| 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 | 38.9 | Very low | 48.9 | Very low | 240 Ų | 240 | 136.4 Ų | 136.4 | 100% | 1.182 | 77% | 0.765 | S | S | * | * | 0 | 99.5 | 0 | -78.7 | 168.3 | 169.5 | 0 | 0 | 106.2 | S3 | M1-S3 PolarHBondContact O-N 2.7Š| |||
| 2 | E | 35 | Very low | 51.1 | Low | 199 Ų | 199 | 129.6 Ų | 129.6 | 93% | 0.93 | 72% | 0.724 | S | S | * | * | trans | -77 | 106.9 | -176.4 | -168.7 | 162.9 | 106.3 | 0 | 0 | 108 | G4 | E2-G4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 43.4 | Very low | 54.1 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -64.2 | 100.8 | 172.7 | -62.1 | 0 | 0 | 0 | 0 | 108.1 | M1 K5 | M1-S3 PolarHBondContact O-N 2.7Å; S3-K5 PolarHBondContact O-N 2.95Å | ||
| 4 | G | 44.7 | Very low | 56.6 | Low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | trans | -52.1 | 110.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | E2 M6 | E2-G4 PolarHBondContact O-N 3.27Å; G4-M6 PolarHBondContact O-N 3.17Å | ||
| 5 | K | 42.5 | Very low | 58.9 | Low | 205 Ų | 205 | 125.7 Ų | 125.7 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -61.6 | 99.4 | 179.4 | -164.7 | 172.5 | -174.6 | 178.3 | 0 | 107.9 | S3 A7 | S3-K5 PolarHBondContact O-N 2.95Å; K5-A7 PolarHBondContact O-N 3.09Å | ||
| 6 | M | 51.9 | Low | 60.9 | Low | 147 Ų | 147 | 118 Ų | 118 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124.5 | 171.2 | -79 | -155.4 | -81.8 | 0 | 0 | 108.1 | G4 S8 P33 | G4-M6 PolarHBondContact O-N 3.17Å; M6-S8 PolarHBondContact O-N 3.32Å; M6-P33 HydrophobicContact CG-CG 4.28Å; M6-P33 HydrophobicContact SD-CG 4.42Å |
| 7 | A | 51.4 | Low | 62.7 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K5 | K5-A7 PolarHBondContact O-N 3.09Š|
| 8 | S | 50.8 | Low | 64.3 | Low | 72 Ų | 72 | 116.4 Ų | 116.4 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 145.4 | -178 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | M6 K10 S11 | M6-S8 PolarHBondContact O-N 3.32Å; S8-K10 PolarHBondContact O-N 3.04Å; S8-S11 PolarHBondContact O-N 3.23Å; S8-S11 PolarHBondContact O-OG 2.9Å |
| 9 | P | 54.9 | Low | 65.7 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -15.1 | -174.3 | 19.2 | -31.4 | 0 | 0 | 0 | 114.5 | Q17 | P9-Q17 PolarHBondContact O-NE2 2.94Š|
| 10 | K | 55.8 | Low | 67 | Low | 200 Ų | 200 | 107.3 Ų | 107.3 | 87% | 0.87 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -12.3 | 177.3 | -69.1 | -177.2 | 178.4 | 177.7 | 0 | 114.9 | S8 | S8-K10 PolarHBondContact O-N 3.04Š|
| 11 | S | 68.6 | Low | 68.1 | Low | 81 Ų | 81 | 106.6 Ų | 106.6 | 57% | 0.566 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -102.2 | 2.2 | 179 | 76 | 0 | 0 | 0 | 0 | 113.8 | S8 | S8-S11 PolarHBondContact O-N 3.23Å; S8-S11 PolarHBondContact O-OG 2.9Å |
| 12 | M | 75.8 | Confident | 70.7 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 27% | 0.271 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -92.3 | 136.1 | -173.8 | -154.8 | 161.3 | 130.5 | 0 | 0 | 110.2 | A16 Q17 A20 I36 | M12-A16 VanDerWaalsContact CE-C 3.44Å; M12-A16 HydrophobicContact CE-CB 3.51Å; M12-A16 VanDerWaalsContact CE-O 3.22Å; M12-A16 WeakPolarHBondContact CE-O 3.34Å; M12-A16 HydrophobicContact CG-CB 3.76Å; M12-A16 HydrophobicContact SD-CB 4.48Å; M12-Q17 HydrophobicContact CB-CG 4.28Å; M12-Q17 PolarHBondContact O-NE2 3.05Å; M12-A20 HydrophobicContact CE-CB 4.27Å; M12-I36 HydrophobicContact CE-CD1 3.65Å; M12-I36 HydrophobicContact CE-CG2 4.17Å |
| 13 | P | 89.1 | Confident | 73.5 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | trans | -62.5 | 154.3 | -178.9 | 23.1 | -30.6 | 0 | 0 | 0 | 111.6 | D15 A16 Q17 | P13-D15 VanDerWaalsContact C-N 3.3Å; P13-D15 PolarHBondContact O-N 3.09Å; P13-A16 HydrophobicContact CG-CB 3.79Å; P13-A16 WeakPolarHBondContact O-CB 3.46Å; P13-A16 PolarHBondContact O-N 2.93Å; P13-Q17 PolarHBondContact O-N 3.22Å | ||
| 14 | K | 89.8 | Confident | 75.8 | Confident | 162 Ų | 162 | 91.8 Ų | 91.8 | 70% | 0.704 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.9 | -40.4 | -172.1 | -168.2 | 172.8 | 179.4 | -177.5 | 0 | 113.1 | A16 Q17 M18 | K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.48Å; K14-Q17 WeakPolarHBondContact O-CB 3.49Å; K14-Q17 PolarHBondContact O-N 3.16Å; K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.4Å; K14-M18 PolarHBondContact O-N 3.18Å |
| 15 | D | 90.4 | Very high | 78.3 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.8 | -34.6 | 179.4 | -57 | -29.6 | 0 | 0 | 0 | 112 | P13 M18 M19 L40 | P13-D15 VanDerWaalsContact C-N 3.3Å; P13-D15 PolarHBondContact O-N 3.09Å; D15-M18 WeakPolarHBondContact O-CB 3.26Å; D15-M18 PolarHBondContact O-N 2.92Å; D15-M19 WeakPolarHBondContact O-CG 3.48Å; D15-M19 PolarHBondContact O-N 3.48Å; D15-L40 HydrophobicContact CB-CD2 3.67Å |
| 16 | A | 91.1 | Very high | 80.7 | Confident | 2 Ų | 2 | 91.3 Ų | 91.3 | 2% | 0.017 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M12 P13 K14 M18 M19 A20 I36 L40 | M12-A16 VanDerWaalsContact CE-C 3.44Å; M12-A16 HydrophobicContact CE-CB 3.51Å; M12-A16 VanDerWaalsContact CE-O 3.22Å; M12-A16 WeakPolarHBondContact CE-O 3.34Å; M12-A16 HydrophobicContact CG-CB 3.76Å; M12-A16 HydrophobicContact SD-CB 4.48Å; P13-A16 HydrophobicContact CG-CB 3.79Å; P13-A16 WeakPolarHBondContact O-CB 3.46Å; P13-A16 PolarHBondContact O-N 2.93Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.48Å; A16-M18 VanDerWaalsContact C-N 3.33Å; A16-M19 PolarHBondContact O-N 3.48Å; A16-A20 WeakPolarHBondContact O-CB 3.41Å; A16-A20 PolarHBondContact O-N 3.38Å; A16-I36 HydrophobicContact CB-CG2 3.84Å; A16-L40 HydrophobicContact CB-CD1 3.9Å |
| 17 | Q | 91.4 | Very high | 82.7 | Confident | 90 Ų | 90 | 87 Ų | 87 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 171.2 | -66.6 | 177.3 | -13.2 | 0 | 0 | 111.6 | P9 M12 P13 K14 A20 Q21 | P9-Q17 PolarHBondContact O-NE2 2.94Å; M12-Q17 HydrophobicContact CB-CG 4.28Å; M12-Q17 PolarHBondContact O-NE2 3.05Å; P13-Q17 PolarHBondContact O-N 3.22Å; K14-Q17 WeakPolarHBondContact O-CB 3.49Å; K14-Q17 PolarHBondContact O-N 3.16Å; Q17-A20 PolarHBondContact O-N 3.34Å; Q17-Q21 PolarHBondContact O-N 2.98Å |
| 18 | M | 91.8 | Very high | 84.6 | Confident | 118 Ų | 118 | 87.2 Ų | 87.2 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63 | -45.2 | 174.8 | -66.4 | -101.4 | -73.2 | 0 | 0 | 111.6 | K14 D15 A16 A20 Q21 I22 | K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.4Å; K14-M18 PolarHBondContact O-N 3.18Å; D15-M18 WeakPolarHBondContact O-CB 3.26Å; D15-M18 PolarHBondContact O-N 2.92Å; A16-M18 VanDerWaalsContact C-N 3.33Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 2.93Å; M18-Q21 WeakPolarHBondContact O-CB 3.34Å; M18-Q21 PolarHBondContact O-N 3.47Å; M18-Q21 VanDerWaalsContact O-N 3.14Å; M18-I22 WeakPolarHBondContact O-CG1 3.41Å; M18-I22 PolarHBondContact O-N 3.25Å |
| 19 | M | 91.8 | Very high | 86.4 | Confident | 30 Ų | 30 | 89.9 Ų | 89.9 | 15% | 0.148 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 176.2 | -68.6 | -61.5 | -177.6 | 0 | 0 | 112.3 | D15 A16 Q21 I22 L23 I36 M39 L40 A43 | D15-M19 WeakPolarHBondContact O-CG 3.48Å; D15-M19 PolarHBondContact O-N 3.48Å; A16-M19 PolarHBondContact O-N 3.48Å; M19-Q21 VanDerWaalsContact C-N 3.31Å; M19-Q21 PolarHBondContact O-N 3.39Å; M19-I22 PolarHBondContact O-N 3.1Å; M19-I22 HydrophobicContact SD-CD1 4.09Å; M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.93Å; M19-L23 VanDerWaalsContact O-N 3.08Å; M19-I36 HydrophobicContact CB-CG2 3.99Å; M19-M39 HydrophobicContact SD-CB 4.34Å; M19-M39 HydrophobicContact SD-CE 3.96Å; M19-L40 HydrophobicContact CE-CD2 3.77Å; M19-L40 HydrophobicContact CE-CG 4.43Å; M19-L40 HydrophobicContact CG-CD2 3.67Å; M19-L40 HydrophobicContact CG-CG 3.92Å; M19-A43 HydrophobicContact CE-CB 3.85Å |
| 20 | A | 90.3 | Very high | 88.1 | Confident | 20 Ų | 20 | 93.1 Ų | 93.1 | 17% | 0.165 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M12 A16 Q17 M18 L23 K24 I36 | M12-A20 HydrophobicContact CE-CB 4.27Å; A16-A20 WeakPolarHBondContact O-CB 3.41Å; A16-A20 PolarHBondContact O-N 3.38Å; Q17-A20 PolarHBondContact O-N 3.34Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 2.93Å; A20-L23 PolarHBondContact O-N 3.08Å; A20-K24 PolarHBondContact O-N 2.75Å; A20-I36 HydrophobicContact CB-CD1 4.21Å |
