; V18-K22 PolarHBondContact O-N 3.2Å; E19-K22 WeakPolarHBondContact O-CB 3.31Å; E19-K22 PolarHBondContact O-N 3.33Å; N20-K22 VanDerWaalsContact C-N 3.26Å; N20-K22 PolarHBondContact O-N 2.71Å; K22-R26 WeakPolarHBondContact O-CB 3.45Å; K22-R26 PolarHBondContact O-N 2.97Å; K22-R26 VanDerWaalsContact O-N 3.07Å |
| 23 | K | 92 | Very high | 87.6 | Confident | 103 Ų | 103 | 120 Ų | 120 | 45% | 0.448 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -48.4 | 176.1 | -80.7 | 173.5 | 165.9 | 149.1 | 0 | 111.6 | E19 N20 R25 R26 Y27 | E19-K23 PolarHBondContact O-N 2.84Å; E19-K23 VanDerWaalsContact OE1-CD 3.23Å; E19-K23 WeakPolarHBondContact OE1-CD 3.2Å; E19-K23 WeakPolarHBondContact OE1-CE 3.18Å; E19-K23 IonicContact OE1-NZ 2.76Å; E19-K23 PolarHBondContact OE1-NZ 3.4Å; E19-K23 WeakPolarHBondContact OE2-CE 3.34Å; E19-K23 IonicContact OE2-NZ 2.74Å; E19-K23 PolarHBondContact OE2-NZ 3.25Å; N20-K23 WeakPolarHBondContact O-CB 3.4Å; N20-K23 PolarHBondContact O-N 3.45Å; N20-K23 VanDerWaalsContact O-N 3.12Å; K23-R25 PolarHBondContact O-N 3.48Å; K23-R26 WeakPolarHBondContact O-CB 3.12Å; K23-R26 PolarHBondContact O-N 3.18Å; K23-R26 VanDerWaalsContact O-N 3.15Å; K23-Y27 WeakPolarHBondContact O-CD2 3.24Å; K23-Y27 PolarHBondContact O-N 2.92Å |
| 24 | E | 88.6 | Confident | 86.8 | Confident | 131 Ų | 131 | 124.3 Ų | 124.3 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.4 | -49 | 178.2 | -72.8 | 176.5 | 177 | 0 | 0 | 111.2 | N20 R26 Y27 Q28 | N20-E24 WeakPolarHBondContact O-CG 3.49Å; N20-E24 PolarHBondContact O-N 3.22Å; E24-R26 VanDerWaalsContact C-N 3.26Å; E24-R26 PolarHBondContact O-N 2.96Å; E24-Y27 PolarHBondContact O-N 3.49Å; E24-Y27 VanDerWaalsContact O-N 3.14Å; E24-Q28 VanDerWaalsContact O-CB 3.32Å; E24-Q28 WeakPolarHBondContact O-CB 3.44Å; E24-Q28 PolarHBondContact O-N 3.13Å |
| 25 | R | 86 | Confident | 85.8 | Confident | 191 Ų | 191 | 124.8 Ų | 124.8 | 72% | 0.721 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.2 | -31.5 | 177 | -74.6 | 178.6 | 177.1 | -163.9 | 0 | 113.5 | V21 K23 Y27 | V21-R25 HydrophobicContact CG1-CG 4.41Å; V21-R25 WeakPolarHBondContact O-CB 3.45Å; V21-R25 VanDerWaalsContact O-CG 3.24Å; V21-R25 WeakPolarHBondContact O-CG 3.41Å; V21-R25 PolarHBondContact O-N 3.4Å; K23-R25 PolarHBondContact O-N 3.48Å; R25-Y27 VanDerWaalsContact C-N 3.35Å |
| 26 | R | 83.9 | Confident | 84.8 | Confident | 191 Ų | 191 | 126.4 Ų | 126.4 | 72% | 0.721 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.5 | -37.3 | 177.2 | -173.8 | -179.4 | -179.4 | -173.7 | 0.6 | 112 | K22 K23 E24 | K22-R26 WeakPolarHBondContact O-CB 3.45Å; K22-R26 PolarHBondContact O-N 2.97Å; K22-R26 VanDerWaalsContact O-N 3.07Å; K23-R26 WeakPolarHBondContact O-CB 3.12Å; K23-R26 PolarHBondContact O-N 3.18Å; K23-R26 VanDerWaalsContact O-N 3.15Å; E24-R26 VanDerWaalsContact C-N 3.26Å; E24-R26 PolarHBondContact O-N 2.96Å |
| 27 | Y | 78.2 | Confident | 83.9 | Confident | 177 Ų | 177 | 126.4 Ų | 126.4 | 69% | 0.694 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -96 | -14.8 | -177.3 | -64.5 | -68.9 | 0 | 0 | 0 | 113.6 | K23 E24 R25 K29 | K23-Y27 WeakPolarHBondContact O-CD2 3.24Å; K23-Y27 PolarHBondContact O-N 2.92Å; E24-Y27 PolarHBondContact O-N 3.49Å; E24-Y27 VanDerWaalsContact O-N 3.14Å; R25-Y27 VanDerWaalsContact C-N 3.35Å; Y27-K29 PolarHBondContact O-N 3.32Å |
| 28 | Q | 79 | Confident | 82.9 | Confident | 160 Ų | 160 | 125.8 Ų | 125.8 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | trans | -79 | 48.7 | 173.4 | -159.6 | 178.3 | 15.2 | 0 | 0 | 112 | E24 | E24-Q28 VanDerWaalsContact O-CB 3.32Å; E24-Q28 WeakPolarHBondContact O-CB 3.44Å; E24-Q28 PolarHBondContact O-N 3.13Å | ||
| 29 | K | 75.4 | Confident | 82.1 | Confident | 152 Ų | 152 | 132.2 Ų | 132.2 | 66% | 0.661 | 62% | 0.622 | S | S | * | * | trans | -91.1 | 109.1 | 174.7 | -163.9 | 171.5 | -176.1 | 178.2 | 0 | 109 | Y27 H31 | Y27-K29 PolarHBondContact O-N 3.32Å; K29-H31 PolarHBondContact O-CD2 2.95Å; K29-H31 PolarHBondContact O-N 3.05Å; K29-H31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | L | 77.4 | Confident | 81 | Confident | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 64% | 0.638 | S | S | * | * | trans | -70.5 | 107.4 | 172.9 | -173.5 | 67.5 | 0 | 0 | 0 | 108.6 | T32 | L30-T32 HydrophobicContact CD2-CG2 3.76Å; L30-T32 HydrophobicContact CG-CG2 3.85Å; L30-T32 PolarHBondContact O-N 2.61Å; L30-T32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | H | 75.8 | Confident | 79.7 | Confident | 141 Ų | 141 | 143.9 Ų | 143.9 | 65% | 0.653 | 66% | 0.662 | S | S | * | * | trans | -79.5 | 91 | 171.2 | -72.1 | -77.4 | 0 | 0 | 0 | 109 | K29 | K29-H31 PolarHBondContact O-CD2 2.95Å; K29-H31 PolarHBondContact O-N 3.05Å; K29-H31 VanDerWaalsContact O-N 3.14Å | ||
| 32 | T | 77.1 | Confident | 78.4 | Confident | 105 Ų | 105 | 147.4 Ų | 147.4 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | trans | -77.3 | -27.5 | 176.3 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | L30 | L30-T32 HydrophobicContact CD2-CG2 3.76Å; L30-T32 HydrophobicContact CG-CG2 3.85Å; L30-T32 PolarHBondContact O-N 2.61Å; L30-T32 VanDerWaalsContact O-N 3.14Å | ||
| 33 | E | 80.1 | Confident | 77.2 | Confident | 176 Ų | 176 | 148.2 Ų | 148.2 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | trans | -104.8 | 111.8 | 177.9 | -65.2 | 176.2 | -167.8 | 0 | 0 | 109 | ||||
| 34 | F | 74.6 | Confident | 76.3 | Confident | 166 Ų | 166 | 150.1 Ų | 150.1 | 73% | 0.728 | 71% | 0.705 | S | S | * | * | trans | -123.7 | 133.1 | 169.1 | 63.2 | -85.7 | 0 | 0 | 0 | 108 | I36 | F34-I36 HydrophobicContact CD2-CG1 4.41Å; F34-I36 HydrophobicContact CE2-CD1 4.38Å; F34-I36 HydrophobicContact CE2-CG1 4.42Å | ||
