| 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 | 46 | Very low | 68.6 | Low | 244 Ų | 244 | 111.3 Ų | 111.3 | 100% | 1.202 | 66% | 0.657 | S | S | * | * | 0 | 110.7 | 0 | -73.3 | 174.4 | 173.1 | 0 | 0 | 107 | |||||
| 2 | Q | 45 | Very low | 70.4 | Confident | 189 Ų | 189 | 108.9 Ų | 108.9 | 88% | 0.883 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 138.3 | 171.1 | -92.3 | 168 | -39.6 | 0 | 0 | 108.4 | ||
| 3 | P | 62.4 | Low | 71.9 | Confident | 112 Ų | 112 | 108.3 Ų | 108.3 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.3 | 174.4 | 24.5 | -31 | 0 | 0 | 0 | 109 | ||
| 4 | P | 59.3 | Low | 73.3 | Confident | 114 Ų | 114 | 109.3 Ų | 109.3 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 140.8 | 178.9 | 24.1 | -32.3 | 0 | 0 | 0 | 109.2 | ||
| 5 | P | 65.3 | Low | 74.6 | Confident | 114 Ų | 114 | 109.3 Ų | 109.3 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 139 | 176.6 | 23.2 | -31 | 0 | 0 | 0 | 108.7 | G7 | P5-G7 PolarHBondContact O-N 3.47Š|
| 6 | P | 65.5 | Low | 75.7 | Confident | 66 Ų | 66 | 112.3 Ų | 112.3 | 43% | 0.429 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 130.3 | 178.4 | 17.1 | -25.3 | 0 | 0 | 0 | 108.9 | ||
| 7 | G | 76.4 | Confident | 76.8 | Confident | 40 Ų | 40 | 113.6 Ų | 113.6 | 41% | 0.412 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 168.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | P5 L9 G10 D11 | P5-G7 PolarHBondContact O-N 3.47Å; G7-L9 PolarHBondContact O-N 3.31Å; G7-G10 WeakPolarHBondContact O-CA 3.48Å; G7-G10 PolarHBondContact O-N 3.11Å; G7-D11 PolarHBondContact O-N 2.89Å |
| 8 | P | 78.8 | Confident | 77.8 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -53.1 | -29.3 | -175.8 | -25.1 | 31.6 | 0 | 0 | 0 | 114.8 | C12 | P8-C12 PolarHBondContact O-N 2.87Å |
| 9 | L | 83.2 | Confident | 78.6 | Confident | 139 Ų | 139 | 112.9 Ų | 112.9 | 73% | 0.728 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.1 | -37.1 | 175.7 | -162.5 | 86.9 | 0 | 0 | 0 | 112.7 | G7 C12 L13 | G7-L9 PolarHBondContact O-N 3.31Å; L9-C12 PolarHBondContact O-N 3.12Å; L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 2.98Å |
| 10 | G | 85.5 | Confident | 79.4 | Confident | 27 Ų | 27 | 111.7 Ų | 111.7 | 28% | 0.278 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.2 | -31.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G7 R14 | G7-G10 WeakPolarHBondContact O-CA 3.48Å; G7-G10 PolarHBondContact O-N 3.11Å; G10-R14 WeakPolarHBondContact O-CG 3.41Å; G10-R14 PolarHBondContact O-N 3.23Å; G10-R14 PolarHBondContact O-NE 3.31Å |
| 11 | D | 87.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 111.6 Ų | 111.6 | 33% | 0.326 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -50.2 | 170.1 | -64.9 | -24.1 | 0 | 0 | 0 | 110.6 | G7 L13 R14 D15 | G7-D11 PolarHBondContact O-N 2.89Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3.4Å; D11-R14 PolarHBondContact O-N 3.35Å; D11-R14 VanDerWaalsContact O-N 3.12Å; D11-R14 IonicContact OD1-CZ 3.16Å; D11-R14 IonicContact OD1-NH2 3.77Å; D11-R14 PolarHBondContact OD1-NH2 2.92Å; D11-D15 PolarHBondContact O-N 3.26Å |
| 12 | C | 90.5 | Very high | 82.5 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59 | -37.6 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 113.4 | P8 L9 W16 | P8-C12 PolarHBondContact O-N 2.87Å; L9-C12 PolarHBondContact O-N 3.12Å; C12-W16 WeakPolarHBondContact O-CB 3.34Å; C12-W16 PolarHBondContact O-N 3.08Å |
| 13 | L | 90.3 | Very high | 84.7 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 176.6 | -77.1 | 170.8 | 0 | 0 | 0 | 112.8 | L9 D11 W16 E17 | L9-L13 WeakPolarHBondContact O-CG 3.47Å; L9-L13 PolarHBondContact O-N 2.98Å; D11-L13 VanDerWaalsContact C-N 3.31Å; D11-L13 PolarHBondContact O-N 3.4Å; L13-W16 PolarHBondContact O-N 3.48Å; L13-E17 PolarHBondContact O-N 2.84Å |
| 14 | R | 91 | Very high | 86.3 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -45.1 | 175.8 | -73.4 | -176.3 | -65.8 | 179.1 | 9.5 | 111.3 | G10 D11 W16 E17 D18 | G10-R14 WeakPolarHBondContact O-CG 3.41Å; G10-R14 PolarHBondContact O-N 3.23Å; G10-R14 PolarHBondContact O-NE 3.31Å; D11-R14 PolarHBondContact O-N 3.35Å; D11-R14 VanDerWaalsContact O-N 3.12Å; D11-R14 IonicContact OD1-CZ 3.16Å; D11-R14 IonicContact OD1-NH2 3.77Å; D11-R14 PolarHBondContact OD1-NH2 2.92Å; R14-W16 PolarHBondContact O-N 3.37Å; R14-E17 PolarHBondContact O-N 3.02Å; R14-E17 VanDerWaalsContact O-N 3.1Å; R14-D18 PolarHBondContact O-N 2.79Å |
| 15 | D | 92.8 | Very high | 88.1 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 58% | 0.583 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.9 | -37.5 | 175.4 | -67.1 | -12.6 | 0 | 0 | 0 | 111.3 | D11 L19 | D11-D15 PolarHBondContact O-N 3.26Å; D15-L19 WeakPolarHBondContact O-CB 3.49Å; D15-L19 PolarHBondContact O-N 2.95Å |
| 16 | W | 91.5 | Very high | 89.5 | Confident | 158 Ų | 158 | 97.6 Ų | 97.6 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.8 | -41.8 | 175.5 | 179.2 | -100.3 | 0 | 0 | 0 | 113.2 | C12 L13 R14 L19 Q20 | C12-W16 WeakPolarHBondContact O-CB 3.34Å; C12-W16 PolarHBondContact O-N 3.08Å; L13-W16 PolarHBondContact O-N 3.48Å; R14-W16 PolarHBondContact O-N 3.37Å; W16-L19 HydrophobicContact CE3-CD2 4.44Å; W16-L19 HydrophobicContact CZ3-CD2 4.41Å; W16-L19 PolarHBondContact O-N 3.19Å; W16-Q20 VanDerWaalsContact O-CB 3.31Å; W16-Q20 WeakPolarHBondContact O-CB 3.47Å; W16-Q20 PolarHBondContact O-N 3.06Å |
| 17 | E | 94.4 | Very high | 90.9 | Very high | 135 Ų | 135 | 98.7 Ų | 98.7 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -42.1 | 175.3 | -86.6 | 173 | 167.7 | 0 | 0 | 112 | L13 R14 Q20 Q21 | L13-E17 PolarHBondContact O-N 2.84Å; R14-E17 PolarHBondContact O-N 3.02Å; R14-E17 VanDerWaalsContact O-N 3.1Å; E17-Q20 PolarHBondContact O-N 2.92Å; E17-Q21 PolarHBondContact O-N 3.29Å |
| 18 | D | 94.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 101.4 Ų | 101.4 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 175.3 | -72 | -19.4 | 0 | 0 | 0 | 110.9 | R14 Q20 Q21 D22 | R14-D18 PolarHBondContact O-N 2.79Å; D18-Q20 VanDerWaalsContact C-N 3.29Å; D18-Q20 PolarHBondContact O-N 3Å; D18-Q21 PolarHBondContact O-N 3.2Å; D18-D22 PolarHBondContact O-N 3.39Å |
| 19 | L | 93.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 100.3 Ų | 100.3 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 177.1 | -160.3 | 77.9 | 0 | 0 | 0 | 112.1 | D15 W16 D22 F23 | D15-L19 WeakPolarHBondContact O-CB 3.49Å; D15-L19 PolarHBondContact O-N 2.95Å; W16-L19 HydrophobicContact CE3-CD2 4.44Å; W16-L19 HydrophobicContact CZ3-CD2 4.41Å; W16-L19 PolarHBondContact O-N 3.19Å; L19-D22 PolarHBondContact O-N 3.05Å; L19-F23 WeakPolarHBondContact O-CB 3.5Å; L19-F23 PolarHBondContact O-N 3.18Å |