| 21 | Q | 91.4 | Very high | 89.8 | Confident | 92 Ų | 92 | 87.5 Ų | 87.5 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 174.9 | -171.2 | 61.5 | 39.7 | 0 | 0 | 111.7 | Q17 M18 M19 L23 K24 D25 | Q17-Q21 PolarHBondContact O-N 2.98Å; M18-Q21 WeakPolarHBondContact O-CB 3.34Å; M18-Q21 PolarHBondContact O-N 3.47Å; M18-Q21 VanDerWaalsContact O-N 3.14Å; M19-Q21 VanDerWaalsContact C-N 3.31Å; M19-Q21 PolarHBondContact O-N 3.39Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.16Å; Q21-K24 WeakPolarHBondContact O-CB 3.4Å; Q21-K24 PolarHBondContact O-N 3.02Å; Q21-K24 VanDerWaalsContact O-N 3.14Å; Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.02Å |
| 22 | I | 93.8 | Very high | 91 | Very high | 84 Ų | 84 | 89.3 Ų | 89.3 | 43% | 0.431 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 174.6 | -67.3 | 166 | 0 | 0 | 0 | 110.9 | M18 M19 K24 D25 M26 | M18-I22 WeakPolarHBondContact O-CG1 3.41Å; M18-I22 PolarHBondContact O-N 3.25Å; M19-I22 PolarHBondContact O-N 3.1Å; M19-I22 HydrophobicContact SD-CD1 4.09Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.29Å; I22-D25 PolarHBondContact O-N 2.92Å; I22-M26 WeakPolarHBondContact O-CG 3.5Å; I22-M26 PolarHBondContact O-N 3.24Å |
| 23 | L | 92.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 90.1 Ų | 90.1 | 7% | 0.073 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 176.9 | -69.7 | 172.3 | 0 | 0 | 0 | 111.8 | M19 A20 Q21 M26 G27 I28 Y31 I36 M39 | M19-L23 WeakPolarHBondContact O-CG 3.36Å; M19-L23 PolarHBondContact O-N 2.93Å; M19-L23 VanDerWaalsContact O-N 3.08Å; A20-L23 PolarHBondContact O-N 3.08Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 3.16Å; L23-M26 PolarHBondContact O-N 3.05Å; L23-G27 PolarHBondContact O-N 3.37Å; L23-I28 HydrophobicContact CD2-CD1 4.04Å; L23-I28 PolarHBondContact O-N 3.18Å; L23-Y31 HydrophobicContact CB-CD1 4.33Å; L23-Y31 HydrophobicContact CB-CE1 4.05Å; L23-Y31 HydrophobicContact CD1-CD1 3.78Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.8Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.93Å; L23-I36 HydrophobicContact CD1-CG1 4.14Å; L23-M39 HydrophobicContact CD2-SD 4.15Å; L23-M39 HydrophobicContact CG-SD 4.48Å |
| 24 | K | 93.1 | Very high | 91.6 | Very high | 144 Ų | 144 | 93.3 Ų | 93.3 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 176.2 | -172.3 | 177 | 176.6 | -178.4 | 0 | 112.4 | A20 Q21 I22 M26 G27 | A20-K24 PolarHBondContact O-N 2.75Å; Q21-K24 WeakPolarHBondContact O-CB 3.4Å; Q21-K24 PolarHBondContact O-N 3.02Å; Q21-K24 VanDerWaalsContact O-N 3.14Å; I22-K24 VanDerWaalsContact C-N 3.27Å; I22-K24 PolarHBondContact O-N 3.29Å; K24-M26 VanDerWaalsContact C-N 3.25Å; K24-M26 PolarHBondContact O-N 3.2Å; K24-G27 PolarHBondContact O-N 2.98Å |
| 25 | D | 95.7 | Very high | 91.8 | Very high | 119 Ų | 119 | 87.9 Ų | 87.9 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.9 | -29.6 | 177.7 | -65 | -12.3 | 0 | 0 | 0 | 111.6 | Q21 I22 G27 | Q21-D25 PolarHBondContact NE2-OD1 3.12Å; Q21-D25 VanDerWaalsContact O-CG 3.27Å; Q21-D25 PolarHBondContact O-N 3.02Å; I22-D25 PolarHBondContact O-N 2.92Å; D25-G27 PolarHBondContact O-N 3.41Å |
| 26 | M | 93.4 | Very high | 91.9 | Very high | 143 Ų | 143 | 84.4 Ų | 84.4 | 70% | 0.704 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -1 | 171.6 | -67.5 | -66.8 | -68.2 | 0 | 0 | 113.8 | I22 L23 K24 I28 | I22-M26 WeakPolarHBondContact O-CG 3.5Å; I22-M26 PolarHBondContact O-N 3.24Å; L23-M26 PolarHBondContact O-N 3.05Å; K24-M26 VanDerWaalsContact C-N 3.25Å; K24-M26 PolarHBondContact O-N 3.2Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.26Å; M26-I28 HydrophobicContact CB-CG1 4.28Å; M26-I28 PolarHBondContact O-N 3.01Å |
| 27 | G | 93.1 | Very high | 92 | Very high | 57 Ų | 57 | 88.6 Ų | 88.6 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 13.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L23 K24 D25 T29 | L23-G27 PolarHBondContact O-N 3.37Å; K24-G27 PolarHBondContact O-N 2.98Å; D25-G27 PolarHBondContact O-N 3.41Å; G27-T29 PolarHBondContact O-N 3.42Å |
| 28 | I | 93.1 | Very high | 92.1 | Very high | 73 Ų | 73 | 89.4 Ų | 89.4 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | trans | -89.3 | 107.8 | -179.9 | -55.4 | 172.1 | 0 | 0 | 0 | 108.9 | L23 M26 Y31 | L23-I28 HydrophobicContact CD2-CD1 4.04Å; L23-I28 PolarHBondContact O-N 3.18Å; M26-I28 VanDerWaalsContact C-N 3.33Å; M26-I28 HydrophobicContact CB-CD1 4.26Å; M26-I28 HydrophobicContact CB-CG1 4.28Å; M26-I28 PolarHBondContact O-N 3.01Å; I28-Y31 HydrophobicContact CG2-CD1 4.26Å | ||
| 29 | T | 87.3 | Confident | 92.2 | Very high | 128 Ų | 128 | 86.6 Ų | 86.6 | 79% | 0.785 | 44% | 0.443 | S | S | * | . | trans | -96.1 | -22.4 | -177.6 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | G27 | G27-T29 PolarHBondContact O-N 3.42Š| ||
| 30 | E | 91.3 | Very high | 92.3 | Very high | 174 Ų | 174 | 86.2 Ų | 86.2 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | trans | -120.2 | 118.5 | -178.1 | -64.9 | -172.5 | 171.3 | 0 | 0 | 110.3 | ||||
| 31 | Y | 91.5 | Very high | 92.5 | Very high | 83 Ų | 83 | 91.2 Ų | 91.2 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | trans | -152.4 | 154.2 | 175.6 | 52.5 | -97.6 | 0 | 0 | 0 | 110.3 | L23 I28 I36 | L23-Y31 HydrophobicContact CB-CD1 4.33Å; L23-Y31 HydrophobicContact CB-CE1 4.05Å; L23-Y31 HydrophobicContact CD1-CD1 3.78Å; L23-Y31 HydrophobicContact CD1-CD2 4.11Å; L23-Y31 HydrophobicContact CD1-CE1 3.8Å; L23-Y31 HydrophobicContact CD1-CE2 4.18Å; L23-Y31 HydrophobicContact CD1-CG 3.93Å; I28-Y31 HydrophobicContact CG2-CD1 4.26Å; Y31-I36 HydrophobicContact CD2-CD1 4.22Å; Y31-I36 HydrophobicContact CD2-CG1 4.48Å; Y31-I36 HydrophobicContact CE2-CD1 3.42Å; Y31-I36 VanDerWaalsContact CE2-CD1 3.42Å; Y31-I36 HydrophobicContact CE2-CG1 4.08Å | ||
| 32 | E | 92.6 | Very high | 92.7 | Very high | 119 Ų | 119 | 93.2 Ų | 93.2 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | trans | -73.4 | 138.9 | 172 | -170.4 | -174.9 | 153.1 | 0 | 0 | 109.8 | R34 V35 | E32-R34 HydrophobicContact CG-CB 4.11Å; E32-R34 PolarHBondContact O-N 3.3Å; E32-R34 WeakPolarHBondContact OE1-CB 3.39Å; E32-R34 IonicContact OE1-NE 3.79Å; E32-V35 HydrophobicContact CB-CG2 4.3Å; E32-V35 VanDerWaalsContact O-CB 3.32Å; E32-V35 WeakPolarHBondContact O-CB 3.3Å; E32-V35 WeakPolarHBondContact O-CG2 3.3Å; E32-V35 PolarHBondContact O-N 3.41Å | ||
| 33 | P | 86.9 | Confident | 92.7 | Very high | 71 Ų | 71 | 90.7 Ų | 90.7 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -53.6 | -28.2 | 177 | -27.9 | 34.8 | 0 | 0 | 0 | 114.2 | M6 V35 I36 | M6-P33 HydrophobicContact CG-CG 4.28Å; M6-P33 HydrophobicContact SD-CG 4.42Å; P33-V35 PolarHBondContact O-N 2.96Å; P33-I36 PolarHBondContact O-N 3.11Å |
| 34 | R | 92 | Very high | 92.8 | Very high | 155 Ų | 155 | 95.6 Ų | 95.6 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.7 | -28.3 | 176.9 | -173.6 | 177.3 | -73.6 | -104.1 | 0.1 | 113.1 | E32 I36 N37 Q38 | E32-R34 HydrophobicContact CG-CB 4.11Å; E32-R34 PolarHBondContact O-N 3.3Å; E32-R34 WeakPolarHBondContact OE1-CB 3.39Å; E32-R34 IonicContact OE1-NE 3.79Å; R34-I36 VanDerWaalsContact C-N 3.3Å; R34-I36 PolarHBondContact O-N 2.95Å; R34-N37 PolarHBondContact O-N 3.17Å; R34-Q38 HydrophobicContact CG-CG 4.29Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.42Å |
| 35 | V | 93.2 | Very high | 93 | Very high | 48 Ų | 48 | 97.7 Ų | 97.7 | 29% | 0.291 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 179.2 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | E32 P33 N37 Q38 M39 | E32-V35 HydrophobicContact CB-CG2 4.3Å; E32-V35 VanDerWaalsContact O-CB 3.32Å; E32-V35 WeakPolarHBondContact O-CB 3.3Å; E32-V35 WeakPolarHBondContact O-CG2 3.3Å; E32-V35 PolarHBondContact O-N 3.41Å; P33-V35 PolarHBondContact O-N 2.96Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.89Å; V35-Q38 PolarHBondContact O-N 3.47Å; V35-M39 HydrophobicContact CG1-CG 4.31Å; V35-M39 HydrophobicContact CG1-SD 4.04Å; V35-M39 WeakPolarHBondContact O-CB 3.32Å; V35-M39 WeakPolarHBondContact O-CG 3.39Å; V35-M39 PolarHBondContact O-N 2.89Å |
| 36 | I | 92.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 95.1 Ų | 95.1 | 4% | 0.041 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 179.3 | -68.5 | 164.1 | 0 | 0 | 0 | 110.8 | M12 A16 M19 A20 L23 Y31 P33 R34 M39 L40 | M12-I36 HydrophobicContact CE-CD1 3.65Å; M12-I36 HydrophobicContact CE-CG2 4.17Å; A16-I36 HydrophobicContact CB-CG2 3.84Å; M19-I36 HydrophobicContact CB-CG2 3.99Å; A20-I36 HydrophobicContact CB-CD1 4.21Å; L23-I36 HydrophobicContact CD1-CG1 4.14Å; Y31-I36 HydrophobicContact CD2-CD1 4.22Å; Y31-I36 HydrophobicContact CD2-CG1 4.48Å; Y31-I36 HydrophobicContact CE2-CD1 3.42Å; Y31-I36 VanDerWaalsContact CE2-CD1 3.42Å; Y31-I36 HydrophobicContact CE2-CG1 4.08Å; P33-I36 PolarHBondContact O-N 3.11Å; R34-I36 VanDerWaalsContact C-N 3.3Å; R34-I36 PolarHBondContact O-N 2.95Å; I36-M39 PolarHBondContact O-N 2.74Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 3.5Å |
