| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.2 | Low | 77.7 | Confident | 241 Ų | 241 | 120.5 Ų | 120.5 | 100% | 1.187 | 62% | 0.62 | S | S | * | * | 0 | 110.5 | 0 | -68.7 | 160.6 | 175.8 | 0 | 0 | 106.6 | |||||
| 2 | K | 76.3 | Confident | 78.5 | Confident | 147 Ų | 147 | 115 Ų | 115 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 134 | 171 | 89.3 | 168.3 | -171.7 | 171.3 | 0 | 106.6 | L5 E8 | K2-L5 HydrophobicContact CD-CD1 4.29Å; K2-E8 IonicContact NZ-OE1 3.08Å; K2-E8 IonicContact NZ-OE2 3.68Å |
| 3 | P | 78.3 | Confident | 79.3 | Confident | 105 Ų | 105 | 111.6 Ų | 111.6 | 68% | 0.682 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.6 | 171.9 | 25.6 | -32.2 | 0 | 0 | 0 | 108.9 | L5 | P3-L5 PolarHBondContact O-N 2.89Š|
| 4 | P | 69.3 | Low | 79.9 | Confident | 45 Ų | 45 | 113.4 Ų | 113.4 | 29% | 0.292 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 137.9 | 176.2 | 25.3 | -33.3 | 0 | 0 | 0 | 109.4 | E8 W9 I12 | P4-E8 HydrophobicContact CB-CB 4.32Å; P4-W9 HydrophobicContact CG-CD2 4.35Å; P4-W9 HydrophobicContact CG-CH2 3.81Å; P4-W9 HydrophobicContact CG-CZ2 3.52Å; P4-W9 HydrophobicContact CG-CZ3 4.33Å; P4-I12 HydrophobicContact CB-CD1 3.63Å; P4-I12 HydrophobicContact CG-CD1 4.13Å |
| 5 | L | 76.9 | Confident | 80.5 | Confident | 87 Ų | 87 | 113.4 Ų | 113.4 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 151.9 | 173.1 | -85 | 72 | 0 | 0 | 0 | 108.6 | K2 P3 N7 E8 | K2-L5 HydrophobicContact CD-CD1 4.29Å; P3-L5 PolarHBondContact O-N 2.89Å; L5-N7 PolarHBondContact O-N 2.83Å; L5-E8 HydrophobicContact CB-CG 4.33Å; L5-E8 PolarHBondContact N-OE2 3.43Å; L5-E8 PolarHBondContact O-N 2.97Å |
| 6 | P | 76.6 | Confident | 81.1 | Confident | 114 Ų | 114 | 111.4 Ų | 111.4 | 74% | 0.74 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -26.3 | -179.6 | 18.7 | -30.9 | 0 | 0 | 0 | 113.8 | ||
| 7 | N | 83.7 | Confident | 81.6 | Confident | 139 Ų | 139 | 109.4 Ų | 109.4 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -15.8 | 176.6 | -169.2 | 47.8 | 0 | 0 | 0 | 114.6 | L5 | L5-N7 PolarHBondContact O-N 2.83Š|
| 8 | E | 84.4 | Confident | 82 | Confident | 78 Ų | 78 | 106.2 Ų | 106.2 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -19 | -179.7 | -64 | 175 | 139 | 0 | 0 | 112.1 | K2 P4 L5 K11 I12 | K2-E8 IonicContact NZ-OE1 3.08Å; K2-E8 IonicContact NZ-OE2 3.68Å; P4-E8 HydrophobicContact CB-CB 4.32Å; L5-E8 HydrophobicContact CB-CG 4.33Å; L5-E8 PolarHBondContact N-OE2 3.43Å; L5-E8 PolarHBondContact O-N 2.97Å; E8-K11 WeakPolarHBondContact O-CB 3.42Å; E8-K11 PolarHBondContact O-N 3.22Å; E8-I12 HydrophobicContact CB-CD1 4.36Å; E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 3.27Å |
| 9 | W | 84.8 | Confident | 82.1 | Confident | 140 Ų | 140 | 107.3 Ų | 107.3 | 53% | 0.53 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -53.4 | -47.6 | 177.5 | -76.6 | 123.3 | 0 | 0 | 0 | 115.8 | P4 K11 I12 V13 | P4-W9 HydrophobicContact CG-CD2 4.35Å; P4-W9 HydrophobicContact CG-CH2 3.81Å; P4-W9 HydrophobicContact CG-CZ2 3.52Å; P4-W9 HydrophobicContact CG-CZ3 4.33Å; W9-K11 PolarHBondContact O-N 3.2Å; W9-I12 HydrophobicContact CE3-CD1 4.19Å; W9-I12 PolarHBondContact O-N 3.02Å; W9-V13 VanDerWaalsContact O-CG2 3.31Å; W9-V13 WeakPolarHBondContact O-CG2 3.37Å; W9-V13 PolarHBondContact O-N 2.87Å |
| 10 | P | 87 | Confident | 82.4 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -32.7 | -179.8 | 23.9 | -34.3 | 0 | 0 | 0 | 112.1 | H14 | P10-H14 WeakPolarHBondContact O-CB 3.42Å; P10-H14 PolarHBondContact O-N 3.07Å |
| 11 | K | 86.9 | Confident | 82.6 | Confident | 142 Ų | 142 | 107.6 Ų | 107.6 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -46 | 176.4 | -168.6 | 179.7 | 178.9 | -173.6 | 0 | 111.3 | E8 W9 V13 H14 E15 | E8-K11 WeakPolarHBondContact O-CB 3.42Å; E8-K11 PolarHBondContact O-N 3.22Å; W9-K11 PolarHBondContact O-N 3.2Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-V13 PolarHBondContact O-N 3.43Å; K11-H14 PolarHBondContact O-N 2.94Å; K11-E15 WeakPolarHBondContact CE-OE1 3.45Å; K11-E15 WeakPolarHBondContact O-CG 3.31Å; K11-E15 PolarHBondContact O-N 3.18Å |
| 12 | I | 87.4 | Confident | 84.4 | Confident | 54 Ų | 54 | 99.7 Ų | 99.7 | 28% | 0.277 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.4 | -64.8 | 161.8 | 0 | 0 | 0 | 110.8 | P4 E8 W9 H14 E15 I16 | P4-I12 HydrophobicContact CB-CD1 3.63Å; P4-I12 HydrophobicContact CG-CD1 4.13Å; E8-I12 HydrophobicContact CB-CD1 4.36Å; E8-I12 WeakPolarHBondContact O-CG1 3.37Å; E8-I12 PolarHBondContact O-N 3.27Å; W9-I12 HydrophobicContact CE3-CD1 4.19Å; W9-I12 PolarHBondContact O-N 3.02Å; I12-H14 VanDerWaalsContact C-N 3.34Å; I12-H14 PolarHBondContact O-N 3.31Å; I12-E15 PolarHBondContact O-N 2.91Å; I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.41Å; I12-I16 VanDerWaalsContact O-CG1 3.24Å; I12-I16 WeakPolarHBondContact O-CG1 3.38Å; I12-I16 PolarHBondContact O-N 2.91Å |