| 20 | Q | 94.9 | Very high | 92.8 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 177 | -175 | 67.8 | 6.5 | 0 | 0 | 111.1 | W16 E17 D18 F23 Q24 | W16-Q20 VanDerWaalsContact O-CB 3.31Å; W16-Q20 WeakPolarHBondContact O-CB 3.47Å; W16-Q20 PolarHBondContact O-N 3.06Å; E17-Q20 PolarHBondContact O-N 2.92Å; D18-Q20 VanDerWaalsContact C-N 3.29Å; D18-Q20 PolarHBondContact O-N 3Å; Q20-F23 PolarHBondContact O-N 3.41Å; Q20-Q24 WeakPolarHBondContact O-CG 3.16Å; Q20-Q24 PolarHBondContact O-N 3.09Å; Q20-Q24 VanDerWaalsContact O-N 3.14Å |
| 21 | Q | 95.3 | Very high | 93.2 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176.3 | -174.7 | 60.1 | 49.9 | 0 | 0 | 111.6 | E17 D18 F23 Q24 N25 | E17-Q21 PolarHBondContact O-N 3.29Å; D18-Q21 PolarHBondContact O-N 3.2Å; Q21-F23 VanDerWaalsContact C-N 3.33Å; Q21-F23 PolarHBondContact O-N 3.45Å; Q21-Q24 PolarHBondContact O-N 3.08Å; Q21-N25 PolarHBondContact NE2-OD1 3.33Å; Q21-N25 VanDerWaalsContact O-CG 3.3Å; Q21-N25 PolarHBondContact O-N 3Å; Q21-N25 PolarHBondContact O-ND2 3.15Å |
| 22 | D | 94.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 105.6 Ų | 105.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176 | -81.7 | -11.8 | 0 | 0 | 0 | 112.1 | D18 L19 Q24 N25 I26 | D18-D22 PolarHBondContact O-N 3.39Å; L19-D22 PolarHBondContact O-N 3.05Å; D22-Q24 PolarHBondContact O-N 3.4Å; D22-N25 WeakPolarHBondContact O-CB 3.43Å; D22-N25 PolarHBondContact O-N 3.03Å; D22-I26 WeakPolarHBondContact O-CG1 3.48Å; D22-I26 PolarHBondContact O-N 3.04Å |
| 23 | F | 92.6 | Very high | 93.6 | Very high | 105 Ų | 105 | 108.1 Ų | 108.1 | 46% | 0.461 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.7 | -175.6 | -104.8 | 0 | 0 | 0 | 112 | L19 Q20 Q21 N25 I26 Q27 | L19-F23 WeakPolarHBondContact O-CB 3.5Å; L19-F23 PolarHBondContact O-N 3.18Å; Q20-F23 PolarHBondContact O-N 3.41Å; Q21-F23 VanDerWaalsContact C-N 3.33Å; Q21-F23 PolarHBondContact O-N 3.45Å; F23-N25 VanDerWaalsContact C-N 3.33Å; F23-N25 PolarHBondContact O-N 3.11Å; F23-I26 PolarHBondContact O-N 3.34Å; F23-Q27 HydrophobicContact CD1-CG 4.27Å; F23-Q27 HydrophobicContact CE1-CG 3.92Å; F23-Q27 HydrophobicContact CZ-CG 4.09Å; F23-Q27 WeakPolarHBondContact O-CG 3.34Å; F23-Q27 PolarHBondContact O-N 3.47Å |
| 24 | Q | 95.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 109.9 Ų | 109.9 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 175 | -68.7 | -61.1 | -38.6 | 0 | 0 | 111.9 | Q20 Q21 D22 I26 Q27 E28 | Q20-Q24 WeakPolarHBondContact O-CG 3.16Å; Q20-Q24 PolarHBondContact O-N 3.09Å; Q20-Q24 VanDerWaalsContact O-N 3.14Å; Q21-Q24 PolarHBondContact O-N 3.08Å; D22-Q24 PolarHBondContact O-N 3.4Å; Q24-I26 VanDerWaalsContact C-N 3.34Å; Q24-I26 PolarHBondContact O-N 3.47Å; Q24-Q27 PolarHBondContact O-N 3.4Å; Q24-E28 PolarHBondContact O-N 2.96Å |
| 25 | N | 96.1 | Very high | 93.3 | Very high | 81 Ų | 81 | 107.7 Ų | 107.7 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.8 | -68 | -23.1 | 0 | 0 | 0 | 111.9 | Q21 D22 F23 E28 T29 | Q21-N25 PolarHBondContact NE2-OD1 3.33Å; Q21-N25 VanDerWaalsContact O-CG 3.3Å; Q21-N25 PolarHBondContact O-N 3Å; Q21-N25 PolarHBondContact O-ND2 3.15Å; D22-N25 WeakPolarHBondContact O-CB 3.43Å; D22-N25 PolarHBondContact O-N 3.03Å; F23-N25 VanDerWaalsContact C-N 3.33Å; F23-N25 PolarHBondContact O-N 3.11Å; N25-E28 PolarHBondContact O-N 2.85Å; N25-T29 WeakPolarHBondContact O-CB 3.4Å; N25-T29 PolarHBondContact O-N 3.4Å; N25-T29 PolarHBondContact O-OG1 2.99Å |
| 26 | I | 94.6 | Very high | 93.1 | Very high | 108 Ų | 108 | 108 Ų | 108 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 174.9 | -71 | 160.3 | 0 | 0 | 0 | 110.6 | D22 F23 Q24 E28 T29 H30 | D22-I26 WeakPolarHBondContact O-CG1 3.48Å; D22-I26 PolarHBondContact O-N 3.04Å; F23-I26 PolarHBondContact O-N 3.34Å; Q24-I26 VanDerWaalsContact C-N 3.34Å; Q24-I26 PolarHBondContact O-N 3.47Å; I26-E28 PolarHBondContact O-N 3.28Å; I26-T29 PolarHBondContact O-N 2.89Å; I26-H30 WeakPolarHBondContact O-CB 3.48Å; I26-H30 PolarHBondContact O-N 3.46Å |
| 27 | Q | 94.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 104.2 Ų | 104.2 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 178.8 | -73.1 | -171.3 | -61.3 | 0 | 0 | 111.9 | F23 Q24 H30 R31 | F23-Q27 HydrophobicContact CD1-CG 4.27Å; F23-Q27 HydrophobicContact CE1-CG 3.92Å; F23-Q27 HydrophobicContact CZ-CG 4.09Å; F23-Q27 WeakPolarHBondContact O-CG 3.34Å; F23-Q27 PolarHBondContact O-N 3.47Å; Q24-Q27 PolarHBondContact O-N 3.4Å; Q27-H30 PolarHBondContact O-N 2.97Å; Q27-R31 PolarHBondContact O-N 3.46Å |
| 28 | E | 96.5 | Very high | 92 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.7 | -39.2 | 177.7 | -173.4 | 58.4 | -166.8 | 0 | 0 | 111.9 | Q24 N25 I26 H30 R31 L32 | Q24-E28 PolarHBondContact O-N 2.96Å; N25-E28 PolarHBondContact O-N 2.85Å; I26-E28 PolarHBondContact O-N 3.28Å; E28-H30 VanDerWaalsContact C-N 3.32Å; E28-H30 PolarHBondContact O-N 3.06Å; E28-R31 WeakPolarHBondContact O-CB 3.35Å; E28-R31 PolarHBondContact O-N 3.04Å; E28-R31 VanDerWaalsContact O-N 3.16Å; E28-R31 IonicContact OE1-CZ 2.65Å; E28-R31 IonicContact OE1-NE 3.43Å; E28-R31 PolarHBondContact OE1-NE 3.32Å; E28-R31 VanDerWaalsContact OE1-NE 3.16Å; E28-R31 IonicContact OE1-NH2 2.88Å; E28-R31 PolarHBondContact OE1-NH2 3.01Å; E28-R31 IonicContact OE2-CZ 3.9Å; E28-R31 IonicContact OE2-NE 3.69Å; E28-R31 PolarHBondContact OE2-NE 3.07Å; E28-R31 IonicContact OE2-NH2 2.61Å; E28-L32 PolarHBondContact O-N 3.32Å |
| 29 | T | 93.5 | Very high | 91.9 | Very high | 95 Ų | 95 | 104.2 Ų | 104.2 | 58% | 0.583 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 174.5 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | N25 I26 L32 Y33 | N25-T29 WeakPolarHBondContact O-CB 3.4Å; N25-T29 PolarHBondContact O-N 3.4Å; N25-T29 PolarHBondContact O-OG1 2.99Å; I26-T29 PolarHBondContact O-N 2.89Å; T29-L32 PolarHBondContact O-N 3.28Å; T29-Y33 WeakPolarHBondContact O-CB 3.36Å; T29-Y33 PolarHBondContact O-N 3.49Å |
| 30 | H | 89.3 | Confident | 91.6 | Very high | 106 Ų | 106 | 103.4 Ų | 103.4 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 175.7 | 176.8 | -104.6 | 0 | 0 | 0 | 111.9 | I26 Q27 E28 Y33 R34 | I26-H30 WeakPolarHBondContact O-CB 3.48Å; I26-H30 PolarHBondContact O-N 3.46Å; Q27-H30 PolarHBondContact O-N 2.97Å; E28-H30 VanDerWaalsContact C-N 3.32Å; E28-H30 PolarHBondContact O-N 3.06Å; H30-Y33 PolarHBondContact O-N 3.02Å; H30-R34 WeakPolarHBondContact O-CG 3.42Å; H30-R34 PolarHBondContact O-N 3.41Å |
| 31 | R | 93.3 | Very high | 91 | Very high | 143 Ų | 143 | 102 Ų | 102 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.1 | -167.9 | 179.2 | 82.9 | 116.4 | 4.3 | 111.2 | Q27 E28 R34 L35 | Q27-R31 PolarHBondContact O-N 3.46Å; E28-R31 WeakPolarHBondContact O-CB 3.35Å; E28-R31 PolarHBondContact O-N 3.04Å; E28-R31 VanDerWaalsContact O-N 3.16Å; E28-R31 IonicContact OE1-CZ 2.65Å; E28-R31 IonicContact OE1-NE 3.43Å; E28-R31 PolarHBondContact OE1-NE 3.32Å; E28-R31 VanDerWaalsContact OE1-NE 3.16Å; E28-R31 IonicContact OE1-NH2 2.88Å; E28-R31 PolarHBondContact OE1-NH2 3.01Å; E28-R31 IonicContact OE2-CZ 3.9Å; E28-R31 IonicContact OE2-NE 3.69Å; E28-R31 PolarHBondContact OE2-NE 3.07Å; E28-R31 IonicContact OE2-NH2 2.61Å; R31-R34 PolarHBondContact O-N 2.92Å; R31-L35 WeakPolarHBondContact O-CG 3.36Å; R31-L35 PolarHBondContact O-N 3.36Å; R31-L35 VanDerWaalsContact O-N 3.11Å |