| 35 | S | 72.8 | Confident | 75.6 | Confident | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -104.4 | 129.3 | 170.1 | 85.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 36 | I | 74.9 | Confident | 74.9 | Confident | 92 Ų | 92 | 147.2 Ų | 147.2 | 47% | 0.472 | 71% | 0.713 | S | S | . | * | trans | -74.6 | 136.3 | 171 | -67.6 | 156.7 | 0 | 0 | 0 | 107.4 | F34 P38 L42 | F34-I36 HydrophobicContact CD2-CG1 4.41Å; F34-I36 HydrophobicContact CE2-CD1 4.38Å; F34-I36 HydrophobicContact CE2-CG1 4.42Å; I36-P38 VanDerWaalsContact O-CD 3.3Å; I36-P38 WeakPolarHBondContact O-CD 3.2Å; I36-P38 VanDerWaalsContact O-N 3.11Å; I36-L42 HydrophobicContact CB-CD1 4.21Å; I36-L42 HydrophobicContact CD1-CD1 3.54Å; I36-L42 HydrophobicContact CG1-CD1 3.83Å; I36-L42 HydrophobicContact CG2-CD1 3.37Å; I36-L42 HydrophobicContact CG2-CD2 4.22Å; I36-L42 HydrophobicContact CG2-CG 3.6Å | ||
| 37 | N | 75.6 | Confident | 74.6 | Confident | 72 Ų | 72 | 142.9 Ų | 142.9 | 39% | 0.385 | 70% | 0.704 | S | S | . | * | trans | -59.2 | 115.8 | 178.1 | 179.8 | -9.8 | 0 | 0 | 0 | 110.1 | Y39 R40 | N37-Y39 PolarHBondContact O-N 3.04Å; N37-Y39 VanDerWaalsContact O-N 3.16Å; N37-Y39 PolarHBondContact OD1-N 3.07Å; N37-R40 HydrophobicContact CB-CB 4.29Å; N37-R40 HydrophobicContact CB-CG 4.5Å; N37-R40 PolarHBondContact O-N 3.26Å; N37-R40 VanDerWaalsContact O-N 3.17Å | ||
| 38 | P | 74.8 | Confident | 75 | Confident | 108 Ų | 108 | 142.4 Ų | 142.4 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -17.5 | -174.5 | 27.3 | -34.6 | 0 | 0 | 0 | 113.4 | I36 | I36-P38 VanDerWaalsContact O-CD 3.3Å; I36-P38 WeakPolarHBondContact O-CD 3.2Å; I36-P38 VanDerWaalsContact O-N 3.11Å |
| 39 | Y | 79.6 | Confident | 74.9 | Confident | 210 Ų | 210 | 141.2 Ų | 141.2 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -0.6 | -179.7 | -56.1 | -72.3 | 0 | 0 | 0 | 113.5 | N37 | N37-Y39 PolarHBondContact O-N 3.04Å; N37-Y39 VanDerWaalsContact O-N 3.16Å; N37-Y39 PolarHBondContact OD1-N 3.07Å |
| 40 | R | 72.3 | Confident | 75.2 | Confident | 191 Ų | 191 | 142.3 Ų | 142.3 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -115.2 | 119.1 | 175.8 | -72.4 | -174.3 | 173.2 | -174.5 | -2.6 | 109.2 | N37 L42 | N37-R40 HydrophobicContact CB-CB 4.29Å; N37-R40 HydrophobicContact CB-CG 4.5Å; N37-R40 PolarHBondContact O-N 3.26Å; N37-R40 VanDerWaalsContact O-N 3.17Å; R40-L42 PolarHBondContact O-N 2.97Å; R40-L42 VanDerWaalsContact O-N 3.08Å |
| 41 | K | 67.1 | Low | 75.3 | Confident | 207 Ų | 207 | 137.9 Ų | 137.9 | 90% | 0.9 | 70% | 0.702 | S | S | * | * | trans | -63.2 | 111.8 | 171.8 | -67.8 | -175.5 | 179.7 | -177.5 | 0 | 108.2 | ||||
| 42 | L | 66.8 | Low | 75.4 | Confident | 114 Ų | 114 | 137.1 Ų | 137.1 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | trans | -64 | 142.3 | 164.3 | -74.6 | -178.6 | 0 | 0 | 0 | 108.5 | I36 R40 V44 | I36-L42 HydrophobicContact CB-CD1 4.21Å; I36-L42 HydrophobicContact CD1-CD1 3.54Å; I36-L42 HydrophobicContact CG1-CD1 3.83Å; I36-L42 HydrophobicContact CG2-CD1 3.37Å; I36-L42 HydrophobicContact CG2-CD2 4.22Å; I36-L42 HydrophobicContact CG2-CG 3.6Å; R40-L42 PolarHBondContact O-N 2.97Å; R40-L42 VanDerWaalsContact O-N 3.08Å; L42-V44 PolarHBondContact O-N 3.16Å | ||
| 43 | H | 70.4 | Confident | 75.5 | Confident | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -59.2 | 133.3 | 170.8 | -68.5 | -143.8 | 0 | 0 | 0 | 107 | L45 | H43-L45 VanDerWaalsContact C-N 3.29Å; H43-L45 PolarHBondContact O-N 3.37Å | ||
| 44 | V | 71.6 | Confident | 75.3 | Confident | 142 Ų | 142 | 134.9 Ų | 134.9 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | trans | -62.4 | 99.4 | 172 | -179.9 | 0 | 0 | 0 | 0 | 106.1 | L42 P46 | L42-V44 PolarHBondContact O-N 3.16Å; V44-P46 VanDerWaalsContact O-CD 3.27Å; V44-P46 WeakPolarHBondContact O-CD 3.32Å | ||
| 45 | L | 73.5 | Confident | 75.4 | Confident | 150 Ų | 150 | 132.9 Ų | 132.9 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -75.3 | 113.5 | 173.8 | -69.5 | 178.8 | 0 | 0 | 0 | 105.9 | H43 | H43-L45 VanDerWaalsContact C-N 3.29Å; H43-L45 PolarHBondContact O-N 3.37Å | ||
| 46 | P | 72 | Confident | 75.4 | Confident | 112 Ų | 112 | 135 Ų | 135 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148 | 173.5 | 28.7 | -33.9 | 0 | 0 | 0 | 108.3 | V44 | V44-P46 VanDerWaalsContact O-CD 3.27Å; V44-P46 WeakPolarHBondContact O-CD 3.32Å |
| 47 | D | 78.1 | Confident | 75.2 | Confident | 99 Ų | 99 | 136.5 Ų | 136.5 | 53% | 0.529 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 159.2 | 171.7 | -90.4 | -32.9 | 0 | 0 | 0 | 111.1 | C51 K53 | D47-C51 HydrophobicContact CB-CB 4.42Å; D47-K53 IonicContact OD1-NZ 2.75Å; D47-K53 PolarHBondContact OD1-NZ 3.3Å; D47-K53 WeakPolarHBondContact OD2-CD 3.2Å; D47-K53 IonicContact OD2-NZ 3.06Å; D47-K53 PolarHBondContact OD2-NZ 3.45Å |
| 48 | K | 85.6 | Confident | 74.9 | Confident | 168 Ų | 168 | 139.1 Ų | 139.1 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 134.8 | 174.3 | -67 | 176.9 | 179.8 | 177.7 | 0 | 108.7 | M50 C51 | K48-M50 PolarHBondContact O-N 2.97Å; K48-C51 HydrophobicContact CB-CB 4.26Å; K48-C51 WeakPolarHBondContact O-CB 3.32Å; K48-C51 PolarHBondContact O-N 3.5Å |
| 49 | P | 77.4 | Confident | 74.9 | Confident | 134 Ų | 134 | 139.3 Ų | 139.3 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -23.3 | -174.5 | 21.9 | -33.2 | 0 | 0 | 0 | 113.7 | ||
| 50 | M | 81.8 | Confident | 74.8 | Confident | 176 Ų | 176 | 136.9 Ų | 136.9 | 87% | 0.867 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 20.4 | 177.8 | -60.4 | -60.9 | -67.7 | 0 | 0 | 112.8 | K48 S52 | K48-M50 PolarHBondContact O-N 2.97Å; M50-S52 PolarHBondContact O-N 2.81Å |
