| 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 | 37.2 | Very low | 54.4 | Low | 244 Ų | 244 | 139.8 Ų | 139.8 | 100% | 1.202 | 75% | 0.747 | S | S | * | * | 0 | 114.3 | 0 | -80 | -87.7 | 151.2 | 0 | 0 | 107.7 | S3 | M1-S3 PolarHBondContact O-N 3.15Š| |||
| 2 | S | 39.6 | Very low | 55.6 | Low | 130 Ų | 130 | 138.8 Ų | 138.8 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | trans | -86.1 | 99.9 | -169.9 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3 | S | 48.9 | Very low | 56.7 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | trans | -121.7 | 80.7 | 173.2 | 60.5 | 0 | 0 | 0 | 0 | 109.6 | M1 | M1-S3 PolarHBondContact O-N 3.15Š| ||
| 4 | G | 49.7 | Very low | 57.7 | Low | 57 Ų | 57 | 128.1 Ų | 128.1 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | trans | -153.6 | 98.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P6 | G4-P6 WeakPolarHBondContact O-CD 3.35Å; G4-P6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | M | 56 | Low | 58.5 | Low | 169 Ų | 169 | 124.7 Ų | 124.7 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | trans | -49.8 | 120.2 | 167.1 | -164.6 | 82.8 | -164.7 | 0 | 0 | 107.8 | R7 | M5-R7 PolarHBondContact O-N 3.38Š| ||
| 6 | P | 47.4 | Very low | 59.1 | Low | 72 Ų | 72 | 123.9 Ų | 123.9 | 47% | 0.468 | 66% | 0.655 | S | S | . | * | trans | -71.1 | 109.8 | -171.3 | 25.8 | -31.9 | 0 | 0 | 0 | 109.3 | G4 K8 F9 | G4-P6 WeakPolarHBondContact O-CD 3.35Å; G4-P6 VanDerWaalsContact O-N 3.15Å; P6-K8 PolarHBondContact O-N 3.04Å; P6-F9 HydrophobicContact CG-CD2 4.02Å; P6-F9 PolarHBondContact O-N 3.23Å | ||
| 7 | R | 61.2 | Low | 59.4 | Low | 229 Ų | 229 | 123.6 Ų | 123.6 | 86% | 0.864 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44 | -22.1 | 176.7 | -85.2 | -178.9 | -179.8 | 173.2 | 0.1 | 114.7 | M5 | M5-R7 PolarHBondContact O-N 3.38Š|
| 8 | K | 61.7 | Low | 59.7 | Low | 175 Ų | 175 | 126.7 Ų | 126.7 | 76% | 0.761 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -72.8 | -19.9 | -179.3 | -64.7 | -174.3 | 176.1 | -177.6 | 0 | 114.9 | P6 | P6-K8 PolarHBondContact O-N 3.04Å |
| 9 | F | 61.8 | Low | 59.8 | Low | 131 Ų | 131 | 126.7 Ų | 126.7 | 58% | 0.575 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.4 | -39 | 177.6 | -98.5 | -86.5 | 0 | 0 | 0 | 112.5 | P6 E11 K12 I13 | P6-F9 HydrophobicContact CG-CD2 4.02Å; P6-F9 PolarHBondContact O-N 3.23Å; F9-E11 VanDerWaalsContact C-N 3.33Å; F9-E11 PolarHBondContact O-N 3.1Å; F9-K12 PolarHBondContact O-N 3.23Å; F9-I13 WeakPolarHBondContact O-CG1 3.4Å; F9-I13 PolarHBondContact O-N 3.31Å; F9-I13 VanDerWaalsContact O-N 3.07Å |
| 10 | S | 67.1 | Low | 59.9 | Low | 79 Ų | 79 | 126.2 Ų | 126.2 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.2 | -39.6 | -179.5 | -37.4 | 0 | 0 | 0 | 0 | 112.1 | I13 A14 | S10-I13 PolarHBondContact O-N 3.02Å; S10-A14 PolarHBondContact O-N 3.42Å; S10-A14 VanDerWaalsContact O-N 3.12Å |
| 11 | E | 68.5 | Low | 60.1 | Low | 129 Ų | 129 | 126 Ų | 126 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.9 | -39.8 | 176.6 | -170.6 | 173.7 | -169.9 | 0 | 0 | 111.8 | F9 I13 A14 I15 | F9-E11 VanDerWaalsContact C-N 3.33Å; F9-E11 PolarHBondContact O-N 3.1Å; E11-I13 VanDerWaalsContact C-N 3.33Å; E11-I13 PolarHBondContact O-N 2.9Å; E11-A14 PolarHBondContact O-N 3.12Å; E11-I15 HydrophobicContact CG-CD1 4.11Å; E11-I15 VanDerWaalsContact O-CG1 3.31Å; E11-I15 WeakPolarHBondContact O-CG1 3.31Å; E11-I15 PolarHBondContact O-N 3.47Å |
| 12 | K | 68.7 | Low | 61.4 | Low | 128 Ų | 128 | 120.7 Ų | 120.7 | 56% | 0.557 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.3 | -37.5 | 177.1 | -164.7 | 174.4 | -177.8 | -177.6 | 0 | 112.2 | F9 Q16 | F9-K12 PolarHBondContact O-N 3.23Å; K12-Q16 WeakPolarHBondContact O-CG 3.49Å; K12-Q16 PolarHBondContact O-N 3.41Å; K12-Q16 VanDerWaalsContact O-N 3.15Å |
| 13 | I | 69.9 | Low | 62.5 | Low | 85 Ų | 85 | 119.8 Ų | 119.8 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.8 | -44.7 | 176.2 | -65.4 | 164.2 | 0 | 0 | 0 | 110.7 | F9 S10 E11 I15 Q16 Q17 | F9-I13 WeakPolarHBondContact O-CG1 3.4Å; F9-I13 PolarHBondContact O-N 3.31Å; F9-I13 VanDerWaalsContact O-N 3.07Å; S10-I13 PolarHBondContact O-N 3.02Å; E11-I13 VanDerWaalsContact C-N 3.33Å; E11-I13 PolarHBondContact O-N 2.9Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 2.9Å; I13-Q16 PolarHBondContact O-N 3.12Å; I13-Q17 WeakPolarHBondContact O-CG 3.37Å; I13-Q17 PolarHBondContact O-N 3.49Å |
| 14 | A | 69.8 | Low | 63.4 | Low | 42 Ų | 42 | 118.7 Ų | 118.7 | 35% | 0.347 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.3 | -37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S10 E11 R18 | S10-A14 PolarHBondContact O-N 3.42Å; S10-A14 VanDerWaalsContact O-N 3.12Å; E11-A14 PolarHBondContact O-N 3.12Å; A14-R18 WeakPolarHBondContact O-CG 3.36Å; A14-R18 PolarHBondContact O-N 3.45Å |
| 15 | I | 70.5 | Confident | 64.5 | Low | 78 Ų | 78 | 119 Ų | 119 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.2 | -40.8 | 176.7 | -66.6 | 166 | 0 | 0 | 0 | 111.2 | E11 I13 R18 K19 | E11-I15 HydrophobicContact CG-CD1 4.11Å; E11-I15 VanDerWaalsContact O-CG1 3.31Å; E11-I15 WeakPolarHBondContact O-CG1 3.31Å; E11-I15 PolarHBondContact O-N 3.47Å; I13-I15 VanDerWaalsContact C-N 3.31Å; I13-I15 PolarHBondContact O-N 2.9Å; I15-R18 PolarHBondContact O-N 2.87Å; I15-K19 HydrophobicContact CG2-CD 4.27Å; I15-K19 WeakPolarHBondContact O-CG 3.49Å; I15-K19 PolarHBondContact O-N 3.02Å; I15-K19 VanDerWaalsContact O-N 3.08Å |
| 16 | Q | 67.1 | Low | 65.3 | Low | 112 Ų | 112 | 113.2 Ų | 113.2 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -40 | 177.6 | -76.4 | 179 | -28 | 0 | 0 | 112 | K12 I13 K19 L20 | K12-Q16 WeakPolarHBondContact O-CG 3.49Å; K12-Q16 PolarHBondContact O-N 3.41Å; K12-Q16 VanDerWaalsContact O-N 3.15Å; I13-Q16 PolarHBondContact O-N 3.12Å; Q16-K19 PolarHBondContact O-N 3.26Å; Q16-L20 WeakPolarHBondContact O-CG 3.46Å; Q16-L20 PolarHBondContact O-N 3.05Å |
| 17 | Q | 64.7 | Low | 66.6 | Low | 119 Ų | 119 | 115 Ų | 115 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 176.7 | -72.1 | 178.2 | -13.2 | 0 | 0 | 112.7 | I13 N21 | I13-Q17 WeakPolarHBondContact O-CG 3.37Å; I13-Q17 PolarHBondContact O-N 3.49Å; Q17-N21 PolarHBondContact O-N 3.5Å; Q17-N21 PolarHBondContact O-ND2 2.96Å |
| 18 | R | 64.8 | Low | 67.4 | Low | 179 Ų | 179 | 108.1 Ų | 108.1 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 174.5 | -72 | 179 | -174.3 | 178.9 | 1.8 | 111.9 | A14 I15 L20 N21 E22 | A14-R18 WeakPolarHBondContact O-CG 3.36Å; A14-R18 PolarHBondContact O-N 3.45Å; I15-R18 PolarHBondContact O-N 2.87Å; R18-L20 PolarHBondContact O-N 3.48Å; R18-N21 PolarHBondContact O-N 3.32Å; R18-E22 PolarHBondContact O-N 2.92Å |
| 19 | K | 62.4 | Low | 68.3 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 178.5 | -71.7 | -177.1 | 176.5 | -168.8 | 0 | 113 | I15 Q16 N21 E22 D23 | I15-K19 HydrophobicContact CG2-CD 4.27Å; I15-K19 WeakPolarHBondContact O-CG 3.49Å; I15-K19 PolarHBondContact O-N 3.02Å; I15-K19 VanDerWaalsContact O-N 3.08Å; Q16-K19 PolarHBondContact O-N 3.26Å; K19-N21 VanDerWaalsContact C-N 3.29Å; K19-N21 PolarHBondContact O-N 3.43Å; K19-E22 PolarHBondContact O-N 3.46Å; K19-D23 PolarHBondContact O-N 2.93Å; K19-D23 VanDerWaalsContact O-N 3.07Å |
