| 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 | 67.8 | Low | 87.8 | Confident | 207 Ų | 207 | 128.7 Ų | 128.7 | 100% | 1.02 | 60% | 0.604 | S | S | * | * | 0 | -42 | 0 | -154.7 | 170.1 | -180 | 0 | 0 | 113.4 | V3 K4 | M1-V3 PolarHBondContact O-N 3.3Å; M1-K4 PolarHBondContact O-N 2.99Å | |||
| 2 | K | 78.4 | Confident | 88.4 | Confident | 183 Ų | 183 | 130.1 Ų | 130.1 | 80% | 0.796 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.8 | -41.6 | 179.7 | -66.4 | -176.7 | -177.8 | 178.8 | 0 | 114.7 | K4 V5 E6 | K2-K4 PolarHBondContact O-N 3.29Å; K2-V5 WeakPolarHBondContact O-CB 3.46Å; K2-V5 PolarHBondContact O-N 3.13Å; K2-E6 PolarHBondContact O-N 2.98Å; K2-E6 VanDerWaalsContact O-N 3.12Å |
| 3 | V | 81.5 | Confident | 88.9 | Confident | 103 Ų | 103 | 132.3 Ų | 132.3 | 62% | 0.624 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.8 | -47.1 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 112 | M1 V5 E6 E7 | M1-V3 PolarHBondContact O-N 3.3Å; V3-V5 PolarHBondContact O-N 3.3Å; V3-E6 PolarHBondContact O-N 2.92Å; V3-E7 HydrophobicContact CG1-CG 4.42Å; V3-E7 WeakPolarHBondContact O-CG 3.34Å; V3-E7 PolarHBondContact O-N 3.25Å |
| 4 | K | 88.1 | Confident | 89.4 | Confident | 150 Ų | 150 | 129.1 Ų | 129.1 | 65% | 0.652 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.1 | -29.9 | 177.1 | -68.6 | -171.7 | 176.1 | -176.5 | 0 | 113.5 | M1 K2 R8 | M1-K4 PolarHBondContact O-N 2.99Å; K2-K4 PolarHBondContact O-N 3.29Å; K4-R8 WeakPolarHBondContact O-CG 3.07Å; K4-R8 PolarHBondContact O-N 3.04Å |
| 5 | V | 91 | Very high | 89.7 | Confident | 69 Ų | 69 | 123.9 Ų | 123.9 | 42% | 0.418 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.2 | -43.3 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | K2 V3 R8 K9 | K2-V5 WeakPolarHBondContact O-CB 3.46Å; K2-V5 PolarHBondContact O-N 3.13Å; V3-V5 PolarHBondContact O-N 3.3Å; V5-R8 PolarHBondContact O-N 3.45Å; V5-K9 WeakPolarHBondContact O-CG 3.37Å; V5-K9 PolarHBondContact O-N 3.39Å |
| 6 | E | 91.5 | Very high | 90.1 | Very high | 92 Ų | 92 | 121.1 Ų | 121.1 | 43% | 0.43 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.1 | -38.7 | 178.3 | -67.5 | -52.7 | 129.6 | 0 | 0 | 112.3 | K2 V3 R8 K9 A10 | K2-E6 PolarHBondContact O-N 2.98Å; K2-E6 VanDerWaalsContact O-N 3.12Å; V3-E6 PolarHBondContact O-N 2.92Å; E6-R8 PolarHBondContact O-N 3.16Å; E6-K9 PolarHBondContact O-N 2.92Å; E6-K9 IonicContact OE1-NZ 2.8Å; E6-K9 PolarHBondContact OE1-NZ 3.49Å; E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 2.83Å |
| 7 | E | 92.5 | Very high | 90.4 | Very high | 116 Ų | 116 | 120.8 Ų | 120.8 | 54% | 0.542 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.5 | -46.1 | 171.6 | -73 | 170 | 170.8 | 0 | 0 | 111.7 | V3 K9 A10 Y11 | V3-E7 HydrophobicContact CG1-CG 4.42Å; V3-E7 WeakPolarHBondContact O-CG 3.34Å; V3-E7 PolarHBondContact O-N 3.25Å; E7-K9 PolarHBondContact O-N 3.24Å; E7-A10 PolarHBondContact O-N 3.48Å; E7-Y11 WeakPolarHBondContact O-CB 3.42Å; E7-Y11 PolarHBondContact O-N 3.38Å |
| 8 | R | 93.2 | Very high | 90.7 | Very high | 196 Ų | 196 | 120.4 Ų | 120.4 | 74% | 0.74 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.1 | -39.2 | 176.6 | -76.6 | 179.4 | -179.4 | -169.6 | 0.1 | 112.6 | K4 V5 E6 K12 | K4-R8 WeakPolarHBondContact O-CG 3.07Å; K4-R8 PolarHBondContact O-N 3.04Å; V5-R8 PolarHBondContact O-N 3.45Å; E6-R8 PolarHBondContact O-N 3.16Å; R8-K12 WeakPolarHBondContact O-CB 3.42Å; R8-K12 PolarHBondContact O-N 2.94Å |
| 9 | K | 94.2 | Very high | 90.9 | Very high | 104 Ų | 104 | 121.7 Ų | 121.7 | 45% | 0.452 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67 | -41.7 | 175.7 | -72.4 | 176.6 | -174.5 | 167.8 | 0 | 111.7 | V5 E6 E7 K12 R13 | V5-K9 WeakPolarHBondContact O-CG 3.37Å; V5-K9 PolarHBondContact O-N 3.39Å; E6-K9 PolarHBondContact O-N 2.92Å; E6-K9 IonicContact OE1-NZ 2.8Å; E6-K9 PolarHBondContact OE1-NZ 3.49Å; E7-K9 PolarHBondContact O-N 3.24Å; K9-K12 PolarHBondContact O-N 2.9Å; K9-R13 WeakPolarHBondContact O-CG 3.32Å; K9-R13 PolarHBondContact O-N 2.92Å |
| 10 | A | 93.5 | Very high | 91.1 | Very high | 46 Ų | 46 | 121.7 Ų | 121.7 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.1 | -49.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | E6 E7 K12 R13 E14 | E6-A10 WeakPolarHBondContact O-CB 3.44Å; E6-A10 PolarHBondContact O-N 2.83Å; E7-A10 PolarHBondContact O-N 3.48Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 3.13Å; A10-R13 PolarHBondContact O-N 3.47Å; A10-R13 VanDerWaalsContact O-N 3.14Å; A10-E14 PolarHBondContact O-N 3.13Å |
| 11 | Y | 94 | Very high | 91.2 | Very high | 150 Ų | 150 | 119.9 Ų | 119.9 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.6 | -41.2 | 175.9 | -178.6 | -106.6 | 0 | 0 | 0 | 112.8 | E7 E14 N15 | E7-Y11 WeakPolarHBondContact O-CB 3.42Å; E7-Y11 PolarHBondContact O-N 3.38Å; Y11-E14 PolarHBondContact O-N 3.18Å; Y11-N15 WeakPolarHBondContact CD1-ND2 3.47Å; Y11-N15 WeakPolarHBondContact CE1-ND2 3.41Å; Y11-N15 WeakPolarHBondContact O-CB 3.39Å; Y11-N15 PolarHBondContact O-N 3.36Å; Y11-N15 PolarHBondContact O-ND2 2.95Å; Y11-N15 PolarHBondContact OH-ND2 3.4Å |