| 37 | N | 92.4 | Very high | 93 | Very high | 91 Ų | 91 | 92 Ų | 92 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 178.5 | -65.2 | -24.9 | 0 | 0 | 0 | 111.4 | R34 V35 L40 E41 | R34-N37 PolarHBondContact O-N 3.17Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 2.89Å; N37-L40 PolarHBondContact O-N 3.24Å; N37-E41 WeakPolarHBondContact O-CG 3.42Å; N37-E41 PolarHBondContact O-N 2.85Å |
| 38 | Q | 94.4 | Very high | 93.2 | Very high | 107 Ų | 107 | 92.9 Ų | 92.9 | 50% | 0.5 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 176.9 | -71.9 | 176.5 | -23.6 | 0 | 0 | 112.4 | R34 V35 L40 E41 F42 | R34-Q38 HydrophobicContact CG-CG 4.29Å; R34-Q38 WeakPolarHBondContact O-CG 3.4Å; R34-Q38 PolarHBondContact O-N 3.42Å; V35-Q38 PolarHBondContact O-N 3.47Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; Q38-E41 PolarHBondContact O-N 3.04Å; Q38-F42 WeakPolarHBondContact O-CB 3.35Å; Q38-F42 PolarHBondContact O-N 3.45Å |
| 39 | M | 93.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 91.9 Ų | 91.9 | 29% | 0.291 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.5 | -76.9 | -178 | 65.3 | 0 | 0 | 111.9 | M19 L23 V35 I36 F42 A43 | M19-M39 HydrophobicContact SD-CB 4.34Å; M19-M39 HydrophobicContact SD-CE 3.96Å; L23-M39 HydrophobicContact CD2-SD 4.15Å; L23-M39 HydrophobicContact CG-SD 4.48Å; V35-M39 HydrophobicContact CG1-CG 4.31Å; V35-M39 HydrophobicContact CG1-SD 4.04Å; V35-M39 WeakPolarHBondContact O-CB 3.32Å; V35-M39 WeakPolarHBondContact O-CG 3.39Å; V35-M39 PolarHBondContact O-N 2.89Å; I36-M39 PolarHBondContact O-N 2.74Å; M39-F42 PolarHBondContact O-N 2.91Å; M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 2.9Å |
| 40 | L | 94.2 | Very high | 93.7 | Very high | 22 Ų | 22 | 86.2 Ų | 86.2 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.1 | -50.1 | 174.7 | -74.6 | 169.9 | 0 | 0 | 0 | 111.4 | D15 A16 M19 I36 N37 Q38 F42 A43 F44 | D15-L40 HydrophobicContact CB-CD2 3.67Å; A16-L40 HydrophobicContact CB-CD1 3.9Å; M19-L40 HydrophobicContact CE-CD2 3.77Å; M19-L40 HydrophobicContact CE-CG 4.43Å; M19-L40 HydrophobicContact CG-CD2 3.67Å; M19-L40 HydrophobicContact CG-CG 3.92Å; I36-L40 HydrophobicContact CG2-CD1 4.08Å; I36-L40 WeakPolarHBondContact O-CG 3.37Å; I36-L40 PolarHBondContact O-N 3.5Å; N37-L40 PolarHBondContact O-N 3.24Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.38Å; L40-A43 PolarHBondContact O-N 3.26Å; L40-F44 HydrophobicContact CB-CD2 4.44Å; L40-F44 HydrophobicContact CB-CE2 4.44Å; L40-F44 HydrophobicContact CD2-CE2 4.23Å; L40-F44 WeakPolarHBondContact O-CD2 3.46Å; L40-F44 PolarHBondContact O-N 2.95Å |
| 41 | E | 95.3 | Very high | 93.9 | Very high | 125 Ų | 125 | 82.2 Ų | 82.2 | 58% | 0.584 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -56.6 | -44.1 | 176.9 | -75.8 | 178.2 | -167 | 0 | 0 | 111.6 | N37 Q38 R45 | N37-E41 WeakPolarHBondContact O-CG 3.42Å; N37-E41 PolarHBondContact O-N 2.85Å; Q38-E41 PolarHBondContact O-N 3.04Å; E41-R45 WeakPolarHBondContact O-CB 3.38Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.38Å; E41-R45 PolarHBondContact O-N 2.72Å |
| 42 | F | 94.4 | Very high | 94.1 | Very high | 133 Ų | 133 | 82.6 Ų | 82.6 | 58% | 0.583 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.7 | -49.3 | 175.7 | 175.4 | -98.8 | 0 | 0 | 0 | 111.6 | Q38 M39 L40 F44 R45 Y46 | Q38-F42 WeakPolarHBondContact O-CB 3.35Å; Q38-F42 PolarHBondContact O-N 3.45Å; M39-F42 PolarHBondContact O-N 2.91Å; L40-F42 VanDerWaalsContact C-N 3.28Å; L40-F42 PolarHBondContact O-N 3.38Å; F42-F44 PolarHBondContact O-N 3.27Å; F42-R45 PolarHBondContact O-N 3.34Å; F42-Y46 VanDerWaalsContact O-CB 3.26Å; F42-Y46 WeakPolarHBondContact O-CB 3.41Å; F42-Y46 PolarHBondContact O-N 3.46Å |
| 43 | A | 94.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 78.3 Ų | 78.3 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60 | -46.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M19 M39 L40 Y46 V47 | M19-A43 HydrophobicContact CE-CB 3.85Å; M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 2.9Å; L40-A43 PolarHBondContact O-N 3.26Å; A43-Y46 PolarHBondContact O-N 3.16Å; A43-V47 WeakPolarHBondContact O-CB 3.39Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 3.42Å |
| 44 | F | 95.5 | Very high | 94.8 | Very high | 116 Ų | 116 | 75 Ų | 75 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 178.6 | -78 | -64 | 0 | 0 | 0 | 112.4 | L40 F42 T48 | L40-F44 HydrophobicContact CB-CD2 4.44Å; L40-F44 HydrophobicContact CB-CE2 4.44Å; L40-F44 HydrophobicContact CD2-CE2 4.23Å; L40-F44 WeakPolarHBondContact O-CD2 3.46Å; L40-F44 PolarHBondContact O-N 2.95Å; F42-F44 PolarHBondContact O-N 3.27Å; F44-T48 WeakPolarHBondContact O-CB 3.28Å; F44-T48 PolarHBondContact O-N 2.91Å; F44-T48 PolarHBondContact O-OG1 3.39Å |
| 45 | R | 95.7 | Very high | 95 | Very high | 188 Ų | 188 | 74.1 Ų | 74.1 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.9 | -45.8 | 176.1 | -72.6 | 179.2 | 76.9 | 163.8 | 5 | 110.9 | E41 F42 T48 T49 | E41-R45 WeakPolarHBondContact O-CB 3.38Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.38Å; E41-R45 PolarHBondContact O-N 2.72Å; F42-R45 PolarHBondContact O-N 3.34Å; R45-T48 PolarHBondContact O-N 2.81Å; R45-T49 WeakPolarHBondContact O-CG2 3.43Å; R45-T49 PolarHBondContact O-N 3.19Å; R45-T49 PolarHBondContact O-OG1 3.34Å |
| 46 | Y | 94.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 75.8 Ų | 75.8 | 26% | 0.259 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.2 | -53.6 | 178.1 | -177.7 | -103.9 | 0 | 0 | 0 | 111.2 | F42 A43 T48 T49 I50 F83 | F42-Y46 VanDerWaalsContact O-CB 3.26Å; F42-Y46 WeakPolarHBondContact O-CB 3.41Å; F42-Y46 PolarHBondContact O-N 3.46Å; A43-Y46 PolarHBondContact O-N 3.16Å; Y46-T48 VanDerWaalsContact C-N 3.33Å; Y46-T48 PolarHBondContact O-N 3.36Å; Y46-T49 PolarHBondContact O-N 2.95Å; Y46-T49 VanDerWaalsContact O-N 3.16Å; Y46-T49 PolarHBondContact O-OG1 3.17Å; Y46-I50 HydrophobicContact CD1-CG1 4.24Å; Y46-I50 HydrophobicContact CE1-CD1 4.44Å; Y46-I50 HydrophobicContact CE1-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CD1 4.21Å; Y46-I50 HydrophobicContact CE2-CG1 4.31Å; Y46-I50 WeakPolarHBondContact O-CG1 3.4Å; Y46-I50 PolarHBondContact O-N 2.89Å; Y46-F83 HydrophobicContact CE2-CE2 4.47Å |
| 47 | V | 95.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 78.1 Ų | 78.1 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -43 | 179.7 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | A43 T49 I50 L51 | A43-V47 WeakPolarHBondContact O-CB 3.39Å; A43-V47 VanDerWaalsContact O-CG2 3.28Å; A43-V47 WeakPolarHBondContact O-CG2 3.48Å; A43-V47 PolarHBondContact O-N 3.42Å; V47-T49 PolarHBondContact O-N 3.17Å; V47-I50 PolarHBondContact O-N 3.48Å; V47-L51 HydrophobicContact CG1-CD1 3.89Å; V47-L51 HydrophobicContact CG1-CG 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.32Å; V47-L51 PolarHBondContact O-N 3.24Å |
| 48 | T | 96.5 | Very high | 95.4 | Very high | 75 Ų | 75 | 74 Ų | 74 | 46% | 0.46 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 176.6 | -56 | 0 | 0 | 0 | 0 | 111.1 | F44 R45 Y46 I50 L51 D52 | F44-T48 WeakPolarHBondContact O-CB 3.28Å; F44-T48 PolarHBondContact O-N 2.91Å; F44-T48 PolarHBondContact O-OG1 3.39Å; R45-T48 PolarHBondContact O-N 2.81Å; Y46-T48 VanDerWaalsContact C-N 3.33Å; Y46-T48 PolarHBondContact O-N 3.36Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 3.46Å; T48-L51 PolarHBondContact O-N 3.49Å; T48-D52 PolarHBondContact O-N 3.21Å |
| 49 | T | 94.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 72.6 Ų | 72.6 | 33% | 0.325 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | R45 Y46 V47 D52 D53 | R45-T49 WeakPolarHBondContact O-CG2 3.43Å; R45-T49 PolarHBondContact O-N 3.19Å; R45-T49 PolarHBondContact O-OG1 3.34Å; Y46-T49 PolarHBondContact O-N 2.95Å; Y46-T49 VanDerWaalsContact O-N 3.16Å; Y46-T49 PolarHBondContact O-OG1 3.17Å; V47-T49 PolarHBondContact O-N 3.17Å; T49-D52 PolarHBondContact O-N 3.09Å; T49-D53 PolarHBondContact O-N 3.46Å |