| 51 | C | 79.2 | Confident | 75.5 | Confident | 54 Ų | 54 | 132 Ų | 132 | 37% | 0.365 | 72% | 0.724 | S | S | . | * | trans | -70 | 114.7 | -179.8 | -161.3 | 0 | 0 | 0 | 0 | 110.1 | D47 K48 K53 | D47-C51 HydrophobicContact CB-CB 4.42Å; K48-C51 HydrophobicContact CB-CB 4.26Å; K48-C51 WeakPolarHBondContact O-CB 3.32Å; K48-C51 PolarHBondContact O-N 3.5Å; C51-K53 PolarHBondContact O-N 3.35Å; C51-K53 VanDerWaalsContact SG-CD 3.51Å; C51-K53 WeakPolarHBondContact SG-CE 3.36Å; C51-K53 WeakPolarHBondContact SG-CG 3.26Å | ||
| 52 | S | 78.8 | Confident | 76.6 | Confident | 126 Ų | 126 | 126.7 Ų | 126.7 | 88% | 0.881 | 71% | 0.709 | S | S | * | * | trans | -78.5 | 51.6 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 111 | M50 | M50-S52 PolarHBondContact O-N 2.81Š| ||
| 53 | K | 78.1 | Confident | 77.8 | Confident | 119 Ų | 119 | 125.8 Ų | 125.8 | 52% | 0.517 | 71% | 0.709 | S | S | . | * | P | Polyproline II helix | trans | -82.5 | 138 | 168.9 | -79 | 169.2 | -172.8 | -177.7 | 0 | 107.9 | D47 C51 | D47-K53 IonicContact OD1-NZ 2.75Å; D47-K53 PolarHBondContact OD1-NZ 3.3Å; D47-K53 WeakPolarHBondContact OD2-CD 3.2Å; D47-K53 IonicContact OD2-NZ 3.06Å; D47-K53 PolarHBondContact OD2-NZ 3.45Å; C51-K53 PolarHBondContact O-N 3.35Å; C51-K53 VanDerWaalsContact SG-CD 3.51Å; C51-K53 WeakPolarHBondContact SG-CE 3.36Å; C51-K53 WeakPolarHBondContact SG-CG 3.26Å |
| 54 | P | 77.2 | Confident | 78.7 | Confident | 114 Ų | 114 | 125.2 Ų | 125.2 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 141.7 | 169.3 | 26.7 | -32.6 | 0 | 0 | 0 | 108.3 | E56 | P54-E56 PolarHBondContact O-N 2.9Å; P54-E56 VanDerWaalsContact O-N 3.17Å |
| 55 | P | 75.4 | Confident | 79.7 | Confident | 124 Ų | 124 | 120.5 Ų | 120.5 | 81% | 0.805 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 125.6 | 176.4 | 24.3 | -32.3 | 0 | 0 | 0 | 108.4 | S57 | P55-S57 PolarHBondContact O-N 3.41Š|
| 56 | E | 73.6 | Confident | 80.7 | Confident | 161 Ų | 161 | 117.4 Ų | 117.4 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 125.1 | 174 | -170.7 | 169.9 | -170.8 | 0 | 0 | 107.9 | P54 L58 | P54-E56 PolarHBondContact O-N 2.9Å; P54-E56 VanDerWaalsContact O-N 3.17Å; E56-L58 HydrophobicContact CB-CG 4.42Å; E56-L58 HydrophobicContact CG-CD2 3.99Å; E56-L58 HydrophobicContact CG-CG 4.25Å; E56-L58 PolarHBondContact O-N 3.18Å |
| 57 | S | 69.8 | Low | 81.7 | Confident | 122 Ų | 122 | 114.6 Ų | 114.6 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | trans | -73.8 | 73 | 179.1 | 64.3 | 0 | 0 | 0 | 0 | 109.3 | P55 S59 | P55-S57 PolarHBondContact O-N 3.41Å; S57-S59 PolarHBondContact O-N 3Å | ||
| 58 | L | 70.4 | Confident | 82.5 | Confident | 127 Ų | 127 | 114.8 Ų | 114.8 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.3 | 171.3 | -62.1 | 176.4 | 0 | 0 | 0 | 107.6 | E56 E60 | E56-L58 HydrophobicContact CB-CG 4.42Å; E56-L58 HydrophobicContact CG-CD2 3.99Å; E56-L58 HydrophobicContact CG-CG 4.25Å; E56-L58 PolarHBondContact O-N 3.18Å; L58-E60 PolarHBondContact O-N 3.22Å |
| 59 | S | 74.5 | Confident | 83 | Confident | 113 Ų | 113 | 114 Ų | 114 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.9 | 168.7 | 54.3 | 0 | 0 | 0 | 0 | 108.3 | S57 D61 | S57-S59 PolarHBondContact O-N 3Å; S59-D61 PolarHBondContact O-N 3.3Å; S59-D61 VanDerWaalsContact O-N 3.13Å |
| 60 | E | 78.3 | Confident | 83.7 | Confident | 158 Ų | 158 | 115.3 Ų | 115.3 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 121 | -179.6 | -69.8 | -176.4 | -178.6 | 0 | 0 | 110.7 | L58 T62 I65 | L58-E60 PolarHBondContact O-N 3.22Å; E60-T62 PolarHBondContact O-N 3.26Å; E60-I65 HydrophobicContact CB-CD1 3.87Å; E60-I65 HydrophobicContact CG-CD1 4.47Å |
| 61 | D | 86.1 | Confident | 84.2 | Confident | 90 Ų | 90 | 112.3 Ų | 112.3 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | trans | -72.1 | 97.1 | 176 | -174 | -4.4 | 0 | 0 | 0 | 109 | S59 T63 Y64 I65 | S59-D61 PolarHBondContact O-N 3.3Å; S59-D61 VanDerWaalsContact O-N 3.13Å; D61-T63 VanDerWaalsContact CG-OG1 3.25Å; D61-T63 PolarHBondContact O-N 3.48Å; D61-T63 VanDerWaalsContact O-N 3.16Å; D61-T63 WeakPolarHBondContact OD1-CB 3.28Å; D61-T63 PolarHBondContact OD1-N 3.43Å; D61-T63 PolarHBondContact OD1-OG1 3.13Å; D61-T63 PolarHBondContact OD2-OG1 3.11Å; D61-Y64 WeakPolarHBondContact O-CB 3.32Å; D61-Y64 PolarHBondContact O-N 3.11Å; D61-I65 PolarHBondContact O-N 3Å; D61-I65 VanDerWaalsContact O-N 3.09Å | ||
| 62 | T | 89.3 | Confident | 84.9 | Confident | 95 Ų | 95 | 118.7 Ų | 118.7 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -54 | -32.5 | 178.4 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | E60 I65 D66 | E60-T62 PolarHBondContact O-N 3.26Å; T62-I65 PolarHBondContact O-N 3.09Å; T62-D66 WeakPolarHBondContact O-CB 3.45Å; T62-D66 PolarHBondContact O-N 2.88Å |
| 63 | T | 92.1 | Very high | 85.5 | Confident | 95 Ų | 95 | 117.3 Ų | 117.3 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -40 | 179.8 | 74 | 0 | 0 | 0 | 0 | 111.4 | D61 A67 | D61-T63 VanDerWaalsContact CG-OG1 3.25Å; D61-T63 PolarHBondContact O-N 3.48Å; D61-T63 VanDerWaalsContact O-N 3.16Å; D61-T63 WeakPolarHBondContact OD1-CB 3.28Å; D61-T63 PolarHBondContact OD1-N 3.43Å; D61-T63 PolarHBondContact OD1-OG1 3.13Å; D61-T63 PolarHBondContact OD2-OG1 3.11Å; T63-A67 VanDerWaalsContact O-CB 3.32Å; T63-A67 WeakPolarHBondContact O-CB 3.3Å; T63-A67 PolarHBondContact O-N 2.78Å |
| 64 | Y | 90.4 | Very high | 86.1 | Confident | 150 Ų | 150 | 113.8 Ų | 113.8 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.9 | -44.9 | 175.2 | 176.5 | -98.3 | 0 | 0 | 0 | 111.3 | D61 D66 A67 Y68 | D61-Y64 WeakPolarHBondContact O-CB 3.32Å; D61-Y64 PolarHBondContact O-N 3.11Å; Y64-D66 VanDerWaalsContact C-N 3.31Å; Y64-D66 PolarHBondContact O-N 3.28Å; Y64-A67 PolarHBondContact O-N 3.2Å; Y64-Y68 VanDerWaalsContact O-CB 3.3Å; Y64-Y68 WeakPolarHBondContact O-CB 3.35Å; Y64-Y68 PolarHBondContact O-N 3.31Å |