| 12 | K | 95.2 | Very high | 92.5 | Very high | 145 Ų | 145 | 112.7 Ų | 112.7 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 175.7 | -172.8 | 176.8 | 179.5 | -178.6 | 0 | 111.8 | R8 K9 A10 N15 I16 | R8-K12 WeakPolarHBondContact O-CB 3.42Å; R8-K12 PolarHBondContact O-N 2.94Å; K9-K12 PolarHBondContact O-N 2.9Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 3.13Å; K12-N15 PolarHBondContact O-N 3.39Å; K12-I16 HydrophobicContact CG-CD1 4.08Å; K12-I16 VanDerWaalsContact O-CG1 3.29Å; K12-I16 WeakPolarHBondContact O-CG1 3.34Å; K12-I16 PolarHBondContact O-N 3.45Å |
| 13 | R | 94.9 | Very high | 93.3 | Very high | 159 Ų | 159 | 108.9 Ų | 108.9 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -45.9 | 176.8 | -76.5 | -175.4 | -74.6 | -164.3 | -1.4 | 111.7 | K9 A10 N15 I16 Q17 | K9-R13 WeakPolarHBondContact O-CG 3.32Å; K9-R13 PolarHBondContact O-N 2.92Å; A10-R13 PolarHBondContact O-N 3.47Å; A10-R13 VanDerWaalsContact O-N 3.14Å; R13-N15 VanDerWaalsContact C-N 3.33Å; R13-N15 PolarHBondContact O-N 3Å; R13-I16 PolarHBondContact O-N 3.45Å; R13-Q17 PolarHBondContact O-N 3.05Å |
| 14 | E | 95.2 | Very high | 93.9 | Very high | 88 Ų | 88 | 110.5 Ų | 110.5 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 177.8 | -169.9 | -169.9 | 166.9 | 0 | 0 | 111.6 | A10 Y11 Q17 K18 | A10-E14 PolarHBondContact O-N 3.13Å; Y11-E14 PolarHBondContact O-N 3.18Å; E14-Q17 PolarHBondContact O-N 3.4Å; E14-K18 HydrophobicContact CG-CD 4.47Å; E14-K18 WeakPolarHBondContact O-CB 3.42Å; E14-K18 WeakPolarHBondContact O-CG 3.41Å; E14-K18 PolarHBondContact O-N 3.48Å; E14-K18 WeakPolarHBondContact OE1-CE 3.42Å; E14-K18 IonicContact OE1-NZ 2.67Å; E14-K18 PolarHBondContact OE1-NZ 3.45Å |
| 15 | N | 95.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 108 Ų | 108 | 27% | 0.273 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 177.3 | -78.6 | -31.2 | 0 | 0 | 0 | 113.5 | Y11 K12 R13 K19 | Y11-N15 WeakPolarHBondContact CD1-ND2 3.47Å; Y11-N15 WeakPolarHBondContact CE1-ND2 3.41Å; Y11-N15 WeakPolarHBondContact O-CB 3.39Å; Y11-N15 PolarHBondContact O-N 3.36Å; Y11-N15 PolarHBondContact O-ND2 2.95Å; Y11-N15 PolarHBondContact OH-ND2 3.4Å; K12-N15 PolarHBondContact O-N 3.39Å; R13-N15 VanDerWaalsContact C-N 3.33Å; R13-N15 PolarHBondContact O-N 3Å; N15-K19 WeakPolarHBondContact O-CG 3.31Å; N15-K19 PolarHBondContact O-N 2.99Å; N15-K19 VanDerWaalsContact O-N 3.11Å |
| 16 | I | 94.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 112.5 Ų | 112.5 | 40% | 0.4 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 174.4 | -69.5 | 165.1 | 0 | 0 | 0 | 109.4 | K12 R13 K18 K19 E20 | K12-I16 HydrophobicContact CG-CD1 4.08Å; K12-I16 VanDerWaalsContact O-CG1 3.29Å; K12-I16 WeakPolarHBondContact O-CG1 3.34Å; K12-I16 PolarHBondContact O-N 3.45Å; R13-I16 PolarHBondContact O-N 3.45Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.12Å; I16-K19 WeakPolarHBondContact O-CB 3.43Å; I16-K19 PolarHBondContact O-N 3.45Å; I16-K19 VanDerWaalsContact O-N 3.09Å; I16-E20 HydrophobicContact CG2-CG 4.41Å; I16-E20 WeakPolarHBondContact O-CG 3.45Å; I16-E20 PolarHBondContact O-N 3.18Å |
| 17 | Q | 95.7 | Very high | 94.6 | Very high | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 178.5 | -171.5 | -179.6 | 11.6 | 0 | 0 | 112.1 | R13 E14 K19 E20 I21 | R13-Q17 PolarHBondContact O-N 3.05Å; E14-Q17 PolarHBondContact O-N 3.4Å; Q17-K19 VanDerWaalsContact C-N 3.31Å; Q17-K19 PolarHBondContact O-N 2.91Å; Q17-E20 PolarHBondContact O-N 3.27Å; Q17-I21 HydrophobicContact CG-CD1 4.02Å; Q17-I21 VanDerWaalsContact O-CG1 3.26Å; Q17-I21 WeakPolarHBondContact O-CG1 3.29Å; Q17-I21 PolarHBondContact O-N 3.04Å |
| 18 | K | 95.2 | Very high | 94.7 | Very high | 114 Ų | 114 | 109.6 Ų | 109.6 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 174.9 | -76.8 | 177.1 | -177.7 | 169.3 | 0 | 112.1 | E14 I16 A22 | E14-K18 HydrophobicContact CG-CD 4.47Å; E14-K18 WeakPolarHBondContact O-CB 3.42Å; E14-K18 WeakPolarHBondContact O-CG 3.41Å; E14-K18 PolarHBondContact O-N 3.48Å; E14-K18 WeakPolarHBondContact OE1-CE 3.42Å; E14-K18 IonicContact OE1-NZ 2.67Å; E14-K18 PolarHBondContact OE1-NZ 3.45Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 3.12Å; K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 3.43Å |
| 19 | K | 94.7 | Very high | 94.9 | Very high | 145 Ų | 145 | 105.1 Ų | 105.1 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -46.2 | 176 | -74.2 | 179 | 178.1 | -172.5 | 0 | 111.7 | N15 I16 Q17 I21 A22 D23 | N15-K19 WeakPolarHBondContact O-CG 3.31Å; N15-K19 PolarHBondContact O-N 2.99Å; N15-K19 VanDerWaalsContact O-N 3.11Å; I16-K19 WeakPolarHBondContact O-CB 3.43Å; I16-K19 PolarHBondContact O-N 3.45Å; I16-K19 VanDerWaalsContact O-N 3.09Å; Q17-K19 VanDerWaalsContact C-N 3.31Å; Q17-K19 PolarHBondContact O-N 2.91Å; K19-I21 VanDerWaalsContact C-N 3.33Å; K19-I21 PolarHBondContact O-N 2.98Å; K19-A22 PolarHBondContact O-N 3.26Å; K19-D23 WeakPolarHBondContact O-CB 3.43Å; K19-D23 PolarHBondContact O-N 2.96Å |