| 50 | I | 96.1 | Very high | 95.6 | Very high | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.4 | -66 | -54.5 | 0 | 0 | 0 | 111 | Y46 V47 T48 D53 A54 V71 A74 I75 R78 | Y46-I50 HydrophobicContact CD1-CG1 4.24Å; Y46-I50 HydrophobicContact CE1-CD1 4.44Å; Y46-I50 HydrophobicContact CE1-CG1 3.89Å; Y46-I50 HydrophobicContact CE2-CD1 4.21Å; Y46-I50 HydrophobicContact CE2-CG1 4.31Å; Y46-I50 WeakPolarHBondContact O-CG1 3.4Å; Y46-I50 PolarHBondContact O-N 2.89Å; V47-I50 PolarHBondContact O-N 3.48Å; T48-I50 VanDerWaalsContact C-N 3.33Å; T48-I50 PolarHBondContact O-N 3.46Å; I50-D53 PolarHBondContact O-N 2.92Å; I50-A54 WeakPolarHBondContact O-CB 3.26Å; I50-A54 PolarHBondContact O-N 3.19Å; I50-V71 HydrophobicContact CG2-CG1 4.19Å; I50-A74 HydrophobicContact CG2-CB 4.05Å; I50-I75 HydrophobicContact CD1-CG1 4.39Å; I50-I75 HydrophobicContact CG2-CG1 4.01Å; I50-R78 HydrophobicContact CD1-CB 3.91Å; I50-R78 HydrophobicContact CD1-CG 3.63Å |
| 51 | L | 96.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 78.3 Ų | 78.3 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.6 | -34.6 | 179.6 | -69.1 | 175 | 0 | 0 | 0 | 112.3 | V47 T48 A54 K55 | V47-L51 HydrophobicContact CG1-CD1 3.89Å; V47-L51 HydrophobicContact CG1-CG 4.31Å; V47-L51 WeakPolarHBondContact O-CG 3.32Å; V47-L51 PolarHBondContact O-N 3.24Å; T48-L51 PolarHBondContact O-N 3.49Å; L51-A54 PolarHBondContact O-N 3.27Å; L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 PolarHBondContact O-N 2.96Å |
| 52 | D | 96 | Very high | 95.6 | Very high | 90 Ų | 90 | 81.8 Ų | 81.8 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 172.6 | -72.8 | -28 | 0 | 0 | 0 | 111 | T48 T49 K55 I56 | T48-D52 PolarHBondContact O-N 3.21Å; T49-D52 PolarHBondContact O-N 3.09Å; D52-K55 PolarHBondContact O-N 3.1Å; D52-I56 WeakPolarHBondContact O-CG1 3.43Å; D52-I56 PolarHBondContact O-N 3.37Å; D52-I56 VanDerWaalsContact O-N 3.08Å |
| 53 | D | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 79.5 Ų | 79.5 | 16% | 0.16 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176 | -71.3 | -18.6 | 0 | 0 | 0 | 110.9 | T49 I50 K55 I56 Y57 A74 R78 | T49-D53 PolarHBondContact O-N 3.46Å; I50-D53 PolarHBondContact O-N 2.92Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.29Å; D53-I56 WeakPolarHBondContact O-CB 3.35Å; D53-I56 PolarHBondContact O-N 3.36Å; D53-Y57 HydrophobicContact CB-CE2 4.44Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 VanDerWaalsContact O-CG 3.29Å; D53-Y57 PolarHBondContact O-N 3.4Å; D53-A74 HydrophobicContact CB-CB 3.93Å; D53-R78 IonicContact OD1-NH2 3.17Å; D53-R78 IonicContact OD2-CZ 2.74Å; D53-R78 IonicContact OD2-NE 3.49Å; D53-R78 PolarHBondContact OD2-NE 3.46Å; D53-R78 IonicContact OD2-NH2 3.74Å; D53-R78 PolarHBondContact OD2-NH2 3.35Å; D53-R78 VanDerWaalsContact OD2-NH2 3.17Å |
| 54 | A | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I50 L51 I56 Y57 S58 V66 D70 V71 A74 | I50-A54 WeakPolarHBondContact O-CB 3.26Å; I50-A54 PolarHBondContact O-N 3.19Å; L51-A54 PolarHBondContact O-N 3.27Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-Y57 PolarHBondContact O-N 2.97Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-V66 HydrophobicContact CB-CG1 3.89Å; A54-D70 HydrophobicContact CB-CB 4.21Å; A54-V71 HydrophobicContact CB-CG2 4.07Å; A54-A74 HydrophobicContact CB-CB 4.32Å |
| 55 | K | 96.4 | Very high | 95.4 | Very high | 137 Ų | 137 | 82.2 Ų | 82.2 | 60% | 0.596 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.4 | -37.6 | 175 | -173.1 | 178.1 | -179 | -179 | 0 | 111.8 | L51 D52 D53 S59 | L51-K55 WeakPolarHBondContact O-CB 3.34Å; L51-K55 PolarHBondContact O-N 2.96Å; D52-K55 PolarHBondContact O-N 3.1Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.29Å; K55-S59 WeakPolarHBondContact O-CB 3.35Å; K55-S59 PolarHBondContact O-N 2.72Å; K55-S59 PolarHBondContact O-OG 3.46Å |
| 56 | I | 96.1 | Very high | 95.4 | Very high | 83 Ų | 83 | 76.6 Ų | 76.6 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 172.9 | -68.6 | 165 | 0 | 0 | 0 | 109.4 | D52 D53 A54 S59 H60 | D52-I56 WeakPolarHBondContact O-CG1 3.43Å; D52-I56 PolarHBondContact O-N 3.37Å; D52-I56 VanDerWaalsContact O-N 3.08Å; D53-I56 WeakPolarHBondContact O-CB 3.35Å; D53-I56 PolarHBondContact O-N 3.36Å; A54-I56 VanDerWaalsContact C-N 3.33Å; I56-S59 WeakPolarHBondContact O-CB 3.32Å; I56-S59 PolarHBondContact O-N 2.9Å; I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.31Å; I56-H60 PolarHBondContact O-CD2 2.83Å; I56-H60 PolarHBondContact O-N 2.89Å |
| 57 | Y | 95.7 | Very high | 95.5 | Very high | 57 Ų | 57 | 76.3 Ų | 76.3 | 22% | 0.224 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 179.4 | -58 | -26.4 | 0 | 0 | 0 | 113.8 | D53 A54 S59 H60 A61 L73 A74 | D53-Y57 HydrophobicContact CB-CE2 4.44Å; D53-Y57 WeakPolarHBondContact O-CD2 3.39Å; D53-Y57 VanDerWaalsContact O-CG 3.29Å; D53-Y57 PolarHBondContact O-N 3.4Å; A54-Y57 PolarHBondContact O-N 2.97Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 3.33Å; Y57-H60 WeakPolarHBondContact O-CB 3.13Å; Y57-H60 PolarHBondContact O-N 3.45Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; Y57-A61 PolarHBondContact O-N 3.39Å; Y57-L73 HydrophobicContact CD2-CB 4.14Å; Y57-L73 HydrophobicContact CD2-CD2 3.86Å; Y57-L73 HydrophobicContact CD2-CG 3.99Å; Y57-L73 HydrophobicContact CE2-CB 4.21Å; Y57-L73 HydrophobicContact CE2-CD2 4.07Å; Y57-L73 HydrophobicContact CE2-CG 3.81Å; Y57-L73 HydrophobicContact CG-CD2 4.14Å; Y57-A74 HydrophobicContact CD2-CB 4.23Å; Y57-A74 HydrophobicContact CE2-CB 3.79Å |
| 58 | S | 96.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 75.7 Ų | 75.7 | 3% | 0.028 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57 | -42.3 | 172.5 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | A54 A61 K62 K63 T65 | A54-S58 PolarHBondContact O-N 2.95Å; S58-A61 CarbonylContact O-C 3.58Å; S58-A61 PolarHBondContact O-N 2.97Å; S58-K62 PolarHBondContact O-N 3.44Å; S58-K62 VanDerWaalsContact O-N 3.17Å; S58-K63 PolarHBondContact O-N 3.14Å; S58-K63 PolarHBondContact OG-O 2.97Å; S58-T65 PolarHBondContact OG-O 3.44Å; S58-T65 VanDerWaalsContact OG-O 3.09Å |
| 59 | S | 95.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 76.8 Ų | 76.8 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 178 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | K55 I56 Y57 A61 K62 | K55-S59 WeakPolarHBondContact O-CB 3.35Å; K55-S59 PolarHBondContact O-N 2.72Å; K55-S59 PolarHBondContact O-OG 3.46Å; I56-S59 WeakPolarHBondContact O-CB 3.32Å; I56-S59 PolarHBondContact O-N 2.9Å; Y57-S59 VanDerWaalsContact C-N 3.27Å; Y57-S59 PolarHBondContact O-N 3.33Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 2.89Å; S59-K62 PolarHBondContact O-N 3.3Å; S59-K62 VanDerWaalsContact O-N 3.09Å |
| 60 | H | 95.6 | Very high | 95.4 | Very high | 150 Ų | 150 | 74.8 Ų | 74.8 | 69% | 0.694 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.9 | -36.1 | 173.7 | -80.1 | -72.4 | 0 | 0 | 0 | 112.7 | I56 Y57 K62 | I56-H60 VanDerWaalsContact CG2-CD2 3.5Å; I56-H60 WeakPolarHBondContact CG2-CD2 3.31Å; I56-H60 PolarHBondContact O-CD2 2.83Å; I56-H60 PolarHBondContact O-N 2.89Å; Y57-H60 WeakPolarHBondContact O-CB 3.13Å; Y57-H60 PolarHBondContact O-N 3.45Å; Y57-H60 VanDerWaalsContact O-N 3.16Å; H60-K62 PolarHBondContact O-N 2.95Å |
| 61 | A | 94.4 | Very high | 95.5 | Very high | 52 Ų | 52 | 76.5 Ų | 76.5 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 0.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y57 S58 S59 K63 | Y57-A61 PolarHBondContact O-N 3.39Å; S58-A61 CarbonylContact O-C 3.58Å; S58-A61 PolarHBondContact O-N 2.97Å; S59-A61 VanDerWaalsContact C-N 3.32Å; S59-A61 PolarHBondContact O-N 2.89Å; A61-K63 HydrophobicContact CB-CD 4.06Å; A61-K63 HydrophobicContact CB-CG 3.99Å; A61-K63 PolarHBondContact O-N 3.14Å |
| 62 | K | 95.2 | Very high | 95.5 | Very high | 198 Ų | 198 | 79.6 Ų | 79.6 | 86% | 0.861 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.9 | -174.8 | -57.1 | 177.7 | -179.6 | 177.2 | 0 | 113.2 | S58 S59 H60 | S58-K62 PolarHBondContact O-N 3.44Å; S58-K62 VanDerWaalsContact O-N 3.17Å; S59-K62 PolarHBondContact O-N 3.3Å; S59-K62 VanDerWaalsContact O-N 3.09Å; H60-K62 PolarHBondContact O-N 2.95Å |