| 65 | I | 92.2 | Very high | 86.7 | Confident | 43 Ų | 43 | 111.1 Ų | 111.1 | 22% | 0.221 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -60.3 | -43.6 | 179.4 | -67.9 | 171.2 | 0 | 0 | 0 | 110.6 | E60 D61 T62 Y68 R69 | E60-I65 HydrophobicContact CB-CD1 3.87Å; E60-I65 HydrophobicContact CG-CD1 4.47Å; D61-I65 PolarHBondContact O-N 3Å; D61-I65 VanDerWaalsContact O-N 3.09Å; T62-I65 PolarHBondContact O-N 3.09Å; I65-Y68 WeakPolarHBondContact O-CB 3.33Å; I65-Y68 PolarHBondContact O-N 3.45Å; I65-R69 WeakPolarHBondContact O-CB 3.36Å; I65-R69 VanDerWaalsContact O-CG 3.24Å; I65-R69 WeakPolarHBondContact O-CG 3.47Å; I65-R69 PolarHBondContact O-N 3.41Å |
| 66 | D | 94.1 | Very high | 87.3 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 46% | 0.46 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.3 | -37.6 | 179.7 | -71.2 | -18.7 | 0 | 0 | 0 | 112.2 | T62 Y64 Y68 R69 R70 | T62-D66 WeakPolarHBondContact O-CB 3.45Å; T62-D66 PolarHBondContact O-N 2.88Å; Y64-D66 VanDerWaalsContact C-N 3.31Å; Y64-D66 PolarHBondContact O-N 3.28Å; D66-Y68 VanDerWaalsContact C-N 3.34Å; D66-Y68 PolarHBondContact O-N 3.3Å; D66-R69 PolarHBondContact O-N 3.02Å; D66-R69 IonicContact OD1-NH1 2.77Å; D66-R69 PolarHBondContact OD1-NH1 2.89Å; D66-R70 VanDerWaalsContact O-CB 3.28Å; D66-R70 WeakPolarHBondContact O-CB 3.49Å; D66-R70 PolarHBondContact O-N 3.3Å |
| 67 | A | 94.4 | Very high | 88.1 | Confident | 52 Ų | 52 | 106.5 Ų | 106.5 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -44.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T63 Y64 R70 V71 | T63-A67 VanDerWaalsContact O-CB 3.32Å; T63-A67 WeakPolarHBondContact O-CB 3.3Å; T63-A67 PolarHBondContact O-N 2.78Å; Y64-A67 PolarHBondContact O-N 3.2Å; A67-R70 PolarHBondContact O-N 3.26Å; A67-V71 WeakPolarHBondContact O-CG2 3.39Å; A67-V71 PolarHBondContact O-N 3.47Å |
| 68 | Y | 94.9 | Very high | 89.2 | Confident | 103 Ų | 103 | 104.4 Ų | 104.4 | 40% | 0.404 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 178 | -178.6 | -99.2 | 0 | 0 | 0 | 111.8 | Y64 I65 D66 R70 V71 R72 | Y64-Y68 VanDerWaalsContact O-CB 3.3Å; Y64-Y68 WeakPolarHBondContact O-CB 3.35Å; Y64-Y68 PolarHBondContact O-N 3.31Å; I65-Y68 WeakPolarHBondContact O-CB 3.33Å; I65-Y68 PolarHBondContact O-N 3.45Å; D66-Y68 VanDerWaalsContact C-N 3.34Å; D66-Y68 PolarHBondContact O-N 3.3Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.49Å; Y68-V71 PolarHBondContact O-N 2.94Å; Y68-R72 HydrophobicContact CE1-CG 4.46Å; Y68-R72 PolarHBondContact O-N 3.19Å; Y68-R72 PolarHBondContact OH-NE 2.75Å; Y68-R72 VanDerWaalsContact OH-NE 3.11Å; Y68-R72 PolarHBondContact OH-NH2 2.77Å; Y68-R72 VanDerWaalsContact OH-NH2 3.11Å |
| 69 | R | 94.5 | Very high | 90.2 | Very high | 152 Ų | 152 | 101.8 Ų | 101.8 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.5 | -48.2 | 174.5 | -74.6 | 168.3 | 179.2 | 165.6 | -1.7 | 110.6 | I65 D66 V71 R72 M73 | I65-R69 WeakPolarHBondContact O-CB 3.36Å; I65-R69 VanDerWaalsContact O-CG 3.24Å; I65-R69 WeakPolarHBondContact O-CG 3.47Å; I65-R69 PolarHBondContact O-N 3.41Å; D66-R69 PolarHBondContact O-N 3.02Å; D66-R69 IonicContact OD1-NH1 2.77Å; D66-R69 PolarHBondContact OD1-NH1 2.89Å; R69-V71 VanDerWaalsContact C-N 3.3Å; R69-V71 PolarHBondContact O-N 3Å; R69-R72 PolarHBondContact O-N 3.25Å; R69-R72 VanDerWaalsContact O-N 3.11Å; R69-M73 WeakPolarHBondContact O-CG 3.48Å; R69-M73 PolarHBondContact O-N 3.17Å |
| 70 | R | 93.8 | Very high | 91.1 | Very high | 162 Ų | 162 | 102.6 Ų | 102.6 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.5 | -34.8 | 179.2 | -173.2 | 177.5 | -175.4 | -173.3 | 1.1 | 113.5 | D66 A67 Y68 | D66-R70 VanDerWaalsContact O-CB 3.28Å; D66-R70 WeakPolarHBondContact O-CB 3.49Å; D66-R70 PolarHBondContact O-N 3.3Å; A67-R70 PolarHBondContact O-N 3.26Å; Y68-R70 VanDerWaalsContact C-N 3.32Å; Y68-R70 PolarHBondContact O-N 3.49Å |
| 71 | V | 92.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 102.2 Ų | 102.2 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -34.7 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | A67 Y68 R69 M73 | A67-V71 WeakPolarHBondContact O-CG2 3.39Å; A67-V71 PolarHBondContact O-N 3.47Å; Y68-V71 PolarHBondContact O-N 2.94Å; R69-V71 VanDerWaalsContact C-N 3.3Å; R69-V71 PolarHBondContact O-N 3Å; V71-M73 VanDerWaalsContact C-N 3.35Å |
| 72 | R | 93.4 | Very high | 92.1 | Very high | 187 Ų | 187 | 99.5 Ų | 99.5 | 71% | 0.706 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.6 | -17.5 | 178 | -84.2 | -175.3 | 156.6 | -171.7 | -3.2 | 114.6 | Y68 R69 | Y68-R72 HydrophobicContact CE1-CG 4.46Å; Y68-R72 PolarHBondContact O-N 3.19Å; Y68-R72 PolarHBondContact OH-NE 2.75Å; Y68-R72 VanDerWaalsContact OH-NE 3.11Å; Y68-R72 PolarHBondContact OH-NH2 2.77Å; Y68-R72 VanDerWaalsContact OH-NH2 3.11Å; R69-R72 PolarHBondContact O-N 3.25Å; R69-R72 VanDerWaalsContact O-N 3.11Å |
| 73 | M | 91.4 | Very high | 92.4 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -62.2 | 144.8 | 177.6 | -67.8 | -63.4 | -77.6 | 0 | 0 | 111.2 | R69 V71 L77 | R69-M73 WeakPolarHBondContact O-CG 3.48Å; R69-M73 PolarHBondContact O-N 3.17Å; V71-M73 VanDerWaalsContact C-N 3.35Å; M73-L77 HydrophobicContact CE-CB 3.86Å; M73-L77 HydrophobicContact CE-CD1 3.51Å; M73-L77 HydrophobicContact CE-CG 4.32Å |
| 74 | A | 89.4 | Confident | 92.5 | Very high | 45 Ų | 45 | 98.5 Ų | 98.5 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | trans | -59.9 | 144.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S76 L77 K78 | A74-S76 PolarHBondContact O-N 2.88Å; A74-L77 HydrophobicContact CB-CD1 4.39Å; A74-L77 HydrophobicContact CB-CG 4.44Å; A74-L77 PolarHBondContact O-N 3.01Å; A74-K78 PolarHBondContact O-N 2.82Å | ||