| 20 | E | 94.9 | Very high | 95 | Very high | 121 Ų | 121 | 106.1 Ų | 106.1 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.6 | -42.1 | 177.2 | -71.4 | 173.9 | 176 | 0 | 0 | 112.3 | I16 Q17 D23 K24 | I16-E20 HydrophobicContact CG2-CG 4.41Å; I16-E20 WeakPolarHBondContact O-CG 3.45Å; I16-E20 PolarHBondContact O-N 3.18Å; Q17-E20 PolarHBondContact O-N 3.27Å; E20-D23 PolarHBondContact O-N 3.44Å; E20-K24 WeakPolarHBondContact O-CB 3.04Å; E20-K24 PolarHBondContact O-N 3.41Å |
| 21 | I | 94.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 107.4 Ų | 107.4 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.2 | -67.7 | 166.1 | 0 | 0 | 0 | 110.8 | Q17 K19 K24 N25 | Q17-I21 HydrophobicContact CG-CD1 4.02Å; Q17-I21 VanDerWaalsContact O-CG1 3.26Å; Q17-I21 WeakPolarHBondContact O-CG1 3.29Å; Q17-I21 PolarHBondContact O-N 3.04Å; K19-I21 VanDerWaalsContact C-N 3.33Å; K19-I21 PolarHBondContact O-N 2.98Å; I21-K24 PolarHBondContact O-N 3.25Å; I21-N25 WeakPolarHBondContact O-CB 3.37Å; I21-N25 VanDerWaalsContact O-CG 3.23Å; I21-N25 PolarHBondContact O-N 3.08Å; I21-N25 PolarHBondContact O-ND2 2.98Å |
| 22 | A | 94.5 | Very high | 95.3 | Very high | 56 Ų | 56 | 102.4 Ų | 102.4 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | K18 K19 N25 R26 | K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 3.43Å; K19-A22 PolarHBondContact O-N 3.26Å; A22-N25 PolarHBondContact O-N 2.93Å; A22-R26 WeakPolarHBondContact O-CB 3.39Å; A22-R26 PolarHBondContact O-N 3.07Å |
| 23 | D | 94.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 99.2 Ų | 99.2 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 177.4 | -74.9 | -26.5 | 0 | 0 | 0 | 111.6 | K19 E20 R26 S27 | K19-D23 WeakPolarHBondContact O-CB 3.43Å; K19-D23 PolarHBondContact O-N 2.96Å; E20-D23 PolarHBondContact O-N 3.44Å; D23-R26 PolarHBondContact O-N 3.16Å; D23-S27 PolarHBondContact O-N 3.31Å |
| 24 | K | 95.3 | Very high | 95.5 | Very high | 137 Ų | 137 | 99.1 Ų | 99.1 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.2 | -50 | 174.2 | -172.9 | 176.9 | 179.2 | -179.4 | 0 | 111.6 | E20 I21 R26 S27 D28 | E20-K24 WeakPolarHBondContact O-CB 3.04Å; E20-K24 PolarHBondContact O-N 3.41Å; I21-K24 PolarHBondContact O-N 3.25Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 3.14Å; K24-S27 WeakPolarHBondContact O-CB 3.4Å; K24-S27 PolarHBondContact O-N 3.02Å; K24-D28 PolarHBondContact O-N 2.92Å |
| 25 | N | 95.2 | Very high | 95.6 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 177.5 | -73.1 | -15.3 | 0 | 0 | 0 | 112 | I21 A22 Q29 | I21-N25 WeakPolarHBondContact O-CB 3.37Å; I21-N25 VanDerWaalsContact O-CG 3.23Å; I21-N25 PolarHBondContact O-N 3.08Å; I21-N25 PolarHBondContact O-ND2 2.98Å; A22-N25 PolarHBondContact O-N 2.93Å; N25-Q29 VanDerWaalsContact O-CB 3.31Å; N25-Q29 WeakPolarHBondContact O-CB 3.44Å; N25-Q29 PolarHBondContact O-N 3.29Å |
| 26 | R | 94.6 | Very high | 95.7 | Very high | 162 Ų | 162 | 102.4 Ų | 102.4 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 175.6 | -173.4 | -179.3 | -176.1 | -162.2 | 2.9 | 111.8 | A22 D23 K24 K30 | A22-R26 WeakPolarHBondContact O-CB 3.39Å; A22-R26 PolarHBondContact O-N 3.07Å; D23-R26 PolarHBondContact O-N 3.16Å; K24-R26 VanDerWaalsContact C-N 3.27Å; K24-R26 PolarHBondContact O-N 3.14Å; R26-K30 WeakPolarHBondContact O-CG 3.33Å; R26-K30 PolarHBondContact O-N 3.49Å; R26-K30 VanDerWaalsContact O-N 3.07Å |
| 27 | S | 94.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 101.4 Ų | 101.4 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 176.2 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | D23 K24 Q29 K30 V31 | D23-S27 PolarHBondContact O-N 3.31Å; K24-S27 WeakPolarHBondContact O-CB 3.4Å; K24-S27 PolarHBondContact O-N 3.02Å; S27-Q29 VanDerWaalsContact C-N 3.29Å; S27-Q29 PolarHBondContact O-N 3Å; S27-K30 WeakPolarHBondContact O-CB 3.34Å; S27-K30 PolarHBondContact O-N 2.89Å; S27-V31 WeakPolarHBondContact O-CG2 3.2Å; S27-V31 PolarHBondContact O-N 3.45Å |
| 28 | D | 95.4 | Very high | 96 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 179.9 | -68.9 | -12.7 | 0 | 0 | 0 | 110.9 | K24 K30 V31 S32 | K24-D28 PolarHBondContact O-N 2.92Å; D28-K30 PolarHBondContact O-N 3.01Å; D28-V31 PolarHBondContact O-N 2.87Å; D28-S32 VanDerWaalsContact O-CB 3.25Å; D28-S32 WeakPolarHBondContact O-CB 3.41Å; D28-S32 PolarHBondContact O-N 3.45Å |
| 29 | Q | 96.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 174.5 | -172.6 | 63.4 | 29 | 0 | 0 | 112.5 | N25 S27 S32 N33 | N25-Q29 VanDerWaalsContact O-CB 3.31Å; N25-Q29 WeakPolarHBondContact O-CB 3.44Å; N25-Q29 PolarHBondContact O-N 3.29Å; S27-Q29 VanDerWaalsContact C-N 3.29Å; S27-Q29 PolarHBondContact O-N 3Å; Q29-S32 PolarHBondContact O-N 3.18Å; Q29-N33 PolarHBondContact NE2-OD1 2.92Å; Q29-N33 WeakPolarHBondContact O-CB 3.44Å; Q29-N33 VanDerWaalsContact O-CG 3.25Å; Q29-N33 PolarHBondContact O-N 3.41Å |