| 20 | L | 60.6 | Low | 69.1 | Low | 116 Ų | 116 | 104.5 Ų | 104.5 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -34.2 | 177.6 | -72.2 | 170.3 | 0 | 0 | 0 | 113 | Q16 R18 Q24 | Q16-L20 WeakPolarHBondContact O-CG 3.46Å; Q16-L20 PolarHBondContact O-N 3.05Å; R18-L20 PolarHBondContact O-N 3.48Å; L20-Q24 WeakPolarHBondContact O-CB 3.24Å; L20-Q24 PolarHBondContact O-N 3.35Å; L20-Q24 VanDerWaalsContact O-N 3.09Å |
| 21 | N | 63.8 | Low | 69.5 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.3 | -35.6 | 179.3 | -69 | -19.5 | 0 | 0 | 0 | 112.4 | Q17 R18 K19 S25 | Q17-N21 PolarHBondContact O-N 3.5Å; Q17-N21 PolarHBondContact O-ND2 2.96Å; R18-N21 PolarHBondContact O-N 3.32Å; K19-N21 VanDerWaalsContact C-N 3.29Å; K19-N21 PolarHBondContact O-N 3.43Å; N21-S25 PolarHBondContact O-N 3.15Å |
| 22 | E | 65.5 | Low | 69.9 | Low | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 175.6 | -70.9 | 170.4 | -168.9 | 0 | 0 | 110.8 | R18 K19 Q24 S25 A26 | R18-E22 PolarHBondContact O-N 2.92Å; K19-E22 PolarHBondContact O-N 3.46Å; E22-Q24 PolarHBondContact O-N 3.42Å; E22-S25 PolarHBondContact O-N 3.47Å; E22-A26 PolarHBondContact O-N 3.42Å |
| 23 | D | 63.5 | Low | 70.3 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 178.9 | -68.1 | -25.2 | 0 | 0 | 0 | 112.1 | K19 A26 F27 | K19-D23 PolarHBondContact O-N 2.93Å; K19-D23 VanDerWaalsContact O-N 3.07Å; D23-A26 PolarHBondContact O-N 3.47Å; D23-F27 WeakPolarHBondContact O-CB 3.16Å; D23-F27 PolarHBondContact O-N 3.14Å |
| 24 | Q | 67.5 | Low | 70.4 | Confident | 101 Ų | 101 | 100 Ų | 100 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.4 | -40.6 | 177.3 | -171.7 | 64 | 44.2 | 0 | 0 | 112.1 | L20 E22 A26 F27 D28 | L20-Q24 WeakPolarHBondContact O-CB 3.24Å; L20-Q24 PolarHBondContact O-N 3.35Å; L20-Q24 VanDerWaalsContact O-N 3.09Å; E22-Q24 PolarHBondContact O-N 3.42Å; Q24-A26 VanDerWaalsContact C-N 3.34Å; Q24-A26 PolarHBondContact O-N 2.94Å; Q24-F27 PolarHBondContact O-N 3.11Å; Q24-D28 PolarHBondContact NE2-OD1 3.46Å; Q24-D28 VanDerWaalsContact O-CG 3.27Å; Q24-D28 PolarHBondContact O-N 3.38Å |
| 25 | S | 72.7 | Confident | 70.4 | Confident | 63 Ų | 63 | 102.8 Ų | 102.8 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 178.4 | -170.9 | 0 | 0 | 0 | 0 | 112 | N21 E22 Q29 | N21-S25 PolarHBondContact O-N 3.15Å; E22-S25 PolarHBondContact O-N 3.47Å; S25-Q29 WeakPolarHBondContact O-CG 3.37Å; S25-Q29 PolarHBondContact O-N 3.46Å |
| 26 | A | 73.3 | Confident | 70.4 | Confident | 47 Ų | 47 | 102.1 Ų | 102.1 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E22 D23 Q24 Q29 I30 | E22-A26 PolarHBondContact O-N 3.42Å; D23-A26 PolarHBondContact O-N 3.47Å; Q24-A26 VanDerWaalsContact C-N 3.34Å; Q24-A26 PolarHBondContact O-N 2.94Å; A26-Q29 PolarHBondContact O-N 3.42Å; A26-I30 VanDerWaalsContact O-CG1 3.29Å; A26-I30 WeakPolarHBondContact O-CG1 3.11Å; A26-I30 PolarHBondContact O-N 3.07Å; A26-I30 VanDerWaalsContact O-N 3.09Å |
| 27 | F | 74.2 | Confident | 70.4 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.3 | -176 | -98.1 | 0 | 0 | 0 | 112.4 | D23 Q24 Q29 I30 M31 | D23-F27 WeakPolarHBondContact O-CB 3.16Å; D23-F27 PolarHBondContact O-N 3.14Å; Q24-F27 PolarHBondContact O-N 3.11Å; F27-Q29 VanDerWaalsContact C-N 3.32Å; F27-Q29 PolarHBondContact O-N 3.18Å; F27-I30 PolarHBondContact O-N 3.17Å; F27-M31 HydrophobicContact CD1-CG 3.97Å; F27-M31 HydrophobicContact CE1-CG 3.51Å; F27-M31 HydrophobicContact CE1-SD 4.37Å; F27-M31 HydrophobicContact CE2-CG 4.15Å; F27-M31 HydrophobicContact CE2-SD 4.48Å; F27-M31 HydrophobicContact CG-CG 4.48Å; F27-M31 HydrophobicContact CZ-CG 3.61Å; F27-M31 HydrophobicContact CZ-SD 3.95Å; F27-M31 WeakPolarHBondContact O-CB 3.22Å; F27-M31 WeakPolarHBondContact O-CG 3.42Å; F27-M31 PolarHBondContact O-N 2.92Å |
| 28 | D | 77.9 | Confident | 70.1 | Confident | 85 Ų | 85 | 97.8 Ų | 97.8 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 179.4 | -69.3 | -14.7 | 0 | 0 | 0 | 111.9 | Q24 A32 | Q24-D28 PolarHBondContact NE2-OD1 3.46Å; Q24-D28 VanDerWaalsContact O-CG 3.27Å; Q24-D28 PolarHBondContact O-N 3.38Å; D28-A32 WeakPolarHBondContact O-CB 3.36Å; D28-A32 PolarHBondContact O-N 2.9Å |
| 29 | Q | 79.9 | Confident | 69.6 | Low | 133 Ų | 133 | 98.7 Ų | 98.7 | 62% | 0.621 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -45.2 | 173.6 | -73.2 | 177.9 | 27.5 | 0 | 0 | 112 | S25 A26 F27 A32 E33 | S25-Q29 WeakPolarHBondContact O-CG 3.37Å; S25-Q29 PolarHBondContact O-N 3.46Å; A26-Q29 PolarHBondContact O-N 3.42Å; F27-Q29 VanDerWaalsContact C-N 3.32Å; F27-Q29 PolarHBondContact O-N 3.18Å; Q29-A32 PolarHBondContact O-N 3.39Å; Q29-E33 PolarHBondContact O-N 3.46Å |
| 30 | I | 79.1 | Confident | 69.2 | Low | 96 Ų | 96 | 97.6 Ų | 97.6 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.8 | -66.4 | 164.9 | 0 | 0 | 0 | 110.5 | A26 F27 A32 E33 V34 | A26-I30 VanDerWaalsContact O-CG1 3.29Å; A26-I30 WeakPolarHBondContact O-CG1 3.11Å; A26-I30 PolarHBondContact O-N 3.07Å; A26-I30 VanDerWaalsContact O-N 3.09Å; F27-I30 PolarHBondContact O-N 3.17Å; I30-A32 PolarHBondContact O-N 2.83Å; I30-E33 PolarHBondContact O-N 2.64Å; I30-V34 HydrophobicContact CG2-CG2 4.37Å; I30-V34 VanDerWaalsContact O-CG2 3.29Å; I30-V34 WeakPolarHBondContact O-CG2 3.26Å; I30-V34 PolarHBondContact O-N 3.5Å |
| 31 | M | 75.8 | Confident | 68.7 | Low | 73 Ų | 73 | 101.2 Ų | 101.2 | 36% | 0.36 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 177.5 | -74.4 | -65.8 | -76 | 0 | 0 | 111.7 | F27 E33 V34 H35 | F27-M31 HydrophobicContact CD1-CG 3.97Å; F27-M31 HydrophobicContact CE1-CG 3.51Å; F27-M31 HydrophobicContact CE1-SD 4.37Å; F27-M31 HydrophobicContact CE2-CG 4.15Å; F27-M31 HydrophobicContact CE2-SD 4.48Å; F27-M31 HydrophobicContact CG-CG 4.48Å; F27-M31 HydrophobicContact CZ-CG 3.61Å; F27-M31 HydrophobicContact CZ-SD 3.95Å; F27-M31 WeakPolarHBondContact O-CB 3.22Å; F27-M31 WeakPolarHBondContact O-CG 3.42Å; F27-M31 PolarHBondContact O-N 2.92Å; M31-E33 VanDerWaalsContact C-N 3.33Å; M31-E33 PolarHBondContact O-N 3.49Å; M31-V34 PolarHBondContact O-N 3.06Å; M31-H35 WeakPolarHBondContact O-CB 3.25Å; M31-H35 PolarHBondContact O-CD2 3.43Å; M31-H35 PolarHBondContact O-N 3.4Å |
| 32 | A | 76.3 | Confident | 67.9 | Low | 62 Ų | 62 | 103.8 Ų | 103.8 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D28 Q29 I30 H35 S36 | D28-A32 WeakPolarHBondContact O-CB 3.36Å; D28-A32 PolarHBondContact O-N 2.9Å; Q29-A32 PolarHBondContact O-N 3.39Å; I30-A32 PolarHBondContact O-N 2.83Å; A32-H35 PolarHBondContact O-N 3.03Å; A32-S36 PolarHBondContact O-N 3Å |