| 75 | P | 91.2 | Very high | 92.7 | Very high | 58 Ų | 58 | 99 Ų | 99 | 38% | 0.377 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -53.3 | -37.9 | 179.8 | -29.9 | 36.9 | 0 | 0 | 0 | 114.3 | L77 K78 Y79 Q87 W91 | P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 3.35Å; P75-K78 PolarHBondContact O-N 3.08Å; P75-Y79 PolarHBondContact O-N 3.17Å; P75-Q87 HydrophobicContact CB-CG 4.42Å; P75-W91 VanDerWaalsContact C-CH2 3.48Å; P75-W91 HydrophobicContact CB-CH2 4.04Å; P75-W91 HydrophobicContact CB-CZ3 3.55Å; P75-W91 WeakPolarHBondContact O-CH2 3.32Å |
| 76 | S | 88.4 | Confident | 92.6 | Very high | 63 Ų | 63 | 101.2 Ų | 101.2 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -26.6 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | A74 | A74-S76 PolarHBondContact O-N 2.88Å |
| 77 | L | 89.9 | Confident | 92.5 | Very high | 125 Ų | 125 | 99.4 Ų | 99.4 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -85.9 | -20.7 | 174.9 | -60.3 | 176.6 | 0 | 0 | 0 | 111.9 | M73 A74 P75 | M73-L77 HydrophobicContact CE-CB 3.86Å; M73-L77 HydrophobicContact CE-CD1 3.51Å; M73-L77 HydrophobicContact CE-CG 4.32Å; A74-L77 HydrophobicContact CB-CD1 4.39Å; A74-L77 HydrophobicContact CB-CG 4.44Å; A74-L77 PolarHBondContact O-N 3.01Å; P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 3.35Å |
| 78 | K | 91.7 | Very high | 92.4 | Very high | 79 Ų | 79 | 102.8 Ų | 102.8 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -90.9 | -31.6 | -176.8 | -172 | 176.4 | 177.4 | -163.4 | 0 | 112.7 | A74 P75 | A74-K78 PolarHBondContact O-N 2.82Å; P75-K78 PolarHBondContact O-N 3.08Å |
| 79 | Y | 92.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 104.8 Ų | 104.8 | 28% | 0.282 | 53% | 0.527 | S | S | . | . | trans | -133.2 | 146.2 | -173.9 | -54.4 | -70.9 | 0 | 0 | 0 | 110.9 | P75 K81 I83 W91 | P75-Y79 PolarHBondContact O-N 3.17Å; Y79-K81 VanDerWaalsContact C-N 3.28Å; Y79-K81 PolarHBondContact O-N 2.99Å; Y79-I83 HydrophobicContact CD1-CD1 3.34Å; Y79-I83 HydrophobicContact CD1-CG1 4.44Å; Y79-I83 HydrophobicContact CD2-CD1 3.83Å; Y79-I83 HydrophobicContact CE1-CD1 3.42Å; Y79-I83 VanDerWaalsContact CE1-CD1 3.42Å; Y79-I83 HydrophobicContact CE2-CD1 3.92Å; Y79-I83 HydrophobicContact CG-CD1 3.53Å; Y79-I83 HydrophobicContact CG-CG1 4.26Å; Y79-W91 WeakPolarHBondContact O-CZ2 3.24Å | ||
| 80 | P | 92.1 | Very high | 91.7 | Very high | 129 Ų | 129 | 99.9 Ų | 99.9 | 84% | 0.838 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -72.6 | -21 | 179.6 | 28.7 | -34.7 | 0 | 0 | 0 | 113.3 | ||
| 81 | K | 93.3 | Very high | 91.5 | Very high | 151 Ų | 151 | 93.8 Ų | 93.8 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -146.2 | 155.2 | -178.8 | 61.5 | 178.9 | 178.9 | 176.3 | 0 | 110.1 | Y79 I83 | Y79-K81 VanDerWaalsContact C-N 3.28Å; Y79-K81 PolarHBondContact O-N 2.99Å; K81-I83 PolarHBondContact O-N 3.16Å |
| 82 | P | 94.1 | Very high | 91.2 | Very high | 33 Ų | 33 | 94.3 Ų | 94.3 | 21% | 0.214 | 49% | 0.494 | C | S | . | . | trans | -60.9 | 138.2 | 176 | 25.5 | -32.9 | 0 | 0 | 0 | 109.8 | Q87 E88 W91 | P82-Q87 HydrophobicContact CB-CB 3.86Å; P82-E88 HydrophobicContact CB-CG 3.83Å; P82-E88 HydrophobicContact CG-CB 4.46Å; P82-E88 HydrophobicContact CG-CG 3.73Å; P82-W91 HydrophobicContact CB-CD2 3.86Å; P82-W91 HydrophobicContact CB-CE3 3.72Å; P82-W91 HydrophobicContact CB-CG 4.34Å; P82-W91 HydrophobicContact CB-CH2 4.5Å; P82-W91 HydrophobicContact CB-CZ3 4.04Å; P82-W91 HydrophobicContact CG-CD2 4.18Å; P82-W91 HydrophobicContact CG-CG 4.25Å | ||
| 83 | I | 95.1 | Very high | 90.4 | Very high | 107 Ų | 107 | 89.4 Ų | 89.4 | 55% | 0.549 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -97.7 | -29.1 | -179.8 | -64.9 | 178.4 | 0 | 0 | 0 | 110.9 | Y79 K81 | Y79-I83 HydrophobicContact CD1-CD1 3.34Å; Y79-I83 HydrophobicContact CD1-CG1 4.44Å; Y79-I83 HydrophobicContact CD2-CD1 3.83Å; Y79-I83 HydrophobicContact CE1-CD1 3.42Å; Y79-I83 VanDerWaalsContact CE1-CD1 3.42Å; Y79-I83 HydrophobicContact CE2-CD1 3.92Å; Y79-I83 HydrophobicContact CG-CD1 3.53Å; Y79-I83 HydrophobicContact CG-CG1 4.26Å; K81-I83 PolarHBondContact O-N 3.16Å |
| 84 | T | 93.6 | Very high | 89.5 | Confident | 61 Ų | 61 | 92.4 Ų | 92.4 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -120 | 151.1 | -179.9 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | S86 Q87 E88 | T84-S86 PolarHBondContact O-N 3.14Å; T84-S86 PolarHBondContact OG1-OG 2.93Å; T84-Q87 WeakPolarHBondContact O-CA 3.39Å; T84-Q87 WeakPolarHBondContact O-CB 3.46Å; T84-Q87 PolarHBondContact O-N 3.14Å; T84-Q87 VanDerWaalsContact OG1-CG 3.26Å; T84-Q87 WeakPolarHBondContact OG1-CG 3.14Å; T84-Q87 PolarHBondContact OG1-N 2.88Å; T84-E88 PolarHBondContact O-N 3.5Å |
| 85 | E | 94.2 | Very high | 88.7 | Confident | 162 Ų | 162 | 97.2 Ų | 97.2 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.4 | -38.6 | 176.6 | -62.9 | 176.8 | 175.3 | 0 | 0 | 111.8 | Q87 E88 | E85-Q87 VanDerWaalsContact C-N 3.26Å; E85-Q87 PolarHBondContact O-N 3.14Å; E85-E88 VanDerWaalsContact O-CB 3.32Å; E85-E88 WeakPolarHBondContact O-CB 3.27Å; E85-E88 PolarHBondContact O-N 3.26Å; E85-E88 VanDerWaalsContact O-N 3.13Å |
| 86 | S | 91.2 | Very high | 87.9 | Confident | 89 Ų | 89 | 100.1 Ų | 100.1 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.4 | -26.9 | 176.1 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | T84 | T84-S86 PolarHBondContact O-N 3.14Å; T84-S86 PolarHBondContact OG1-OG 2.93Å |