| 30 | K | 96.3 | Very high | 96.2 | Very high | 124 Ų | 124 | 96.7 Ų | 96.7 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.2 | -77.9 | 177.9 | 178.2 | -174.6 | 0 | 111.5 | R26 S27 D28 N33 W34 | R26-K30 WeakPolarHBondContact O-CG 3.33Å; R26-K30 PolarHBondContact O-N 3.49Å; R26-K30 VanDerWaalsContact O-N 3.07Å; S27-K30 WeakPolarHBondContact O-CB 3.34Å; S27-K30 PolarHBondContact O-N 2.89Å; D28-K30 PolarHBondContact O-N 3.01Å; K30-N33 PolarHBondContact O-N 3.26Å; K30-W34 WeakPolarHBondContact O-CB 3.32Å; K30-W34 PolarHBondContact O-N 3.44Å |
| 31 | V | 96.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 95.2 Ų | 95.2 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | S27 D28 N33 W34 L35 | S27-V31 WeakPolarHBondContact O-CG2 3.2Å; S27-V31 PolarHBondContact O-N 3.45Å; D28-V31 PolarHBondContact O-N 2.87Å; V31-N33 PolarHBondContact O-N 3.5Å; V31-W34 PolarHBondContact O-N 2.95Å; V31-L35 HydrophobicContact CG1-CD1 4.11Å; V31-L35 HydrophobicContact CG1-CG 4.44Å; V31-L35 WeakPolarHBondContact O-CG 3.38Å; V31-L35 PolarHBondContact O-N 3.49Å |
| 32 | S | 96.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 98.9 Ų | 98.9 | 31% | 0.308 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 177.2 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | D28 Q29 L35 R36 | D28-S32 VanDerWaalsContact O-CB 3.25Å; D28-S32 WeakPolarHBondContact O-CB 3.41Å; D28-S32 PolarHBondContact O-N 3.45Å; Q29-S32 PolarHBondContact O-N 3.18Å; S32-L35 PolarHBondContact O-N 3.07Å; S32-R36 PolarHBondContact O-N 3.36Å; S32-R36 PolarHBondContact OG-NH1 2.95Å; S32-R36 PolarHBondContact OG-NH2 2.88Å |
| 33 | N | 97.4 | Very high | 96.7 | Very high | 79 Ų | 79 | 102.5 Ų | 102.5 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.6 | -78.1 | -14.5 | 0 | 0 | 0 | 112 | Q29 K30 V31 R36 A37 | Q29-N33 PolarHBondContact NE2-OD1 2.92Å; Q29-N33 WeakPolarHBondContact O-CB 3.44Å; Q29-N33 VanDerWaalsContact O-CG 3.25Å; Q29-N33 PolarHBondContact O-N 3.41Å; K30-N33 PolarHBondContact O-N 3.26Å; V31-N33 PolarHBondContact O-N 3.5Å; N33-R36 PolarHBondContact O-N 3.44Å; N33-R36 PolarHBondContact OD1-NH2 3.33Å; N33-A37 WeakPolarHBondContact O-CB 3.41Å; N33-A37 PolarHBondContact O-N 3.07Å |
| 34 | W | 97.6 | Very high | 96.8 | Very high | 156 Ų | 156 | 99.1 Ų | 99.1 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 178.6 | 177.9 | 81 | 0 | 0 | 0 | 112 | K30 V31 A37 K38 | K30-W34 WeakPolarHBondContact O-CB 3.32Å; K30-W34 PolarHBondContact O-N 3.44Å; V31-W34 PolarHBondContact O-N 2.95Å; W34-A37 PolarHBondContact O-N 2.8Å; W34-K38 HydrophobicContact CD2-CG 4.22Å; W34-K38 HydrophobicContact CH2-CG 4.43Å; W34-K38 HydrophobicContact CZ2-CD 4.5Å; W34-K38 HydrophobicContact CZ2-CG 3.94Å; W34-K38 WeakPolarHBondContact O-CB 3.45Å; W34-K38 WeakPolarHBondContact O-CG 3.3Å; W34-K38 PolarHBondContact O-N 3.5Å |
| 35 | L | 97.7 | Very high | 96.9 | Very high | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 174.9 | -72.4 | 172.9 | 0 | 0 | 0 | 111.6 | V31 S32 A37 K38 V39 | V31-L35 HydrophobicContact CG1-CD1 4.11Å; V31-L35 HydrophobicContact CG1-CG 4.44Å; V31-L35 WeakPolarHBondContact O-CG 3.38Å; V31-L35 PolarHBondContact O-N 3.49Å; S32-L35 PolarHBondContact O-N 3.07Å; L35-A37 PolarHBondContact O-N 3.42Å; L35-K38 PolarHBondContact O-N 2.87Å; L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.03Å |
| 36 | R | 97.4 | Very high | 97 | Very high | 119 Ų | 119 | 99.4 Ų | 99.4 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 174.5 | -79.4 | -170.6 | -76.2 | -84.8 | -1.7 | 111.7 | S32 N33 K38 V39 L40 | S32-R36 PolarHBondContact O-N 3.36Å; S32-R36 PolarHBondContact OG-NH1 2.95Å; S32-R36 PolarHBondContact OG-NH2 2.88Å; N33-R36 PolarHBondContact O-N 3.44Å; N33-R36 PolarHBondContact OD1-NH2 3.33Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.36Å; R36-V39 PolarHBondContact O-N 3.18Å; R36-L40 WeakPolarHBondContact O-CG 3.37Å; R36-L40 PolarHBondContact O-N 3.45Å |
| 37 | A | 97.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 95.7 Ų | 95.7 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N33 W34 L35 L40 Q41 | N33-A37 WeakPolarHBondContact O-CB 3.41Å; N33-A37 PolarHBondContact O-N 3.07Å; W34-A37 PolarHBondContact O-N 2.8Å; L35-A37 PolarHBondContact O-N 3.42Å; A37-L40 PolarHBondContact O-N 3.21Å; A37-Q41 WeakPolarHBondContact O-CB 3.4Å; A37-Q41 PolarHBondContact O-N 2.89Å |
| 38 | K | 98.3 | Very high | 97.3 | Very high | 76 Ų | 76 | 98 Ų | 98 | 33% | 0.33 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.4 | -79.1 | -65.8 | 178.5 | -165.6 | 0 | 113.5 | W34 L35 R36 Q41 R42 | W34-K38 HydrophobicContact CD2-CG 4.22Å; W34-K38 HydrophobicContact CH2-CG 4.43Å; W34-K38 HydrophobicContact CZ2-CD 4.5Å; W34-K38 HydrophobicContact CZ2-CG 3.94Å; W34-K38 WeakPolarHBondContact O-CB 3.45Å; W34-K38 WeakPolarHBondContact O-CG 3.3Å; W34-K38 PolarHBondContact O-N 3.5Å; L35-K38 PolarHBondContact O-N 2.87Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 3.36Å; K38-Q41 PolarHBondContact O-N 3.26Å; K38-R42 WeakPolarHBondContact O-CG 3.38Å; K38-R42 PolarHBondContact O-N 2.89Å; K38-R42 VanDerWaalsContact O-N 3.07Å |