| 33 | E | 76.2 | Confident | 67 | Low | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 175.9 | -169.6 | 177.2 | -178.8 | 0 | 0 | 111.4 | Q29 I30 M31 H35 S36 I37 | Q29-E33 PolarHBondContact O-N 3.46Å; I30-E33 PolarHBondContact O-N 2.64Å; M31-E33 VanDerWaalsContact C-N 3.33Å; M31-E33 PolarHBondContact O-N 3.49Å; E33-H35 VanDerWaalsContact C-N 3.32Å; E33-H35 PolarHBondContact O-N 3.48Å; E33-S36 WeakPolarHBondContact O-CB 3.48Å; E33-S36 PolarHBondContact O-N 3.03Å; E33-S36 VanDerWaalsContact O-N 3.08Å; E33-S36 PolarHBondContact O-OG 3Å; E33-I37 HydrophobicContact CG-CD1 4.13Å; E33-I37 WeakPolarHBondContact O-CG1 3.48Å; E33-I37 PolarHBondContact O-N 3.3Å |
| 34 | V | 73.2 | Confident | 65.9 | Low | 70 Ų | 70 | 97.1 Ų | 97.1 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.9 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | I30 M31 S36 I37 T38 | I30-V34 HydrophobicContact CG2-CG2 4.37Å; I30-V34 VanDerWaalsContact O-CG2 3.29Å; I30-V34 WeakPolarHBondContact O-CG2 3.26Å; I30-V34 PolarHBondContact O-N 3.5Å; M31-V34 PolarHBondContact O-N 3.06Å; V34-S36 VanDerWaalsContact C-N 3.35Å; V34-I37 PolarHBondContact O-N 2.85Å; V34-T38 WeakPolarHBondContact O-CB 3.35Å; V34-T38 PolarHBondContact O-N 3.03Å; V34-T38 PolarHBondContact O-OG1 3.41Å |
| 35 | H | 69.9 | Low | 64.7 | Low | 101 Ų | 101 | 98 Ų | 98 | 47% | 0.468 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65 | -35.5 | 174.4 | -79.7 | -59.4 | 0 | 0 | 0 | 112.7 | M31 A32 E33 T38 R39 | M31-H35 WeakPolarHBondContact O-CB 3.25Å; M31-H35 PolarHBondContact O-CD2 3.43Å; M31-H35 PolarHBondContact O-N 3.4Å; A32-H35 PolarHBondContact O-N 3.03Å; E33-H35 VanDerWaalsContact C-N 3.32Å; E33-H35 PolarHBondContact O-N 3.48Å; H35-T38 VanDerWaalsContact CA-OG1 3.3Å; H35-T38 WeakPolarHBondContact CA-OG1 3.37Å; H35-T38 PolarHBondContact O-OG1 3.38Å; H35-R39 WeakPolarHBondContact O-CB 3.31Å; H35-R39 VanDerWaalsContact O-CG 3.28Å; H35-R39 WeakPolarHBondContact O-CG 3.45Å; H35-R39 PolarHBondContact O-N 3Å |
| 36 | S | 70.6 | Confident | 63.3 | Low | 63 Ų | 63 | 101.7 Ų | 101.7 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 174.9 | 82 | 0 | 0 | 0 | 0 | 111.5 | A32 E33 V34 R39 V40 | A32-S36 PolarHBondContact O-N 3Å; E33-S36 WeakPolarHBondContact O-CB 3.48Å; E33-S36 PolarHBondContact O-N 3.03Å; E33-S36 VanDerWaalsContact O-N 3.08Å; E33-S36 PolarHBondContact O-OG 3Å; V34-S36 VanDerWaalsContact C-N 3.35Å; S36-R39 PolarHBondContact O-N 3.28Å; S36-V40 VanDerWaalsContact O-CG2 3.31Å; S36-V40 WeakPolarHBondContact O-CG2 3.45Å; S36-V40 PolarHBondContact O-N 3.1Å; S36-V40 VanDerWaalsContact O-N 3.1Å |
| 37 | I | 66 | Low | 61.7 | Low | 82 Ų | 82 | 101.7 Ų | 101.7 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 179.9 | -64.1 | 163.8 | 0 | 0 | 0 | 111.1 | E33 V34 V40 R41 | E33-I37 HydrophobicContact CG-CD1 4.13Å; E33-I37 WeakPolarHBondContact O-CG1 3.48Å; E33-I37 PolarHBondContact O-N 3.3Å; V34-I37 PolarHBondContact O-N 2.85Å; I37-V40 PolarHBondContact O-N 3.42Å; I37-R41 PolarHBondContact O-N 2.95Å; I37-R41 VanDerWaalsContact O-N 3.07Å |
| 38 | T | 58.6 | Low | 59.7 | Low | 59 Ų | 59 | 101.7 Ų | 101.7 | 36% | 0.362 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 178.7 | 42.9 | 0 | 0 | 0 | 0 | 112.3 | V34 H35 R41 Y42 | V34-T38 WeakPolarHBondContact O-CB 3.35Å; V34-T38 PolarHBondContact O-N 3.03Å; V34-T38 PolarHBondContact O-OG1 3.41Å; H35-T38 VanDerWaalsContact CA-OG1 3.3Å; H35-T38 WeakPolarHBondContact CA-OG1 3.37Å; H35-T38 PolarHBondContact O-OG1 3.38Å; T38-R41 PolarHBondContact O-N 2.85Å; T38-Y42 WeakPolarHBondContact O-CD2 3.47Å; T38-Y42 PolarHBondContact O-N 3.5Å |
| 39 | R | 55.4 | Low | 57.7 | Low | 197 Ų | 197 | 106.1 Ų | 106.1 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.6 | -34.4 | 171.7 | -76.7 | 179.9 | -179 | -172.6 | 2.6 | 112.8 | H35 S36 G43 | H35-R39 WeakPolarHBondContact O-CB 3.31Å; H35-R39 VanDerWaalsContact O-CG 3.28Å; H35-R39 WeakPolarHBondContact O-CG 3.45Å; H35-R39 PolarHBondContact O-N 3Å; S36-R39 PolarHBondContact O-N 3.28Å; R39-G43 WeakPolarHBondContact O-CA 3.44Å; R39-G43 PolarHBondContact O-N 3.18Å |
| 40 | V | 53.9 | Low | 55.6 | Low | 104 Ų | 104 | 103.2 Ų | 103.2 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.8 | -35.3 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | S36 I37 S44 | S36-V40 VanDerWaalsContact O-CG2 3.31Å; S36-V40 WeakPolarHBondContact O-CG2 3.45Å; S36-V40 PolarHBondContact O-N 3.1Å; S36-V40 VanDerWaalsContact O-N 3.1Å; I37-V40 PolarHBondContact O-N 3.42Å; V40-S44 PolarHBondContact O-OG 3.04Å |
| 41 | R | 49.3 | Very low | 53.7 | Low | 191 Ų | 191 | 107.3 Ų | 107.3 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -84.7 | -23.2 | -178.2 | -68.5 | -161.1 | 179.5 | -167.5 | 1.9 | 115.4 | I37 T38 | I37-R41 PolarHBondContact O-N 2.95Å; I37-R41 VanDerWaalsContact O-N 3.07Å; T38-R41 PolarHBondContact O-N 2.85Å |
| 42 | Y | 47.7 | Very low | 51.7 | Low | 176 Ų | 176 | 112.2 Ų | 112.2 | 69% | 0.69 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -103.4 | -16.1 | 172.3 | -71.3 | -83.8 | 0 | 0 | 0 | 113.5 | T38 | T38-Y42 WeakPolarHBondContact O-CD2 3.47Å; T38-Y42 PolarHBondContact O-N 3.5Å |
| 43 | G | 45.4 | Very low | 49.8 | Very low | 35 Ų | 35 | 115.8 Ų | 115.8 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -85.4 | -12 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R39 S47 | R39-G43 WeakPolarHBondContact O-CA 3.44Å; R39-G43 PolarHBondContact O-N 3.18Å; G43-S47 WeakPolarHBondContact O-CB 3.42Å; G43-S47 PolarHBondContact O-OG 3.47Å |
| 44 | S | 41 | Very low | 47.9 | Very low | 69 Ų | 69 | 118.7 Ų | 118.7 | 48% | 0.483 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -13.7 | 175.4 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | V40 | V40-S44 PolarHBondContact O-OG 3.04Š|
| 45 | V | 42.6 | Very low | 46.2 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | -17.6 | 176 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 46 | L | 43.7 | Very low | 44.8 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -107.1 | -1.8 | 174.6 | -80 | 160.5 | 0 | 0 | 0 | 114.6 | ||
| 47 | S | 39.7 | Very low | 43.3 | Very low | 48 Ų | 48 | 126.1 Ų | 126.1 | 34% | 0.336 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -102.3 | -7.6 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 115.3 | G43 Q49 | G43-S47 WeakPolarHBondContact O-CB 3.42Å; G43-S47 PolarHBondContact O-OG 3.47Å; S47-Q49 VanDerWaalsContact C-N 3.32Å; S47-Q49 PolarHBondContact O-N 3.11Å |
| 48 | C | 31.6 | Very low | 41.6 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -80.5 | -4.3 | 174.4 | -70.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 49 | Q | 35.9 | Very low | 40.6 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -122.6 | -3.1 | 170.5 | -68 | -146.2 | -0.7 | 0 | 0 | 115 | S47 | S47-Q49 VanDerWaalsContact C-N 3.32Å; S47-Q49 PolarHBondContact O-N 3.11Å |
| 50 | A | 36.5 | Very low | 39.8 | Very low | 72 Ų | 72 | 133.7 Ų | 133.7 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -101.4 | 2.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 51 | K | 38.6 | Very low | 38.8 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -110.1 | -2.5 | 177.7 | -70.6 | -177.2 | 178.9 | 178 | 0 | 114.5 | ||