| 13 | V | 89 | Confident | 84.9 | Confident | 71 Ų | 71 | 97.7 Ų | 97.7 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | W9 K11 I16 N17 | W9-V13 VanDerWaalsContact O-CG2 3.31Å; W9-V13 WeakPolarHBondContact O-CG2 3.37Å; W9-V13 PolarHBondContact O-N 2.87Å; K11-V13 VanDerWaalsContact C-N 3.33Å; K11-V13 PolarHBondContact O-N 3.43Å; V13-I16 PolarHBondContact O-N 3.49Å; V13-N17 WeakPolarHBondContact O-CB 3.24Å; V13-N17 VanDerWaalsContact O-CG 3.3Å; V13-N17 PolarHBondContact O-N 3.41Å; V13-N17 PolarHBondContact O-ND2 2.93Å |
| 14 | H | 87.4 | Confident | 85.5 | Confident | 136 Ų | 136 | 97.1 Ų | 97.1 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.8 | -44.5 | 175.4 | -176.4 | 73.5 | 0 | 0 | 0 | 111.9 | P10 K11 I12 N17 A18 | P10-H14 WeakPolarHBondContact O-CB 3.42Å; P10-H14 PolarHBondContact O-N 3.07Å; K11-H14 PolarHBondContact O-N 2.94Å; I12-H14 VanDerWaalsContact C-N 3.34Å; I12-H14 PolarHBondContact O-N 3.31Å; H14-N17 PolarHBondContact O-N 3.4Å; H14-A18 WeakPolarHBondContact O-CB 3.5Å; H14-A18 PolarHBondContact O-N 2.91Å |
| 15 | E | 89.2 | Confident | 86.4 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.5 | -71.3 | 177.3 | -154.8 | 0 | 0 | 111.9 | K11 I12 N17 A18 F19 | K11-E15 WeakPolarHBondContact CE-OE1 3.45Å; K11-E15 WeakPolarHBondContact O-CG 3.31Å; K11-E15 PolarHBondContact O-N 3.18Å; I12-E15 PolarHBondContact O-N 2.91Å; E15-N17 PolarHBondContact O-N 3.42Å; E15-A18 PolarHBondContact O-N 3.06Å; E15-F19 WeakPolarHBondContact O-CB 3.35Å; E15-F19 PolarHBondContact O-N 3.46Å |
| 16 | I | 90.6 | Very high | 87.1 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -42.7 | 175.9 | -67.9 | 164.9 | 0 | 0 | 0 | 110.9 | I12 V13 F19 K20 | I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.41Å; I12-I16 VanDerWaalsContact O-CG1 3.24Å; I12-I16 WeakPolarHBondContact O-CG1 3.38Å; I12-I16 PolarHBondContact O-N 2.91Å; V13-I16 PolarHBondContact O-N 3.49Å; I16-F19 PolarHBondContact O-N 3.31Å; I16-K20 HydrophobicContact CG2-CD 4.15Å; I16-K20 HydrophobicContact CG2-CG 4.36Å; I16-K20 WeakPolarHBondContact O-CB 3.44Å; I16-K20 VanDerWaalsContact O-CG 3.29Å; I16-K20 WeakPolarHBondContact O-CG 3.41Å; I16-K20 PolarHBondContact O-N 2.97Å |
| 17 | N | 89.2 | Confident | 87.9 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 179.2 | -74.1 | -25.3 | 0 | 0 | 0 | 111.8 | V13 H14 E15 F19 K20 N21 | V13-N17 WeakPolarHBondContact O-CB 3.24Å; V13-N17 VanDerWaalsContact O-CG 3.3Å; V13-N17 PolarHBondContact O-N 3.41Å; V13-N17 PolarHBondContact O-ND2 2.93Å; H14-N17 PolarHBondContact O-N 3.4Å; E15-N17 PolarHBondContact O-N 3.42Å; N17-F19 VanDerWaalsContact C-N 3.32Å; N17-F19 PolarHBondContact O-N 3.32Å; N17-K20 PolarHBondContact O-N 3.48Å; N17-N21 WeakPolarHBondContact O-CB 3.24Å; N17-N21 PolarHBondContact O-N 3.09Å; N17-N21 PolarHBondContact O-ND2 3.29Å |
| 18 | A | 88.5 | Confident | 88.3 | Confident | 52 Ų | 52 | 96.1 Ų | 96.1 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H14 E15 N21 S22 | H14-A18 WeakPolarHBondContact O-CB 3.5Å; H14-A18 PolarHBondContact O-N 2.91Å; E15-A18 PolarHBondContact O-N 3.06Å; A18-N21 PolarHBondContact O-N 3.12Å; A18-S22 PolarHBondContact O-N 2.92Å; A18-S22 VanDerWaalsContact O-N 3.09Å |
| 19 | F | 85.3 | Confident | 88.7 | Confident | 128 Ų | 128 | 100 Ų | 100 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | 174.7 | -169.7 | -96.9 | 0 | 0 | 0 | 111.3 | E15 I16 N17 N21 S22 F23 | E15-F19 WeakPolarHBondContact O-CB 3.35Å; E15-F19 PolarHBondContact O-N 3.46Å; I16-F19 PolarHBondContact O-N 3.31Å; N17-F19 VanDerWaalsContact C-N 3.32Å; N17-F19 PolarHBondContact O-N 3.32Å; F19-N21 VanDerWaalsContact C-N 3.3Å; F19-N21 PolarHBondContact O-N 3.45Å; F19-S22 PolarHBondContact O-N 3.44Å; F19-S22 VanDerWaalsContact O-N 3.12Å; F19-F23 AromaticContact CD1-CD2 3.62Å; F19-F23 HydrophobicContact CD1-CD2 3.62Å; F19-F23 AromaticContact CD1-CE2 3.64Å; F19-F23 HydrophobicContact CD1-CE2 3.64Å; F19-F23 HydrophobicContact CD1-CG 4.49Å; F19-F23 HydrophobicContact CD1-CZ 4.47Å; F19-F23 HydrophobicContact CD2-CD2 4.2Å; F19-F23 AromaticContact CD2-CE2 3.69Å; F19-F23 HydrophobicContact CD2-CE2 3.69Å; F19-F23 AromaticContact CE1-CD2 3.51Å; F19-F23 HydrophobicContact CE1-CD2 3.51Å; F19-F23 HydrophobicContact CE1-CE1 4.31Å; F19-F23 AromaticContact CE1-CE2 3.14Å; F19-F23 HydrophobicContact CE1-CE2 3.14Å; F19-F23 HydrophobicContact CE1-CG 4.27Å; F19-F23 AromaticContact CE1-CZ 3.56Å; F19-F23 HydrophobicContact CE1-CZ 3.56Å; F19-F23 HydrophobicContact CE2-CD2 4.12Å; F19-F23 AromaticContact CE2-CE2 3.21Å; F19-F23 HydrophobicContact CE2-CE2 3.21Å; F19-F23 AromaticContact CE2-CZ 3.83Å; F19-F23 HydrophobicContact CE2-CZ 3.83Å; F19-F23 AromaticContact CG-CD2 4Å; F19-F23 HydrophobicContact CG-CD2 4Å; F19-F23 AromaticContact CG-CE2 3.92Å; F19-F23 HydrophobicContact CG-CE2 3.92Å; F19-F23 AromaticContact CZ-CD2 3.8Å; F19-F23 HydrophobicContact CZ-CD2 3.8Å; F19-F23 HydrophobicContact CZ-CE1 4.28Å; F19-F23 AromaticContact CZ-CE2 2.93Å; F19-F23 HydrophobicContact CZ-CE2 2.93Å; F19-F23 AromaticContact CZ-CZ 3.2Å; F19-F23 HydrophobicContact CZ-CZ 3.2Å; F19-F23 VanDerWaalsContact O-CD2 3.24Å; F19-F23 WeakPolarHBondContact O-CD2 3.17Å; F19-F23 PolarHBondContact O-N 3.49Å |