| 32 | L | 96.9 | Very high | 90.6 | Very high | 89 Ų | 89 | 103.5 Ų | 103.5 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.5 | -177 | 62.4 | 0 | 0 | 0 | 112.1 | E28 T29 R34 L35 K36 | E28-L32 PolarHBondContact O-N 3.32Å; T29-L32 PolarHBondContact O-N 3.28Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.01Å; L32-L35 PolarHBondContact O-N 3.17Å; L32-K36 HydrophobicContact CG-CD 4.43Å; L32-K36 PolarHBondContact O-N 3.05Å |
| 33 | Y | 90.1 | Very high | 90.4 | Very high | 136 Ų | 136 | 104.4 Ų | 104.4 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.3 | -47.4 | 173.6 | 167.5 | -98.8 | 0 | 0 | 0 | 111.2 | T29 H30 L35 K36 L37 | T29-Y33 WeakPolarHBondContact O-CB 3.36Å; T29-Y33 PolarHBondContact O-N 3.49Å; H30-Y33 PolarHBondContact O-N 3.02Å; Y33-L35 PolarHBondContact O-N 3.35Å; Y33-K36 PolarHBondContact O-N 2.95Å; Y33-L37 HydrophobicContact CE1-CD2 4.25Å; Y33-L37 WeakPolarHBondContact O-CB 3.49Å; Y33-L37 PolarHBondContact O-N 3.49Å |
| 34 | R | 85.6 | Confident | 90.2 | Very high | 138 Ų | 138 | 102.2 Ų | 102.2 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 178.5 | -76.4 | -170.8 | 61.9 | -179 | -3.3 | 112.7 | H30 R31 L32 L37 E38 | H30-R34 WeakPolarHBondContact O-CG 3.42Å; H30-R34 PolarHBondContact O-N 3.41Å; R31-R34 PolarHBondContact O-N 2.92Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.01Å; R34-L37 WeakPolarHBondContact O-CB 3.29Å; R34-L37 PolarHBondContact O-N 3.4Å; R34-E38 WeakPolarHBondContact O-CG 3.49Å; R34-E38 PolarHBondContact O-N 2.97Å |
| 35 | L | 89.1 | Confident | 89.7 | Confident | 77 Ų | 77 | 102.3 Ų | 102.3 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 177.5 | -70 | 171.3 | 0 | 0 | 0 | 111.6 | R31 L32 Y33 L37 E38 E39 | R31-L35 WeakPolarHBondContact O-CG 3.36Å; R31-L35 PolarHBondContact O-N 3.36Å; R31-L35 VanDerWaalsContact O-N 3.11Å; L32-L35 PolarHBondContact O-N 3.17Å; Y33-L35 PolarHBondContact O-N 3.35Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 3.41Å; L35-E38 PolarHBondContact O-N 3.42Å; L35-E39 PolarHBondContact O-N 3.21Å |
| 36 | K | 89.1 | Confident | 89.5 | Confident | 115 Ų | 115 | 102.6 Ų | 102.6 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -37 | 176.6 | -73.2 | -179.3 | 177.6 | -70.6 | 0 | 112.1 | L32 Y33 E39 L40 | L32-K36 HydrophobicContact CG-CD 4.43Å; L32-K36 PolarHBondContact O-N 3.05Å; Y33-K36 PolarHBondContact O-N 2.95Å; K36-E39 PolarHBondContact O-N 3.49Å; K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.35Å; K36-L40 PolarHBondContact O-N 3.1Å |
| 37 | L | 82.5 | Confident | 89.3 | Confident | 79 Ų | 79 | 99.8 Ų | 99.8 | 41% | 0.414 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.4 | -173.4 | 66 | 0 | 0 | 0 | 111.7 | Y33 R34 L35 T41 | Y33-L37 HydrophobicContact CE1-CD2 4.25Å; Y33-L37 WeakPolarHBondContact O-CB 3.49Å; Y33-L37 PolarHBondContact O-N 3.49Å; R34-L37 WeakPolarHBondContact O-CB 3.29Å; R34-L37 PolarHBondContact O-N 3.4Å; L35-L37 VanDerWaalsContact C-N 3.28Å; L35-L37 PolarHBondContact O-N 3.41Å; L37-T41 WeakPolarHBondContact O-CB 3.33Å; L37-T41 PolarHBondContact O-N 2.89Å; L37-T41 PolarHBondContact O-OG1 2.64Å |
| 38 | E | 80.1 | Confident | 89.1 | Confident | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 175.5 | -72.5 | 174.8 | -168.6 | 0 | 0 | 111.8 | R34 L35 T41 K42 | R34-E38 WeakPolarHBondContact O-CG 3.49Å; R34-E38 PolarHBondContact O-N 2.97Å; L35-E38 PolarHBondContact O-N 3.42Å; E38-T41 PolarHBondContact O-N 3.39Å; E38-K42 PolarHBondContact O-N 3.18Å |
| 39 | E | 91.8 | Very high | 88.8 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.4 | -47.6 | 175.3 | -72 | 179.8 | 172.4 | 0 | 0 | 112.1 | L35 K36 T41 K42 L43 | L35-E39 PolarHBondContact O-N 3.21Å; K36-E39 PolarHBondContact O-N 3.49Å; E39-T41 VanDerWaalsContact C-N 3.33Å; E39-T41 PolarHBondContact O-N 3.02Å; E39-K42 PolarHBondContact O-N 3.33Å; E39-L43 WeakPolarHBondContact O-CG 3.49Å; E39-L43 PolarHBondContact O-N 3.33Å |
| 40 | L | 86.6 | Confident | 88.8 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176 | -76.6 | 174.2 | 0 | 0 | 0 | 111.4 | K36 K42 L43 Q44 | K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 VanDerWaalsContact O-CG 3.3Å; K36-L40 WeakPolarHBondContact O-CG 3.35Å; K36-L40 PolarHBondContact O-N 3.1Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 3.48Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-Q44 WeakPolarHBondContact O-CB 2.97Å; L40-Q44 WeakPolarHBondContact O-CG 3.32Å; L40-Q44 PolarHBondContact O-N 3.08Å |
| 41 | T | 82.8 | Confident | 89 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 36% | 0.356 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | L37 E38 E39 Q44 N45 | L37-T41 WeakPolarHBondContact O-CB 3.33Å; L37-T41 PolarHBondContact O-N 2.89Å; L37-T41 PolarHBondContact O-OG1 2.64Å; E38-T41 PolarHBondContact O-N 3.39Å; E39-T41 VanDerWaalsContact C-N 3.33Å; E39-T41 PolarHBondContact O-N 3.02Å; T41-Q44 PolarHBondContact O-N 3.3Å; T41-N45 WeakPolarHBondContact O-CB 3.07Å; T41-N45 VanDerWaalsContact O-CG 3.32Å; T41-N45 PolarHBondContact O-N 3.3Å; T41-N45 PolarHBondContact O-ND2 2.86Å |
| 42 | K | 86.3 | Confident | 88.8 | Confident | 141 Ų | 141 | 88 Ų | 88 | 61% | 0.613 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 176.5 | -174.9 | 178.7 | 179.4 | -179 | 0 | 111.6 | E38 E39 L40 N45 N46 | E38-K42 PolarHBondContact O-N 3.18Å; E39-K42 PolarHBondContact O-N 3.33Å; L40-K42 VanDerWaalsContact C-N 3.32Å; L40-K42 PolarHBondContact O-N 3.48Å; K42-N45 PolarHBondContact O-N 3.37Å; K42-N46 WeakPolarHBondContact O-CB 3.4Å; K42-N46 VanDerWaalsContact O-CG 3.24Å; K42-N46 PolarHBondContact O-N 2.96Å; K42-N46 PolarHBondContact O-ND2 3.07Å |
| 43 | L | 92.1 | Very high | 88.7 | Confident | 113 Ų | 113 | 91.6 Ų | 91.6 | 59% | 0.592 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 176.4 | -74.2 | 170.5 | 0 | 0 | 0 | 111.6 | E39 L40 N45 N46 C47 | E39-L43 WeakPolarHBondContact O-CG 3.49Å; E39-L43 PolarHBondContact O-N 3.33Å; L40-L43 PolarHBondContact O-N 3.1Å; L43-N45 PolarHBondContact O-N 3.47Å; L43-N46 PolarHBondContact O-N 3.48Å; L43-C47 WeakPolarHBondContact O-CB 3.3Å; L43-C47 PolarHBondContact O-N 3.37Å |
| 44 | Q | 88.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 89.1 Ų | 89.1 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 177.6 | -72.5 | 165.8 | -10.5 | 0 | 0 | 111.9 | L40 T41 C47 T48 L101 P102 | L40-Q44 WeakPolarHBondContact O-CB 2.97Å; L40-Q44 WeakPolarHBondContact O-CG 3.32Å; L40-Q44 PolarHBondContact O-N 3.08Å; T41-Q44 PolarHBondContact O-N 3.3Å; Q44-C47 PolarHBondContact O-N 2.83Å; Q44-T48 VanDerWaalsContact O-CB 3.31Å; Q44-T48 WeakPolarHBondContact O-CB 3.38Å; Q44-T48 PolarHBondContact O-N 3.26Å; Q44-T48 PolarHBondContact O-OG1 3.14Å; Q44-L101 HydrophobicContact CB-CD2 4.28Å; Q44-L101 HydrophobicContact CG-CD2 4.16Å; Q44-P102 HydrophobicContact CB-CG 4.45Å; Q44-P102 VanDerWaalsContact CD-CD 3.49Å; Q44-P102 VanDerWaalsContact CD-CG 3.41Å; Q44-P102 HydrophobicContact CG-CG 4.04Å |