| 52 | H | 33.8 | Very low | 38.6 | Very low | 175 Ų | 175 | 138.9 Ų | 138.9 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -101 | -2.2 | -178.4 | -158.1 | -81 | 0 | 0 | 0 | 113.9 | ||
| 53 | L | 35.9 | Very low | 38.1 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 72% | 0.723 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -127.4 | 124 | 173.4 | -82.5 | 121 | 0 | 0 | 0 | 108.1 | ||
| 54 | Q | 37.4 | Very low | 37.6 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 104.2 | 13.1 | 160.4 | -55.8 | -167.2 | -25.6 | 0 | 0 | 122.6 | ||
| 55 | V | 36.2 | Very low | 37.5 | Very low | 148 Ų | 148 | 145 Ų | 145 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -128.7 | 29.9 | 155.5 | -155.1 | 0 | 0 | 0 | 0 | 112.8 | S57 | V55-S57 VanDerWaalsContact C-N 3.29Š|
| 56 | V | 41 | Very low | 37.5 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -95.4 | 64.5 | 149.4 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | ||
| 57 | S | 38.2 | Very low | 37.1 | Very low | 94 Ų | 94 | 147.3 Ų | 147.3 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -169.1 | 88.5 | 159.2 | -166.3 | 0 | 0 | 0 | 0 | 108.2 | V55 | V55-S57 VanDerWaalsContact C-N 3.29Š| ||
| 58 | G | 32.1 | Very low | 37.4 | Very low | 68 Ų | 68 | 152.6 Ų | 152.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -52.6 | 158.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 59 | K | 36.9 | Very low | 37.7 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 70.4 | 97 | 179.2 | -75.7 | 165.8 | 169.2 | 167.3 | 0 | 115.4 | ||||
| 60 | R | 38.1 | Very low | 37.7 | Very low | 240 Ų | 240 | 150.1 Ų | 150.1 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | 146 | 127.5 | 119.6 | -79 | 168.1 | -170.2 | -165.5 | 3.9 | 112.1 | |||||
| 61 | R | 33.3 | Very low | 37.6 | Very low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -52.9 | 140.7 | 161.9 | -61.9 | 172.5 | -176.2 | 174.1 | -0.2 | 109.6 | ||||
| 62 | I | 44.2 | Very low | 37.5 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -164.3 | 131.3 | 136 | -84.7 | 135.6 | 0 | 0 | 0 | 107.9 | ||||
| 63 | I | 38.5 | Very low | 37.5 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -89.2 | 135.5 | 174.4 | -65.8 | 161.9 | 0 | 0 | 0 | 107.4 | ||||
| 64 | G | 35.6 | Very low | 37.7 | Very low | 63 Ų | 63 | 147.4 Ų | 147.4 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | 124.7 | 107.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 65 | Q | 38.2 | Very low | 37.8 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | 41.4 | 131.6 | 144.1 | -66.4 | -173.1 | -24.2 | 0 | 0 | 122.7 | ||||
| 66 | F | 41.9 | Very low | 37.9 | Very low | 216 Ų | 216 | 143.3 Ų | 143.3 | 95% | 0.947 | 80% | 0.798 | S | S | * | * | -150.4 | 132 | 128.9 | -75.8 | -72.2 | 0 | 0 | 0 | 110.9 | |||||
| 67 | S | 35.5 | Very low | 37.6 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -92.8 | 141.2 | 168.2 | -82.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 68 | L | 46.8 | Very low | 37.5 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -128.1 | 122.4 | 150.6 | -85.8 | 148.9 | 0 | 0 | 0 | 105.3 | ||||
| 69 | D | 36.7 | Very low | 37.6 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 86.2 | 65.4 | 164.3 | -40.8 | -26.3 | 0 | 0 | 0 | 117.7 | ||
| 70 | G | 37.2 | Very low | 37.7 | Very low | 82 Ų | 82 | 149.1 Ų | 149.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | S | Bend | 105.2 | -9.1 | 115.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||
| 71 | S | 34.6 | Very low | 37.9 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -153.8 | 92.1 | 169.2 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 72 | F | 34.9 | Very low | 38.3 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | -135.4 | 104.8 | 169.8 | -152.9 | -93.2 | 0 | 0 | 0 | 108.5 | ||||
| 73 | S | 33.7 | Very low | 38.2 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -118.9 | 95.9 | 164.3 | 61.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 74 | V | 40.6 | Very low | 38.7 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 65% | 0.648 | 76% | 0.756 | S | S | * | * | 89.1 | 97.3 | 84.7 | 172 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 75 | T | 40.7 | Very low | 38.9 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | trans | 71.6 | 124.7 | 142.4 | 55.8 | 0 | 0 | 0 | 0 | 121.4 | V77 | T75-V77 PolarHBondContact O-N 3.43Š| ||
| 76 | P | 38.1 | Very low | 39.2 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -92.9 | 97.5 | 178.9 | 36 | -28.2 | 0 | 0 | 0 | 110.4 | ||||
| 77 | V | 33.2 | Very low | 39.4 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | trans | -145.8 | 125.6 | 164 | -161.8 | 0 | 0 | 0 | 0 | 108.2 | T75 | T75-V77 PolarHBondContact O-N 3.43Š| ||
| 78 | L | 36.1 | Very low | 40 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 78.7 | 126.2 | 172.7 | -68.7 | 123.3 | 0 | 0 | 0 | 118.5 | ||
| 79 | K | 35.3 | Very low | 39.8 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 70% | 0.7 | 71% | 0.71 | S | S | * | * | trans | 87.4 | 77.8 | 157.7 | -61.9 | 177 | -177.1 | -179 | 0 | 117.9 | K81 | K79-K81 PolarHBondContact O-N 2.96Š| ||
| 80 | H | 37.6 | Very low | 40.3 | Very low | 189 Ų | 189 | 129 Ų | 129 | 88% | 0.875 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 20.3 | 168.5 | -129.7 | -73.4 | 0 | 0 | 0 | 117.2 | ||
| 81 | K | 42.4 | Very low | 40.9 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | -13.2 | -176.4 | -86.1 | -173.6 | 173.8 | -176.6 | 0 | 116.1 | K79 | K79-K81 PolarHBondContact O-N 2.96Š|
| 82 | Y | 43.5 | Very low | 41.7 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | -11.2 | -175.5 | -64.6 | -79.4 | 0 | 0 | 0 | 114.7 | I84 F85 | Y82-I84 VanDerWaalsContact C-N 3.33Å; Y82-I84 PolarHBondContact O-N 3.31Å; Y82-F85 PolarHBondContact O-N 3.06Å |
| 83 | A | 41.4 | Very low | 42.7 | Very low | 67 Ų | 67 | 129 Ų | 129 | 55% | 0.554 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -70.8 | -26.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F85 | A83-F85 VanDerWaalsContact C-N 3.32Å |
| 84 | I | 49 | Very low | 43.7 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 65% | 0.646 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.7 | -32.8 | 178.2 | -61.6 | 172.7 | 0 | 0 | 0 | 110.6 | Y82 L87 V88 | Y82-I84 VanDerWaalsContact C-N 3.33Å; Y82-I84 PolarHBondContact O-N 3.31Å; I84-L87 PolarHBondContact O-N 3.27Å; I84-V88 HydrophobicContact CG2-CG2 4.29Å; I84-V88 VanDerWaalsContact O-CG2 3.31Å; I84-V88 WeakPolarHBondContact O-CG2 3.47Å; I84-V88 PolarHBondContact O-N 3.33Å; I84-V88 VanDerWaalsContact O-N 3.17Å |
| 85 | F | 39.8 | Very low | 44.4 | Very low | 148 Ų | 148 | 131 Ų | 131 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.5 | -43.4 | -176.3 | -146.8 | -89.8 | 0 | 0 | 0 | 111.9 | Y82 A83 L87 V88 D89 | Y82-F85 PolarHBondContact O-N 3.06Å; A83-F85 VanDerWaalsContact C-N 3.32Å; F85-L87 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3.46Å; F85-V88 PolarHBondContact O-N 2.97Å; F85-D89 PolarHBondContact O-N 3.49Å |