| 39 | V | 97.9 | Very high | 97.4 | Very high | 80 Ų | 80 | 100.2 Ų | 100.2 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | L35 R36 R42 K43 | L35-V39 WeakPolarHBondContact O-CG2 3.48Å; L35-V39 PolarHBondContact O-N 3.03Å; R36-V39 PolarHBondContact O-N 3.18Å; V39-R42 PolarHBondContact O-N 2.97Å; V39-K43 HydrophobicContact CG1-CD 4.46Å; V39-K43 WeakPolarHBondContact O-CG 3.49Å; V39-K43 PolarHBondContact O-N 3.35Å; V39-K43 VanDerWaalsContact O-N 3.07Å |
| 40 | L | 97.1 | Very high | 97.5 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 63% | 0.628 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 177.6 | -70.2 | 171.3 | 0 | 0 | 0 | 112.1 | R36 A37 K43 G44 | R36-L40 WeakPolarHBondContact O-CG 3.37Å; R36-L40 PolarHBondContact O-N 3.45Å; A37-L40 PolarHBondContact O-N 3.21Å; L40-K43 PolarHBondContact O-N 3.03Å; L40-G44 PolarHBondContact O-N 3.31Å |
| 41 | Q | 97.9 | Very high | 97.5 | Very high | 89 Ų | 89 | 100.2 Ų | 100.2 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57 | -51 | 175 | -178.8 | -178.4 | 0.8 | 0 | 0 | 111.1 | A37 K38 K43 G44 E45 | A37-Q41 WeakPolarHBondContact O-CB 3.4Å; A37-Q41 PolarHBondContact O-N 2.89Å; K38-Q41 PolarHBondContact O-N 3.26Å; Q41-K43 VanDerWaalsContact C-N 3.35Å; Q41-K43 PolarHBondContact O-N 3.47Å; Q41-G44 PolarHBondContact O-N 2.92Å; Q41-E45 VanDerWaalsContact CG-OE1 3.3Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.25Å; Q41-E45 PolarHBondContact NE2-OE1 3.33Å; Q41-E45 WeakPolarHBondContact O-CG 3.37Å; Q41-E45 PolarHBondContact O-N 2.9Å |
| 42 | R | 97.6 | Very high | 97.5 | Very high | 163 Ų | 163 | 101.7 Ų | 101.7 | 62% | 0.615 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 179.3 | -72.4 | -179.1 | -169.6 | -173 | 2.4 | 112.5 | K38 V39 G44 E45 E46 | K38-R42 WeakPolarHBondContact O-CG 3.38Å; K38-R42 PolarHBondContact O-N 2.89Å; K38-R42 VanDerWaalsContact O-N 3.07Å; V39-R42 PolarHBondContact O-N 2.97Å; R42-G44 VanDerWaalsContact C-N 3.31Å; R42-G44 PolarHBondContact O-N 3.44Å; R42-E45 PolarHBondContact O-N 2.8Å; R42-E46 WeakPolarHBondContact O-CB 3.33Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.46Å |
| 43 | K | 97.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 103.7 Ų | 103.7 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 175.9 | -76.8 | -176.5 | 172 | -170.1 | 0 | 111.8 | V39 L40 Q41 E46 E47 | V39-K43 HydrophobicContact CG1-CD 4.46Å; V39-K43 WeakPolarHBondContact O-CG 3.49Å; V39-K43 PolarHBondContact O-N 3.35Å; V39-K43 VanDerWaalsContact O-N 3.07Å; L40-K43 PolarHBondContact O-N 3.03Å; Q41-K43 VanDerWaalsContact C-N 3.35Å; Q41-K43 PolarHBondContact O-N 3.47Å; K43-E46 PolarHBondContact O-N 3.47Å; K43-E47 WeakPolarHBondContact O-CB 3.48Å; K43-E47 PolarHBondContact O-N 2.88Å |
| 44 | G | 97.5 | Very high | 97.5 | Very high | 33 Ų | 33 | 103.4 Ų | 103.4 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L40 Q41 R42 E47 M48 | L40-G44 PolarHBondContact O-N 3.31Å; Q41-G44 PolarHBondContact O-N 2.92Å; R42-G44 VanDerWaalsContact C-N 3.31Å; R42-G44 PolarHBondContact O-N 3.44Å; G44-E47 PolarHBondContact O-N 3.4Å; G44-M48 WeakPolarHBondContact O-CG 3.34Å; G44-M48 PolarHBondContact O-N 2.69Å |
| 45 | E | 97.6 | Very high | 97.5 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.8 | -71.7 | 168.5 | -176.1 | 0 | 0 | 112.2 | Q41 R42 M48 K49 | Q41-E45 VanDerWaalsContact CG-OE1 3.3Å; Q41-E45 WeakPolarHBondContact CG-OE1 3.25Å; Q41-E45 PolarHBondContact NE2-OE1 3.33Å; Q41-E45 WeakPolarHBondContact O-CG 3.37Å; Q41-E45 PolarHBondContact O-N 2.9Å; R42-E45 PolarHBondContact O-N 2.8Å; E45-M48 PolarHBondContact O-N 3.22Å; E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 PolarHBondContact O-N 3.39Å |
| 46 | E | 97.6 | Very high | 97.3 | Very high | 134 Ų | 134 | 102.5 Ų | 102.5 | 63% | 0.626 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -40.3 | 176.7 | -74.8 | 171.3 | -174.7 | 0 | 0 | 112.2 | R42 K43 K49 R50 | R42-E46 WeakPolarHBondContact O-CB 3.33Å; R42-E46 WeakPolarHBondContact O-CG 3.46Å; R42-E46 PolarHBondContact O-N 3.46Å; K43-E46 PolarHBondContact O-N 3.47Å; E46-K49 PolarHBondContact O-N 2.87Å; E46-R50 PolarHBondContact O-N 2.85Å |
| 47 | E | 97.9 | Very high | 97.2 | Very high | 84 Ų | 84 | 103 Ų | 103 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -44.1 | 176.7 | 173.7 | 155.9 | -130.2 | 0 | 0 | 112.3 | K43 G44 K49 R50 Y51 | K43-E47 WeakPolarHBondContact O-CB 3.48Å; K43-E47 PolarHBondContact O-N 2.88Å; G44-E47 PolarHBondContact O-N 3.4Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.49Å; E47-R50 WeakPolarHBondContact O-CB 3.36Å; E47-R50 PolarHBondContact O-N 2.94Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-R50 IonicContact OE1-CZ 3.48Å; E47-R50 IonicContact OE1-NH2 2.83Å; E47-R50 PolarHBondContact OE1-NH2 3.07Å; E47-Y51 HydrophobicContact CG-CD2 3.86Å; E47-Y51 HydrophobicContact CG-CE2 3.32Å; E47-Y51 WeakPolarHBondContact O-CD2 3.39Å; E47-Y51 PolarHBondContact O-N 2.95Å; E47-Y51 PolarHBondContact OE1-OH 3.4Å |