| 20 | K | 87.1 | Confident | 89.1 | Confident | 116 Ų | 116 | 95.9 Ų | 95.9 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.1 | -44.5 | 177.3 | -78.1 | -179.3 | 174 | -163.5 | 0 | 112.4 | I16 N17 F23 N24 | I16-K20 HydrophobicContact CG2-CD 4.15Å; I16-K20 HydrophobicContact CG2-CG 4.36Å; I16-K20 WeakPolarHBondContact O-CB 3.44Å; I16-K20 VanDerWaalsContact O-CG 3.29Å; I16-K20 WeakPolarHBondContact O-CG 3.41Å; I16-K20 PolarHBondContact O-N 2.97Å; N17-K20 PolarHBondContact O-N 3.48Å; K20-F23 PolarHBondContact O-N 3.31Å; K20-N24 WeakPolarHBondContact O-CB 3.48Å; K20-N24 PolarHBondContact O-N 2.9Å; K20-N24 PolarHBondContact O-ND2 3.41Å |
| 21 | N | 86.4 | Confident | 89.5 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 179 | -70.4 | -13.3 | 0 | 0 | 0 | 111.6 | N17 A18 F19 F23 N24 E25 | N17-N21 WeakPolarHBondContact O-CB 3.24Å; N17-N21 PolarHBondContact O-N 3.09Å; N17-N21 PolarHBondContact O-ND2 3.29Å; A18-N21 PolarHBondContact O-N 3.12Å; F19-N21 VanDerWaalsContact C-N 3.3Å; F19-N21 PolarHBondContact O-N 3.45Å; N21-F23 PolarHBondContact O-N 2.83Å; N21-N24 PolarHBondContact O-N 3.41Å; N21-E25 WeakPolarHBondContact O-CB 3.37Å; N21-E25 PolarHBondContact O-N 2.98Å |
| 22 | S | 87.2 | Confident | 89.9 | Confident | 74 Ų | 74 | 92 Ų | 92 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 176 | -176 | 0 | 0 | 0 | 0 | 112.7 | A18 F19 A26 | A18-S22 PolarHBondContact O-N 2.92Å; A18-S22 VanDerWaalsContact O-N 3.09Å; F19-S22 PolarHBondContact O-N 3.44Å; F19-S22 VanDerWaalsContact O-N 3.12Å; S22-A26 WeakPolarHBondContact O-CB 3.29Å; S22-A26 PolarHBondContact O-N 3.36Å |
| 23 | F | 88.7 | Confident | 90.2 | Very high | 105 Ų | 105 | 91.3 Ų | 91.3 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 176.4 | -86.4 | -101.8 | 0 | 0 | 0 | 112.8 | F19 K20 N21 E25 A26 I27 | F19-F23 AromaticContact CD1-CD2 3.62Å; F19-F23 HydrophobicContact CD1-CD2 3.62Å; F19-F23 AromaticContact CD1-CE2 3.64Å; F19-F23 HydrophobicContact CD1-CE2 3.64Å; F19-F23 HydrophobicContact CD1-CG 4.49Å; F19-F23 HydrophobicContact CD1-CZ 4.47Å; F19-F23 HydrophobicContact CD2-CD2 4.2Å; F19-F23 AromaticContact CD2-CE2 3.69Å; F19-F23 HydrophobicContact CD2-CE2 3.69Å; F19-F23 AromaticContact CE1-CD2 3.51Å; F19-F23 HydrophobicContact CE1-CD2 3.51Å; F19-F23 HydrophobicContact CE1-CE1 4.31Å; F19-F23 AromaticContact CE1-CE2 3.14Å; F19-F23 HydrophobicContact CE1-CE2 3.14Å; F19-F23 HydrophobicContact CE1-CG 4.27Å; F19-F23 AromaticContact CE1-CZ 3.56Å; F19-F23 HydrophobicContact CE1-CZ 3.56Å; F19-F23 HydrophobicContact CE2-CD2 4.12Å; F19-F23 AromaticContact CE2-CE2 3.21Å; F19-F23 HydrophobicContact CE2-CE2 3.21Å; F19-F23 AromaticContact CE2-CZ 3.83Å; F19-F23 HydrophobicContact CE2-CZ 3.83Å; F19-F23 AromaticContact CG-CD2 4Å; F19-F23 HydrophobicContact CG-CD2 4Å; F19-F23 AromaticContact CG-CE2 3.92Å; F19-F23 HydrophobicContact CG-CE2 3.92Å; F19-F23 AromaticContact CZ-CD2 3.8Å; F19-F23 HydrophobicContact CZ-CD2 3.8Å; F19-F23 HydrophobicContact CZ-CE1 4.28Å; F19-F23 AromaticContact CZ-CE2 2.93Å; F19-F23 HydrophobicContact CZ-CE2 2.93Å; F19-F23 AromaticContact CZ-CZ 3.2Å; F19-F23 HydrophobicContact CZ-CZ 3.2Å; F19-F23 VanDerWaalsContact O-CD2 3.24Å; F19-F23 WeakPolarHBondContact O-CD2 3.17Å; F19-F23 PolarHBondContact O-N 3.49Å; K20-F23 PolarHBondContact O-N 3.31Å; N21-F23 PolarHBondContact O-N 2.83Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.28Å; F23-A26 PolarHBondContact O-N 3.45Å; F23-I27 VanDerWaalsContact O-CG1 3.31Å; F23-I27 WeakPolarHBondContact O-CG1 3.42Å; F23-I27 PolarHBondContact O-N 3.18Å |
| 24 | N | 89.1 | Confident | 90.5 | Very high | 94 Ų | 94 | 91.8 Ų | 91.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.9 | -70.7 | -25.3 | 0 | 0 | 0 | 110.6 | K20 N21 I27 V28 | K20-N24 WeakPolarHBondContact O-CB 3.48Å; K20-N24 PolarHBondContact O-N 2.9Å; K20-N24 PolarHBondContact O-ND2 3.41Å; N21-N24 PolarHBondContact O-N 3.41Å; N24-I27 PolarHBondContact O-N 3.38Å; N24-V28 WeakPolarHBondContact O-CG2 3.28Å; N24-V28 PolarHBondContact O-N 3.41Å |
| 25 | E | 89.5 | Confident | 90.9 | Very high | 112 Ų | 112 | 91.9 Ų | 91.9 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 176.1 | -176.9 | 170.1 | -179.5 | 0 | 0 | 112 | N21 F23 I27 V28 Y29 | N21-E25 WeakPolarHBondContact O-CB 3.37Å; N21-E25 PolarHBondContact O-N 2.98Å; F23-E25 VanDerWaalsContact C-N 3.29Å; F23-E25 PolarHBondContact O-N 3.28Å; E25-I27 PolarHBondContact O-N 2.91Å; E25-V28 PolarHBondContact O-N 3.3Å; E25-Y29 HydrophobicContact CG-CD2 3.96Å; E25-Y29 HydrophobicContact CG-CE2 3.45Å; E25-Y29 VanDerWaalsContact CG-CE2 3.45Å; E25-Y29 WeakPolarHBondContact O-CD2 3.26Å; E25-Y29 PolarHBondContact O-N 3.22Å |