| 63 | K | 94.1 | Very high | 95.4 | Very high | 85 Ų | 85 | 78.9 Ų | 78.9 | 37% | 0.37 | 43% | 0.425 | S | S | . | . | trans | -95.2 | 140.5 | 175.3 | -61.8 | 177.7 | -178.3 | 179.5 | 0 | 109.8 | S58 A61 D67 | S58-K63 PolarHBondContact O-N 3.14Å; S58-K63 PolarHBondContact OG-O 2.97Å; A61-K63 HydrophobicContact CB-CD 4.06Å; A61-K63 HydrophobicContact CB-CG 3.99Å; A61-K63 PolarHBondContact O-N 3.14Å; K63-D67 WeakPolarHBondContact CD-OD2 3.33Å; K63-D67 WeakPolarHBondContact CE-OD2 3.4Å; K63-D67 IonicContact NZ-OD2 2.7Å; K63-D67 PolarHBondContact NZ-OD2 3.46Å | ||
| 64 | A | 91.1 | Very high | 95.4 | Very high | 110 Ų | 110 | 77.5 Ų | 77.5 | 91% | 0.909 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -83.4 | -17.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 65 | T | 94.8 | Very high | 95.3 | Very high | 95 Ų | 95 | 81.1 Ų | 81.1 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -120 | 140.4 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 110 | S58 | S58-T65 PolarHBondContact OG-O 3.44Å; S58-T65 VanDerWaalsContact OG-O 3.09Å |
| 66 | V | 95.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 80.4 Ų | 80.4 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | trans | -78.2 | 123.4 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | A54 D70 V71 | A54-V66 HydrophobicContact CB-CG1 3.89Å; V66-D70 HydrophobicContact CG1-CB 4.08Å; V66-V71 HydrophobicContact CG1-CG2 4.02Å | ||
| 67 | D | 95.6 | Very high | 95 | Very high | 59 Ų | 59 | 78.9 Ų | 78.9 | 32% | 0.316 | 43% | 0.431 | S | S | . | . | trans | -94.7 | 165.4 | 178.8 | -66.2 | -29.5 | 0 | 0 | 0 | 111.8 | K63 D69 D70 V71 | K63-D67 WeakPolarHBondContact CD-OD2 3.33Å; K63-D67 WeakPolarHBondContact CE-OD2 3.4Å; K63-D67 IonicContact NZ-OD2 2.7Å; K63-D67 PolarHBondContact NZ-OD2 3.46Å; D67-D69 PolarHBondContact O-N 3.34Å; D67-D70 PolarHBondContact N-OD2 3.39Å; D67-D70 PolarHBondContact O-N 3.28Å; D67-D70 VanDerWaalsContact O-N 3.16Å; D67-V71 PolarHBondContact O-N 2.99Å | ||
| 68 | A | 95.6 | Very high | 94.7 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.8 | -30.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V71 R72 | A68-V71 PolarHBondContact O-N 3.38Å; A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.28Å; A68-R72 PolarHBondContact O-N 3.2Å |
| 69 | D | 95.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 80.9 Ų | 80.9 | 52% | 0.519 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.5 | -31.9 | 178.9 | -64.8 | -34.7 | 0 | 0 | 0 | 112.3 | D67 V71 R72 L73 | D67-D69 PolarHBondContact O-N 3.34Å; D69-V71 VanDerWaalsContact C-N 3.35Å; D69-R72 PolarHBondContact O-N 3.37Å; D69-R72 IonicContact OD1-NH1 3.04Å; D69-R72 PolarHBondContact OD1-NH1 2.84Å; D69-L73 WeakPolarHBondContact O-CB 3.44Å; D69-L73 PolarHBondContact O-N 3.34Å |
| 70 | D | 95.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 84 Ų | 84 | 6% | 0.064 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 174.4 | -58.8 | -43 | 0 | 0 | 0 | 110.5 | A54 V66 D67 L73 A74 | A54-D70 HydrophobicContact CB-CB 4.21Å; V66-D70 HydrophobicContact CG1-CB 4.08Å; D67-D70 PolarHBondContact N-OD2 3.39Å; D67-D70 PolarHBondContact O-N 3.28Å; D67-D70 VanDerWaalsContact O-N 3.16Å; D70-L73 PolarHBondContact O-N 2.9Å; D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.01Å |
| 71 | V | 96.3 | Very high | 93.3 | Very high | 43 Ų | 43 | 83.9 Ų | 83.9 | 26% | 0.261 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | I50 A54 V66 D67 A68 D69 L73 A74 I75 | I50-V71 HydrophobicContact CG2-CG1 4.19Å; A54-V71 HydrophobicContact CB-CG2 4.07Å; V66-V71 HydrophobicContact CG1-CG2 4.02Å; D67-V71 PolarHBondContact O-N 2.99Å; A68-V71 PolarHBondContact O-N 3.38Å; D69-V71 VanDerWaalsContact C-N 3.35Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.44Å; V71-A74 PolarHBondContact O-N 3.4Å; V71-I75 HydrophobicContact CG1-CD1 3.91Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 2.88Å |
| 72 | R | 96 | Very high | 92.6 | Very high | 156 Ų | 156 | 85.2 Ų | 85.2 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 176.2 | -76.9 | 168.1 | 177.3 | 172 | -4 | 111.6 | A68 D69 I75 Q76 | A68-R72 VanDerWaalsContact O-CG 3.26Å; A68-R72 WeakPolarHBondContact O-CG 3.28Å; A68-R72 PolarHBondContact O-N 3.2Å; D69-R72 PolarHBondContact O-N 3.37Å; D69-R72 IonicContact OD1-NH1 3.04Å; D69-R72 PolarHBondContact OD1-NH1 2.84Å; R72-I75 PolarHBondContact O-N 2.96Å; R72-Q76 WeakPolarHBondContact O-CG 3.39Å; R72-Q76 PolarHBondContact O-N 3.01Å |
| 73 | L | 95.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 81.7 Ų | 81.7 | 40% | 0.398 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -44.2 | 176.9 | -178.2 | 60.9 | 0 | 0 | 0 | 111.1 | Y57 D69 D70 V71 I75 Q76 C77 | Y57-L73 HydrophobicContact CD2-CB 4.14Å; Y57-L73 HydrophobicContact CD2-CD2 3.86Å; Y57-L73 HydrophobicContact CD2-CG 3.99Å; Y57-L73 HydrophobicContact CE2-CB 4.21Å; Y57-L73 HydrophobicContact CE2-CD2 4.07Å; Y57-L73 HydrophobicContact CE2-CG 3.81Å; Y57-L73 HydrophobicContact CG-CD2 4.14Å; D69-L73 WeakPolarHBondContact O-CB 3.44Å; D69-L73 PolarHBondContact O-N 3.34Å; D70-L73 PolarHBondContact O-N 2.9Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-L73 PolarHBondContact O-N 3.44Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.37Å; L73-Q76 PolarHBondContact O-N 3.47Å; L73-C77 PolarHBondContact O-N 2.9Å; L73-C77 PolarHBondContact O-SG 2.94Å; L73-C77 VanDerWaalsContact O-SG 3.41Å |
| 74 | A | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I50 D53 A54 Y57 D70 V71 R78 | I50-A74 HydrophobicContact CG2-CB 4.05Å; D53-A74 HydrophobicContact CB-CB 3.93Å; A54-A74 HydrophobicContact CB-CB 4.32Å; Y57-A74 HydrophobicContact CD2-CB 4.23Å; Y57-A74 HydrophobicContact CE2-CB 3.79Å; D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.01Å; V71-A74 PolarHBondContact O-N 3.4Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 VanDerWaalsContact O-CG 3.3Å; A74-R78 WeakPolarHBondContact O-CG 3.15Å; A74-R78 PolarHBondContact O-N 3.48Å; A74-R78 VanDerWaalsContact O-N 3.11Å |
| 75 | I | 94.6 | Very high | 90.4 | Very high | 76 Ų | 76 | 83.2 Ų | 83.2 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 175.9 | -67 | 165.9 | 0 | 0 | 0 | 110.9 | I50 V71 R72 L73 R78 A79 | I50-I75 HydrophobicContact CD1-CG1 4.39Å; I50-I75 HydrophobicContact CG2-CG1 4.01Å; V71-I75 HydrophobicContact CG1-CD1 3.91Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 VanDerWaalsContact O-CG1 3.3Å; V71-I75 WeakPolarHBondContact O-CG1 3.49Å; V71-I75 PolarHBondContact O-N 2.88Å; R72-I75 PolarHBondContact O-N 2.96Å; L73-I75 VanDerWaalsContact C-N 3.34Å; L73-I75 PolarHBondContact O-N 3.37Å; I75-R78 PolarHBondContact O-N 3.24Å; I75-A79 WeakPolarHBondContact O-CB 3.41Å; I75-A79 PolarHBondContact O-N 2.9Å |
| 76 | Q | 93.3 | Very high | 89.6 | Confident | 123 Ų | 123 | 84 Ų | 84 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.6 | -50.4 | 179.5 | -75.1 | 177.2 | -10.1 | 0 | 0 | 112 | R72 L73 R78 A79 D80 | R72-Q76 WeakPolarHBondContact O-CG 3.39Å; R72-Q76 PolarHBondContact O-N 3.01Å; L73-Q76 PolarHBondContact O-N 3.47Å; Q76-R78 PolarHBondContact O-N 3.03Å; Q76-A79 WeakPolarHBondContact O-CB 3.27Å; Q76-A79 PolarHBondContact O-N 3.24Å; Q76-A79 VanDerWaalsContact O-N 3.12Å; Q76-D80 PolarHBondContact O-N 3.17Å |
| 77 | C | 91.9 | Very high | 89.1 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 35% | 0.345 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60 | -35.7 | 179 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | L73 Q81 | L73-C77 PolarHBondContact O-N 2.9Å; L73-C77 PolarHBondContact O-SG 2.94Å; L73-C77 VanDerWaalsContact O-SG 3.41Å; C77-Q81 PolarHBondContact O-N 3.37Å |
| 78 | R | 90.4 | Very high | 88.8 | Confident | 69 Ų | 69 | 85 Ų | 85 | 26% | 0.26 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.7 | -37 | 176.5 | -76.6 | -88.3 | 170 | -165.3 | -6.7 | 112.8 | I50 D53 A74 I75 Q76 D80 Q81 S82 | I50-R78 HydrophobicContact CD1-CB 3.91Å; I50-R78 HydrophobicContact CD1-CG 3.63Å; D53-R78 IonicContact OD1-NH2 3.17Å; D53-R78 IonicContact OD2-CZ 2.74Å; D53-R78 IonicContact OD2-NE 3.49Å; D53-R78 PolarHBondContact OD2-NE 3.46Å; D53-R78 IonicContact OD2-NH2 3.74Å; D53-R78 PolarHBondContact OD2-NH2 3.35Å; D53-R78 VanDerWaalsContact OD2-NH2 3.17Å; A74-R78 WeakPolarHBondContact O-CB 3.35Å; A74-R78 VanDerWaalsContact O-CG 3.3Å; A74-R78 WeakPolarHBondContact O-CG 3.15Å; A74-R78 PolarHBondContact O-N 3.48Å; A74-R78 VanDerWaalsContact O-N 3.11Å; I75-R78 PolarHBondContact O-N 3.24Å; Q76-R78 PolarHBondContact O-N 3.03Å; R78-D80 VanDerWaalsContact C-N 3.33Å; R78-Q81 PolarHBondContact O-N 3.05Å; R78-S82 WeakPolarHBondContact O-CB 3.44Å; R78-S82 PolarHBondContact O-N 3.3Å |