| 87 | Q | 92.2 | Very high | 87.3 | Confident | 47 Ų | 47 | 102.2 Ų | 102.2 | 22% | 0.22 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -79.1 | -25.3 | 175.3 | -76.2 | 172.8 | 5.6 | 0 | 0 | 111.9 | P75 P82 T84 E85 I89 W91 | P75-Q87 HydrophobicContact CB-CG 4.42Å; P82-Q87 HydrophobicContact CB-CB 3.86Å; T84-Q87 WeakPolarHBondContact O-CA 3.39Å; T84-Q87 WeakPolarHBondContact O-CB 3.46Å; T84-Q87 PolarHBondContact O-N 3.14Å; T84-Q87 VanDerWaalsContact OG1-CG 3.26Å; T84-Q87 WeakPolarHBondContact OG1-CG 3.14Å; T84-Q87 PolarHBondContact OG1-N 2.88Å; E85-Q87 VanDerWaalsContact C-N 3.26Å; E85-Q87 PolarHBondContact O-N 3.14Å; Q87-I89 PolarHBondContact O-N 3.28Å; Q87-W91 HydrophobicContact CB-CE3 3.96Å; Q87-W91 HydrophobicContact CB-CZ3 3.9Å; Q87-W91 HydrophobicContact CG-CZ3 4.32Å; Q87-W91 WeakPolarHBondContact O-CB 3.33Å |
| 88 | E | 91.3 | Very high | 86.7 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.5 | -35.8 | 175.2 | -58.4 | -175.8 | 161.8 | 0 | 0 | 110.7 | P82 T84 E85 G90 W91 | P82-E88 HydrophobicContact CB-CG 3.83Å; P82-E88 HydrophobicContact CG-CB 4.46Å; P82-E88 HydrophobicContact CG-CG 3.73Å; T84-E88 PolarHBondContact O-N 3.5Å; E85-E88 VanDerWaalsContact O-CB 3.32Å; E85-E88 WeakPolarHBondContact O-CB 3.27Å; E85-E88 PolarHBondContact O-N 3.26Å; E85-E88 VanDerWaalsContact O-N 3.13Å; E88-G90 PolarHBondContact O-N 3.07Å; E88-W91 PolarHBondContact O-N 3.15Å |
| 89 | I | 89.6 | Confident | 85.9 | Confident | 145 Ų | 145 | 105.7 Ų | 105.7 | 74% | 0.744 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 107.2 | 175 | -53.3 | 175.8 | 0 | 0 | 0 | 109.3 | Q87 | Q87-I89 PolarHBondContact O-N 3.28Š|
| 90 | G | 84.8 | Confident | 85.4 | Confident | 49 Ų | 49 | 107 Ų | 107 | 51% | 0.505 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 81.9 | 17.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E88 F92 V93 | E88-G90 PolarHBondContact O-N 3.07Å; G90-F92 VanDerWaalsContact C-N 3.27Å; G90-F92 PolarHBondContact O-N 2.99Å; G90-V93 WeakPolarHBondContact O-CG2 3.3Å |
| 91 | W | 90.8 | Very high | 85 | Confident | 34 Ų | 34 | 108.9 Ų | 108.9 | 13% | 0.129 | 57% | 0.569 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.6 | -37.5 | 173.4 | -163.1 | -99.2 | 0 | 0 | 0 | 112.5 | P75 Y79 P82 Q87 E88 | P75-W91 VanDerWaalsContact C-CH2 3.48Å; P75-W91 HydrophobicContact CB-CH2 4.04Å; P75-W91 HydrophobicContact CB-CZ3 3.55Å; P75-W91 WeakPolarHBondContact O-CH2 3.32Å; Y79-W91 WeakPolarHBondContact O-CZ2 3.24Å; P82-W91 HydrophobicContact CB-CD2 3.86Å; P82-W91 HydrophobicContact CB-CE3 3.72Å; P82-W91 HydrophobicContact CB-CG 4.34Å; P82-W91 HydrophobicContact CB-CH2 4.5Å; P82-W91 HydrophobicContact CB-CZ3 4.04Å; P82-W91 HydrophobicContact CG-CD2 4.18Å; P82-W91 HydrophobicContact CG-CG 4.25Å; Q87-W91 HydrophobicContact CB-CE3 3.96Å; Q87-W91 HydrophobicContact CB-CZ3 3.9Å; Q87-W91 HydrophobicContact CG-CZ3 4.32Å; Q87-W91 WeakPolarHBondContact O-CB 3.33Å; E88-W91 PolarHBondContact O-N 3.15Å |
| 92 | F | 85.8 | Confident | 84.6 | Confident | 124 Ų | 124 | 109.6 Ų | 109.6 | 54% | 0.544 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.5 | 35.4 | -176.5 | -57.7 | -73 | 0 | 0 | 0 | 113.7 | G90 N94 E95 | G90-F92 VanDerWaalsContact C-N 3.27Å; G90-F92 PolarHBondContact O-N 2.99Å; F92-N94 PolarHBondContact O-N 3.47Å; F92-E95 HydrophobicContact CB-CB 4.4Å; F92-E95 HydrophobicContact CB-CG 4.34Å; F92-E95 VanDerWaalsContact CD1-OE1 3.31Å; F92-E95 WeakPolarHBondContact CD1-OE1 3.45Å; F92-E95 PolarHBondContact O-N 2.96Å; F92-E95 VanDerWaalsContact O-N 3.1Å |
| 93 | V | 76.2 | Confident | 84.3 | Confident | 84 Ų | 84 | 109 Ų | 109 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -58.4 | -33.1 | -176.1 | 167.4 | 0 | 0 | 0 | 0 | 113.3 | G90 E95 L96 | G90-V93 WeakPolarHBondContact O-CG2 3.3Å; V93-E95 VanDerWaalsContact C-N 3.31Å; V93-E95 PolarHBondContact O-N 3.12Å; V93-L96 PolarHBondContact O-N 2.87Å |
| 94 | N | 71.9 | Confident | 83.8 | Confident | 161 Ų | 161 | 108.5 Ų | 108.5 | 86% | 0.861 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -77.8 | -14.3 | -178.3 | -63.7 | -21.8 | 0 | 0 | 0 | 113.7 | F92 L96 | F92-N94 PolarHBondContact O-N 3.47Å; N94-L96 VanDerWaalsContact C-N 3.31Å |
| 95 | E | 73.9 | Confident | 83.5 | Confident | 145 Ų | 145 | 113.9 Ų | 113.9 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -85.8 | -8.7 | 177.4 | -61.4 | 179.9 | -177.8 | 0 | 0 | 112.2 | F92 V93 | F92-E95 HydrophobicContact CB-CB 4.4Å; F92-E95 HydrophobicContact CB-CG 4.34Å; F92-E95 VanDerWaalsContact CD1-OE1 3.31Å; F92-E95 WeakPolarHBondContact CD1-OE1 3.45Å; F92-E95 PolarHBondContact O-N 2.96Å; F92-E95 VanDerWaalsContact O-N 3.1Å; V93-E95 VanDerWaalsContact C-N 3.31Å; V93-E95 PolarHBondContact O-N 3.12Å |
| 96 | L | 73.1 | Confident | 83 | Confident | 119 Ų | 119 | 113.9 Ų | 113.9 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -65.3 | 135 | 173.9 | -66.6 | 170.3 | 0 | 0 | 0 | 109.1 | V93 N94 | V93-L96 PolarHBondContact O-N 2.87Å; N94-L96 VanDerWaalsContact C-N 3.31Å |
| 97 | P | 77.1 | Confident | 82.9 | Confident | 108 Ų | 108 | 112.3 Ų | 112.3 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.6 | 175.8 | 22.5 | -31.5 | 0 | 0 | 0 | 109 | Q99 | P97-Q99 PolarHBondContact O-N 3.03Š|
| 98 | P | 75.7 | Confident | 82.7 | Confident | 129 Ų | 129 | 117.7 Ų | 117.7 | 84% | 0.838 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 118.7 | -179.7 | 22.7 | -32.5 | 0 | 0 | 0 | 108.5 | D100 | P98-D100 PolarHBondContact O-N 2.76Š|
| 99 | Q | 75.1 | Confident | 82.6 | Confident | 148 Ų | 148 | 115 Ų | 115 | 69% | 0.692 | 59% | 0.585 | S | S | * | * | trans | -73.4 | 101 | 179.8 | -168.8 | -177.3 | 19 | 0 | 0 | 108.2 | P97 R101 | P97-Q99 PolarHBondContact O-N 3.03Å; Q99-R101 PolarHBondContact O-N 3.31Å | ||