| 26 | A | 90.9 | Very high | 91.2 | Very high | 55 Ų | 55 | 90.1 Ų | 90.1 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S22 F23 V28 Y29 A30 | S22-A26 WeakPolarHBondContact O-CB 3.29Å; S22-A26 PolarHBondContact O-N 3.36Å; F23-A26 PolarHBondContact O-N 3.45Å; A26-V28 VanDerWaalsContact C-N 3.35Å; A26-Y29 PolarHBondContact O-N 3.03Å; A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.31Å; A26-A30 PolarHBondContact O-N 3.24Å |
| 27 | I | 93.7 | Very high | 91.3 | Very high | 106 Ų | 106 | 90.8 Ų | 90.8 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 178.9 | -69.9 | 165.6 | 0 | 0 | 0 | 111.1 | F23 N24 E25 A30 S31 | F23-I27 VanDerWaalsContact O-CG1 3.31Å; F23-I27 WeakPolarHBondContact O-CG1 3.42Å; F23-I27 PolarHBondContact O-N 3.18Å; N24-I27 PolarHBondContact O-N 3.38Å; E25-I27 PolarHBondContact O-N 2.91Å; I27-A30 PolarHBondContact O-N 3.48Å; I27-S31 WeakPolarHBondContact O-CB 3.42Å; I27-S31 PolarHBondContact O-N 2.82Å; I27-S31 PolarHBondContact O-OG 2.83Å |
| 28 | V | 92.9 | Very high | 91.4 | Very high | 90 Ų | 90 | 92.1 Ų | 92.1 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.4 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | N24 E25 A26 S31 | N24-V28 WeakPolarHBondContact O-CG2 3.28Å; N24-V28 PolarHBondContact O-N 3.41Å; E25-V28 PolarHBondContact O-N 3.3Å; A26-V28 VanDerWaalsContact C-N 3.35Å; V28-S31 PolarHBondContact O-OG 3.23Å |
| 29 | Y | 92 | Very high | 91.5 | Very high | 161 Ų | 161 | 99.5 Ų | 99.5 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.4 | -39 | 174.6 | -68.6 | -59.9 | 0 | 0 | 0 | 112.2 | E25 A26 S31 V32 G33 | E25-Y29 HydrophobicContact CG-CD2 3.96Å; E25-Y29 HydrophobicContact CG-CE2 3.45Å; E25-Y29 VanDerWaalsContact CG-CE2 3.45Å; E25-Y29 WeakPolarHBondContact O-CD2 3.26Å; E25-Y29 PolarHBondContact O-N 3.22Å; A26-Y29 PolarHBondContact O-N 3.03Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; Y29-S31 PolarHBondContact O-N 3.32Å; Y29-V32 PolarHBondContact O-N 3.25Å; Y29-G33 PolarHBondContact O-N 3.13Å |
| 30 | A | 93.7 | Very high | 91.7 | Very high | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | A26 I27 V32 G33 V34 | A26-A30 VanDerWaalsContact O-CB 3.28Å; A26-A30 WeakPolarHBondContact O-CB 3.31Å; A26-A30 PolarHBondContact O-N 3.24Å; I27-A30 PolarHBondContact O-N 3.48Å; A30-V32 PolarHBondContact O-N 2.82Å; A30-G33 PolarHBondContact O-N 3.3Å; A30-V34 WeakPolarHBondContact O-CB 3.41Å; A30-V34 VanDerWaalsContact O-CG2 3.26Å; A30-V34 WeakPolarHBondContact O-CG2 3.47Å; A30-V34 PolarHBondContact O-N 3.45Å |
| 31 | S | 95 | Very high | 91.6 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | -179.5 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | I27 V28 Y29 V34 E35 | I27-S31 WeakPolarHBondContact O-CB 3.42Å; I27-S31 PolarHBondContact O-N 2.82Å; I27-S31 PolarHBondContact O-OG 2.83Å; V28-S31 PolarHBondContact O-OG 3.23Å; Y29-S31 VanDerWaalsContact C-N 3.34Å; Y29-S31 PolarHBondContact O-N 3.32Å; S31-V34 PolarHBondContact O-N 3.5Å; S31-E35 WeakPolarHBondContact O-CB 3.36Å; S31-E35 PolarHBondContact O-N 3.07Å |
| 32 | V | 95.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 97.1 Ų | 97.1 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | Y29 A30 E35 V36 | Y29-V32 PolarHBondContact O-N 3.25Å; A30-V32 PolarHBondContact O-N 2.82Å; V32-E35 PolarHBondContact O-N 3.49Å; V32-V36 WeakPolarHBondContact O-CG2 3.35Å; V32-V36 PolarHBondContact O-N 3.4Å; V32-V36 VanDerWaalsContact O-N 3.13Å |
| 33 | G | 94.3 | Very high | 91.5 | Very high | 40 Ų | 40 | 95.4 Ų | 95.4 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y29 A30 E35 V36 V37 | Y29-G33 PolarHBondContact O-N 3.13Å; A30-G33 PolarHBondContact O-N 3.3Å; G33-E35 VanDerWaalsContact C-N 3.33Å; G33-E35 PolarHBondContact O-N 2.94Å; G33-V36 PolarHBondContact O-N 3.18Å; G33-V37 WeakPolarHBondContact O-CG2 3.38Å; G33-V37 PolarHBondContact O-N 2.87Å |
| 34 | V | 95.3 | Very high | 91.2 | Very high | 82 Ų | 82 | 95.3 Ų | 95.3 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | A30 S31 V36 V37 L38 | A30-V34 WeakPolarHBondContact O-CB 3.41Å; A30-V34 VanDerWaalsContact O-CG2 3.26Å; A30-V34 WeakPolarHBondContact O-CG2 3.47Å; A30-V34 PolarHBondContact O-N 3.45Å; S31-V34 PolarHBondContact O-N 3.5Å; V34-V36 PolarHBondContact O-N 3.48Å; V34-V37 PolarHBondContact O-N 2.8Å; V34-L38 HydrophobicContact CG1-CD1 3.77Å; V34-L38 HydrophobicContact CG1-CG 4.08Å; V34-L38 WeakPolarHBondContact O-CB 3.47Å; V34-L38 VanDerWaalsContact O-CG 3.24Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 3.25Å |
| 35 | E | 94.9 | Very high | 90.6 | Very high | 137 Ų | 137 | 92.7 Ų | 92.7 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 177.5 | -175.4 | 169.9 | -160.5 | 0 | 0 | 111.9 | S31 V32 G33 V37 L38 W39 | S31-E35 WeakPolarHBondContact O-CB 3.36Å; S31-E35 PolarHBondContact O-N 3.07Å; V32-E35 PolarHBondContact O-N 3.49Å; G33-E35 VanDerWaalsContact C-N 3.33Å; G33-E35 PolarHBondContact O-N 2.94Å; E35-V37 PolarHBondContact O-N 3.41Å; E35-L38 PolarHBondContact O-N 2.82Å; E35-W39 WeakPolarHBondContact O-CB 3.48Å; E35-W39 PolarHBondContact O-N 3.48Å |