| 86 | W | 43.2 | Very low | 45.4 | Very low | 197 Ų | 197 | 127.5 Ų | 127.5 | 75% | 0.746 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -69.3 | -29.2 | 177.3 | -80.4 | 90.1 | 0 | 0 | 0 | 114 | C90 | W86-C90 PolarHBondContact O-N 3.24Å |
| 87 | L | 46.7 | Very low | 46.4 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.9 | -30.7 | 179.3 | -124.8 | 139.9 | 0 | 0 | 0 | 112 | I84 F85 Q91 | I84-L87 PolarHBondContact O-N 3.27Å; F85-L87 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3.46Å; L87-Q91 PolarHBondContact O-N 2.88Å |
| 88 | V | 47.6 | Very low | 47.8 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.9 | -39.3 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | I84 F85 Q91 M92 | I84-V88 HydrophobicContact CG2-CG2 4.29Å; I84-V88 VanDerWaalsContact O-CG2 3.31Å; I84-V88 WeakPolarHBondContact O-CG2 3.47Å; I84-V88 PolarHBondContact O-N 3.33Å; I84-V88 VanDerWaalsContact O-N 3.17Å; F85-V88 PolarHBondContact O-N 2.97Å; V88-Q91 PolarHBondContact O-N 3.39Å; V88-M92 PolarHBondContact O-N 3.42Å |
| 89 | D | 42.6 | Very low | 49.3 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 42% | 0.422 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.4 | -38.9 | 179 | -75.1 | -38.2 | 0 | 0 | 0 | 112.6 | F85 Q91 M92 V93 | F85-D89 PolarHBondContact O-N 3.49Å; D89-Q91 PolarHBondContact O-N 2.87Å; D89-M92 PolarHBondContact O-N 2.71Å; D89-V93 WeakPolarHBondContact O-CG2 3.45Å; D89-V93 PolarHBondContact O-N 3.38Å |
| 90 | C | 47.3 | Very low | 50.7 | Low | 81 Ų | 81 | 123 Ų | 123 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.5 | -38.6 | 176.5 | -81.7 | 0 | 0 | 0 | 0 | 113 | W86 V93 | W86-C90 PolarHBondContact O-N 3.24Å; C90-V93 PolarHBondContact O-N 2.68Å |
| 91 | Q | 50.9 | Low | 52.3 | Low | 124 Ų | 124 | 120 Ų | 120 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.2 | -33.4 | 178.8 | -79.3 | -169.6 | -19.8 | 0 | 0 | 113.2 | L87 V88 D89 V93 D94 F95 | L87-Q91 PolarHBondContact O-N 2.88Å; V88-Q91 PolarHBondContact O-N 3.39Å; D89-Q91 PolarHBondContact O-N 2.87Å; Q91-V93 VanDerWaalsContact C-N 3.32Å; Q91-V93 PolarHBondContact O-N 3.08Å; Q91-D94 PolarHBondContact O-N 3.21Å; Q91-F95 WeakPolarHBondContact O-CD2 3.29Å; Q91-F95 PolarHBondContact O-N 2.94Å |
| 92 | M | 51.9 | Low | 53.7 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 70% | 0.695 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.9 | -33.6 | 177.6 | -77.6 | -149.9 | 97 | 0 | 0 | 112.7 | V88 D89 G96 | V88-M92 PolarHBondContact O-N 3.42Å; D89-M92 PolarHBondContact O-N 2.71Å; M92-G96 PolarHBondContact O-N 3.1Å |
| 93 | V | 55.1 | Low | 55 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.8 | -40.1 | 179.4 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | D89 C90 Q91 G96 F97 | D89-V93 WeakPolarHBondContact O-CG2 3.45Å; D89-V93 PolarHBondContact O-N 3.38Å; C90-V93 PolarHBondContact O-N 2.68Å; Q91-V93 VanDerWaalsContact C-N 3.32Å; Q91-V93 PolarHBondContact O-N 3.08Å; V93-G96 PolarHBondContact O-N 2.84Å; V93-F97 PolarHBondContact O-N 3.39Å |
| 94 | D | 55.7 | Low | 56.3 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.3 | -37.4 | 177.1 | -73.9 | -34.6 | 0 | 0 | 0 | 112.6 | Q91 T98 | Q91-D94 PolarHBondContact O-N 3.21Å; D94-T98 WeakPolarHBondContact O-CG2 3.46Å; D94-T98 PolarHBondContact O-N 3.13Å; D94-T98 VanDerWaalsContact O-N 3.14Å; D94-T98 PolarHBondContact O-OG1 3.49Å |
| 95 | F | 55 | Low | 57.2 | Low | 155 Ų | 155 | 121 Ų | 121 | 68% | 0.68 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.4 | -39.2 | 172.5 | -95.6 | -82.3 | 0 | 0 | 0 | 112.3 | Q91 T98 F99 | Q91-F95 WeakPolarHBondContact O-CD2 3.29Å; Q91-F95 PolarHBondContact O-N 2.94Å; F95-T98 PolarHBondContact O-OG1 2.97Å; F95-T98 VanDerWaalsContact O-OG1 3.07Å; F95-F99 VanDerWaalsContact O-CB 3.26Å; F95-F99 WeakPolarHBondContact O-CB 3.3Å; F95-F99 PolarHBondContact O-N 3Å |
| 96 | G | 60.1 | Low | 58.7 | Low | 44 Ų | 44 | 116.9 Ų | 116.9 | 45% | 0.454 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M92 V93 W100 | M92-G96 PolarHBondContact O-N 3.1Å; V93-G96 PolarHBondContact O-N 2.84Å; G96-W100 WeakPolarHBondContact O-CB 3.28Å; G96-W100 PolarHBondContact O-N 2.99Å |
| 97 | F | 59.7 | Low | 59.8 | Low | 112 Ų | 112 | 113.3 Ų | 113.3 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.4 | -38.5 | -178.2 | -164.5 | -107.5 | 0 | 0 | 0 | 112.9 | V93 K101 | V93-F97 PolarHBondContact O-N 3.39Å; F97-K101 HydrophobicContact CD1-CD 4.45Å; F97-K101 HydrophobicContact CE1-CD 4.15Å; F97-K101 VanDerWaalsContact CE1-CE 3.4Å; F97-K101 PolarHBondContact O-N 3.07Å; F97-K101 VanDerWaalsContact O-N 3.13Å |
| 98 | T | 63.8 | Low | 60.5 | Low | 84 Ų | 84 | 114 Ų | 114 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.6 | -40.8 | 175.3 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | D94 F95 W100 K101 W102 | D94-T98 WeakPolarHBondContact O-CG2 3.46Å; D94-T98 PolarHBondContact O-N 3.13Å; D94-T98 VanDerWaalsContact O-N 3.14Å; D94-T98 PolarHBondContact O-OG1 3.49Å; F95-T98 PolarHBondContact O-OG1 2.97Å; F95-T98 VanDerWaalsContact O-OG1 3.07Å; T98-W100 PolarHBondContact O-N 3.14Å; T98-K101 PolarHBondContact O-N 2.87Å; T98-W102 WeakPolarHBondContact O-CB 3.37Å; T98-W102 PolarHBondContact O-N 3.25Å |
| 99 | F | 66 | Low | 61.3 | Low | 121 Ų | 121 | 113.6 Ų | 113.6 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 174.6 | -174.4 | -99.6 | 0 | 0 | 0 | 112 | F95 W102 W103 | F95-F99 VanDerWaalsContact O-CB 3.26Å; F95-F99 WeakPolarHBondContact O-CB 3.3Å; F95-F99 PolarHBondContact O-N 3Å; F99-W102 HydrophobicContact CE2-CE3 4.43Å; F99-W102 HydrophobicContact CE2-CZ3 4.48Å; F99-W102 PolarHBondContact O-N 3.42Å; F99-W103 HydrophobicContact CE1-CE3 4.33Å; F99-W103 AromaticContact CZ-CE3 3.97Å; F99-W103 HydrophobicContact CZ-CE3 3.97Å; F99-W103 HydrophobicContact CZ-CZ3 4.39Å; F99-W103 VanDerWaalsContact O-CB 3.26Å; F99-W103 WeakPolarHBondContact O-CB 3.41Å; F99-W103 PolarHBondContact O-N 3.09Å |
| 100 | W | 66.2 | Low | 62.1 | Low | 149 Ų | 149 | 117.4 Ų | 117.4 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.1 | -40.4 | 178.4 | -168.5 | 57.6 | 0 | 0 | 0 | 112.6 | G96 T98 R104 | G96-W100 WeakPolarHBondContact O-CB 3.28Å; G96-W100 PolarHBondContact O-N 2.99Å; T98-W100 PolarHBondContact O-N 3.14Å; W100-R104 PolarHBondContact O-N 3.32Å; W100-R104 VanDerWaalsContact O-N 3.1Å |
| 101 | K | 70.7 | Confident | 62.7 | Low | 125 Ų | 125 | 119.1 Ų | 119.1 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -44.7 | 172.6 | -83.3 | -175.3 | 175.6 | 177.9 | 0 | 112.1 | F97 T98 R104 H105 | F97-K101 HydrophobicContact CD1-CD 4.45Å; F97-K101 HydrophobicContact CE1-CD 4.15Å; F97-K101 VanDerWaalsContact CE1-CE 3.4Å; F97-K101 PolarHBondContact O-N 3.07Å; F97-K101 VanDerWaalsContact O-N 3.13Å; T98-K101 PolarHBondContact O-N 2.87Å; K101-R104 PolarHBondContact O-N 2.87Å; K101-H105 PolarHBondContact O-N 3.41Å |