| 100 | D | 83.3 | Confident | 82.5 | Confident | 99 Ų | 99 | 120.1 Ų | 120.1 | 53% | 0.529 | 60% | 0.596 | S | S | . | * | trans | -68.9 | 99 | 173.7 | -172.8 | 2.4 | 0 | 0 | 0 | 109.7 | P98 Q102 D103 | P98-D100 PolarHBondContact O-N 2.76Å; D100-Q102 PolarHBondContact O-N 3.22Å; D100-Q102 WeakPolarHBondContact OD1-CA 3.39Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.15Å; D100-Q102 PolarHBondContact OD1-N 2.98Å; D100-D103 HydrophobicContact CB-CB 4.31Å; D100-D103 PolarHBondContact O-N 3.31Å; D100-D103 PolarHBondContact OD1-N 2.98Å | ||
| 101 | R | 82.5 | Confident | 82.6 | Confident | 168 Ų | 168 | 128 Ų | 128 | 63% | 0.634 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -5.4 | 175.7 | -67.8 | -175.9 | 174.3 | 179.2 | -0.4 | 112.5 | Q99 N107 | Q99-R101 PolarHBondContact O-N 3.31Å; R101-N107 PolarHBondContact O-ND2 3.08Å |
| 102 | Q | 84.6 | Confident | 82.5 | Confident | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -15 | 174.2 | -54.5 | -57 | -24.1 | 0 | 0 | 112.1 | D100 P104 | D100-Q102 PolarHBondContact O-N 3.22Å; D100-Q102 WeakPolarHBondContact OD1-CA 3.39Å; D100-Q102 WeakPolarHBondContact OD1-CB 3.15Å; D100-Q102 PolarHBondContact OD1-N 2.98Å; Q102-P104 WeakPolarHBondContact O-CD 3.42Å |
| 103 | D | 87.8 | Confident | 82.5 | Confident | 19 Ų | 19 | 131.8 Ų | 131.8 | 10% | 0.102 | 63% | 0.633 | C | S | . | * | trans | -68.9 | 110.9 | 177.5 | -168 | -20.8 | 0 | 0 | 0 | 110.9 | D100 R105 F106 N107 | D100-D103 HydrophobicContact CB-CB 4.31Å; D100-D103 PolarHBondContact O-N 3.31Å; D100-D103 PolarHBondContact OD1-N 2.98Å; D103-R105 PolarHBondContact O-N 3.22Å; D103-R105 WeakPolarHBondContact OD1-CB 3.23Å; D103-R105 VanDerWaalsContact OD1-CG 3.28Å; D103-R105 WeakPolarHBondContact OD1-CG 3.3Å; D103-R105 IonicContact OD1-CZ 3.98Å; D103-R105 PolarHBondContact OD1-N 3.37Å; D103-R105 IonicContact OD1-NE 3.05Å; D103-R105 PolarHBondContact OD1-NE 3.07Å; D103-R105 IonicContact OD2-CZ 3.3Å; D103-R105 VanDerWaalsContact OD2-CZ 3.3Å; D103-R105 IonicContact OD2-NE 3.08Å; D103-R105 PolarHBondContact OD2-NE 3.48Å; D103-R105 VanDerWaalsContact OD2-NE 3.08Å; D103-R105 IonicContact OD2-NH2 2.71Å; D103-R105 PolarHBondContact OD2-NH2 3.44Å; D103-F106 HydrophobicContact CB-CD2 4.42Å; D103-F106 PolarHBondContact O-N 2.96Å; D103-F106 VanDerWaalsContact OD2-CD2 3.31Å; D103-F106 WeakPolarHBondContact OD2-CD2 3.46Å; D103-N107 WeakPolarHBondContact O-CB 3.3Å; D103-N107 PolarHBondContact O-N 2.74Å | ||
| 104 | P | 85.5 | Confident | 83.1 | Confident | 97 Ų | 97 | 133.5 Ų | 133.5 | 63% | 0.63 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -10.4 | -179.2 | 31.8 | -35.9 | 0 | 0 | 0 | 112.9 | Q102 F108 | Q102-P104 WeakPolarHBondContact O-CD 3.42Å; P104-F108 WeakPolarHBondContact O-CE1 3.5Å; P104-F108 WeakPolarHBondContact O-CZ 2.78Å |
| 105 | R | 87.8 | Confident | 83.7 | Confident | 175 Ų | 175 | 132.3 Ų | 132.3 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -29.2 | 176.8 | -58.3 | 175.7 | -66 | 174.1 | 1.6 | 112.5 | D103 F108 | D103-R105 PolarHBondContact O-N 3.22Å; D103-R105 WeakPolarHBondContact OD1-CB 3.23Å; D103-R105 VanDerWaalsContact OD1-CG 3.28Å; D103-R105 WeakPolarHBondContact OD1-CG 3.3Å; D103-R105 IonicContact OD1-CZ 3.98Å; D103-R105 PolarHBondContact OD1-N 3.37Å; D103-R105 IonicContact OD1-NE 3.05Å; D103-R105 PolarHBondContact OD1-NE 3.07Å; D103-R105 IonicContact OD2-CZ 3.3Å; D103-R105 VanDerWaalsContact OD2-CZ 3.3Å; D103-R105 IonicContact OD2-NE 3.08Å; D103-R105 PolarHBondContact OD2-NE 3.48Å; D103-R105 VanDerWaalsContact OD2-NE 3.08Å; D103-R105 IonicContact OD2-NH2 2.71Å; D103-R105 PolarHBondContact OD2-NH2 3.44Å; R105-F108 WeakPolarHBondContact O-CE2 3.49Å; R105-F108 WeakPolarHBondContact O-CZ 3.5Å |
| 106 | F | 83.3 | Confident | 84.1 | Confident | 162 Ų | 162 | 128.6 Ų | 128.6 | 71% | 0.711 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -20.4 | -174.1 | -61.6 | -65.8 | 0 | 0 | 0 | 113.2 | D103 | D103-F106 HydrophobicContact CB-CD2 4.42Å; D103-F106 PolarHBondContact O-N 2.96Å; D103-F106 VanDerWaalsContact OD2-CD2 3.31Å; D103-F106 WeakPolarHBondContact OD2-CD2 3.46Å |
| 107 | N | 88 | Confident | 84.4 | Confident | 55 Ų | 55 | 127.8 Ų | 127.8 | 29% | 0.294 | 61% | 0.612 | S | S | . | * | trans | -107.5 | 103.5 | -178.6 | -168.2 | 27.6 | 0 | 0 | 0 | 112.7 | R101 D103 P109 | R101-N107 PolarHBondContact O-ND2 3.08Å; D103-N107 WeakPolarHBondContact O-CB 3.3Å; D103-N107 PolarHBondContact O-N 2.74Å; N107-P109 WeakPolarHBondContact O-CD 3.36Å; N107-P109 WeakPolarHBondContact OD1-CD 3.47Å | ||
| 108 | F | 89.1 | Confident | 84.5 | Confident | 160 Ų | 160 | 128.2 Ų | 128.2 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | trans | -115.8 | 65.7 | 175.6 | -55.1 | -77.1 | 0 | 0 | 0 | 111.6 | P104 R105 | P104-F108 WeakPolarHBondContact O-CE1 3.5Å; P104-F108 WeakPolarHBondContact O-CZ 2.78Å; R105-F108 WeakPolarHBondContact O-CE2 3.49Å; R105-F108 WeakPolarHBondContact O-CZ 3.5Å | ||
| 109 | P | 89.3 | Confident | 84.3 | Confident | 66 Ų | 66 | 124.8 Ų | 124.8 | 43% | 0.429 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -69 | 139.8 | -179 | 30.8 | -33.3 | 0 | 0 | 0 | 109.4 | N107 R111 | N107-P109 WeakPolarHBondContact O-CD 3.36Å; N107-P109 WeakPolarHBondContact OD1-CD 3.47Å; P109-R111 PolarHBondContact O-N 3.35Å; P109-R111 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 87.6 | Confident | 83.6 | Confident | 254 Ų | 254 | 123.3 Ų | 123.3 | 96% | 0.958 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 118.1 | 172.8 | -60.4 | 179.6 | 88.4 | 175 | 7.2 | 108.4 | ||
| 111 | R | 85.8 | Confident | 82.5 | Confident | 213 Ų | 213 | 124.9 Ų | 124.9 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 136 | 175.6 | -62.6 | -175.8 | -177.4 | -177.6 | 0.3 | 109.2 | P109 | P109-R111 PolarHBondContact O-N 3.35Å; P109-R111 VanDerWaalsContact O-N 3.13Å |