| 45 | N | 85.7 | Confident | 89.3 | Confident | 93 Ų | 93 | 85.8 Ų | 85.8 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.4 | -75.1 | -29 | 0 | 0 | 0 | 111.9 | T41 K42 L43 S49 | T41-N45 WeakPolarHBondContact O-CB 3.07Å; T41-N45 VanDerWaalsContact O-CG 3.32Å; T41-N45 PolarHBondContact O-N 3.3Å; T41-N45 PolarHBondContact O-ND2 2.86Å; K42-N45 PolarHBondContact O-N 3.37Å; L43-N45 PolarHBondContact O-N 3.47Å; N45-S49 VanDerWaalsContact O-CB 3.28Å; N45-S49 WeakPolarHBondContact O-CB 3.26Å; N45-S49 PolarHBondContact O-N 2.91Å; N45-S49 PolarHBondContact O-OG 3.35Å |
| 46 | N | 91 | Very high | 89.5 | Confident | 88 Ų | 88 | 88.2 Ų | 88.2 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.7 | -72.9 | -15.2 | 0 | 0 | 0 | 111.8 | K42 L43 S49 S50 | K42-N46 WeakPolarHBondContact O-CB 3.4Å; K42-N46 VanDerWaalsContact O-CG 3.24Å; K42-N46 PolarHBondContact O-N 2.96Å; K42-N46 PolarHBondContact O-ND2 3.07Å; L43-N46 PolarHBondContact O-N 3.48Å; N46-S49 PolarHBondContact O-N 3.15Å; N46-S50 VanDerWaalsContact O-CB 3.3Å; N46-S50 WeakPolarHBondContact O-CB 3.49Å; N46-S50 PolarHBondContact O-N 2.85Å; N46-S50 PolarHBondContact O-OG 2.77Å |
| 47 | C | 91.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 33% | 0.331 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -50 | 179.4 | -155.2 | 0 | 0 | 0 | 0 | 110.7 | L43 Q44 S49 S50 I51 L101 | L43-C47 WeakPolarHBondContact O-CB 3.3Å; L43-C47 PolarHBondContact O-N 3.37Å; Q44-C47 PolarHBondContact O-N 2.83Å; C47-S49 VanDerWaalsContact C-N 3.34Å; C47-S49 PolarHBondContact O-N 2.64Å; C47-S50 PolarHBondContact O-N 2.75Å; C47-I51 WeakPolarHBondContact O-CB 3.14Å; C47-I51 VanDerWaalsContact O-CG1 3.3Å; C47-I51 WeakPolarHBondContact O-CG1 3.27Å; C47-I51 PolarHBondContact O-N 2.96Å; C47-L101 HydrophobicContact CB-CD1 4.24Å; C47-L101 HydrophobicContact CB-CD2 3.97Å |
| 48 | T | 89 | Confident | 90.3 | Very high | 53 Ų | 53 | 87 Ų | 87 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.8 | -47.1 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | Q44 S50 T52 | Q44-T48 VanDerWaalsContact O-CB 3.31Å; Q44-T48 WeakPolarHBondContact O-CB 3.38Å; Q44-T48 PolarHBondContact O-N 3.26Å; Q44-T48 PolarHBondContact O-OG1 3.14Å; T48-S50 VanDerWaalsContact C-N 3.34Å; T48-S50 PolarHBondContact O-N 2.87Å; T48-T52 WeakPolarHBondContact O-CB 3.34Å; T48-T52 PolarHBondContact O-N 3.06Å; T48-T52 PolarHBondContact O-OG1 3.3Å |
| 49 | S | 91.1 | Very high | 90.9 | Very high | 69 Ų | 69 | 87.2 Ų | 87.2 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | N45 N46 C47 R53 | N45-S49 VanDerWaalsContact O-CB 3.28Å; N45-S49 WeakPolarHBondContact O-CB 3.26Å; N45-S49 PolarHBondContact O-N 2.91Å; N45-S49 PolarHBondContact O-OG 3.35Å; N46-S49 PolarHBondContact O-N 3.15Å; C47-S49 VanDerWaalsContact C-N 3.34Å; C47-S49 PolarHBondContact O-N 2.64Å; S49-R53 WeakPolarHBondContact O-CB 3.39Å; S49-R53 PolarHBondContact O-N 2.9Å |
| 50 | S | 94 | Very high | 91 | Very high | 70 Ų | 70 | 86.4 Ų | 86.4 | 49% | 0.49 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.4 | -44.9 | 179.8 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | N46 C47 T48 R53 Q54 | N46-S50 VanDerWaalsContact O-CB 3.3Å; N46-S50 WeakPolarHBondContact O-CB 3.49Å; N46-S50 PolarHBondContact O-N 2.85Å; N46-S50 PolarHBondContact O-OG 2.77Å; C47-S50 PolarHBondContact O-N 2.75Å; T48-S50 VanDerWaalsContact C-N 3.34Å; T48-S50 PolarHBondContact O-N 2.87Å; S50-R53 PolarHBondContact O-N 3.4Å; S50-Q54 WeakPolarHBondContact O-CB 3.43Å; S50-Q54 PolarHBondContact O-N 3.28Å |
| 51 | I | 91.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 85.7 Ų | 85.7 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.1 | -47 | 175 | -68.9 | 168.3 | 0 | 0 | 0 | 110 | C47 R53 Q54 K55 F94 M97 E98 L101 | C47-I51 WeakPolarHBondContact O-CB 3.14Å; C47-I51 VanDerWaalsContact O-CG1 3.3Å; C47-I51 WeakPolarHBondContact O-CG1 3.27Å; C47-I51 PolarHBondContact O-N 2.96Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.35Å; I51-Q54 PolarHBondContact O-N 3.5Å; I51-K55 HydrophobicContact CG2-CD 3.7Å; I51-K55 HydrophobicContact CG2-CG 4.23Å; I51-K55 WeakPolarHBondContact O-CB 3.19Å; I51-K55 WeakPolarHBondContact O-CG 3.47Å; I51-K55 PolarHBondContact O-N 3.48Å; I51-F94 HydrophobicContact CG1-CD1 4.19Å; I51-F94 HydrophobicContact CG2-CB 4.11Å; I51-F94 HydrophobicContact CG2-CD1 4.23Å; I51-F94 HydrophobicContact CG2-CG 4.19Å; I51-M97 HydrophobicContact CD1-CB 3.91Å; I51-E98 HydrophobicContact CD1-CG 4.32Å; I51-E98 HydrophobicContact CG2-CG 4.02Å; I51-L101 HydrophobicContact CD1-CD1 3.81Å |
| 52 | T | 90.9 | Very high | 91.6 | Very high | 84 Ų | 84 | 85 Ų | 85 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | T48 K56 | T48-T52 WeakPolarHBondContact O-CB 3.34Å; T48-T52 PolarHBondContact O-N 3.06Å; T48-T52 PolarHBondContact O-OG1 3.3Å; T52-K56 PolarHBondContact O-N 2.99Å |
| 53 | R | 94.4 | Very high | 91.9 | Very high | 165 Ų | 165 | 83.4 Ų | 83.4 | 62% | 0.623 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 178.5 | -173.1 | -173.7 | -58.1 | -89.9 | 0.2 | 112 | S49 S50 I51 K56 R57 | S49-R53 WeakPolarHBondContact O-CB 3.39Å; S49-R53 PolarHBondContact O-N 2.9Å; S50-R53 PolarHBondContact O-N 3.4Å; I51-R53 VanDerWaalsContact C-N 3.33Å; I51-R53 PolarHBondContact O-N 3.35Å; R53-K56 PolarHBondContact O-N 2.65Å; R53-R57 PolarHBondContact O-N 2.88Å; R53-R57 VanDerWaalsContact O-N 3.15Å |
| 54 | Q | 94.8 | Very high | 91.9 | Very high | 84 Ų | 84 | 80.3 Ų | 80.3 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 177.4 | -87.2 | -79.1 | 7.2 | 0 | 0 | 111.6 | S50 I51 K56 R57 L58 F94 | S50-Q54 WeakPolarHBondContact O-CB 3.43Å; S50-Q54 PolarHBondContact O-N 3.28Å; I51-Q54 PolarHBondContact O-N 3.5Å; Q54-K56 VanDerWaalsContact C-N 3.3Å; Q54-K56 PolarHBondContact O-N 2.85Å; Q54-R57 PolarHBondContact O-N 3.46Å; Q54-R57 VanDerWaalsContact O-N 3.14Å; Q54-L58 WeakPolarHBondContact O-CD1 3.3Å; Q54-L58 PolarHBondContact O-N 3.42Å; Q54-F94 HydrophobicContact CB-CE1 4.3Å; Q54-F94 HydrophobicContact CB-CE2 3.95Å; Q54-F94 HydrophobicContact CB-CZ 3.56Å; Q54-F94 HydrophobicContact CG-CZ 4.09Å |