| 48 | M | 97.4 | Very high | 97 | Very high | 111 Ų | 111 | 108.5 Ų | 108.5 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 173.9 | -73.9 | -60.4 | -59.8 | 0 | 0 | 111.5 | G44 E45 R50 Y51 E52 | G44-M48 WeakPolarHBondContact O-CG 3.34Å; G44-M48 PolarHBondContact O-N 2.69Å; E45-M48 PolarHBondContact O-N 3.22Å; M48-R50 VanDerWaalsContact C-N 3.26Å; M48-R50 PolarHBondContact O-N 3.03Å; M48-Y51 PolarHBondContact O-N 3.33Å; M48-Y51 VanDerWaalsContact O-N 3.16Å; M48-E52 WeakPolarHBondContact O-CG 3.4Å; M48-E52 PolarHBondContact O-N 2.94Å |
| 49 | K | 97.6 | Very high | 96.9 | Very high | 132 Ų | 132 | 108.2 Ų | 108.2 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.1 | -34.9 | 176.7 | -174 | 175.2 | -177.4 | 178.3 | 0 | 112.4 | E45 E46 E47 N53 | E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 PolarHBondContact O-N 3.39Å; E46-K49 PolarHBondContact O-N 2.87Å; E47-K49 VanDerWaalsContact C-N 3.33Å; E47-K49 PolarHBondContact O-N 3.49Å; K49-N53 WeakPolarHBondContact O-CB 3.26Å; K49-N53 PolarHBondContact O-N 3.06Å; K49-N53 VanDerWaalsContact O-N 3.08Å; K49-N53 PolarHBondContact O-ND2 3.34Å; K49-N53 VanDerWaalsContact O-ND2 3.12Å |
| 50 | R | 97.5 | Very high | 96.7 | Very high | 112 Ų | 112 | 109 Ų | 109 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -49.5 | 174.2 | -175 | -176.1 | 68 | -132.7 | -3.8 | 110.7 | E46 E47 M48 N53 E54 | E46-R50 PolarHBondContact O-N 2.85Å; E47-R50 WeakPolarHBondContact O-CB 3.36Å; E47-R50 PolarHBondContact O-N 2.94Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-R50 IonicContact OE1-CZ 3.48Å; E47-R50 IonicContact OE1-NH2 2.83Å; E47-R50 PolarHBondContact OE1-NH2 3.07Å; M48-R50 VanDerWaalsContact C-N 3.26Å; M48-R50 PolarHBondContact O-N 3.03Å; R50-N53 PolarHBondContact O-N 2.95Å; R50-E54 WeakPolarHBondContact CG-OE1 3.39Å; R50-E54 IonicContact NE-OE1 2.87Å; R50-E54 WeakPolarHBondContact O-CG 3.4Å; R50-E54 PolarHBondContact O-N 2.95Å |
| 51 | Y | 97.1 | Very high | 96.5 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 45% | 0.447 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 178.8 | -69.5 | -55.6 | 0 | 0 | 0 | 112.7 | E47 M48 N53 E54 E55 | E47-Y51 HydrophobicContact CG-CD2 3.86Å; E47-Y51 HydrophobicContact CG-CE2 3.32Å; E47-Y51 WeakPolarHBondContact O-CD2 3.39Å; E47-Y51 PolarHBondContact O-N 2.95Å; E47-Y51 PolarHBondContact OE1-OH 3.4Å; M48-Y51 PolarHBondContact O-N 3.33Å; M48-Y51 VanDerWaalsContact O-N 3.16Å; Y51-N53 VanDerWaalsContact C-N 3.31Å; Y51-N53 PolarHBondContact O-N 3.29Å; Y51-E54 PolarHBondContact O-N 3.46Å; Y51-E55 WeakPolarHBondContact O-CB 3.48Å; Y51-E55 PolarHBondContact O-N 2.91Å |
| 52 | E | 97.2 | Very high | 96.2 | Very high | 105 Ų | 105 | 107.1 Ų | 107.1 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.1 | -72.2 | 171.7 | 178.4 | 0 | 0 | 111.5 | M48 E55 Q56 | M48-E52 WeakPolarHBondContact O-CG 3.4Å; M48-E52 PolarHBondContact O-N 2.94Å; E52-E55 PolarHBondContact O-N 3.45Å; E52-Q56 VanDerWaalsContact O-CG 3.29Å; E52-Q56 WeakPolarHBondContact O-CG 3.47Å; E52-Q56 PolarHBondContact O-N 3.42Å |
| 53 | N | 96.9 | Very high | 96 | Very high | 85 Ų | 85 | 103.8 Ų | 103.8 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 177.1 | -72.9 | -26.5 | 0 | 0 | 0 | 112.3 | K49 R50 Y51 Q56 Q57 | K49-N53 WeakPolarHBondContact O-CB 3.26Å; K49-N53 PolarHBondContact O-N 3.06Å; K49-N53 VanDerWaalsContact O-N 3.08Å; K49-N53 PolarHBondContact O-ND2 3.34Å; K49-N53 VanDerWaalsContact O-ND2 3.12Å; R50-N53 PolarHBondContact O-N 2.95Å; Y51-N53 VanDerWaalsContact C-N 3.31Å; Y51-N53 PolarHBondContact O-N 3.29Å; N53-Q56 PolarHBondContact O-N 2.95Å; N53-Q57 VanDerWaalsContact O-CG 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.36Å; N53-Q57 PolarHBondContact O-N 3.17Å |
| 54 | E | 96.5 | Very high | 95.8 | Very high | 74 Ų | 74 | 101 Ų | 101 | 35% | 0.346 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.9 | -73.7 | 171.7 | -166.7 | 0 | 0 | 110.7 | R50 Y51 Q56 Q57 Y58 | R50-E54 WeakPolarHBondContact CG-OE1 3.39Å; R50-E54 IonicContact NE-OE1 2.87Å; R50-E54 WeakPolarHBondContact O-CG 3.4Å; R50-E54 PolarHBondContact O-N 2.95Å; Y51-E54 PolarHBondContact O-N 3.46Å; E54-Q56 PolarHBondContact O-N 3.32Å; E54-Q57 WeakPolarHBondContact O-CB 3.45Å; E54-Q57 PolarHBondContact O-N 3.4Å; E54-Y58 HydrophobicContact CB-CE2 4.45Å; E54-Y58 WeakPolarHBondContact O-CD2 3.5Å; E54-Y58 PolarHBondContact O-N 2.92Å |
| 55 | E | 96.3 | Very high | 95.6 | Very high | 130 Ų | 130 | 107.5 Ų | 107.5 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.5 | -45.8 | 176.4 | -175.3 | 176.8 | -148.5 | 0 | 0 | 111.9 | Y51 E52 Q57 Y58 L59 | Y51-E55 WeakPolarHBondContact O-CB 3.48Å; Y51-E55 PolarHBondContact O-N 2.91Å; E52-E55 PolarHBondContact O-N 3.45Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 3.47Å; E55-Y58 PolarHBondContact O-N 2.86Å; E55-L59 WeakPolarHBondContact O-CB 3.4Å; E55-L59 PolarHBondContact O-N 2.92Å |
| 56 | Q | 95.5 | Very high | 95.4 | Very high | 97 Ų | 97 | 106.8 Ų | 106.8 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 176.3 | -70.9 | -59.2 | -41.9 | 0 | 0 | 112.4 | E52 N53 E54 L59 N60 | E52-Q56 VanDerWaalsContact O-CG 3.29Å; E52-Q56 WeakPolarHBondContact O-CG 3.47Å; E52-Q56 PolarHBondContact O-N 3.42Å; N53-Q56 PolarHBondContact O-N 2.95Å; E54-Q56 PolarHBondContact O-N 3.32Å; Q56-L59 PolarHBondContact O-N 3.02Å; Q56-N60 WeakPolarHBondContact O-CB 3.29Å; Q56-N60 PolarHBondContact O-N 3.23Å; Q56-N60 PolarHBondContact O-ND2 2.9Å |