| 36 | V | 95.2 | Very high | 90.2 | Very high | 78 Ų | 78 | 94.7 Ų | 94.7 | 47% | 0.473 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.2 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | V32 G33 V34 L38 W39 F40 | V32-V36 WeakPolarHBondContact O-CG2 3.35Å; V32-V36 PolarHBondContact O-N 3.4Å; V32-V36 VanDerWaalsContact O-N 3.13Å; G33-V36 PolarHBondContact O-N 3.18Å; V34-V36 PolarHBondContact O-N 3.48Å; V36-L38 VanDerWaalsContact C-N 3.35Å; V36-L38 PolarHBondContact O-N 3.47Å; V36-W39 WeakPolarHBondContact O-CB 3.43Å; V36-W39 PolarHBondContact O-N 3.38Å; V36-F40 HydrophobicContact CG1-CD2 3.9Å; V36-F40 HydrophobicContact CG1-CE2 3.85Å; V36-F40 WeakPolarHBondContact O-CD2 3.43Å; V36-F40 PolarHBondContact O-N 3.49Å |
| 37 | V | 93 | Very high | 89.4 | Confident | 96 Ų | 96 | 95 Ų | 95 | 58% | 0.582 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | G33 V34 E35 W39 F40 F41 | G33-V37 WeakPolarHBondContact O-CG2 3.38Å; G33-V37 PolarHBondContact O-N 2.87Å; V34-V37 PolarHBondContact O-N 2.8Å; E35-V37 PolarHBondContact O-N 3.41Å; V37-W39 VanDerWaalsContact C-N 3.3Å; V37-W39 PolarHBondContact O-N 3.32Å; V37-F40 WeakPolarHBondContact O-CB 3.49Å; V37-F40 PolarHBondContact O-N 2.89Å; V37-F41 WeakPolarHBondContact O-CB 3.24Å; V37-F41 PolarHBondContact O-N 2.88Å |
| 38 | L | 91.6 | Very high | 88.2 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 175.1 | -73.3 | 173.1 | 0 | 0 | 0 | 111.3 | V34 E35 V36 F41 A42 | V34-L38 HydrophobicContact CG1-CD1 3.77Å; V34-L38 HydrophobicContact CG1-CG 4.08Å; V34-L38 WeakPolarHBondContact O-CB 3.47Å; V34-L38 VanDerWaalsContact O-CG 3.24Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 3.25Å; E35-L38 PolarHBondContact O-N 2.82Å; V36-L38 VanDerWaalsContact C-N 3.35Å; V36-L38 PolarHBondContact O-N 3.47Å; L38-F41 PolarHBondContact O-N 2.78Å; L38-A42 VanDerWaalsContact O-CB 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.46Å; L38-A42 PolarHBondContact O-N 3.2Å |
| 39 | W | 91.4 | Very high | 86.8 | Confident | 207 Ų | 207 | 104.2 Ų | 104.2 | 78% | 0.784 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 174.3 | -165.5 | -103.2 | 0 | 0 | 0 | 112.2 | E35 V36 V37 F41 A42 G43 | E35-W39 WeakPolarHBondContact O-CB 3.48Å; E35-W39 PolarHBondContact O-N 3.48Å; V36-W39 WeakPolarHBondContact O-CB 3.43Å; V36-W39 PolarHBondContact O-N 3.38Å; V37-W39 VanDerWaalsContact C-N 3.3Å; V37-W39 PolarHBondContact O-N 3.32Å; W39-F41 VanDerWaalsContact C-N 3.32Å; W39-F41 PolarHBondContact O-N 3.32Å; W39-A42 PolarHBondContact O-N 2.87Å; W39-G43 PolarHBondContact O-N 3.3Å |
| 40 | F | 88 | Confident | 85.2 | Confident | 149 Ų | 149 | 102.4 Ų | 102.4 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 171 | -90.2 | -77.4 | 0 | 0 | 0 | 111.8 | V36 V37 G43 E44 | V36-F40 HydrophobicContact CG1-CD2 3.9Å; V36-F40 HydrophobicContact CG1-CE2 3.85Å; V36-F40 WeakPolarHBondContact O-CD2 3.43Å; V36-F40 PolarHBondContact O-N 3.49Å; V37-F40 WeakPolarHBondContact O-CB 3.49Å; V37-F40 PolarHBondContact O-N 2.89Å; F40-G43 CarbonylContact O-C 3.56Å; F40-G43 WeakPolarHBondContact O-CA 3.32Å; F40-G43 PolarHBondContact O-N 3.39Å; F40-E44 PolarHBondContact O-N 3.47Å |
| 41 | F | 85.2 | Confident | 83.4 | Confident | 101 Ų | 101 | 102.3 Ų | 102.3 | 44% | 0.443 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 179 | -166.8 | -105.9 | 0 | 0 | 0 | 111.8 | V37 L38 W39 G43 E44 V45 L51 | V37-F41 WeakPolarHBondContact O-CB 3.24Å; V37-F41 PolarHBondContact O-N 2.88Å; L38-F41 PolarHBondContact O-N 2.78Å; W39-F41 VanDerWaalsContact C-N 3.32Å; W39-F41 PolarHBondContact O-N 3.32Å; F41-G43 VanDerWaalsContact C-N 3.26Å; F41-G43 PolarHBondContact O-N 2.75Å; F41-E44 PolarHBondContact O-N 3.49Å; F41-V45 HydrophobicContact CD1-CG2 3.98Å; F41-V45 HydrophobicContact CE1-CG2 3.97Å; F41-V45 WeakPolarHBondContact O-CB 3.43Å; F41-V45 WeakPolarHBondContact O-CG2 3.1Å; F41-V45 PolarHBondContact O-N 2.93Å; F41-L51 HydrophobicContact CE1-CD2 3.6Å; F41-L51 HydrophobicContact CE2-CD2 3.85Å; F41-L51 HydrophobicContact CZ-CD2 3.19Å |
| 42 | A | 86.3 | Confident | 81.3 | Confident | 49 Ų | 49 | 106.2 Ų | 106.2 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.6 | -39.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L38 W39 V45 I46 | L38-A42 VanDerWaalsContact O-CB 3.32Å; L38-A42 WeakPolarHBondContact O-CB 3.46Å; L38-A42 PolarHBondContact O-N 3.2Å; W39-A42 PolarHBondContact O-N 2.87Å; A42-V45 PolarHBondContact O-N 3.08Å; A42-I46 WeakPolarHBondContact O-CB 3.15Å; A42-I46 PolarHBondContact O-N 3.34Å |