| 55 | K | 93.1 | Very high | 91.9 | Very high | 67 Ų | 67 | 78.7 Ų | 78.7 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57 | -43 | 176.9 | -74.9 | 175.3 | 85.2 | 170.8 | 0 | 111.7 | I51 L58 Q59 F94 E98 | I51-K55 HydrophobicContact CG2-CD 3.7Å; I51-K55 HydrophobicContact CG2-CG 4.23Å; I51-K55 WeakPolarHBondContact O-CB 3.19Å; I51-K55 WeakPolarHBondContact O-CG 3.47Å; I51-K55 PolarHBondContact O-N 3.48Å; K55-L58 PolarHBondContact O-N 2.75Å; K55-Q59 WeakPolarHBondContact O-CG 3.45Å; K55-Q59 PolarHBondContact O-N 3.17Å; K55-F94 HydrophobicContact CD-CB 4.31Å; K55-F94 HydrophobicContact CD-CD2 4.46Å; K55-F94 HydrophobicContact CG-CB 4.45Å; K55-F94 HydrophobicContact CG-CD2 3.7Å; K55-F94 HydrophobicContact CG-CE2 4.3Å; K55-F94 HydrophobicContact CG-CG 4.29Å; K55-E98 VanDerWaalsContact NZ-CD 3.32Å; K55-E98 IonicContact NZ-OE1 3.69Å; K55-E98 PolarHBondContact NZ-OE1 3.25Å; K55-E98 IonicContact NZ-OE2 2.83Å; K55-E98 PolarHBondContact NZ-OE2 3.41Å |
| 56 | K | 93.6 | Very high | 92 | Very high | 129 Ų | 129 | 82 Ų | 82 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.4 | -48.7 | 175.4 | -173.3 | -178.2 | 178.7 | -174.5 | 0 | 111.8 | T52 R53 Q54 L58 Q59 E60 | T52-K56 PolarHBondContact O-N 2.99Å; R53-K56 PolarHBondContact O-N 2.65Å; Q54-K56 VanDerWaalsContact C-N 3.3Å; Q54-K56 PolarHBondContact O-N 2.85Å; K56-L58 PolarHBondContact O-N 3.32Å; K56-Q59 WeakPolarHBondContact O-CB 3.47Å; K56-Q59 PolarHBondContact O-N 3.44Å; K56-E60 WeakPolarHBondContact CE-OE1 3.31Å; K56-E60 WeakPolarHBondContact O-CG 3.07Å; K56-E60 PolarHBondContact O-N 3.42Å |
| 57 | R | 94.6 | Very high | 92 | Very high | 160 Ų | 160 | 85.8 Ų | 85.8 | 60% | 0.604 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 177.9 | -72.3 | -175.9 | 174.9 | -165 | -1.5 | 112.5 | R53 Q54 Q59 E60 L61 | R53-R57 PolarHBondContact O-N 2.88Å; R53-R57 VanDerWaalsContact O-N 3.15Å; Q54-R57 PolarHBondContact O-N 3.46Å; Q54-R57 VanDerWaalsContact O-N 3.14Å; R57-Q59 VanDerWaalsContact C-N 3.33Å; R57-Q59 PolarHBondContact O-N 3.2Å; R57-E60 PolarHBondContact O-N 3.07Å; R57-L61 WeakPolarHBondContact O-CB 3.36Å; R57-L61 PolarHBondContact O-N 2.97Å |
| 58 | L | 93.8 | Very high | 91.7 | Very high | 8 Ų | 8 | 86.7 Ų | 86.7 | 4% | 0.042 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 174.4 | -99.1 | 82.9 | 0 | 0 | 0 | 111.5 | Q54 K55 K56 L61 A62 M87 R90 Q91 F94 | Q54-L58 WeakPolarHBondContact O-CD1 3.3Å; Q54-L58 PolarHBondContact O-N 3.42Å; K55-L58 PolarHBondContact O-N 2.75Å; K56-L58 PolarHBondContact O-N 3.32Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.41Å; L58-M87 HydrophobicContact CB-CE 4.32Å; L58-M87 HydrophobicContact CD2-CB 4.27Å; L58-M87 HydrophobicContact CD2-CG 4.5Å; L58-M87 WeakPolarHBondContact CD2-O 3.47Å; L58-M87 HydrophobicContact CG-CE 4.28Å; L58-M87 WeakPolarHBondContact O-CE 3.39Å; L58-R90 HydrophobicContact CD2-CB 4.01Å; L58-Q91 HydrophobicContact CD2-CG 4.09Å; L58-F94 HydrophobicContact CD1-CE2 4.26Å; L58-F94 HydrophobicContact CD2-CE2 4.4Å |
| 59 | Q | 92.1 | Very high | 91.4 | Very high | 119 Ų | 119 | 88.6 Ų | 88.6 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 176.2 | -75.5 | 177 | -17.1 | 0 | 0 | 112 | K55 K56 R57 L61 A62 L63 | K55-Q59 WeakPolarHBondContact O-CG 3.45Å; K55-Q59 PolarHBondContact O-N 3.17Å; K56-Q59 WeakPolarHBondContact O-CB 3.47Å; K56-Q59 PolarHBondContact O-N 3.44Å; R57-Q59 VanDerWaalsContact C-N 3.33Å; R57-Q59 PolarHBondContact O-N 3.2Å; Q59-L61 PolarHBondContact O-N 2.69Å; Q59-A62 PolarHBondContact O-N 2.97Å; Q59-L63 WeakPolarHBondContact O-CG 3.17Å; Q59-L63 PolarHBondContact O-N 2.91Å |
| 60 | E | 94.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 90.8 Ų | 90.8 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.5 | -71.5 | 169 | -177.1 | 0 | 0 | 111.5 | K56 R57 A62 L63 A64 | K56-E60 WeakPolarHBondContact CE-OE1 3.31Å; K56-E60 WeakPolarHBondContact O-CG 3.07Å; K56-E60 PolarHBondContact O-N 3.42Å; R57-E60 PolarHBondContact O-N 3.07Å; E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 PolarHBondContact O-N 3.26Å; E60-L63 PolarHBondContact O-N 3.35Å; E60-A64 PolarHBondContact O-N 3.25Å |
| 61 | L | 91.7 | Very high | 90.3 | Very high | 79 Ų | 79 | 92.2 Ų | 92.2 | 41% | 0.414 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 177 | -175.9 | 63.7 | 0 | 0 | 0 | 111.9 | R57 L58 Q59 L63 A64 L65 M87 | R57-L61 WeakPolarHBondContact O-CB 3.36Å; R57-L61 PolarHBondContact O-N 2.97Å; L58-L61 PolarHBondContact O-N 3.33Å; Q59-L61 PolarHBondContact O-N 2.69Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 3.45Å; L61-A64 PolarHBondContact O-N 2.87Å; L61-L65 WeakPolarHBondContact O-CB 3.34Å; L61-L65 PolarHBondContact O-N 3.4Å; L61-M87 HydrophobicContact CB-CE 3.78Å; L61-M87 HydrophobicContact CD2-CE 3.93Å; L61-M87 HydrophobicContact CD2-SD 3.94Å; L61-M87 HydrophobicContact CG-CE 3.89Å; L61-M87 HydrophobicContact CG-SD 4.12Å |
| 62 | A | 91 | Very high | 89.8 | Confident | 42 Ų | 42 | 94.4 Ų | 94.4 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L58 Q59 E60 K66 M87 | L58-A62 WeakPolarHBondContact O-CB 3.41Å; L58-A62 PolarHBondContact O-N 3.41Å; Q59-A62 PolarHBondContact O-N 2.97Å; E60-A62 VanDerWaalsContact C-N 3.34Å; E60-A62 PolarHBondContact O-N 3.26Å; A62-K66 WeakPolarHBondContact O-CB 3.3Å; A62-K66 PolarHBondContact O-N 3.43Å; A62-M87 HydrophobicContact CB-CE 3.71Å |
| 63 | L | 92.1 | Very high | 89.3 | Confident | 109 Ų | 109 | 94.5 Ų | 94.5 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 174.1 | -70.7 | 170.2 | 0 | 0 | 0 | 111.8 | Q59 E60 L61 K66 K67 | Q59-L63 WeakPolarHBondContact O-CG 3.17Å; Q59-L63 PolarHBondContact O-N 2.91Å; E60-L63 PolarHBondContact O-N 3.35Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 3.45Å; L63-K66 PolarHBondContact O-N 3.26Å; L63-K67 WeakPolarHBondContact O-CG 3.39Å; L63-K67 PolarHBondContact O-N 2.91Å; L63-K67 VanDerWaalsContact O-N 3.15Å |
| 64 | A | 91.1 | Very high | 88.6 | Confident | 48 Ų | 48 | 90.8 Ų | 90.8 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E60 L61 K66 K67 C68 | E60-A64 PolarHBondContact O-N 3.25Å; L61-A64 PolarHBondContact O-N 2.87Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 3.42Å; A64-K67 WeakPolarHBondContact O-CB 3.15Å; A64-K67 PolarHBondContact O-N 2.98Å; A64-K67 VanDerWaalsContact O-N 3.11Å; A64-C68 PolarHBondContact O-N 3.33Å; A64-C68 PolarHBondContact O-SG 3.02Å; A64-C68 VanDerWaalsContact O-SG 3.4Å |
| 65 | L | 88.9 | Confident | 87.7 | Confident | 24 Ų | 24 | 96 Ų | 96 | 13% | 0.126 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 177.6 | -173.1 | 65.3 | 0 | 0 | 0 | 111.5 | L61 K67 C68 K69 A80 L83 E84 | L61-L65 WeakPolarHBondContact O-CB 3.34Å; L61-L65 PolarHBondContact O-N 3.4Å; L65-K67 VanDerWaalsContact C-N 3.27Å; L65-K67 PolarHBondContact O-N 3.03Å; L65-C68 PolarHBondContact O-N 2.98Å; L65-K69 PolarHBondContact O-N 3.41Å; L65-A80 HydrophobicContact CD1-CB 3.99Å; L65-L83 HydrophobicContact CD1-CD2 4.27Å; L65-L83 HydrophobicContact CD2-CD2 4.36Å; L65-E84 HydrophobicContact CD2-CB 4.27Å |
| 66 | K | 88.3 | Confident | 87.2 | Confident | 162 Ų | 162 | 94.4 Ų | 94.4 | 70% | 0.704 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.6 | -33.6 | 176.8 | -169.9 | 175.9 | -179.1 | 179.4 | 0 | 112.7 | A62 L63 A64 | A62-K66 WeakPolarHBondContact O-CB 3.3Å; A62-K66 PolarHBondContact O-N 3.43Å; L63-K66 PolarHBondContact O-N 3.26Å; A64-K66 VanDerWaalsContact C-N 3.33Å; A64-K66 PolarHBondContact O-N 3.42Å |