| 79 | A | 88.1 | Confident | 88.7 | Confident | 34 Ų | 34 | 90.4 Ų | 90.4 | 28% | 0.281 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.7 | -49.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I75 Q76 Q81 S82 F83 | I75-A79 WeakPolarHBondContact O-CB 3.41Å; I75-A79 PolarHBondContact O-N 2.9Å; Q76-A79 WeakPolarHBondContact O-CB 3.27Å; Q76-A79 PolarHBondContact O-N 3.24Å; Q76-A79 VanDerWaalsContact O-N 3.12Å; A79-Q81 PolarHBondContact O-N 3.37Å; A79-S82 PolarHBondContact O-N 3.01Å; A79-F83 CarbonylContact O-C 3.52Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.23Å; A79-F83 PolarHBondContact O-N 3.5Å; A79-F83 VanDerWaalsContact O-O 3.07Å |
| 80 | D | 85.9 | Confident | 88.6 | Confident | 143 Ų | 143 | 90.9 Ų | 90.9 | 77% | 0.765 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -28 | -179.5 | -65 | -22.8 | 0 | 0 | 0 | 113.4 | Q76 R78 | Q76-D80 PolarHBondContact O-N 3.17Å; R78-D80 VanDerWaalsContact C-N 3.33Å |
| 81 | Q | 83.8 | Confident | 88.5 | Confident | 148 Ų | 148 | 96 Ų | 96 | 69% | 0.692 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -86.3 | -42.4 | 179.8 | -111.9 | 176.1 | 13.2 | 0 | 0 | 114.1 | C77 R78 A79 | C77-Q81 PolarHBondContact O-N 3.37Å; R78-Q81 PolarHBondContact O-N 3.05Å; A79-Q81 PolarHBondContact O-N 3.37Å |
| 82 | S | 79.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 98.2 Ų | 98.2 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -107 | -24.2 | -167.4 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | R78 A79 | R78-S82 WeakPolarHBondContact O-CB 3.44Å; R78-S82 PolarHBondContact O-N 3.3Å; A79-S82 PolarHBondContact O-N 3.01Å |
| 83 | F | 77.7 | Confident | 88.3 | Confident | 124 Ų | 124 | 94 Ų | 94 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | trans | -109.7 | 106 | -177.5 | -65.3 | -91.8 | 0 | 0 | 0 | 109.3 | Y46 A79 S85 | Y46-F83 HydrophobicContact CE2-CE2 4.47Å; A79-F83 CarbonylContact O-C 3.52Å; A79-F83 WeakPolarHBondContact O-CA 3.34Å; A79-F83 WeakPolarHBondContact O-CB 3.23Å; A79-F83 PolarHBondContact O-N 3.5Å; A79-F83 VanDerWaalsContact O-O 3.07Å; F83-S85 PolarHBondContact O-N 3.42Å | ||
| 84 | T | 81.3 | Confident | 88.3 | Confident | 135 Ų | 135 | 94.5 Ų | 94.5 | 83% | 0.828 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -75 | 120.3 | 167.4 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | ||
| 85 | S | 75.4 | Confident | 88.3 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 143 | 156.7 | 50.9 | 0 | 0 | 0 | 0 | 107.9 | F83 | F83-S85 PolarHBondContact O-N 3.42Š|
| 86 | P | 79.1 | Confident | 88.3 | Confident | 113 Ų | 113 | 96 Ų | 96 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -59 | 135.5 | 170.5 | 24.8 | -31.7 | 0 | 0 | 0 | 108.1 | ||
| 87 | P | 83.6 | Confident | 88.4 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 145.3 | -178.6 | 21.2 | -31.4 | 0 | 0 | 0 | 110.4 | F91 L92 | P87-F91 HydrophobicContact CB-CD1 3.94Å; P87-L92 HydrophobicContact CG-CD1 4.24Å; P87-L92 HydrophobicContact CG-CD2 3.98Å; P87-L92 HydrophobicContact CG-CG 4.1Å |
| 88 | P | 90.8 | Very high | 88.6 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 58% | 0.584 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 143.5 | 179.1 | -26.5 | 34.1 | 0 | 0 | 0 | 111.9 | D90 F91 L92 | P88-D90 PolarHBondContact O-N 3.25Å; P88-F91 WeakPolarHBondContact O-CB 3.47Å; P88-F91 PolarHBondContact O-N 2.93Å; P88-F91 VanDerWaalsContact O-N 3.09Å; P88-L92 PolarHBondContact O-N 3.27Å |
| 89 | R | 92.4 | Very high | 88.8 | Confident | 177 Ų | 177 | 106.8 Ų | 106.8 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -55.1 | -39 | -179.1 | -178.1 | 175.4 | 179.6 | -86.4 | -1.8 | 112.2 | F91 L92 L93 | R89-F91 VanDerWaalsContact C-N 3.34Å; R89-F91 PolarHBondContact O-N 3.07Å; R89-L92 PolarHBondContact O-N 3.39Å; R89-L93 HydrophobicContact CG-CD1 4.33Å; R89-L93 HydrophobicContact CG-CG 4.41Å; R89-L93 VanDerWaalsContact NH1-CD1 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 2.97Å |
| 90 | D | 93 | Very high | 89.1 | Confident | 108 Ų | 108 | 111.4 Ų | 111.4 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.8 | -38.6 | -178.6 | -58.4 | -38 | 0 | 0 | 0 | 111.8 | P88 L92 L93 D94 | P88-D90 PolarHBondContact O-N 3.25Å; D90-L92 PolarHBondContact O-N 3.46Å; D90-L93 WeakPolarHBondContact O-CB 3.22Å; D90-L93 PolarHBondContact O-N 2.87Å; D90-D94 PolarHBondContact O-N 3.08Å |
| 91 | F | 93.7 | Very high | 89.5 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.9 | -43.3 | 173.5 | 179.9 | -104.9 | 0 | 0 | 0 | 111.7 | P87 P88 R89 L93 D94 I95 | P87-F91 HydrophobicContact CB-CD1 3.94Å; P88-F91 WeakPolarHBondContact O-CB 3.47Å; P88-F91 PolarHBondContact O-N 2.93Å; P88-F91 VanDerWaalsContact O-N 3.09Å; R89-F91 VanDerWaalsContact C-N 3.34Å; R89-F91 PolarHBondContact O-N 3.07Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.97Å; F91-D94 PolarHBondContact O-N 3.36Å; F91-I95 HydrophobicContact CD1-CD1 3.82Å; F91-I95 HydrophobicContact CE1-CD1 3.36Å; F91-I95 HydrophobicContact CE1-CG1 4.45Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.69Å; F91-I95 HydrophobicContact CZ-CG1 4.47Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.01Å; F91-I95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 93.9 | Very high | 89.9 | Confident | 90 Ų | 90 | 109 Ų | 109 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -36.3 | 174.7 | -70.3 | 176 | 0 | 0 | 0 | 112.3 | P87 P88 R89 D90 A96 | P87-L92 HydrophobicContact CG-CD1 4.24Å; P87-L92 HydrophobicContact CG-CD2 3.98Å; P87-L92 HydrophobicContact CG-CG 4.1Å; P88-L92 PolarHBondContact O-N 3.27Å; R89-L92 PolarHBondContact O-N 3.39Å; D90-L92 PolarHBondContact O-N 3.46Å; L92-A96 VanDerWaalsContact O-CB 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.44Å; L92-A96 PolarHBondContact O-N 3.44Å |
| 93 | L | 95.6 | Very high | 90.5 | Very high | 68 Ų | 68 | 110.5 Ų | 110.5 | 36% | 0.356 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -37.5 | 176.3 | -76.4 | 178.1 | 0 | 0 | 0 | 112.6 | R89 D90 F91 A96 R97 | R89-L93 HydrophobicContact CG-CD1 4.33Å; R89-L93 HydrophobicContact CG-CG 4.41Å; R89-L93 VanDerWaalsContact NH1-CD1 3.31Å; R89-L93 WeakPolarHBondContact O-CG 3.36Å; R89-L93 PolarHBondContact O-N 2.97Å; D90-L93 WeakPolarHBondContact O-CB 3.22Å; D90-L93 PolarHBondContact O-N 2.87Å; F91-L93 VanDerWaalsContact C-N 3.33Å; F91-L93 PolarHBondContact O-N 2.97Å; L93-A96 PolarHBondContact O-N 2.9Å; L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 3.44Å |
| 94 | D | 94.9 | Very high | 91 | Very high | 85 Ų | 85 | 112.3 Ų | 112.3 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.6 | -42.7 | 176.1 | -74.2 | -23.6 | 0 | 0 | 0 | 111.4 | D90 F91 A96 R97 Q98 | D90-D94 PolarHBondContact O-N 3.08Å; F91-D94 PolarHBondContact O-N 3.36Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 2.86Å; D94-R97 PolarHBondContact O-N 3.3Å; D94-R97 IonicContact OD1-CZ 2.91Å; D94-R97 IonicContact OD1-NH1 3.9Å; D94-R97 PolarHBondContact OD1-NH1 3.37Å; D94-Q98 PolarHBondContact O-N 3.48Å |
| 95 | I | 95 | Very high | 91.3 | Very high | 71 Ų | 71 | 111.2 Ų | 111.2 | 36% | 0.364 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.8 | -47 | 171 | -67.1 | 169.7 | 0 | 0 | 0 | 110.1 | F91 R97 Q98 R99 | F91-I95 HydrophobicContact CD1-CD1 3.82Å; F91-I95 HydrophobicContact CE1-CD1 3.36Å; F91-I95 HydrophobicContact CE1-CG1 4.45Å; F91-I95 HydrophobicContact CE2-CD1 4.39Å; F91-I95 HydrophobicContact CZ-CD1 3.69Å; F91-I95 HydrophobicContact CZ-CG1 4.47Å; F91-I95 WeakPolarHBondContact O-CG1 3.49Å; F91-I95 PolarHBondContact O-N 3.01Å; F91-I95 VanDerWaalsContact O-N 3.1Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.39Å; I95-Q98 PolarHBondContact O-N 2.93Å; I95-R99 HydrophobicContact CG2-CG 4.15Å; I95-R99 WeakPolarHBondContact O-CB 3.42Å; I95-R99 VanDerWaalsContact O-CG 3.27Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.29Å |
| 96 | A | 95.4 | Very high | 91.7 | Very high | 36 Ų | 36 | 115 Ų | 115 | 30% | 0.298 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.6 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L92 L93 D94 Q98 R99 N100 | L92-A96 VanDerWaalsContact O-CB 3.31Å; L92-A96 WeakPolarHBondContact O-CB 3.44Å; L92-A96 PolarHBondContact O-N 3.44Å; L93-A96 PolarHBondContact O-N 2.9Å; D94-A96 VanDerWaalsContact C-N 3.33Å; D94-A96 PolarHBondContact O-N 2.86Å; A96-Q98 PolarHBondContact O-N 3.01Å; A96-R99 PolarHBondContact O-N 3.46Å; A96-N100 WeakPolarHBondContact O-CB 3.32Å; A96-N100 PolarHBondContact O-N 3.34Å; A96-N100 PolarHBondContact O-ND2 3.29Å; A96-N100 PolarHBondContact O-OD1 3.22Å |