| 43 | G | 86.2 | Confident | 79.1 | Confident | 37 Ų | 37 | 105.4 Ų | 105.4 | 38% | 0.381 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.3 | -46.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | W39 F40 F41 V45 I46 G47 | W39-G43 PolarHBondContact O-N 3.3Å; F40-G43 CarbonylContact O-C 3.56Å; F40-G43 WeakPolarHBondContact O-CA 3.32Å; F40-G43 PolarHBondContact O-N 3.39Å; F41-G43 VanDerWaalsContact C-N 3.26Å; F41-G43 PolarHBondContact O-N 2.75Å; G43-V45 VanDerWaalsContact C-N 3.35Å; G43-V45 PolarHBondContact O-N 3.22Å; G43-I46 PolarHBondContact O-N 2.88Å; G43-G47 PolarHBondContact O-N 3.41Å |
| 44 | E | 81.9 | Confident | 77.1 | Confident | 103 Ų | 103 | 112.7 Ų | 112.7 | 48% | 0.481 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -40.6 | 174.8 | -80.8 | -70 | 109.3 | 0 | 0 | 111.5 | F40 F41 G47 R48 | F40-E44 PolarHBondContact O-N 3.47Å; F41-E44 PolarHBondContact O-N 3.49Å; E44-G47 PolarHBondContact O-N 3.44Å; E44-R48 WeakPolarHBondContact O-CB 3.4Å; E44-R48 PolarHBondContact O-N 2.85Å; E44-R48 IonicContact OE2-CZ 3.96Å; E44-R48 IonicContact OE2-NE 3.34Å; E44-R48 PolarHBondContact OE2-NE 3.41Å; E44-R48 IonicContact OE2-NH2 3.98Å; E44-R48 PolarHBondContact OE2-NH2 2.99Å; E44-R48 VanDerWaalsContact OE2-NH2 3.08Å |
| 45 | V | 77.6 | Confident | 74.9 | Confident | 40 Ų | 40 | 117.9 Ų | 117.9 | 24% | 0.242 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -62.2 | -47.8 | 177 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | F41 A42 G43 R49 L51 | F41-V45 HydrophobicContact CD1-CG2 3.98Å; F41-V45 HydrophobicContact CE1-CG2 3.97Å; F41-V45 WeakPolarHBondContact O-CB 3.43Å; F41-V45 WeakPolarHBondContact O-CG2 3.1Å; F41-V45 PolarHBondContact O-N 2.93Å; A42-V45 PolarHBondContact O-N 3.08Å; G43-V45 VanDerWaalsContact C-N 3.35Å; G43-V45 PolarHBondContact O-N 3.22Å; V45-R49 WeakPolarHBondContact O-CA 3.47Å; V45-R49 PolarHBondContact O-N 3.04Å; V45-L51 HydrophobicContact CG2-CD1 4.01Å; V45-L51 HydrophobicContact CG2-CD2 3.3Å; V45-L51 HydrophobicContact CG2-CG 3.75Å |
| 46 | I | 80.7 | Confident | 72.9 | Confident | 153 Ų | 153 | 115 Ų | 115 | 79% | 0.785 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.3 | -34.6 | -178 | -137.4 | 155.3 | 0 | 0 | 0 | 111.4 | A42 G43 | A42-I46 WeakPolarHBondContact O-CB 3.15Å; A42-I46 PolarHBondContact O-N 3.34Å; G43-I46 PolarHBondContact O-N 2.88Å |
| 47 | G | 74.4 | Confident | 70.7 | Confident | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.7 | -40.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G43 E44 | G43-G47 PolarHBondContact O-N 3.41Å; E44-G47 PolarHBondContact O-N 3.44Å |
| 48 | R | 68.6 | Low | 68.5 | Low | 175 Ų | 175 | 120.7 Ų | 120.7 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -107.7 | -10.5 | -173.7 | -69.1 | -143.9 | -84.9 | 168.4 | -8.4 | 115.8 | E44 H50 | E44-R48 WeakPolarHBondContact O-CB 3.4Å; E44-R48 PolarHBondContact O-N 2.85Å; E44-R48 IonicContact OE2-CZ 3.96Å; E44-R48 IonicContact OE2-NE 3.34Å; E44-R48 PolarHBondContact OE2-NE 3.41Å; E44-R48 IonicContact OE2-NH2 3.98Å; E44-R48 PolarHBondContact OE2-NH2 2.99Å; E44-R48 VanDerWaalsContact OE2-NH2 3.08Å; R48-H50 PolarHBondContact O-N 2.81Å |
| 49 | R | 62.3 | Low | 66.7 | Low | 214 Ų | 214 | 122.4 Ų | 122.4 | 81% | 0.808 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 43.7 | 18.3 | 178.8 | -146.2 | 175.7 | -170.6 | 155.2 | 4.4 | 115.4 | V45 | V45-R49 WeakPolarHBondContact O-CA 3.47Å; V45-R49 PolarHBondContact O-N 3.04Å |
| 50 | H | 57.5 | Low | 64.3 | Low | 123 Ų | 123 | 117.4 Ų | 117.4 | 57% | 0.569 | 60% | 0.602 | S | S | * | * | trans | -136 | 87.8 | 179.6 | -88.3 | -78.7 | 0 | 0 | 0 | 106.1 | R48 L52 | R48-H50 PolarHBondContact O-N 2.81Å; H50-L52 VanDerWaalsContact C-N 3.33Å; H50-L52 PolarHBondContact O-N 2.78Å | ||
| 51 | L | 56 | Low | 62.1 | Low | 51 Ų | 51 | 114.7 Ų | 114.7 | 27% | 0.267 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -65.9 | 99.1 | 163 | -80.7 | 175.8 | 0 | 0 | 0 | 107.5 | F41 V45 G53 Y54 V56 | F41-L51 HydrophobicContact CE1-CD2 3.6Å; F41-L51 HydrophobicContact CE2-CD2 3.85Å; F41-L51 HydrophobicContact CZ-CD2 3.19Å; V45-L51 HydrophobicContact CG2-CD1 4.01Å; V45-L51 HydrophobicContact CG2-CD2 3.3Å; V45-L51 HydrophobicContact CG2-CG 3.75Å; L51-G53 PolarHBondContact O-N 3.48Å; L51-Y54 PolarHBondContact O-N 3Å; L51-Y54 VanDerWaalsContact O-N 3.12Å; L51-V56 HydrophobicContact CD1-CG2 4.4Å |
| 52 | L | 52.6 | Low | 60.4 | Low | 146 Ų | 146 | 118 Ų | 118 | 76% | 0.764 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41 | 58.2 | 161.6 | -77 | 156.8 | 0 | 0 | 0 | 113.8 | H50 Y54 | H50-L52 VanDerWaalsContact C-N 3.33Å; H50-L52 PolarHBondContact O-N 2.78Å; L52-Y54 WeakPolarHBondContact O-CD2 3.4Å; L52-Y54 PolarHBondContact O-N 3.12Å |
| 53 | G | 47.9 | Very low | 58.7 | Low | 66 Ų | 66 | 121.2 Ų | 121.2 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | -4.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | L51 | L51-G53 PolarHBondContact O-N 3.48Š|
| 54 | Y | 51.9 | Low | 56.7 | Low | 194 Ų | 194 | 129.5 Ų | 129.5 | 76% | 0.761 | 65% | 0.646 | S | S | * | * | trans | -96.1 | 110.4 | 172.9 | -69.3 | -79 | 0 | 0 | 0 | 107.3 | L51 L52 V56 | L51-Y54 PolarHBondContact O-N 3Å; L51-Y54 VanDerWaalsContact O-N 3.12Å; L52-Y54 WeakPolarHBondContact O-CD2 3.4Å; L52-Y54 PolarHBondContact O-N 3.12Å; Y54-V56 PolarHBondContact O-N 2.71Å | ||