| 67 | K | 89.8 | Confident | 86.6 | Confident | 169 Ų | 169 | 93.3 Ų | 93.3 | 74% | 0.735 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74 | -33.6 | 176 | -72.9 | 177.1 | -180 | -176.9 | 0 | 113 | L63 A64 L65 P70 | L63-K67 WeakPolarHBondContact O-CG 3.39Å; L63-K67 PolarHBondContact O-N 2.91Å; L63-K67 VanDerWaalsContact O-N 3.15Å; A64-K67 WeakPolarHBondContact O-CB 3.15Å; A64-K67 PolarHBondContact O-N 2.98Å; A64-K67 VanDerWaalsContact O-N 3.11Å; L65-K67 VanDerWaalsContact C-N 3.27Å; L65-K67 PolarHBondContact O-N 3.03Å; K67-P70 WeakPolarHBondContact O-CD 3.08Å |
| 68 | C | 86.1 | Confident | 86.2 | Confident | 67 Ų | 67 | 88 Ų | 88 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83.9 | -22.5 | 179.9 | -62.2 | 0 | 0 | 0 | 0 | 113.6 | A64 L65 S71 L72 | A64-C68 PolarHBondContact O-N 3.33Å; A64-C68 PolarHBondContact O-SG 3.02Å; A64-C68 VanDerWaalsContact O-SG 3.4Å; L65-C68 PolarHBondContact O-N 2.98Å; C68-S71 PolarHBondContact O-N 2.92Å; C68-S71 VanDerWaalsContact O-N 3.12Å; C68-S71 PolarHBondContact O-OG 2.84Å; C68-L72 HydrophobicContact CB-CD1 4.37Å; C68-L72 WeakPolarHBondContact O-CG 3.32Å; C68-L72 PolarHBondContact O-N 3.49Å |
| 69 | K | 82.1 | Confident | 85.9 | Confident | 93 Ų | 93 | 91 Ų | 91 | 40% | 0.404 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -49.2 | -42.1 | -179 | -146.9 | 168.4 | -175 | 170.3 | 0 | 115 | L65 S71 E84 | L65-K69 PolarHBondContact O-N 3.41Å; K69-S71 VanDerWaalsContact C-N 3.28Å; K69-S71 PolarHBondContact O-N 3.14Å; K69-E84 IonicContact NZ-OE2 2.89Å; K69-E84 PolarHBondContact NZ-OE2 3.48Å |
| 70 | P | 81.2 | Confident | 85.7 | Confident | 115 Ų | 115 | 85.7 Ų | 85.7 | 75% | 0.747 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -71.8 | -17.5 | -178.4 | -16.2 | 30.6 | 0 | 0 | 0 | 115 | K67 | K67-P70 WeakPolarHBondContact O-CD 3.08Š|
| 71 | S | 80.2 | Confident | 85.4 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 70% | 0.699 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -112.6 | 9.1 | -173.9 | 36.1 | 0 | 0 | 0 | 0 | 112.9 | C68 K69 | C68-S71 PolarHBondContact O-N 2.92Å; C68-S71 VanDerWaalsContact O-N 3.12Å; C68-S71 PolarHBondContact O-OG 2.84Å; K69-S71 VanDerWaalsContact C-N 3.28Å; K69-S71 PolarHBondContact O-N 3.14Å |
| 72 | L | 81.5 | Confident | 85.4 | Confident | 53 Ų | 53 | 87.3 Ų | 87.3 | 28% | 0.277 | 50% | 0.504 | S | S | . | . | trans | -83.4 | 138.4 | -178.3 | -91.6 | 155.1 | 0 | 0 | 0 | 111.7 | C68 A76 A80 | C68-L72 HydrophobicContact CB-CD1 4.37Å; C68-L72 WeakPolarHBondContact O-CG 3.32Å; C68-L72 PolarHBondContact O-N 3.49Å; L72-A76 HydrophobicContact CD2-CB 3.44Å; L72-A76 VanDerWaalsContact CD2-CB 3.44Å; L72-A80 HydrophobicContact CD1-CB 4.11Å | ||
| 73 | P | 80.7 | Confident | 85.4 | Confident | 86 Ų | 86 | 88.3 Ų | 88.3 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | trans | -63.6 | 151.1 | 169.4 | -18.5 | 30.7 | 0 | 0 | 0 | 111.7 | E75 A76 E77 | P73-E75 PolarHBondContact O-N 3.41Å; P73-E75 VanDerWaalsContact O-N 3.11Å; P73-A76 PolarHBondContact O-N 2.94Å; P73-E77 PolarHBondContact O-N 3.36Å | ||
| 74 | A | 78.7 | Confident | 85.3 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 72% | 0.719 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55 | -31.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | A76 | A74-A76 VanDerWaalsContact C-N 3.34Å |
| 75 | E | 76.6 | Confident | 85.3 | Confident | 193 Ų | 193 | 87.3 Ų | 87.3 | 90% | 0.902 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71 | -26.7 | 175.4 | -71.9 | -177.8 | 150.5 | 0 | 0 | 113.6 | P73 | P73-E75 PolarHBondContact O-N 3.41Å; P73-E75 VanDerWaalsContact O-N 3.11Å |
| 76 | A | 81.7 | Confident | 85.5 | Confident | 33 Ų | 33 | 89.6 Ų | 89.6 | 27% | 0.273 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -91.8 | -11 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L72 P73 A74 G78 A79 A80 | L72-A76 HydrophobicContact CD2-CB 3.44Å; L72-A76 VanDerWaalsContact CD2-CB 3.44Å; P73-A76 PolarHBondContact O-N 2.94Å; A74-A76 VanDerWaalsContact C-N 3.34Å; A76-G78 VanDerWaalsContact C-N 3.33Å; A76-G78 PolarHBondContact O-N 2.85Å; A76-A79 PolarHBondContact O-N 2.92Å; A76-A80 PolarHBondContact O-N 2.97Å; A76-A80 VanDerWaalsContact O-N 3.08Å |
| 77 | E | 82.4 | Confident | 85.7 | Confident | 106 Ų | 106 | 82.4 Ų | 82.4 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 175.2 | -75.4 | -169.7 | 141.3 | 0 | 0 | 112.4 | P73 A79 A80 Q81 | P73-E77 PolarHBondContact O-N 3.36Å; E77-A79 PolarHBondContact O-N 3.31Å; E77-A80 PolarHBondContact O-N 3.38Å; E77-Q81 WeakPolarHBondContact O-CB 3.42Å; E77-Q81 PolarHBondContact O-N 3Å |
| 78 | G | 86.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A76 Q81 E82 | A76-G78 VanDerWaalsContact C-N 3.33Å; A76-G78 PolarHBondContact O-N 2.85Å; G78-Q81 PolarHBondContact O-N 2.9Å; G78-E82 PolarHBondContact O-N 3.39Å |
| 79 | A | 87.3 | Confident | 86.1 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.6 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A76 E77 L83 | A76-A79 PolarHBondContact O-N 2.92Å; E77-A79 PolarHBondContact O-N 3.31Å; A79-L83 WeakPolarHBondContact O-CB 3.28Å; A79-L83 PolarHBondContact O-N 2.88Å |
| 80 | A | 86.7 | Confident | 86.6 | Confident | 9 Ų | 9 | 84.3 Ų | 84.3 | 7% | 0.074 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L65 L72 A76 E77 E84 | L65-A80 HydrophobicContact CD1-CB 3.99Å; L72-A80 HydrophobicContact CD1-CB 4.11Å; A76-A80 PolarHBondContact O-N 2.97Å; A76-A80 VanDerWaalsContact O-N 3.08Å; E77-A80 PolarHBondContact O-N 3.38Å; A80-E84 PolarHBondContact O-N 2.79Å |
| 81 | Q | 88.9 | Confident | 87.1 | Confident | 120 Ų | 120 | 83.1 Ų | 83.1 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.2 | -41.1 | 178.1 | -168.3 | 166.4 | 9.9 | 0 | 0 | 112.1 | E77 G78 E84 N85 | E77-Q81 WeakPolarHBondContact O-CB 3.42Å; E77-Q81 PolarHBondContact O-N 3Å; G78-Q81 PolarHBondContact O-N 2.9Å; Q81-E84 WeakPolarHBondContact O-CB 3.47Å; Q81-E84 PolarHBondContact O-N 3.5Å; Q81-N85 PolarHBondContact O-N 3.31Å |
| 82 | E | 91.8 | Very high | 87.5 | Confident | 98 Ų | 98 | 80.1 Ų | 80.1 | 46% | 0.458 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 173.5 | 177.3 | 53.4 | -152.3 | 0 | 0 | 111.6 | G78 E84 N85 Q86 | G78-E82 PolarHBondContact O-N 3.39Å; E82-E84 VanDerWaalsContact C-N 3.32Å; E82-E84 PolarHBondContact O-N 3.2Å; E82-N85 PolarHBondContact O-N 3.44Å; E82-Q86 WeakPolarHBondContact O-CG 3.3Å; E82-Q86 PolarHBondContact O-N 3.29Å; E82-Q86 PolarHBondContact OE1-NE2 3.35Å |
| 83 | L | 90.2 | Very high | 88 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 33% | 0.33 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 174.9 | -177.7 | 62.2 | 0 | 0 | 0 | 111.7 | L65 A79 N85 Q86 M87 | L65-L83 HydrophobicContact CD1-CD2 4.27Å; L65-L83 HydrophobicContact CD2-CD2 4.36Å; A79-L83 WeakPolarHBondContact O-CB 3.28Å; A79-L83 PolarHBondContact O-N 2.88Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 3.4Å; L83-Q86 PolarHBondContact O-N 2.72Å; L83-M87 HydrophobicContact CG-SD 4.15Å; L83-M87 WeakPolarHBondContact O-CB 3.38Å; L83-M87 WeakPolarHBondContact O-CG 3.42Å; L83-M87 PolarHBondContact O-N 2.75Å |