| 57 | Q | 94.8 | Very high | 95.1 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 175.1 | -74.7 | 176.1 | 5.1 | 0 | 0 | 111.6 | N53 E54 E55 N60 V61 | N53-Q57 VanDerWaalsContact O-CG 3.31Å; N53-Q57 WeakPolarHBondContact O-CG 3.36Å; N53-Q57 PolarHBondContact O-N 3.17Å; E54-Q57 WeakPolarHBondContact O-CB 3.45Å; E54-Q57 PolarHBondContact O-N 3.4Å; E55-Q57 VanDerWaalsContact C-N 3.34Å; E55-Q57 PolarHBondContact O-N 3.47Å; Q57-N60 PolarHBondContact O-N 3.41Å; Q57-V61 WeakPolarHBondContact O-CG2 3.36Å; Q57-V61 PolarHBondContact O-N 3.38Å; Q57-V61 VanDerWaalsContact O-N 3.13Å |
| 58 | Y | 94.2 | Very high | 94.9 | Very high | 172 Ų | 172 | 102.2 Ų | 102.2 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 175.6 | -75.1 | -63.7 | 0 | 0 | 0 | 112 | E54 E55 N60 V61 V62 | E54-Y58 HydrophobicContact CB-CE2 4.45Å; E54-Y58 WeakPolarHBondContact O-CD2 3.5Å; E54-Y58 PolarHBondContact O-N 2.92Å; E55-Y58 PolarHBondContact O-N 2.86Å; Y58-N60 VanDerWaalsContact C-N 3.31Å; Y58-N60 PolarHBondContact O-N 2.95Å; Y58-V61 PolarHBondContact O-N 3.37Å; Y58-V62 WeakPolarHBondContact O-CG2 3.17Å; Y58-V62 PolarHBondContact O-N 3.06Å |
| 59 | L | 94.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 100.7 Ų | 100.7 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 179.2 | -172.4 | 64.7 | 0 | 0 | 0 | 111.8 | E55 Q56 V61 V62 H63 | E55-L59 WeakPolarHBondContact O-CB 3.4Å; E55-L59 PolarHBondContact O-N 2.92Å; Q56-L59 PolarHBondContact O-N 3.02Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 3.11Å; L59-V62 PolarHBondContact O-N 3.44Å; L59-H63 WeakPolarHBondContact CG-CE1 3.42Å; L59-H63 VanDerWaalsContact O-CG 3.32Å; L59-H63 PolarHBondContact O-N 3.02Å; L59-H63 PolarHBondContact O-ND1 3.48Å |
| 60 | N | 93.9 | Very high | 94.6 | Very high | 96 Ų | 96 | 100.3 Ų | 100.3 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.1 | -72 | -30 | 0 | 0 | 0 | 112.6 | Q56 Q57 Y58 S64 | Q56-N60 WeakPolarHBondContact O-CB 3.29Å; Q56-N60 PolarHBondContact O-N 3.23Å; Q56-N60 PolarHBondContact O-ND2 2.9Å; Q57-N60 PolarHBondContact O-N 3.41Å; Y58-N60 VanDerWaalsContact C-N 3.31Å; Y58-N60 PolarHBondContact O-N 2.95Å; N60-S64 WeakPolarHBondContact O-CB 3.44Å; N60-S64 PolarHBondContact O-N 2.67Å |
| 61 | V | 92.5 | Very high | 94.3 | Very high | 101 Ų | 101 | 98 Ų | 98 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | Q57 Y58 L59 S64 R65 | Q57-V61 WeakPolarHBondContact O-CG2 3.36Å; Q57-V61 PolarHBondContact O-N 3.38Å; Q57-V61 VanDerWaalsContact O-N 3.13Å; Y58-V61 PolarHBondContact O-N 3.37Å; L59-V61 VanDerWaalsContact C-N 3.34Å; L59-V61 PolarHBondContact O-N 3.11Å; V61-S64 PolarHBondContact O-N 3.09Å; V61-R65 WeakPolarHBondContact O-CB 3.38Å; V61-R65 PolarHBondContact O-N 2.99Å |
| 62 | V | 92.1 | Very high | 94 | Very high | 69 Ų | 69 | 101.2 Ų | 101.2 | 42% | 0.418 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -50.7 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Y58 L59 S64 R65 E66 | Y58-V62 WeakPolarHBondContact O-CG2 3.17Å; Y58-V62 PolarHBondContact O-N 3.06Å; L59-V62 PolarHBondContact O-N 3.44Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.8Å; V62-R65 WeakPolarHBondContact O-CB 3.01Å; V62-R65 PolarHBondContact O-N 3.31Å; V62-R65 VanDerWaalsContact O-N 3.13Å; V62-E66 HydrophobicContact CG1-CG 4.46Å; V62-E66 WeakPolarHBondContact O-CG 3.43Å; V62-E66 PolarHBondContact O-N 3.04Å |
| 63 | H | 92.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 104.7 Ų | 104.7 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 178.8 | -67.5 | 159.5 | 0 | 0 | 0 | 112.7 | L59 R65 E66 A67 | L59-H63 WeakPolarHBondContact CG-CE1 3.42Å; L59-H63 VanDerWaalsContact O-CG 3.32Å; L59-H63 PolarHBondContact O-N 3.02Å; L59-H63 PolarHBondContact O-ND1 3.48Å; H63-R65 VanDerWaalsContact C-N 3.32Å; H63-R65 PolarHBondContact O-N 3.21Å; H63-E66 IonicContact CD2-OE2 3.24Å; H63-E66 PolarHBondContact O-N 3.35Å; H63-A67 WeakPolarHBondContact O-CB 3.47Å; H63-A67 PolarHBondContact O-N 3.14Å |
| 64 | S | 93.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 111 Ų | 111 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -41 | 175.4 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | N60 V61 V62 A67 C68 | N60-S64 WeakPolarHBondContact O-CB 3.44Å; N60-S64 PolarHBondContact O-N 2.67Å; V61-S64 PolarHBondContact O-N 3.09Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 2.8Å; S64-A67 PolarHBondContact O-N 2.85Å; S64-C68 PolarHBondContact O-N 2.98Å; S64-C68 PolarHBondContact O-SG 3.03Å |