| 55 | Y | 50.4 | Low | 55 | Low | 191 Ų | 191 | 130.9 Ų | 130.9 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | trans | -54.6 | 97.2 | 155.4 | -65.1 | -89.1 | 0 | 0 | 0 | 106.1 | L57 | Y55-L57 PolarHBondContact O-N 2.82Š| ||
| 56 | V | 51.6 | Low | 53.6 | Low | 77 Ų | 77 | 136.8 Ų | 136.8 | 47% | 0.467 | 69% | 0.686 | S | S | . | * | trans | -63.3 | 90.4 | 156.7 | 178.4 | 0 | 0 | 0 | 0 | 103.3 | L51 Y54 Y58 | L51-V56 HydrophobicContact CD1-CG2 4.4Å; Y54-V56 PolarHBondContact O-N 2.71Å; V56-Y58 HydrophobicContact CB-CE2 4.47Å; V56-Y58 HydrophobicContact CG1-CD2 4.35Å; V56-Y58 HydrophobicContact CG1-CE2 4.35Å; V56-Y58 HydrophobicContact CG1-CG 4.47Å; V56-Y58 VanDerWaalsContact O-CD2 3.24Å; V56-Y58 WeakPolarHBondContact O-CD2 3.24Å; V56-Y58 PolarHBondContact O-N 2.76Å | ||
| 57 | L | 49.3 | Very low | 51.9 | Low | 139 Ų | 139 | 137.4 Ų | 137.4 | 73% | 0.728 | 68% | 0.683 | S | S | * | * | trans | -58.3 | 96.3 | 161.5 | -69.2 | 174.3 | 0 | 0 | 0 | 104 | Y55 T59 | Y55-L57 PolarHBondContact O-N 2.82Å; L57-T59 HydrophobicContact CB-CG2 4.5Å; L57-T59 PolarHBondContact O-N 2.72Å | ||
| 58 | Y | 47.9 | Very low | 50.8 | Low | 153 Ų | 153 | 138.6 Ų | 138.6 | 60% | 0.6 | 68% | 0.68 | S | S | * | * | trans | -61.6 | 78.3 | 164.2 | -69.5 | -91.6 | 0 | 0 | 0 | 107.1 | V56 C60 S61 | V56-Y58 HydrophobicContact CB-CE2 4.47Å; V56-Y58 HydrophobicContact CG1-CD2 4.35Å; V56-Y58 HydrophobicContact CG1-CE2 4.35Å; V56-Y58 HydrophobicContact CG1-CG 4.47Å; V56-Y58 VanDerWaalsContact O-CD2 3.24Å; V56-Y58 WeakPolarHBondContact O-CD2 3.24Å; V56-Y58 PolarHBondContact O-N 2.76Å; Y58-C60 PolarHBondContact O-N 3.16Å; Y58-S61 PolarHBondContact O-N 3.24Å; Y58-S61 VanDerWaalsContact O-N 3.16Å | ||
| 59 | T | 52.3 | Low | 50.1 | Low | 140 Ų | 140 | 134.8 Ų | 134.8 | 86% | 0.859 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -8.5 | 161.9 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | L57 | L57-T59 HydrophobicContact CB-CG2 4.5Å; L57-T59 PolarHBondContact O-N 2.72Å |
| 60 | C | 40.9 | Very low | 49.8 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 57.6 | 162.2 | -155.5 | 0 | 0 | 0 | 0 | 111.7 | Y58 F62 | Y58-C60 PolarHBondContact O-N 3.16Å; C60-F62 PolarHBondContact O-N 2.83Å; C60-F62 VanDerWaalsContact O-N 3.13Å |
| 61 | S | 43.3 | Very low | 49.5 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | trans | -75.1 | 69.8 | 149.2 | -71.3 | 0 | 0 | 0 | 0 | 108.6 | Y58 | Y58-S61 PolarHBondContact O-N 3.24Å; Y58-S61 VanDerWaalsContact O-N 3.16Å | ||
| 62 | F | 47.8 | Very low | 49.5 | Very low | 171 Ų | 171 | 133 Ų | 133 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | trans | -83.2 | 110.4 | 154.2 | -169.6 | -107.9 | 0 | 0 | 0 | 105.9 | C60 | C60-F62 PolarHBondContact O-N 2.83Å; C60-F62 VanDerWaalsContact O-N 3.13Å | ||
| 63 | I | 51 | Low | 50 | Low | 116 Ų | 116 | 130.7 Ų | 130.7 | 60% | 0.595 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 76.8 | 83.6 | 177.7 | -40.9 | 161.4 | 0 | 0 | 0 | 113.3 | ||
| 64 | Y | 43.8 | Very low | 50.5 | Low | 212 Ų | 212 | 133.4 Ų | 133.4 | 83% | 0.831 | 67% | 0.665 | S | S | * | * | -159.8 | 116.2 | 112.8 | -86.6 | -70.1 | 0 | 0 | 0 | 108.3 | Q66 | Y64-Q66 VanDerWaalsContact C-N 3.29Å; Y64-Q66 PolarHBondContact O-N 3.13Å | |||
| 65 | V | 46.2 | Very low | 51 | Low | 131 Ų | 131 | 130.7 Ų | 130.7 | 79% | 0.794 | 66% | 0.659 | S | S | * | * | trans | -58.3 | 89.1 | 170.4 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | K67 | V65-K67 VanDerWaalsContact C-N 3.3Å; V65-K67 HydrophobicContact CG1-CG 4.11Å; V65-K67 PolarHBondContact O-N 3.25Å | ||
| 66 | Q | 49.3 | Very low | 51.6 | Low | 164 Ų | 164 | 127.1 Ų | 127.1 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | trans | -77.6 | 91.4 | 165.8 | -165.2 | 161.4 | 79.9 | 0 | 0 | 106.2 | Y64 P68 | Y64-Q66 VanDerWaalsContact C-N 3.29Å; Y64-Q66 PolarHBondContact O-N 3.13Å; Q66-P68 VanDerWaalsContact O-CD 3.23Å; Q66-P68 WeakPolarHBondContact O-CD 3.23Å; Q66-P68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | K | 45.2 | Very low | 52.3 | Low | 166 Ų | 166 | 129.8 Ų | 129.8 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | trans | -55.3 | 117.7 | 162.3 | -70.2 | -166 | 177.2 | -175.4 | 0 | 106.3 | V65 T69 | V65-K67 VanDerWaalsContact C-N 3.3Å; V65-K67 HydrophobicContact CG1-CG 4.11Å; V65-K67 PolarHBondContact O-N 3.25Å; K67-T69 PolarHBondContact O-N 3.1Å | ||
| 68 | P | 51.6 | Low | 53.5 | Low | 88 Ų | 88 | 130.3 Ų | 130.3 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | trans | -74.1 | 84.9 | 177.7 | 31.2 | -33.7 | 0 | 0 | 0 | 108.1 | Q66 R70 S71 | Q66-P68 VanDerWaalsContact O-CD 3.23Å; Q66-P68 WeakPolarHBondContact O-CD 3.23Å; Q66-P68 VanDerWaalsContact O-N 3.14Å; P68-R70 PolarHBondContact O-N 3.02Å; P68-S71 WeakPolarHBondContact CB-OG 3.44Å; P68-S71 PolarHBondContact O-N 2.84Å; P68-S71 PolarHBondContact O-OG 3.06Å | ||