| 97 | R | 95.7 | Very high | 91.8 | Very high | 152 Ų | 152 | 117.6 Ų | 117.6 | 57% | 0.574 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.9 | -46.2 | 176.8 | -168.1 | -174.1 | -65.4 | 120.8 | 1.2 | 110.8 | L93 D94 I95 Q101 | L93-R97 WeakPolarHBondContact O-CB 3.42Å; L93-R97 PolarHBondContact O-N 3.44Å; D94-R97 PolarHBondContact O-N 3.3Å; D94-R97 IonicContact OD1-CZ 2.91Å; D94-R97 IonicContact OD1-NH1 3.9Å; D94-R97 PolarHBondContact OD1-NH1 3.37Å; I95-R97 VanDerWaalsContact C-N 3.34Å; I95-R97 PolarHBondContact O-N 3.39Å; R97-Q101 VanDerWaalsContact O-CG 3.28Å; R97-Q101 WeakPolarHBondContact O-CG 3.41Å; R97-Q101 PolarHBondContact O-N 3.21Å |
| 98 | Q | 95.8 | Very high | 91.3 | Very high | 136 Ų | 136 | 123.2 Ų | 123.2 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.7 | -43.2 | 178.3 | -173.7 | -178.2 | -1.9 | 0 | 0 | 112.3 | D94 I95 A96 | D94-Q98 PolarHBondContact O-N 3.48Å; I95-Q98 PolarHBondContact O-N 2.93Å; A96-Q98 PolarHBondContact O-N 3.01Å |
| 99 | R | 94 | Very high | 90.6 | Very high | 183 Ų | 183 | 125.6 Ų | 125.6 | 69% | 0.691 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.9 | -39.8 | 179.5 | -65.4 | -61.1 | -66.2 | 170.1 | -3.5 | 112.2 | I95 A96 Q101 T102 | I95-R99 HydrophobicContact CG2-CG 4.15Å; I95-R99 WeakPolarHBondContact O-CB 3.42Å; I95-R99 VanDerWaalsContact O-CG 3.27Å; I95-R99 WeakPolarHBondContact O-CG 3.33Å; I95-R99 PolarHBondContact O-N 3.29Å; A96-R99 PolarHBondContact O-N 3.46Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 2.91Å; R99-T102 PolarHBondContact O-N 3.17Å |
| 100 | N | 94.8 | Very high | 89.3 | Confident | 130 Ų | 130 | 126.7 Ų | 126.7 | 70% | 0.695 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.7 | -8.5 | -177.4 | -63.7 | -13.1 | 0 | 0 | 0 | 113.6 | A96 T102 | A96-N100 WeakPolarHBondContact O-CB 3.32Å; A96-N100 PolarHBondContact O-N 3.34Å; A96-N100 PolarHBondContact O-ND2 3.29Å; A96-N100 PolarHBondContact O-OD1 3.22Å; N100-T102 PolarHBondContact O-N 2.78Å |
| 101 | Q | 95 | Very high | 88 | Confident | 141 Ų | 141 | 127.3 Ų | 127.3 | 66% | 0.659 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -23.4 | 170.3 | -80.9 | 166 | 18.2 | 0 | 0 | 112.8 | R97 R99 P103 | R97-Q101 VanDerWaalsContact O-CG 3.28Å; R97-Q101 WeakPolarHBondContact O-CG 3.41Å; R97-Q101 PolarHBondContact O-N 3.21Å; R99-Q101 VanDerWaalsContact C-N 3.27Å; R99-Q101 PolarHBondContact O-N 2.91Å; Q101-P103 WeakPolarHBondContact O-CD 3.45Å |
| 102 | T | 92.4 | Very high | 87.2 | Confident | 100 Ų | 100 | 123.9 Ų | 123.9 | 61% | 0.613 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -81.1 | 114.9 | 178.1 | -50 | 0 | 0 | 0 | 0 | 108.6 | R99 N100 | R99-T102 PolarHBondContact O-N 3.17Å; N100-T102 PolarHBondContact O-N 2.78Å |
| 103 | P | 90.6 | Very high | 86.4 | Confident | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 151.6 | 179.2 | 28 | -34.7 | 0 | 0 | 0 | 110.3 | Q101 | Q101-P103 WeakPolarHBondContact O-CD 3.45Š|
| 104 | L | 88.9 | Confident | 85.4 | Confident | 163 Ų | 163 | 133.1 Ų | 133.1 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 140.8 | 178.6 | -63.7 | 174.5 | 0 | 0 | 0 | 110.5 | ||
| 105 | P | 87.3 | Confident | 84.8 | Confident | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.7 | 172.9 | -22.6 | 33 | 0 | 0 | 0 | 111.4 | I107 | P105-I107 PolarHBondContact O-N 3.43Š|
| 106 | L | 83.4 | Confident | 84.3 | Confident | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128 | 177.8 | -68.8 | 90.7 | 0 | 0 | 0 | 110.7 | K108 | L106-K108 PolarHBondContact O-N 2.96Š|
| 107 | I | 81.3 | Confident | 83.7 | Confident | 167 Ų | 167 | 136.5 Ų | 136.5 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | trans | -79.7 | 115.4 | 175.7 | -54.4 | 174.3 | 0 | 0 | 0 | 107.7 | P105 | P105-I107 PolarHBondContact O-N 3.43Š| ||
| 108 | K | 73.8 | Confident | 83 | Confident | 179 Ų | 179 | 135.2 Ų | 135.2 | 78% | 0.778 | 72% | 0.716 | S | S | * | * | trans | -75.5 | 142.7 | 170.5 | -66.8 | -171.6 | -179.3 | -173.9 | 0 | 109.2 | L106 Y110 | L106-K108 PolarHBondContact O-N 2.96Å; K108-Y110 PolarHBondContact O-N 2.99Å | ||
| 109 | P | 75 | Confident | 82.3 | Confident | 140 Ų | 140 | 139 Ų | 139 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -74.6 | 42.2 | -177.4 | 31.7 | -36.4 | 0 | 0 | 0 | 113.5 | ||
| 110 | Y | 66.3 | Low | 81.7 | Confident | 200 Ų | 200 | 138.1 Ų | 138.1 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | trans | -95.1 | 130.3 | 175.8 | -170.1 | -98.1 | 0 | 0 | 0 | 109.8 | K108 G112 | K108-Y110 PolarHBondContact O-N 2.99Å; Y110-G112 PolarHBondContact O-N 3.41Å | ||
| 111 | S | 64.8 | Low | 81.2 | Confident | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -74.1 | 94.9 | 178.8 | -52.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 112 | G | 77.1 | Confident | 80.7 | Confident | 48 Ų | 48 | 135 Ų | 135 | 50% | 0.495 | 71% | 0.711 | S | S | . | * | S | Bend | trans | 158.3 | 162.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y110 R114 | Y110-G112 PolarHBondContact O-N 3.41Å; G112-R114 PolarHBondContact O-N 2.76Å |
| 113 | P | 77.3 | Confident | 80.2 | Confident | 127 Ų | 127 | 134.9 Ų | 134.9 | 83% | 0.825 | 71% | 0.71 | S | S | * | * | trans | -66.3 | 126.4 | 175.5 | 25.7 | -31 | 0 | 0 | 0 | 110.8 | L115 | P113-L115 PolarHBondContact O-N 2.97Š| ||
| 114 | R | 74.8 | Confident | 79.8 | Confident | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -81.5 | 106 | 176.8 | -174.7 | 173.1 | -175.5 | -94.1 | 1.1 | 109.8 | G112 | G112-R114 PolarHBondContact O-N 2.76Š| ||
| 115 | L | 81.9 | Confident | 79.3 | Confident | 127 Ų | 127 | 130.3 Ų | 130.3 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -67 | 147.8 | 168.1 | -64.5 | 176.2 | 0 | 0 | 0 | 110.3 | P113 | P113-L115 PolarHBondContact O-N 2.97Š|
| 116 | P | 83.9 | Confident | 79 | Confident | 68 Ų | 68 | 132.3 Ų | 132.3 | 44% | 0.442 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 161.3 | 163.9 | -24.3 | 35.2 | 0 | 0 | 0 | 111.4 | C121 | P116-C121 PolarHBondContact O-SG 3.42Š|
| 117 | P | 83.5 | Confident | 79 | Confident | 68 Ų | 68 | 132.9 Ų | 132.9 | 44% | 0.442 | 69% | 0.692 | S | S | . | * | P | Polyproline II helix | trans | -49.8 | 145.2 | 169.3 | -23.9 | 30 | 0 | 0 | 0 | 111.3 | R119 Y120 C121 | P117-R119 PolarHBondContact O-N 3.26Å; P117-Y120 HydrophobicContact CB-CD2 3.87Å; P117-Y120 HydrophobicContact CB-CE2 4.27Å; P117-Y120 HydrophobicContact CG-CD2 3.87Å; P117-Y120 HydrophobicContact CG-CE2 4.11Å; P117-Y120 WeakPolarHBondContact O-CA 3.45Å; P117-Y120 PolarHBondContact O-N 2.96Å; P117-C121 PolarHBondContact O-N 3.08Å |
| 118 | D | 80.5 | Confident | 79.1 | Confident | 125 Ų | 125 | 136.2 Ų | 136.2 | 67% | 0.668 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -51.7 | -32.4 | -172.5 | -169.5 | 56.3 | 0 | 0 | 0 | 114 | Y120 C121 | D118-Y120 PolarHBondContact O-N 3.15Å; D118-C121 WeakPolarHBondContact O-CB 3.42Å; D118-C121 PolarHBondContact O-N 3.44Å |
| 119 | R | 80.9 | Confident | 79.4 | Confident | 215 Ų | 215 | 135.2 Ų | 135.2 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -60.8 | -23.5 | 174.1 | -61.3 | -173.7 | -64.2 | -175.5 | -0.7 | 114.8 | P117 | P117-R119 PolarHBondContact O-N 3.26Š|
| 120 | Y | 82.3 | Confident | 79.7 | Confident | 165 Ų | 165 | 137.8 Ų | 137.8 | 65% | 0.647 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -105.1 | 3.3 | 176.3 | -53.1 | -69.1 | 0 | 0 | 0 | 111.9 | P117 D118 | P117-Y120 HydrophobicContact CB-CD2 3.87Å; P117-Y120 HydrophobicContact CB-CE2 4.27Å; P117-Y120 HydrophobicContact CG-CD2 3.87Å; P117-Y120 HydrophobicContact CG-CE2 4.11Å; P117-Y120 WeakPolarHBondContact O-CA 3.45Å; P117-Y120 PolarHBondContact O-N 2.96Å; D118-Y120 PolarHBondContact O-N 3.15Å |
| 121 | C | 84.9 | Confident | 80.2 | Confident | 22 Ų | 22 | 133.1 Ų | 133.1 | 15% | 0.149 | 69% | 0.689 | C | S | . | * | trans | -90.9 | 133 | 172.9 | -73.7 | 0 | 0 | 0 | 0 | 109.8 | P116 P117 D118 T123 | P116-C121 PolarHBondContact O-SG 3.42Å; P117-C121 PolarHBondContact O-N 3.08Å; D118-C121 WeakPolarHBondContact O-CB 3.42Å; D118-C121 PolarHBondContact O-N 3.44Å; C121-T123 HydrophobicContact CB-CG2 4.22Å; C121-T123 PolarHBondContact O-N 3.06Å; C121-T123 VanDerWaalsContact O-N 3.08Å | ||