| 84 | E | 89.9 | Confident | 88.5 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 27% | 0.266 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.8 | -160.5 | -173.1 | 139.6 | 0 | 0 | 112 | L65 K69 A80 Q81 E82 M87 K88 | L65-E84 HydrophobicContact CD2-CB 4.27Å; K69-E84 IonicContact NZ-OE2 2.89Å; K69-E84 PolarHBondContact NZ-OE2 3.48Å; A80-E84 PolarHBondContact O-N 2.79Å; Q81-E84 WeakPolarHBondContact O-CB 3.47Å; Q81-E84 PolarHBondContact O-N 3.5Å; E82-E84 VanDerWaalsContact C-N 3.32Å; E82-E84 PolarHBondContact O-N 3.2Å; E84-M87 PolarHBondContact O-N 3.49Å; E84-K88 WeakPolarHBondContact O-CG 3.41Å; E84-K88 PolarHBondContact O-N 3.08Å; E84-K88 VanDerWaalsContact O-N 3.08Å; E84-K88 WeakPolarHBondContact OE1-CE 3.41Å; E84-K88 IonicContact OE1-NZ 2.79Å; E84-K88 PolarHBondContact OE1-NZ 3.43Å |
| 85 | N | 92.3 | Very high | 88.9 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 43% | 0.428 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 176.8 | -70.1 | -20.2 | 0 | 0 | 0 | 111.6 | Q81 E82 L83 M87 K88 E89 | Q81-N85 PolarHBondContact O-N 3.31Å; E82-N85 PolarHBondContact O-N 3.44Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 PolarHBondContact O-N 3.4Å; N85-M87 PolarHBondContact O-N 2.95Å; N85-K88 PolarHBondContact O-N 3.45Å; N85-K88 VanDerWaalsContact O-N 3.09Å; N85-E89 PolarHBondContact O-N 3.28Å |
| 86 | Q | 93.6 | Very high | 89.5 | Confident | 71 Ų | 71 | 76.9 Ų | 76.9 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.2 | -35.6 | 176.3 | -69.2 | -177.5 | 22.7 | 0 | 0 | 112.1 | E82 L83 R90 | E82-Q86 WeakPolarHBondContact O-CG 3.3Å; E82-Q86 PolarHBondContact O-N 3.29Å; E82-Q86 PolarHBondContact OE1-NE2 3.35Å; L83-Q86 PolarHBondContact O-N 2.72Å; Q86-R90 WeakPolarHBondContact O-CB 3.48Å; Q86-R90 VanDerWaalsContact O-CG 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.47Å; Q86-R90 PolarHBondContact O-N 2.98Å |
| 87 | M | 91 | Very high | 89.8 | Confident | 12 Ų | 12 | 79.8 Ų | 79.8 | 6% | 0.059 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 175.5 | -70.5 | 175 | 79.3 | 0 | 0 | 112 | L58 L61 A62 L83 E84 N85 Q91 | L58-M87 HydrophobicContact CB-CE 4.32Å; L58-M87 HydrophobicContact CD2-CB 4.27Å; L58-M87 HydrophobicContact CD2-CG 4.5Å; L58-M87 WeakPolarHBondContact CD2-O 3.47Å; L58-M87 HydrophobicContact CG-CE 4.28Å; L58-M87 WeakPolarHBondContact O-CE 3.39Å; L61-M87 HydrophobicContact CB-CE 3.78Å; L61-M87 HydrophobicContact CD2-CE 3.93Å; L61-M87 HydrophobicContact CD2-SD 3.94Å; L61-M87 HydrophobicContact CG-CE 3.89Å; L61-M87 HydrophobicContact CG-SD 4.12Å; A62-M87 HydrophobicContact CB-CE 3.71Å; L83-M87 HydrophobicContact CG-SD 4.15Å; L83-M87 WeakPolarHBondContact O-CB 3.38Å; L83-M87 WeakPolarHBondContact O-CG 3.42Å; L83-M87 PolarHBondContact O-N 2.75Å; E84-M87 PolarHBondContact O-N 3.49Å; N85-M87 PolarHBondContact O-N 2.95Å; M87-Q91 WeakPolarHBondContact O-CG 3.24Å; M87-Q91 PolarHBondContact O-N 3.35Å |
| 88 | K | 91.1 | Very high | 89.9 | Confident | 112 Ų | 112 | 78 Ų | 78 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.7 | -43.5 | 175.7 | -73.5 | 172.8 | -173.9 | 160.9 | 0 | 111.9 | E84 N85 R90 Q91 G92 | E84-K88 WeakPolarHBondContact O-CG 3.41Å; E84-K88 PolarHBondContact O-N 3.08Å; E84-K88 VanDerWaalsContact O-N 3.08Å; E84-K88 WeakPolarHBondContact OE1-CE 3.41Å; E84-K88 IonicContact OE1-NZ 2.79Å; E84-K88 PolarHBondContact OE1-NZ 3.43Å; N85-K88 PolarHBondContact O-N 3.45Å; N85-K88 VanDerWaalsContact O-N 3.09Å; K88-R90 PolarHBondContact O-N 2.91Å; K88-Q91 WeakPolarHBondContact O-CB 3.4Å; K88-Q91 PolarHBondContact O-N 3.47Å; K88-G92 PolarHBondContact O-N 3.42Å |
| 89 | E | 93.8 | Very high | 89.8 | Confident | 132 Ų | 132 | 78.6 Ų | 78.6 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.1 | -48.2 | 176.1 | -173.9 | -174.9 | -173.9 | 0 | 0 | 111.2 | N85 Q91 G92 L93 | N85-E89 PolarHBondContact O-N 3.28Å; E89-Q91 VanDerWaalsContact C-N 3.28Å; E89-Q91 PolarHBondContact O-N 2.87Å; E89-G92 WeakPolarHBondContact O-CA 3.42Å; E89-G92 PolarHBondContact O-N 3Å; E89-L93 PolarHBondContact O-N 3.02Å |
| 90 | R | 92.8 | Very high | 89.6 | Confident | 125 Ų | 125 | 85 Ų | 85 | 47% | 0.472 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.6 | -35.7 | 175.6 | -73.9 | 178.9 | -172.7 | 179.9 | 6.6 | 112.8 | L58 Q86 K88 L93 F94 | L58-R90 HydrophobicContact CD2-CB 4.01Å; Q86-R90 WeakPolarHBondContact O-CB 3.48Å; Q86-R90 VanDerWaalsContact O-CG 3.29Å; Q86-R90 WeakPolarHBondContact O-CG 3.47Å; Q86-R90 PolarHBondContact O-N 2.98Å; K88-R90 PolarHBondContact O-N 2.91Å; R90-L93 PolarHBondContact O-N 3.36Å; R90-F94 HydrophobicContact CB-CE2 4.41Å; R90-F94 WeakPolarHBondContact O-CD2 3.42Å; R90-F94 VanDerWaalsContact O-CG 3.27Å; R90-F94 WeakPolarHBondContact O-CG 3.28Å; R90-F94 PolarHBondContact O-N 3.27Å |
| 91 | Q | 90.8 | Very high | 89.4 | Confident | 90 Ų | 90 | 85.8 Ų | 85.8 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 173.6 | -77.2 | 178.7 | -8.6 | 0 | 0 | 112.2 | L58 M87 K88 E89 F94 F95 | L58-Q91 HydrophobicContact CD2-CG 4.09Å; M87-Q91 WeakPolarHBondContact O-CG 3.24Å; M87-Q91 PolarHBondContact O-N 3.35Å; K88-Q91 WeakPolarHBondContact O-CB 3.4Å; K88-Q91 PolarHBondContact O-N 3.47Å; E89-Q91 VanDerWaalsContact C-N 3.28Å; E89-Q91 PolarHBondContact O-N 2.87Å; Q91-F94 PolarHBondContact O-N 3.03Å; Q91-F95 PolarHBondContact O-N 2.79Å; Q91-F95 VanDerWaalsContact O-N 3.08Å |
| 92 | G | 89.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 83.5 Ų | 83.5 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | K88 E89 F94 F95 D96 | K88-G92 PolarHBondContact O-N 3.42Å; E89-G92 WeakPolarHBondContact O-CA 3.42Å; E89-G92 PolarHBondContact O-N 3Å; G92-F94 VanDerWaalsContact C-N 3.3Å; G92-F94 PolarHBondContact O-N 3.31Å; G92-F95 WeakPolarHBondContact O-CB 3.41Å; G92-F95 PolarHBondContact O-N 3.36Å; G92-D96 PolarHBondContact O-N 3.19Å |
| 93 | L | 91.3 | Very high | 86.9 | Confident | 85 Ų | 85 | 85.7 Ų | 85.7 | 45% | 0.445 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 176.8 | -68 | 173 | 0 | 0 | 0 | 112.7 | E89 R90 F95 D96 M97 | E89-L93 PolarHBondContact O-N 3.02Å; R90-L93 PolarHBondContact O-N 3.36Å; L93-F95 VanDerWaalsContact C-N 3.33Å; L93-D96 PolarHBondContact O-N 3.22Å; L93-M97 WeakPolarHBondContact O-CB 3.25Å; L93-M97 VanDerWaalsContact O-CG 3.26Å; L93-M97 WeakPolarHBondContact O-CG 3.32Å; L93-M97 PolarHBondContact O-N 2.89Å |