| 102 | W | 72.5 | Confident | 63.3 | Low | 155 Ų | 155 | 117.7 Ų | 117.7 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.7 | -46 | 178.3 | -176.6 | 80.9 | 0 | 0 | 0 | 111.9 | T98 F99 R104 H105 V106 | T98-W102 WeakPolarHBondContact O-CB 3.37Å; T98-W102 PolarHBondContact O-N 3.25Å; F99-W102 HydrophobicContact CE2-CE3 4.43Å; F99-W102 HydrophobicContact CE2-CZ3 4.48Å; F99-W102 PolarHBondContact O-N 3.42Å; W102-R104 VanDerWaalsContact C-N 3.29Å; W102-R104 PolarHBondContact O-N 3.48Å; W102-H105 WeakPolarHBondContact O-CB 3.26Å; W102-H105 PolarHBondContact O-N 3.01Å; W102-V106 HydrophobicContact CD2-CG2 3.83Å; W102-V106 HydrophobicContact CE3-CG2 4.1Å; W102-V106 HydrophobicContact CG-CG2 4.47Å; W102-V106 HydrophobicContact CH2-CG2 3.95Å; W102-V106 HydrophobicContact CZ2-CG2 3.66Å; W102-V106 HydrophobicContact CZ3-CG2 4.16Å; W102-V106 WeakPolarHBondContact O-CG2 3.26Å; W102-V106 PolarHBondContact O-N 3.18Å |
| 103 | W | 70.1 | Confident | 63.7 | Low | 120 Ų | 120 | 120.4 Ų | 120.4 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59 | -38.9 | 178.2 | -172.3 | -101.3 | 0 | 0 | 0 | 112.7 | F99 V106 K107 | F99-W103 HydrophobicContact CE1-CE3 4.33Å; F99-W103 AromaticContact CZ-CE3 3.97Å; F99-W103 HydrophobicContact CZ-CE3 3.97Å; F99-W103 HydrophobicContact CZ-CZ3 4.39Å; F99-W103 VanDerWaalsContact O-CB 3.26Å; F99-W103 WeakPolarHBondContact O-CB 3.41Å; F99-W103 PolarHBondContact O-N 3.09Å; W103-V106 PolarHBondContact O-N 2.95Å; W103-K107 VanDerWaalsContact NE1-CE 3.29Å; W103-K107 PolarHBondContact O-N 3.04Å; W103-K107 VanDerWaalsContact O-N 3.11Å |
| 104 | R | 68.2 | Low | 64.1 | Low | 155 Ų | 155 | 117.4 Ų | 117.4 | 59% | 0.585 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 175.3 | -141.3 | -178.7 | -159 | 178 | 6 | 111.3 | W100 K101 W102 F108 | W100-R104 PolarHBondContact O-N 3.32Å; W100-R104 VanDerWaalsContact O-N 3.1Å; K101-R104 PolarHBondContact O-N 2.87Å; W102-R104 VanDerWaalsContact C-N 3.29Å; W102-R104 PolarHBondContact O-N 3.48Å; R104-F108 WeakPolarHBondContact O-CD2 3.47Å; R104-F108 PolarHBondContact O-N 3.32Å |
| 105 | H | 68.1 | Low | 64.2 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 65% | 0.648 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.3 | -38.9 | 177.7 | -106.5 | -82.8 | 0 | 0 | 0 | 113.4 | K101 W102 F108 S109 | K101-H105 PolarHBondContact O-N 3.41Å; W102-H105 WeakPolarHBondContact O-CB 3.26Å; W102-H105 PolarHBondContact O-N 3.01Å; H105-F108 PolarHBondContact O-N 2.96Å; H105-S109 WeakPolarHBondContact O-CB 3.29Å; H105-S109 PolarHBondContact O-N 3.49Å; H105-S109 PolarHBondContact O-OG 3.47Å |
| 106 | V | 70.8 | Confident | 64.7 | Low | 61 Ų | 61 | 122.8 Ų | 122.8 | 37% | 0.37 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.5 | -45.3 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | W102 W103 F108 S109 F110 | W102-V106 HydrophobicContact CD2-CG2 3.83Å; W102-V106 HydrophobicContact CE3-CG2 4.1Å; W102-V106 HydrophobicContact CG-CG2 4.47Å; W102-V106 HydrophobicContact CH2-CG2 3.95Å; W102-V106 HydrophobicContact CZ2-CG2 3.66Å; W102-V106 HydrophobicContact CZ3-CG2 4.16Å; W102-V106 WeakPolarHBondContact O-CG2 3.26Å; W102-V106 PolarHBondContact O-N 3.18Å; W103-V106 PolarHBondContact O-N 2.95Å; V106-F108 PolarHBondContact O-N 3.18Å; V106-S109 PolarHBondContact O-N 3.44Å; V106-F110 PolarHBondContact O-N 3.48Å |
| 107 | K | 67.7 | Low | 64.8 | Low | 121 Ų | 121 | 124 Ų | 124 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -42.3 | 176.8 | -78.3 | -167.8 | 169.8 | -174 | 0 | 112.5 | W103 F110 L111 | W103-K107 VanDerWaalsContact NE1-CE 3.29Å; W103-K107 PolarHBondContact O-N 3.04Å; W103-K107 VanDerWaalsContact O-N 3.11Å; K107-F110 PolarHBondContact O-N 3.46Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 3.46Å |
| 108 | F | 61.3 | Low | 65 | Low | 131 Ų | 131 | 126.2 Ų | 126.2 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.8 | -41 | 176.8 | -99.3 | -85.3 | 0 | 0 | 0 | 112.2 | R104 H105 V106 F110 L111 I112 | R104-F108 WeakPolarHBondContact O-CD2 3.47Å; R104-F108 PolarHBondContact O-N 3.32Å; H105-F108 PolarHBondContact O-N 2.96Å; V106-F108 PolarHBondContact O-N 3.18Å; F108-F110 PolarHBondContact O-N 3.24Å; F108-L111 PolarHBondContact O-N 3.49Å; F108-I112 WeakPolarHBondContact O-CD1 3.34Å; F108-I112 VanDerWaalsContact O-CG1 3.26Å; F108-I112 WeakPolarHBondContact O-CG1 3.49Å; F108-I112 PolarHBondContact O-N 3.19Å |
| 109 | S | 62.6 | Low | 65.2 | Low | 71 Ų | 71 | 126.5 Ų | 126.5 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | H105 V106 R113 | H105-S109 WeakPolarHBondContact O-CB 3.29Å; H105-S109 PolarHBondContact O-N 3.49Å; H105-S109 PolarHBondContact O-OG 3.47Å; V106-S109 PolarHBondContact O-N 3.44Å; S109-R113 WeakPolarHBondContact O-CB 3.42Å; S109-R113 PolarHBondContact O-N 3.48Å |
| 110 | F | 59.8 | Low | 65.3 | Low | 160 Ų | 160 | 126.3 Ų | 126.3 | 70% | 0.702 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.7 | -40.6 | 177.9 | -152.5 | -92 | 0 | 0 | 0 | 111.9 | V106 K107 F108 R113 S114 | V106-F110 PolarHBondContact O-N 3.48Å; K107-F110 PolarHBondContact O-N 3.46Å; F108-F110 PolarHBondContact O-N 3.24Å; F110-R113 PolarHBondContact O-N 3Å; F110-S114 VanDerWaalsContact O-CB 3.25Å; F110-S114 WeakPolarHBondContact O-CB 3.45Å; F110-S114 PolarHBondContact O-N 3.07Å |
| 111 | L | 60.7 | Low | 65.6 | Low | 116 Ų | 116 | 123.6 Ų | 123.6 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65 | -43.6 | 176.2 | -76.5 | 166 | 0 | 0 | 0 | 112 | K107 F108 R113 S114 W115 | K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 3.46Å; F108-L111 PolarHBondContact O-N 3.49Å; L111-R113 PolarHBondContact O-N 3.43Å; L111-S114 PolarHBondContact O-N 3.5Å; L111-W115 WeakPolarHBondContact O-CB 3.39Å; L111-W115 PolarHBondContact O-N 3.49Å |
| 112 | I | 63.1 | Low | 65.5 | Low | 94 Ų | 94 | 124 Ų | 124 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -40.7 | 178.4 | -67.5 | 165.2 | 0 | 0 | 0 | 111.1 | F108 W115 R116 | F108-I112 WeakPolarHBondContact O-CD1 3.34Å; F108-I112 VanDerWaalsContact O-CG1 3.26Å; F108-I112 WeakPolarHBondContact O-CG1 3.49Å; F108-I112 PolarHBondContact O-N 3.19Å; I112-W115 PolarHBondContact O-N 3.4Å; I112-R116 PolarHBondContact O-N 2.92Å |
| 113 | R | 60.8 | Low | 65.3 | Low | 199 Ų | 199 | 121.1 Ų | 121.1 | 75% | 0.751 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.5 | -38.9 | 179.1 | -164.3 | 159 | -177.2 | 133.3 | -2.6 | 111.9 | S109 F110 L111 R116 C117 | S109-R113 WeakPolarHBondContact O-CB 3.42Å; S109-R113 PolarHBondContact O-N 3.48Å; F110-R113 PolarHBondContact O-N 3Å; L111-R113 PolarHBondContact O-N 3.43Å; R113-R116 PolarHBondContact O-N 3.27Å; R113-C117 PolarHBondContact O-N 3.26Å; R113-C117 PolarHBondContact O-SG 3.17Å; R113-C117 VanDerWaalsContact O-SG 3.42Å |
| 114 | S | 62.5 | Low | 65.4 | Low | 42 Ų | 42 | 118.9 Ų | 118.9 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65 | -42.5 | 175.5 | -150.9 | 0 | 0 | 0 | 0 | 111 | F110 L111 R116 C117 Y118 | F110-S114 VanDerWaalsContact O-CB 3.25Å; F110-S114 WeakPolarHBondContact O-CB 3.45Å; F110-S114 PolarHBondContact O-N 3.07Å; L111-S114 PolarHBondContact O-N 3.5Å; S114-R116 VanDerWaalsContact C-N 3.34Å; S114-R116 PolarHBondContact O-N 3.2Å; S114-C117 PolarHBondContact O-N 3.31Å; S114-C117 VanDerWaalsContact O-N 3.11Å; S114-Y118 WeakPolarHBondContact O-CD2 3.46Å; S114-Y118 PolarHBondContact O-N 3.41Å; S114-Y118 WeakPolarHBondContact OG-CE2 3.31Å |