| 122 | L | 83.4 | Confident | 80.6 | Confident | 185 Ų | 185 | 135.4 Ų | 135.4 | 97% | 0.969 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 39.5 | 175.2 | -61.5 | 174.7 | 0 | 0 | 0 | 111.7 | ||
| 123 | T | 82.9 | Confident | 80.1 | Confident | 97 Ų | 97 | 141.7 Ų | 141.7 | 60% | 0.595 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -23.4 | -178.8 | 42.6 | 0 | 0 | 0 | 0 | 112.5 | C121 | C121-T123 HydrophobicContact CB-CG2 4.22Å; C121-T123 PolarHBondContact O-N 3.06Å; C121-T123 VanDerWaalsContact O-N 3.08Å |
| 124 | A | 80.7 | Confident | 79.2 | Confident | 71 Ų | 71 | 144.6 Ų | 144.6 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -73.9 | 135.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N126 | A124-N126 PolarHBondContact O-N 3.31Å; A124-N126 VanDerWaalsContact O-N 3.15Å |
| 125 | P | 79.9 | Confident | 78.5 | Confident | 106 Ų | 106 | 143.5 Ų | 143.5 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | trans | -61.7 | 118.8 | 174.5 | 22.4 | -30 | 0 | 0 | 0 | 110.4 | Y127 | P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 PolarHBondContact O-N 3.26Å | ||
| 126 | N | 80.1 | Confident | 77.4 | Confident | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -86.6 | 8.1 | 177.8 | 65.8 | -14.8 | 0 | 0 | 0 | 113.2 | A124 | A124-N126 PolarHBondContact O-N 3.31Å; A124-N126 VanDerWaalsContact O-N 3.15Å | ||
| 127 | Y | 83.9 | Confident | 76 | Confident | 183 Ų | 183 | 143.4 Ų | 143.4 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -133.1 | 142.9 | 178.2 | 65.2 | -86.7 | 0 | 0 | 0 | 110.6 | P125 | P125-Y127 VanDerWaalsContact C-N 3.26Å; P125-Y127 PolarHBondContact O-N 3.26Å | ||
| 128 | R | 82.4 | Confident | 74.7 | Confident | 237 Ų | 237 | 144.4 Ų | 144.4 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -121.6 | 119.1 | 170.2 | -173.2 | 173.8 | 175.6 | 173 | -1.3 | 107.6 | K130 | R128-K130 PolarHBondContact O-N 3.18Š| ||
| 129 | L | 81.6 | Confident | 73.1 | Confident | 157 Ų | 157 | 144.3 Ų | 144.3 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | -63.4 | 120.4 | 174.6 | -168.7 | 71.8 | 0 | 0 | 0 | 108.1 | S131 | L129-S131 PolarHBondContact O-N 3.48Š| ||
| 130 | K | 79.5 | Confident | 71.8 | Confident | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -67.7 | 114.3 | 166.8 | -72.5 | -178.3 | 176.4 | 178.6 | 0 | 106.3 | R128 L132 | R128-K130 PolarHBondContact O-N 3.18Å; K130-L132 PolarHBondContact O-N 3.22Å; K130-L132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | S | 77.8 | Confident | 70.4 | Confident | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -57.8 | 118.1 | 172.3 | 54.8 | 0 | 0 | 0 | 0 | 107.9 | L129 Q133 | L129-S131 PolarHBondContact O-N 3.48Å; S131-Q133 PolarHBondContact O-N 3.19Å | ||
| 132 | L | 72.3 | Confident | 68.5 | Low | 168 Ų | 168 | 144.9 Ų | 144.9 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 114.2 | 166.1 | -132.2 | 83.7 | 0 | 0 | 0 | 105.6 | K130 K134 | K130-L132 PolarHBondContact O-N 3.22Å; K130-L132 VanDerWaalsContact O-N 3.08Å; L132-K134 VanDerWaalsContact C-N 3.27Å; L132-K134 PolarHBondContact O-N 3.08Å | ||
| 133 | Q | 67.4 | Low | 67 | Low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 100.9 | 167.8 | -74.7 | -174.9 | -21.6 | 0 | 0 | 106.2 | S131 K135 | S131-Q133 PolarHBondContact O-N 3.19Å; Q133-K135 VanDerWaalsContact C-N 3.25Å; Q133-K135 PolarHBondContact O-N 3.05Å | ||
| 134 | K | 58.4 | Low | 65.6 | Low | 188 Ų | 188 | 145.3 Ų | 145.3 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | -62.7 | 98.2 | 167.3 | -173.8 | 173.7 | -177.4 | 175.6 | 0 | 104.9 | L132 A136 | L132-K134 VanDerWaalsContact C-N 3.27Å; L132-K134 PolarHBondContact O-N 3.08Å; K134-A136 VanDerWaalsContact C-N 3.3Å; K134-A136 PolarHBondContact O-N 2.81Å | ||
| 135 | K | 60.5 | Low | 63.9 | Low | 200 Ų | 200 | 148 Ų | 148 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -54 | 106.3 | 163 | -105.1 | -177.4 | 175.9 | 178.7 | 0 | 104.7 | Q133 | Q133-K135 VanDerWaalsContact C-N 3.25Å; Q133-K135 PolarHBondContact O-N 3.05Å | ||
| 136 | A | 58 | Low | 62.4 | Low | 79 Ų | 79 | 148.9 Ų | 148.9 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 133.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | K134 A138 | K134-A136 VanDerWaalsContact C-N 3.3Å; K134-A136 PolarHBondContact O-N 2.81Å; A136-A138 PolarHBondContact O-N 2.84Å; A136-A138 VanDerWaalsContact O-N 3.09Å |
| 137 | P | 54 | Low | 61 | Low | 115 Ų | 115 | 152.9 Ų | 152.9 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 122.7 | 168 | 23.8 | -29.6 | 0 | 0 | 0 | 106.7 | ||
| 138 | A | 56.3 | Low | 59 | Low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 130.6 | 179 | 0 | 0 | 0 | 0 | 0 | 108.5 | A136 A140 | A136-A138 PolarHBondContact O-N 2.84Å; A136-A138 VanDerWaalsContact O-N 3.09Å; A138-A140 PolarHBondContact O-N 3.31Å |
| 139 | P | 48.7 | Very low | 57.4 | Low | 123 Ų | 123 | 145.9 Ų | 145.9 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125.2 | 170.5 | 25.8 | -31 | 0 | 0 | 0 | 107.9 | G141 | P139-G141 PolarHBondContact O-N 2.86Š|
| 140 | A | 53.8 | Low | 55.8 | Low | 110 Ų | 110 | 144.9 Ų | 144.9 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -58 | 124.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | A138 | A138-A140 PolarHBondContact O-N 3.31Š|
| 141 | G | 51.5 | Low | 53.9 | Low | 71 Ų | 71 | 138.7 Ų | 138.7 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | 113.9 | 81.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116 | P139 | P139-G141 PolarHBondContact O-N 2.86Š| ||
| 142 | R | 44.7 | Very low | 52.4 | Low | 233 Ų | 233 | 139.5 Ų | 139.5 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | -178.1 | 115.5 | 126.8 | -111.3 | 176.2 | 170.8 | 168.3 | -2.8 | 109.2 | T144 | R142-T144 PolarHBondContact O-N 3.09Å; R142-T144 VanDerWaalsContact O-N 3.12Å | |||
| 143 | I | 53.5 | Low | 51 | Low | 171 Ų | 171 | 138.2 Ų | 138.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -64.2 | 111 | 167.8 | -61 | 165.1 | 0 | 0 | 0 | 106.4 | ||||
| 144 | T | 52 | Low | 49.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 73% | 0.73 | 80% | 0.801 | S | S | * | * | trans | -120.7 | 124.3 | 164.3 | 53.4 | 0 | 0 | 0 | 0 | 107.1 | R142 | R142-T144 PolarHBondContact O-N 3.09Å; R142-T144 VanDerWaalsContact O-N 3.12Å | ||
| 145 | V | 46.7 | Very low | 49.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -64.7 | 139.1 | -177.8 | -72.8 | 0 | 0 | 0 | 0 | 110.4 | R147 | V145-R147 PolarHBondContact O-N 3.25Š| ||
| 146 | P | 46.5 | Very low | 48.6 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -72.7 | 119.8 | 179.2 | -8.4 | 23.8 | 0 | 0 | 0 | 110.3 | ||||
| 147 | R | 51 | Low | 48.1 | Very low | 237 Ų | 237 | 135 Ų | 135 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | trans | -81.8 | 114.3 | 164 | -175.3 | -166.1 | 175.8 | 177.7 | 1.2 | 108.4 | V145 S149 | V145-R147 PolarHBondContact O-N 3.25Å; R147-S149 PolarHBondContact O-N 3.22Å | ||
| 148 | L | 42.8 | Very low | 47.8 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | trans | -61.2 | 114.8 | 169.3 | -83.4 | 138.1 | 0 | 0 | 0 | 109.9 | ||||
| 149 | S | 49.4 | Very low | 47.3 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -99.6 | 114.1 | 163.8 | 175.8 | 0 | 0 | 0 | 0 | 107.5 | R147 G151 | R147-S149 PolarHBondContact O-N 3.22Å; S149-G151 PolarHBondContact O-N 3.12Å | ||
| 150 | V | 46.3 | Very low | 47.2 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 82% | 0.824 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 118.3 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | ||
| 151 | G | 40.6 | Very low | 46.7 | Very low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | S149 | S149-G151 PolarHBondContact O-N 3.12Š|
| 152 | S | 46.1 | Very low | 46.4 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 126.7 | 166.6 | 54 | 0 | 0 | 0 | 0 | 109.5 | ||
| 153 | V | 43.4 | Very low | 46.5 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137.2 | 168.3 | -44.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 154 | S | 44 | Very low | 46 | Very low | 115 Ų | 115 | 137.8 Ų | 137.8 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -142.9 | 135.1 | 160 | 62.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 155 | S | 42.7 | Very low | 45.4 | Very low | 196 Ų | 196 | 139.5 Ų | 139.5 | 100% | 1.371 | 86% | 0.859 | S | S | * | * | trans | -58.3 | 0 | -173.7 | -49.3 | 0 | 0 | 0 | 0 | 116.2 |
Retrieved 155 of 155 residues in 106.8 ms
(Link to these results)