| 69 | T | 53.9 | Low | 53.9 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.6 | -11 | 171.9 | -41.5 | 0 | 0 | 0 | 0 | 111.3 | K67 | K67-T69 PolarHBondContact O-N 3.1Å |
| 70 | R | 55 | Low | 55.1 | Low | 199 Ų | 199 | 130 Ų | 130 | 75% | 0.751 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.2 | -25.1 | 177.2 | -163.3 | 177.5 | 163.2 | 129.5 | 2.1 | 113.7 | P68 | P68-R70 PolarHBondContact O-N 3.02Å |
| 71 | S | 51.8 | Low | 56.1 | Low | 66 Ų | 66 | 131.4 Ų | 131.4 | 46% | 0.462 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -75.5 | -26.5 | 174 | 26.2 | 0 | 0 | 0 | 0 | 112.6 | P68 M74 E75 | P68-S71 WeakPolarHBondContact CB-OG 3.44Å; P68-S71 PolarHBondContact O-N 2.84Å; P68-S71 PolarHBondContact O-OG 3.06Å; S71-M74 PolarHBondContact O-N 3.48Å; S71-E75 PolarHBondContact O-N 3.12Å |
| 72 | V | 56.6 | Low | 57.5 | Low | 85 Ų | 85 | 135.2 Ų | 135.2 | 52% | 0.515 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -67.6 | -41.4 | 177.1 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | M74 E75 E76 | V72-M74 VanDerWaalsContact C-N 3.28Å; V72-M74 PolarHBondContact O-N 3.46Å; V72-E75 PolarHBondContact O-N 3.35Å; V72-E76 WeakPolarHBondContact O-CG 3.45Å; V72-E76 PolarHBondContact O-N 3.38Å; V72-E76 VanDerWaalsContact O-N 3.12Å |
| 73 | N | 61.4 | Low | 58 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 52% | 0.524 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -67.9 | -28.1 | 179.6 | -65.2 | -36.5 | 0 | 0 | 0 | 113.1 | E77 | N73-E77 PolarHBondContact O-N 3.44Å; N73-E77 VanDerWaalsContact O-N 3.1Å |
| 74 | M | 60.2 | Low | 58.3 | Low | 122 Ų | 122 | 134.4 Ų | 134.4 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.1 | -31 | 179 | -133.8 | 171.9 | -72.8 | 0 | 0 | 112 | S71 V72 K78 | S71-M74 PolarHBondContact O-N 3.48Å; V72-M74 VanDerWaalsContact C-N 3.28Å; V72-M74 PolarHBondContact O-N 3.46Å; M74-K78 PolarHBondContact O-N 3.1Å |
| 75 | E | 62.2 | Low | 59.1 | Low | 137 Ų | 137 | 130.1 Ų | 130.1 | 64% | 0.64 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73 | -41.5 | 172.9 | -153.5 | 104.7 | 84.6 | 0 | 0 | 110.9 | S71 V72 E77 K78 C79 | S71-E75 PolarHBondContact O-N 3.12Å; V72-E75 PolarHBondContact O-N 3.35Å; E75-E77 PolarHBondContact O-N 3.34Å; E75-K78 PolarHBondContact O-N 3.3Å; E75-C79 PolarHBondContact O-N 3.38Å; E75-C79 VanDerWaalsContact O-N 3.08Å |
| 76 | E | 61.8 | Low | 59.9 | Low | 117 Ų | 117 | 130 Ų | 130 | 55% | 0.547 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.1 | -39.7 | 177.1 | -73.4 | -106 | 121.8 | 0 | 0 | 112.8 | V72 K78 R80 | V72-E76 WeakPolarHBondContact O-CG 3.45Å; V72-E76 PolarHBondContact O-N 3.38Å; V72-E76 VanDerWaalsContact O-N 3.12Å; E76-K78 VanDerWaalsContact C-N 3.35Å; E76-R80 WeakPolarHBondContact O-CB 3.45Å; E76-R80 PolarHBondContact O-N 3.32Å; E76-R80 VanDerWaalsContact O-N 3.1Å |
| 77 | E | 67 | Low | 60.6 | Low | 132 Ų | 132 | 127.9 Ų | 127.9 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.9 | -33 | 175.3 | -104.4 | 179.1 | 89.2 | 0 | 0 | 112.6 | N73 E75 R80 N81 | N73-E77 PolarHBondContact O-N 3.44Å; N73-E77 VanDerWaalsContact O-N 3.1Å; E75-E77 PolarHBondContact O-N 3.34Å; E77-R80 PolarHBondContact O-N 3.08Å; E77-N81 PolarHBondContact O-N 3.22Å |
| 78 | K | 74.3 | Confident | 61.6 | Low | 151 Ų | 151 | 125.3 Ų | 125.3 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.2 | -38.6 | 177.3 | -168.5 | 173.5 | -178.7 | -177.5 | 0 | 112 | M74 E75 E76 R80 T82 | M74-K78 PolarHBondContact O-N 3.1Å; E75-K78 PolarHBondContact O-N 3.3Å; E76-K78 VanDerWaalsContact C-N 3.35Å; K78-R80 VanDerWaalsContact C-N 3.33Å; K78-T82 PolarHBondContact O-OG1 3.34Å |
| 79 | C | 56.5 | Low | 62.3 | Low | 100 Ų | 100 | 128 Ų | 128 | 68% | 0.676 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.3 | -18.2 | 174.4 | -73.8 | 0 | 0 | 0 | 0 | 113.9 | E75 | E75-C79 PolarHBondContact O-N 3.38Å; E75-C79 VanDerWaalsContact O-N 3.08Å |
| 80 | R | 77.7 | Confident | 63 | Low | 185 Ų | 185 | 130.5 Ų | 130.5 | 70% | 0.698 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.5 | -26.2 | 176.6 | -168.4 | 173.7 | -63.4 | 178.5 | 3.7 | 113.2 | E76 E77 K78 | E76-R80 WeakPolarHBondContact O-CB 3.45Å; E76-R80 PolarHBondContact O-N 3.32Å; E76-R80 VanDerWaalsContact O-N 3.1Å; E77-R80 PolarHBondContact O-N 3.08Å; K78-R80 VanDerWaalsContact C-N 3.33Å |
| 81 | N | 62.3 | Low | 63.6 | Low | 134 Ų | 134 | 124.8 Ų | 124.8 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | trans | -109.8 | 16.5 | -175.3 | -73.1 | -19.8 | 0 | 0 | 0 | 114.4 | E77 | E77-N81 PolarHBondContact O-N 3.22Š| ||
| 82 | T | 71.6 | Confident | 64.7 | Low | 171 Ų | 171 | 130.2 Ų | 130.2 | 100% | 1.049 | 66% | 0.658 | S | S | * | * | trans | -121.1 | 0 | 165.9 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | K78 | K78-T82 PolarHBondContact O-OG1 3.34Š|
Retrieved 82 of 82 residues in 23 ms
(Link to these results)