| 115 | W | 58.4 | Low | 65.5 | Low | 192 Ų | 192 | 119.3 Ų | 119.3 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -36.2 | 179.6 | -152.9 | 48.9 | 0 | 0 | 0 | 113.1 | L111 I112 Y118 N119 | L111-W115 WeakPolarHBondContact O-CB 3.39Å; L111-W115 PolarHBondContact O-N 3.49Å; I112-W115 PolarHBondContact O-N 3.4Å; W115-Y118 PolarHBondContact O-N 3.33Å; W115-N119 PolarHBondContact O-N 3.43Å; W115-N119 VanDerWaalsContact O-N 3.15Å |
| 116 | R | 65.4 | Low | 65.5 | Low | 187 Ų | 187 | 118 Ų | 118 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.4 | -39.3 | 171.8 | -75.3 | -174 | 170.6 | 179.8 | -2 | 112.6 | I112 R113 S114 N119 L120 | I112-R116 PolarHBondContact O-N 2.92Å; R113-R116 PolarHBondContact O-N 3.27Å; S114-R116 VanDerWaalsContact C-N 3.34Å; S114-R116 PolarHBondContact O-N 3.2Å; R116-N119 PolarHBondContact O-N 2.97Å; R116-L120 PolarHBondContact O-N 3.36Å; R116-L120 VanDerWaalsContact O-N 3.14Å |
| 117 | C | 62.2 | Low | 65.2 | Low | 68 Ų | 68 | 120.1 Ų | 120.1 | 46% | 0.459 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -41.7 | 176.1 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | R113 S114 N119 L120 I121 | R113-C117 PolarHBondContact O-N 3.26Å; R113-C117 PolarHBondContact O-SG 3.17Å; R113-C117 VanDerWaalsContact O-SG 3.42Å; S114-C117 PolarHBondContact O-N 3.31Å; S114-C117 VanDerWaalsContact O-N 3.11Å; C117-N119 VanDerWaalsContact C-N 3.32Å; C117-N119 PolarHBondContact O-N 3.33Å; C117-L120 PolarHBondContact O-N 3.09Å; C117-I121 WeakPolarHBondContact O-CB 3.42Å; C117-I121 WeakPolarHBondContact O-CD1 3.39Å; C117-I121 VanDerWaalsContact O-CG1 3.24Å; C117-I121 WeakPolarHBondContact O-CG1 3.37Å; C117-I121 PolarHBondContact O-N 3.28Å |
| 118 | Y | 64.6 | Low | 65 | Low | 159 Ų | 159 | 119.4 Ų | 119.4 | 62% | 0.624 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.1 | -39.5 | 176.8 | -79.8 | -71 | 0 | 0 | 0 | 112.3 | S114 W115 I121 F122 | S114-Y118 WeakPolarHBondContact O-CD2 3.46Å; S114-Y118 PolarHBondContact O-N 3.41Å; S114-Y118 WeakPolarHBondContact OG-CE2 3.31Å; W115-Y118 PolarHBondContact O-N 3.33Å; Y118-I121 PolarHBondContact O-N 3.42Å; Y118-F122 WeakPolarHBondContact O-CB 3.32Å; Y118-F122 PolarHBondContact O-N 3.25Å |
| 119 | N | 68.4 | Low | 65.1 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.3 | -37.8 | 178.9 | -126.1 | -26.5 | 0 | 0 | 0 | 112.5 | W115 R116 C117 F122 L123 | W115-N119 PolarHBondContact O-N 3.43Å; W115-N119 VanDerWaalsContact O-N 3.15Å; R116-N119 PolarHBondContact O-N 2.97Å; C117-N119 VanDerWaalsContact C-N 3.32Å; C117-N119 PolarHBondContact O-N 3.33Å; N119-F122 PolarHBondContact O-N 3.06Å; N119-L123 PolarHBondContact O-N 3.44Å |
| 120 | L | 67.8 | Low | 65 | Low | 117 Ų | 117 | 120.3 Ų | 120.3 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.3 | -41.7 | 174.8 | -113.2 | 144.9 | 0 | 0 | 0 | 112.1 | R116 C117 F122 L123 V124 | R116-L120 PolarHBondContact O-N 3.36Å; R116-L120 VanDerWaalsContact O-N 3.14Å; C117-L120 PolarHBondContact O-N 3.09Å; L120-F122 VanDerWaalsContact C-N 3.34Å; L120-L123 PolarHBondContact O-N 3.49Å; L120-V124 VanDerWaalsContact O-CG2 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.42Å; L120-V124 PolarHBondContact O-N 3.08Å |
| 121 | I | 70.9 | Confident | 65 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -42.9 | 175.1 | -68.9 | 165.4 | 0 | 0 | 0 | 109.9 | C117 Y118 L123 V124 Y125 | C117-I121 WeakPolarHBondContact O-CB 3.42Å; C117-I121 WeakPolarHBondContact O-CD1 3.39Å; C117-I121 VanDerWaalsContact O-CG1 3.24Å; C117-I121 WeakPolarHBondContact O-CG1 3.37Å; C117-I121 PolarHBondContact O-N 3.28Å; Y118-I121 PolarHBondContact O-N 3.42Å; I121-L123 PolarHBondContact O-N 3.38Å; I121-V124 PolarHBondContact O-N 3.36Å; I121-Y125 HydrophobicContact CG2-CD2 3.65Å; I121-Y125 HydrophobicContact CG2-CE2 3.81Å; I121-Y125 WeakPolarHBondContact O-CB 3.31Å; I121-Y125 WeakPolarHBondContact O-CD2 3.44Å; I121-Y125 PolarHBondContact O-N 3.18Å |
| 122 | F | 69.6 | Low | 64.8 | Low | 133 Ų | 133 | 121.1 Ų | 121.1 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.6 | -43.7 | 178.6 | -165.7 | -95.7 | 0 | 0 | 0 | 112.2 | Y118 N119 L120 V124 Y125 Q126 | Y118-F122 WeakPolarHBondContact O-CB 3.32Å; Y118-F122 PolarHBondContact O-N 3.25Å; N119-F122 PolarHBondContact O-N 3.06Å; L120-F122 VanDerWaalsContact C-N 3.34Å; F122-V124 PolarHBondContact O-N 3.45Å; F122-Y125 PolarHBondContact O-N 3.39Å; F122-Q126 PolarHBondContact O-N 3.02Å |
| 123 | L | 68 | Low | 64.5 | Low | 94 Ų | 94 | 123.1 Ų | 123.1 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.7 | -39.3 | 175 | -85.8 | 159.4 | 0 | 0 | 0 | 113.1 | N119 L120 I121 Q126 N127 | N119-L123 PolarHBondContact O-N 3.44Å; L120-L123 PolarHBondContact O-N 3.49Å; I121-L123 PolarHBondContact O-N 3.38Å; L123-Q126 PolarHBondContact O-N 3.25Å; L123-N127 PolarHBondContact O-N 3.44Å; L123-N127 VanDerWaalsContact O-N 3.12Å; L123-N127 PolarHBondContact O-ND2 3.43Å; L123-N127 VanDerWaalsContact O-ND2 3.12Å |
| 124 | V | 72.7 | Confident | 64.3 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.8 | -40.4 | 176 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L120 I121 F122 Q126 N127 L128 | L120-V124 VanDerWaalsContact O-CG2 3.31Å; L120-V124 WeakPolarHBondContact O-CG2 3.42Å; L120-V124 PolarHBondContact O-N 3.08Å; I121-V124 PolarHBondContact O-N 3.36Å; F122-V124 PolarHBondContact O-N 3.45Å; V124-Q126 PolarHBondContact O-N 3.15Å; V124-N127 PolarHBondContact O-N 2.81Å; V124-L128 HydrophobicContact CG1-CD1 3.81Å; V124-L128 WeakPolarHBondContact O-CB 3.32Å; V124-L128 PolarHBondContact O-N 3.07Å |
| 125 | Y | 70.2 | Confident | 63.7 | Low | 164 Ų | 164 | 125.9 Ų | 125.9 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | 175.3 | -97.3 | -91.1 | 0 | 0 | 0 | 112.1 | I121 F122 L128 F129 | I121-Y125 HydrophobicContact CG2-CD2 3.65Å; I121-Y125 HydrophobicContact CG2-CE2 3.81Å; I121-Y125 WeakPolarHBondContact O-CB 3.31Å; I121-Y125 WeakPolarHBondContact O-CD2 3.44Å; I121-Y125 PolarHBondContact O-N 3.18Å; F122-Y125 PolarHBondContact O-N 3.39Å; Y125-L128 PolarHBondContact O-N 3.47Å; Y125-F129 WeakPolarHBondContact O-CB 3.48Å; Y125-F129 PolarHBondContact O-N 3.24Å |
| 126 | Q | 67.8 | Low | 63.1 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 53% | 0.528 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67 | -38.6 | 179.1 | -144 | 176.1 | 4.8 | 0 | 0 | 111.9 | F122 L123 V124 S130 | F122-Q126 PolarHBondContact O-N 3.02Å; L123-Q126 PolarHBondContact O-N 3.25Å; V124-Q126 PolarHBondContact O-N 3.15Å; Q126-S130 PolarHBondContact O-N 3.04Å; Q126-S130 PolarHBondContact O-OG 3.12Å |