| 65 | R | 93 | Very high | 92.7 | Very high | 171 Ų | 171 | 112.9 Ų | 112.9 | 65% | 0.645 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.3 | -47.6 | 176.5 | 177 | -177.4 | 168.4 | -178.8 | -2.4 | 111 | V61 V62 H63 A67 C68 E69 | V61-R65 WeakPolarHBondContact O-CB 3.38Å; V61-R65 PolarHBondContact O-N 2.99Å; V62-R65 WeakPolarHBondContact O-CB 3.01Å; V62-R65 PolarHBondContact O-N 3.31Å; V62-R65 VanDerWaalsContact O-N 3.13Å; H63-R65 VanDerWaalsContact C-N 3.32Å; H63-R65 PolarHBondContact O-N 3.21Å; R65-A67 VanDerWaalsContact C-N 3.33Å; R65-A67 PolarHBondContact O-N 3.45Å; R65-C68 PolarHBondContact O-N 2.91Å; R65-E69 IonicContact CZ-OE1 3.92Å; R65-E69 IonicContact NE-OE1 3.94Å; R65-E69 PolarHBondContact NE-OE1 3.28Å; R65-E69 IonicContact NH2-OE1 3.85Å; R65-E69 PolarHBondContact NH2-OE1 2.96Å; R65-E69 WeakPolarHBondContact O-CG 3.33Å; R65-E69 PolarHBondContact O-N 3.45Å |
| 66 | E | 93.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 112 Ų | 112 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.6 | -41.9 | 177.8 | -71.2 | 176.1 | 170 | 0 | 0 | 111.9 | V62 H63 C68 E69 Q70 | V62-E66 HydrophobicContact CG1-CG 4.46Å; V62-E66 WeakPolarHBondContact O-CG 3.43Å; V62-E66 PolarHBondContact O-N 3.04Å; H63-E66 IonicContact CD2-OE2 3.24Å; H63-E66 PolarHBondContact O-N 3.35Å; E66-C68 PolarHBondContact O-N 3.29Å; E66-E69 PolarHBondContact O-N 3.36Å; E66-Q70 VanDerWaalsContact O-CG 3.32Å; E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.17Å |
| 67 | A | 92.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 112.8 Ų | 112.8 | 46% | 0.463 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.1 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | H63 S64 R65 Q70 A71 | H63-A67 WeakPolarHBondContact O-CB 3.47Å; H63-A67 PolarHBondContact O-N 3.14Å; S64-A67 PolarHBondContact O-N 2.85Å; R65-A67 VanDerWaalsContact C-N 3.33Å; R65-A67 PolarHBondContact O-N 3.45Å; A67-Q70 PolarHBondContact O-N 3.4Å; A67-A71 WeakPolarHBondContact O-CB 3.42Å; A67-A71 PolarHBondContact O-N 3.22Å |
| 68 | C | 93.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 111.9 Ų | 111.9 | 44% | 0.439 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -48.5 | 173.3 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | S64 R65 E66 Q70 A71 F72 | S64-C68 PolarHBondContact O-N 2.98Å; S64-C68 PolarHBondContact O-SG 3.03Å; R65-C68 PolarHBondContact O-N 2.91Å; E66-C68 PolarHBondContact O-N 3.29Å; C68-Q70 VanDerWaalsContact C-N 3.25Å; C68-Q70 PolarHBondContact O-N 3.47Å; C68-A71 PolarHBondContact O-N 3.37Å; C68-A71 VanDerWaalsContact O-N 3.13Å; C68-F72 HydrophobicContact CB-CE2 4.39Å; C68-F72 WeakPolarHBondContact O-CD2 3.39Å; C68-F72 PolarHBondContact O-N 3.12Å |
| 69 | E | 94 | Very high | 92.1 | Very high | 80 Ų | 80 | 108.1 Ų | 108.1 | 37% | 0.374 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -34.5 | 179.2 | -73 | 179.5 | -169.3 | 0 | 0 | 112.5 | R65 E66 K73 | R65-E69 IonicContact CZ-OE1 3.92Å; R65-E69 IonicContact NE-OE1 3.94Å; R65-E69 PolarHBondContact NE-OE1 3.28Å; R65-E69 IonicContact NH2-OE1 3.85Å; R65-E69 PolarHBondContact NH2-OE1 2.96Å; R65-E69 WeakPolarHBondContact O-CG 3.33Å; R65-E69 PolarHBondContact O-N 3.45Å; E66-E69 PolarHBondContact O-N 3.36Å; E69-K73 WeakPolarHBondContact O-CG 3.44Å |
| 70 | Q | 93.8 | Very high | 91.9 | Very high | 124 Ų | 124 | 110.6 Ų | 110.6 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.5 | -43.4 | 173.4 | -72.2 | 176.9 | 12.6 | 0 | 0 | 112.1 | E66 A67 C68 F72 K73 | E66-Q70 VanDerWaalsContact O-CG 3.32Å; E66-Q70 WeakPolarHBondContact O-CG 3.45Å; E66-Q70 PolarHBondContact O-N 3.17Å; A67-Q70 PolarHBondContact O-N 3.4Å; C68-Q70 VanDerWaalsContact C-N 3.25Å; C68-Q70 PolarHBondContact O-N 3.47Å; Q70-F72 VanDerWaalsContact C-N 3.28Å; Q70-F72 PolarHBondContact O-N 3.34Å; Q70-K73 PolarHBondContact O-N 3.29Å; Q70-K73 VanDerWaalsContact O-N 3.16Å |
| 71 | A | 92.9 | Very high | 91.8 | Very high | 62 Ų | 62 | 111.6 Ų | 111.6 | 51% | 0.512 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.7 | -33.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A67 C68 K73 | A67-A71 WeakPolarHBondContact O-CB 3.42Å; A67-A71 PolarHBondContact O-N 3.22Å; C68-A71 PolarHBondContact O-N 3.37Å; C68-A71 VanDerWaalsContact O-N 3.13Å; A71-K73 VanDerWaalsContact C-N 3.33Å |
| 72 | F | 90.1 | Very high | 91.7 | Very high | 182 Ų | 182 | 112.5 Ų | 112.5 | 80% | 0.798 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -20 | 175.8 | -78.9 | -65.9 | 0 | 0 | 0 | 114.5 | C68 Q70 | C68-F72 HydrophobicContact CB-CE2 4.39Å; C68-F72 WeakPolarHBondContact O-CD2 3.39Å; C68-F72 PolarHBondContact O-N 3.12Å; Q70-F72 VanDerWaalsContact C-N 3.28Å; Q70-F72 PolarHBondContact O-N 3.34Å |
| 73 | K | 92 | Very high | 91.7 | Very high | 178 Ų | 178 | 116.1 Ų | 116.1 | 77% | 0.774 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -11.1 | 179.2 | -71.8 | 174.6 | -173.4 | 174.5 | 0 | 113.2 | E69 Q70 A71 | E69-K73 WeakPolarHBondContact O-CG 3.44Å; Q70-K73 PolarHBondContact O-N 3.29Å; Q70-K73 VanDerWaalsContact O-N 3.16Å; A71-K73 VanDerWaalsContact C-N 3.33Å |
| 74 | Q | 79.2 | Confident | 91.6 | Very high | 219 Ų | 219 | 118.3 Ų | 118.3 | 100% | 1.023 | 60% | 0.595 | S | S | * | * | trans | -88.7 | 0 | 174.8 | -65.7 | 179.7 | 12.6 | 0 | 0 | 110.1 |
Retrieved 74 of 74 residues in 142.4 ms
(Link to these results)