| 112 | K | 88.4 | Confident | 81.3 | Confident | 166 Ų | 166 | 122 Ų | 122 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130.2 | 170 | -63.8 | -177.5 | -177.9 | 177.7 | 0 | 107.9 | Q117 | K112-Q117 HydrophobicContact CB-CG 4.07Š|
| 113 | T | 87.6 | Confident | 80.1 | Confident | 72 Ų | 72 | 122.3 Ų | 122.3 | 44% | 0.442 | 59% | 0.589 | S | S | . | * | trans | -104 | 161.5 | 169.4 | 60.7 | 0 | 0 | 0 | 0 | 110 | I115 T116 Q117 | T113-I115 PolarHBondContact O-N 3.23Å; T113-T116 PolarHBondContact N-OG1 2.99Å; T113-T116 PolarHBondContact O-N 3.5Å; T113-T116 PolarHBondContact O-OG1 3.01Å; T113-T116 PolarHBondContact OG1-N 3.3Å; T113-T116 PolarHBondContact OG1-OG1 2.99Å; T113-Q117 WeakPolarHBondContact O-CG 3.38Å; T113-Q117 PolarHBondContact O-N 3.21Å | ||
| 114 | D | 87.1 | Confident | 78.5 | Confident | 120 Ų | 120 | 130.2 Ų | 130.2 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -53.6 | -39.7 | 179.1 | -57.8 | -18.5 | 0 | 0 | 0 | 111.7 | T116 Q117 L118 | D114-T116 PolarHBondContact O-N 3.46Å; D114-Q117 PolarHBondContact O-N 3.34Å; D114-L118 VanDerWaalsContact O-CB 3.32Å; D114-L118 WeakPolarHBondContact O-CB 3.45Å; D114-L118 WeakPolarHBondContact O-CG 3.45Å; D114-L118 PolarHBondContact O-N 3.5Å |
| 115 | I | 84.6 | Confident | 77 | Confident | 136 Ų | 136 | 135.1 Ų | 135.1 | 70% | 0.697 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -58.5 | -50.1 | 175.2 | -60 | 168.6 | 0 | 0 | 0 | 111.1 | T113 Q117 L118 A119 | T113-I115 PolarHBondContact O-N 3.23Å; I115-Q117 VanDerWaalsContact C-N 3.29Å; I115-Q117 PolarHBondContact O-N 3.12Å; I115-L118 PolarHBondContact O-N 2.93Å; I115-A119 WeakPolarHBondContact O-CB 3.47Å; I115-A119 PolarHBondContact O-N 3.37Å |
| 116 | T | 82.1 | Confident | 75.5 | Confident | 67 Ų | 67 | 129.8 Ų | 129.8 | 41% | 0.411 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67 | -29.8 | 179.2 | 58.6 | 0 | 0 | 0 | 0 | 113 | T113 D114 L120 | T113-T116 PolarHBondContact N-OG1 2.99Å; T113-T116 PolarHBondContact O-N 3.5Å; T113-T116 PolarHBondContact O-OG1 3.01Å; T113-T116 PolarHBondContact OG1-N 3.3Å; T113-T116 PolarHBondContact OG1-OG1 2.99Å; D114-T116 PolarHBondContact O-N 3.46Å; T116-L120 WeakPolarHBondContact O-CG 3.38Å |
| 117 | Q | 81.1 | Confident | 73.6 | Confident | 102 Ų | 102 | 132.9 Ų | 132.9 | 48% | 0.477 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -74.6 | -44.5 | 176.7 | -66.6 | -177.2 | 17.5 | 0 | 0 | 111.5 | K112 T113 D114 I115 L120 | K112-Q117 HydrophobicContact CB-CG 4.07Å; T113-Q117 WeakPolarHBondContact O-CG 3.38Å; T113-Q117 PolarHBondContact O-N 3.21Å; D114-Q117 PolarHBondContact O-N 3.34Å; I115-Q117 VanDerWaalsContact C-N 3.29Å; I115-Q117 PolarHBondContact O-N 3.12Å; Q117-L120 PolarHBondContact O-N 3.49Å |
| 118 | L | 79 | Confident | 72.8 | Confident | 118 Ų | 118 | 136.8 Ų | 136.8 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.6 | -37.6 | -179.7 | -68.3 | 169.5 | 0 | 0 | 0 | 112.4 | D114 I115 L120 F121 T122 | D114-L118 VanDerWaalsContact O-CB 3.32Å; D114-L118 WeakPolarHBondContact O-CB 3.45Å; D114-L118 WeakPolarHBondContact O-CG 3.45Å; D114-L118 PolarHBondContact O-N 3.5Å; I115-L118 PolarHBondContact O-N 2.93Å; L118-L120 PolarHBondContact O-N 3.35Å; L118-F121 WeakPolarHBondContact O-CB 3.49Å; L118-F121 PolarHBondContact O-N 3.02Å; L118-T122 PolarHBondContact O-N 3.4Å |
| 119 | A | 71.6 | Confident | 72 | Confident | 56 Ų | 56 | 135.5 Ų | 135.5 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -63.4 | -26.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I115 T122 | I115-A119 WeakPolarHBondContact O-CB 3.47Å; I115-A119 PolarHBondContact O-N 3.37Å; A119-T122 PolarHBondContact O-OG1 3.09Å |
| 120 | L | 60.4 | Low | 71 | Confident | 117 Ų | 117 | 139.4 Ų | 139.4 | 61% | 0.613 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.8 | -27.6 | 172.3 | -69 | 170.4 | 0 | 0 | 0 | 112.3 | T116 Q117 L118 K124 | T116-L120 WeakPolarHBondContact O-CG 3.38Å; Q117-L120 PolarHBondContact O-N 3.49Å; L118-L120 PolarHBondContact O-N 3.35Å; L120-K124 PolarHBondContact O-N 3.36Å |
| 121 | F | 58.9 | Low | 70.1 | Confident | 132 Ų | 132 | 132.6 Ų | 132.6 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.8 | -34.6 | 179.7 | -146.2 | -82.7 | 0 | 0 | 0 | 112.1 | L118 | L118-F121 WeakPolarHBondContact O-CB 3.49Å; L118-F121 PolarHBondContact O-N 3.02Å |
| 122 | T | 58.4 | Low | 69.1 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.7 | -36.8 | 175.1 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | L118 A119 K124 R125 | L118-T122 PolarHBondContact O-N 3.4Å; A119-T122 PolarHBondContact O-OG1 3.09Å; T122-K124 PolarHBondContact O-N 3.1Å; T122-R125 PolarHBondContact O-N 3.5Å |
| 123 | K | 58 | Low | 67.8 | Low | 174 Ų | 174 | 125.1 Ų | 125.1 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.6 | -28.4 | 178.4 | -158.7 | 173.9 | -175.3 | 177.6 | 0 | 113.6 | ||
| 124 | K | 55.3 | Low | 66.4 | Low | 185 Ų | 185 | 128.9 Ų | 128.9 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -17.4 | 178.1 | -111.8 | -173.2 | 178.7 | -174.2 | 0 | 114.5 | L120 T122 | L120-K124 PolarHBondContact O-N 3.36Å; T122-K124 PolarHBondContact O-N 3.1Å |
| 125 | R | 53.5 | Low | 64.8 | Low | 201 Ų | 201 | 129.5 Ų | 129.5 | 76% | 0.758 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -0.6 | -178.4 | -85.3 | -174.8 | 140.8 | 132.5 | 1.2 | 114.4 | T122 | T122-R125 PolarHBondContact O-N 3.5Š|
| 126 | G | 55.5 | Low | 63.1 | Low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | trans | -108.4 | 25.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 127 | N | 43.5 | Very low | 61.4 | Low | 227 Ų | 227 | 134.6 Ų | 134.6 | 100% | 1.214 | 69% | 0.689 | S | S | * | * | trans | -124.7 | 0 | 167.3 | -81.1 | 5.4 | 0 | 0 | 0 | 109.5 |
Retrieved 127 of 127 residues in 109.5 ms
(Link to these results)