| 127 | N | 65.6 | Low | 62.1 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.4 | -39.9 | 174.6 | -77.3 | -44.9 | 0 | 0 | 0 | 112.7 | L123 V124 S130 L131 | L123-N127 PolarHBondContact O-N 3.44Å; L123-N127 VanDerWaalsContact O-N 3.12Å; L123-N127 PolarHBondContact O-ND2 3.43Å; L123-N127 VanDerWaalsContact O-ND2 3.12Å; V124-N127 PolarHBondContact O-N 2.81Å; N127-S130 PolarHBondContact O-N 3.32Å; N127-L131 PolarHBondContact O-N 2.81Å; N127-L131 VanDerWaalsContact O-N 3.1Å |
| 128 | L | 62.9 | Low | 61.3 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.9 | -36 | 175.3 | -86.3 | 163.8 | 0 | 0 | 0 | 112.6 | V124 Y125 S130 L131 K132 | V124-L128 HydrophobicContact CG1-CD1 3.81Å; V124-L128 WeakPolarHBondContact O-CB 3.32Å; V124-L128 PolarHBondContact O-N 3.07Å; Y125-L128 PolarHBondContact O-N 3.47Å; L128-S130 VanDerWaalsContact C-N 3.28Å; L128-S130 PolarHBondContact O-N 3.39Å; L128-L131 PolarHBondContact O-N 3.42Å; L128-K132 PolarHBondContact O-N 3.04Å |
| 129 | F | 62.3 | Low | 60.3 | Low | 151 Ų | 151 | 125.6 Ų | 125.6 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.7 | -35.6 | 176.2 | -158.1 | -94.7 | 0 | 0 | 0 | 111.4 | Y125 L133 | Y125-F129 WeakPolarHBondContact O-CB 3.48Å; Y125-F129 PolarHBondContact O-N 3.24Å; F129-L133 HydrophobicContact CD1-CD1 4.4Å; F129-L133 HydrophobicContact CE1-CD1 4.26Å |
| 130 | S | 61.4 | Low | 59.1 | Low | 70 Ų | 70 | 131.9 Ų | 131.9 | 49% | 0.49 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.5 | -32.7 | 174.2 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | Q126 N127 L128 | Q126-S130 PolarHBondContact O-N 3.04Å; Q126-S130 PolarHBondContact O-OG 3.12Å; N127-S130 PolarHBondContact O-N 3.32Å; L128-S130 VanDerWaalsContact C-N 3.28Å; L128-S130 PolarHBondContact O-N 3.39Å |
| 131 | L | 58.9 | Low | 57.8 | Low | 114 Ų | 114 | 136.2 Ų | 136.2 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -75 | -33.9 | 176.9 | -116.9 | 105.9 | 0 | 0 | 0 | 113.8 | N127 L128 L133 L134 | N127-L131 PolarHBondContact O-N 2.81Å; N127-L131 VanDerWaalsContact O-N 3.1Å; L128-L131 PolarHBondContact O-N 3.42Å; L131-L133 VanDerWaalsContact C-N 3.26Å; L131-L133 PolarHBondContact O-N 3.02Å; L131-L134 PolarHBondContact O-N 3.46Å; L131-L134 VanDerWaalsContact O-N 3.15Å |
| 132 | K | 56.6 | Low | 56.4 | Low | 180 Ų | 180 | 137.4 Ų | 137.4 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.1 | -22.6 | -179.8 | -116.9 | 175.1 | -177.7 | 176.6 | 0 | 113.5 | L128 L134 | L128-K132 PolarHBondContact O-N 3.04Å; K132-L134 VanDerWaalsContact C-N 3.29Å |
| 133 | L | 58.5 | Low | 55.2 | Low | 135 Ų | 135 | 136.2 Ų | 136.2 | 71% | 0.707 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -16.7 | 172.9 | -83.9 | 159.2 | 0 | 0 | 0 | 113.1 | F129 L131 | F129-L133 HydrophobicContact CD1-CD1 4.4Å; F129-L133 HydrophobicContact CE1-CD1 4.26Å; L131-L133 VanDerWaalsContact C-N 3.26Å; L131-L133 PolarHBondContact O-N 3.02Å |
| 134 | L | 55.4 | Low | 54.1 | Low | 132 Ų | 132 | 135 Ų | 135 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -12 | -179.2 | -107.8 | 110.8 | 0 | 0 | 0 | 114.9 | L131 K132 | L131-L134 PolarHBondContact O-N 3.46Å; L131-L134 VanDerWaalsContact O-N 3.15Å; K132-L134 VanDerWaalsContact C-N 3.29Å |
| 135 | F | 50.6 | Low | 52.9 | Low | 168 Ų | 168 | 139 Ų | 139 | 74% | 0.737 | 72% | 0.718 | S | S | * | * | trans | -129.7 | 87.9 | -178.4 | -73.3 | -81.2 | 0 | 0 | 0 | 113 | ||||
| 136 | P | 46.5 | Very low | 51.8 | Low | 112 Ų | 112 | 138.8 Ų | 138.8 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -81.9 | 114.7 | 165.4 | 31.4 | -28 | 0 | 0 | 0 | 110.3 | ||||
| 137 | K | 43.9 | Very low | 50.7 | Low | 208 Ų | 208 | 140.8 Ų | 140.8 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | trans | 38 | 107.7 | 154.9 | -65.4 | -178.8 | 176 | 177.3 | 0 | 118 | ||||
| 138 | Q | 44.7 | Very low | 49.6 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | trans | -117.9 | 122.6 | 157.1 | -99.3 | -178 | -5.5 | 0 | 0 | 110.9 | ||||
| 139 | S | 43.2 | Very low | 49.2 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 56.7 | 110.9 | 142.9 | 41.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 140 | Y | 44 | Very low | 48.5 | Very low | 223 Ų | 223 | 144 Ų | 144 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | 72.9 | 109.2 | 87.3 | -82.4 | -75.8 | 0 | 0 | 0 | 114.1 | |||||
| 141 | F | 39.7 | Very low | 47.7 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -132.4 | 118.9 | 159.8 | -116.4 | -84.2 | 0 | 0 | 0 | 107.5 | ||||
| 142 | P | 42.2 | Very low | 47.7 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -102.9 | 134.3 | 171.2 | 34.8 | -24.6 | 0 | 0 | 0 | 110.7 | ||||
| 143 | A | 44.9 | Very low | 47.4 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | -138 | 90.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 144 | G | 45.1 | Very low | 47.2 | Very low | 68 Ų | 68 | 157.6 Ų | 157.6 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -89.5 | 139.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 145 | L | 47.3 | Very low | 46.8 | Very low | 159 Ų | 159 | 158.9 Ų | 158.9 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | 177.6 | 128.6 | 139.1 | -98.4 | 158.9 | 0 | 0 | 0 | 109.9 | ||||
| 146 | L | 47.3 | Very low | 46.6 | Very low | 159 Ų | 159 | 158.4 Ų | 158.4 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | 90 | 81.1 | 151.8 | -58.2 | 163.2 | 0 | 0 | 0 | 118.5 | ||||
| 147 | N | 44.7 | Very low | 46.6 | Very low | 156 Ų | 156 | 160.9 Ų | 160.9 | 83% | 0.834 | 85% | 0.846 | S | S | * | * | trans | -48.9 | 135.6 | 141 | -103.6 | -44 | 0 | 0 | 0 | 112.3 | ||||
| 148 | C | 40.8 | Very low | 46.7 | Very low | 135 Ų | 135 | 158.2 Ų | 158.2 | 91% | 0.912 | 84% | 0.842 | S | S | * | * | trans | -172.7 | 108.3 | 136.2 | -95.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 149 | K | 54.3 | Low | 46.9 | Very low | 195 Ų | 195 | 156.4 Ų | 156.4 | 85% | 0.848 | 84% | 0.841 | S | S | * | * | trans | -114.7 | 176.5 | 169.1 | -106 | -169.1 | -179.9 | -180 | 0 | 106.3 | ||||
| 150 | P | 49.2 | Very low | 47.1 | Very low | 98 Ų | 98 | 160.7 Ų | 160.7 | 64% | 0.636 | 85% | 0.853 | S | S | * | * | cis | -139.8 | -166.8 | -34.2 | 37.4 | -17.6 | 0 | 0 | 0 | 112.3 | ||||
| 151 | T | 44.2 | Very low | 47.3 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 75% | 0.748 | 85% | 0.852 | S | S | * | * | trans | 77.5 | 101.9 | 154.4 | 51.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 152 | E | 58.8 | Low | 47.9 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 94% | 0.944 | 85% | 0.847 | S | S | * | * | trans | -97.3 | 128.7 | 141.4 | -92.1 | -179.1 | 149.9 | 0 | 0 | 108.7 | ||||
| 153 | K | 50.7 | Low | 48.4 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 84% | 0.839 | 85% | 0.854 | S | S | * | * | trans | -116 | 126.6 | 159.7 | -81.2 | -177 | 176.1 | -179.8 | 0 | 106.3 | ||||
| 154 | H | 53.6 | Low | 48.7 | Very low | 267 Ų | 267 | 159.5 Ų | 159.5 | 100% | 1.236 | 85% | 0.851 | S | S | * | * | trans | -150.5 | 0 | 146.9 | -127 | -63.2 | 0 | 0 | 0 | 109.1 |
Retrieved 154 of 154 residues in 80.8 ms
(Link to these results)