| 94 | F | 92.3 | Very high | 85.2 | Confident | 26 Ų | 26 | 90.5 Ų | 90.5 | 11% | 0.114 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 174.7 | -66.6 | -36.1 | 0 | 0 | 0 | 112.6 | I51 Q54 K55 L58 R90 Q91 G92 M97 E98 | I51-F94 HydrophobicContact CG1-CD1 4.19Å; I51-F94 HydrophobicContact CG2-CB 4.11Å; I51-F94 HydrophobicContact CG2-CD1 4.23Å; I51-F94 HydrophobicContact CG2-CG 4.19Å; Q54-F94 HydrophobicContact CB-CE1 4.3Å; Q54-F94 HydrophobicContact CB-CE2 3.95Å; Q54-F94 HydrophobicContact CB-CZ 3.56Å; Q54-F94 HydrophobicContact CG-CZ 4.09Å; K55-F94 HydrophobicContact CD-CB 4.31Å; K55-F94 HydrophobicContact CD-CD2 4.46Å; K55-F94 HydrophobicContact CG-CB 4.45Å; K55-F94 HydrophobicContact CG-CD2 3.7Å; K55-F94 HydrophobicContact CG-CE2 4.3Å; K55-F94 HydrophobicContact CG-CG 4.29Å; L58-F94 HydrophobicContact CD1-CE2 4.26Å; L58-F94 HydrophobicContact CD2-CE2 4.4Å; R90-F94 HydrophobicContact CB-CE2 4.41Å; R90-F94 WeakPolarHBondContact O-CD2 3.42Å; R90-F94 VanDerWaalsContact O-CG 3.27Å; R90-F94 WeakPolarHBondContact O-CG 3.28Å; R90-F94 PolarHBondContact O-N 3.27Å; Q91-F94 PolarHBondContact O-N 3.03Å; G92-F94 VanDerWaalsContact C-N 3.3Å; G92-F94 PolarHBondContact O-N 3.31Å; F94-M97 HydrophobicContact CD1-SD 4.44Å; F94-M97 PolarHBondContact O-N 3.4Å; F94-E98 WeakPolarHBondContact O-CB 3.49Å; F94-E98 VanDerWaalsContact O-CG 3.3Å; F94-E98 WeakPolarHBondContact O-CG 3.37Å; F94-E98 PolarHBondContact O-N 3.11Å |
| 95 | F | 87.5 | Confident | 83.3 | Confident | 149 Ų | 149 | 92.7 Ų | 92.7 | 65% | 0.654 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 176.2 | -178.7 | -95.5 | 0 | 0 | 0 | 111.4 | Q91 G92 L93 E98 A99 | Q91-F95 PolarHBondContact O-N 2.79Å; Q91-F95 VanDerWaalsContact O-N 3.08Å; G92-F95 WeakPolarHBondContact O-CB 3.41Å; G92-F95 PolarHBondContact O-N 3.36Å; L93-F95 VanDerWaalsContact C-N 3.33Å; F95-E98 PolarHBondContact O-N 2.73Å; F95-A99 PolarHBondContact O-N 2.99Å; F95-A99 VanDerWaalsContact O-N 3.1Å |
| 96 | D | 87.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 91.5 Ų | 91.5 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 176 | -68.2 | -21.6 | 0 | 0 | 0 | 111.1 | G92 L93 E98 A99 Y100 | G92-D96 PolarHBondContact O-N 3.19Å; L93-D96 PolarHBondContact O-N 3.22Å; D96-E98 VanDerWaalsContact C-N 3.33Å; D96-E98 PolarHBondContact O-N 3.49Å; D96-A99 WeakPolarHBondContact O-CB 3.45Å; D96-A99 PolarHBondContact O-N 3.46Å; D96-A99 VanDerWaalsContact O-N 3.1Å; D96-Y100 WeakPolarHBondContact O-CD2 3.47Å |
| 97 | M | 88.7 | Confident | 79.7 | Confident | 95 Ų | 95 | 95 Ų | 95 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 176.3 | -71.3 | 178.3 | -176 | 0 | 0 | 112.5 | I51 L93 F94 A99 Y100 L101 | I51-M97 HydrophobicContact CD1-CB 3.91Å; L93-M97 WeakPolarHBondContact O-CB 3.25Å; L93-M97 VanDerWaalsContact O-CG 3.26Å; L93-M97 WeakPolarHBondContact O-CG 3.32Å; L93-M97 PolarHBondContact O-N 2.89Å; F94-M97 HydrophobicContact CD1-SD 4.44Å; F94-M97 PolarHBondContact O-N 3.4Å; M97-A99 PolarHBondContact O-N 3.01Å; M97-Y100 PolarHBondContact O-N 2.95Å; M97-L101 PolarHBondContact O-N 3.38Å |
| 98 | E | 85 | Confident | 78.4 | Confident | 67 Ų | 67 | 96.4 Ų | 96.4 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -25.1 | 176.5 | -76.6 | 176.1 | 134.1 | 0 | 0 | 112.8 | I51 K55 F94 F95 D96 Y100 L101 | I51-E98 HydrophobicContact CD1-CG 4.32Å; I51-E98 HydrophobicContact CG2-CG 4.02Å; K55-E98 VanDerWaalsContact NZ-CD 3.32Å; K55-E98 IonicContact NZ-OE1 3.69Å; K55-E98 PolarHBondContact NZ-OE1 3.25Å; K55-E98 IonicContact NZ-OE2 2.83Å; K55-E98 PolarHBondContact NZ-OE2 3.41Å; F94-E98 WeakPolarHBondContact O-CB 3.49Å; F94-E98 VanDerWaalsContact O-CG 3.3Å; F94-E98 WeakPolarHBondContact O-CG 3.37Å; F94-E98 PolarHBondContact O-N 3.11Å; F95-E98 PolarHBondContact O-N 2.73Å; D96-E98 VanDerWaalsContact C-N 3.33Å; D96-E98 PolarHBondContact O-N 3.49Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-L101 PolarHBondContact O-N 2.92Å |
| 99 | A | 84.5 | Confident | 77.4 | Confident | 61 Ų | 61 | 94.7 Ų | 94.7 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.6 | -30.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | F95 D96 M97 | F95-A99 PolarHBondContact O-N 2.99Å; F95-A99 VanDerWaalsContact O-N 3.1Å; D96-A99 WeakPolarHBondContact O-CB 3.45Å; D96-A99 PolarHBondContact O-N 3.46Å; D96-A99 VanDerWaalsContact O-N 3.1Å; M97-A99 PolarHBondContact O-N 3.01Å |
| 100 | Y | 81.6 | Confident | 76.4 | Confident | 205 Ų | 205 | 90.7 Ų | 90.7 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -87 | -18.6 | 177 | -64 | -76.5 | 0 | 0 | 0 | 113.5 | D96 M97 E98 | D96-Y100 WeakPolarHBondContact O-CD2 3.47Å; M97-Y100 PolarHBondContact O-N 2.95Å; E98-Y100 VanDerWaalsContact C-N 3.34Å |
| 101 | L | 83.1 | Confident | 75.6 | Confident | 26 Ų | 26 | 88.1 Ų | 88.1 | 14% | 0.136 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -70.7 | 143.1 | 170.6 | -69.7 | 172.4 | 0 | 0 | 0 | 108.9 | Q44 C47 I51 M97 E98 K103 | Q44-L101 HydrophobicContact CB-CD2 4.28Å; Q44-L101 HydrophobicContact CG-CD2 4.16Å; C47-L101 HydrophobicContact CB-CD1 4.24Å; C47-L101 HydrophobicContact CB-CD2 3.97Å; I51-L101 HydrophobicContact CD1-CD1 3.81Å; M97-L101 PolarHBondContact O-N 3.38Å; E98-L101 PolarHBondContact O-N 2.92Å; L101-K103 PolarHBondContact O-N 3.34Å |
| 102 | P | 68.8 | Low | 75.2 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 47% | 0.474 | 46% | 0.459 | S | S | . | . | trans | -56.8 | 113.1 | 174.9 | 25.5 | -33.8 | 0 | 0 | 0 | 107.1 | Q44 K104 | Q44-P102 HydrophobicContact CB-CG 4.45Å; Q44-P102 VanDerWaalsContact CD-CD 3.49Å; Q44-P102 VanDerWaalsContact CD-CG 3.41Å; Q44-P102 HydrophobicContact CG-CG 4.04Å; P102-K104 PolarHBondContact O-N 3.48Å | ||
| 103 | K | 60.1 | Low | 74.9 | Confident | 144 Ų | 144 | 88.1 Ų | 88.1 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | trans | -52.6 | 140.6 | 167.8 | -66.3 | -175.5 | 175.5 | 179 | 0 | 105.9 | L101 N105 | L101-K103 PolarHBondContact O-N 3.34Å; K103-N105 HydrophobicContact CB-CB 4.47Å; K103-N105 VanDerWaalsContact CB-CG 3.45Å; K103-N105 WeakPolarHBondContact CB-OD1 3.47Å; K103-N105 PolarHBondContact O-N 2.88Å | ||
| 104 | K | 54.4 | Low | 74.4 | Confident | 164 Ų | 164 | 88.8 Ų | 88.8 | 71% | 0.713 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 34.1 | 174.1 | -74.1 | -177.8 | 174.3 | 178.7 | 0 | 112.7 | P102 G106 F107 A108 | P102-K104 PolarHBondContact O-N 3.48Å; K104-G106 VanDerWaalsContact C-N 3.26Å; K104-G106 PolarHBondContact O-N 3.35Å; K104-F107 HydrophobicContact CB-CB 4.47Å; K104-F107 HydrophobicContact CB-CD2 4.24Å; K104-F107 HydrophobicContact CG-CD2 4.34Å; K104-F107 WeakPolarHBondContact O-CA 3.38Å; K104-F107 WeakPolarHBondContact O-CB 3.34Å; K104-F107 PolarHBondContact O-N 3.49Å; K104-A108 PolarHBondContact O-N 2.99Å; K104-A108 VanDerWaalsContact O-N 3.07Å |
| 105 | N | 50.5 | Low | 74.1 | Confident | 103 Ų | 103 | 93.3 Ų | 93.3 | 55% | 0.551 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.8 | -27.2 | -176.1 | -66 | -0.7 | 0 | 0 | 0 | 111.9 | K103 F107 A108 Y109 | K103-N105 HydrophobicContact CB-CB 4.47Å; K103-N105 VanDerWaalsContact CB-CG 3.45Å; K103-N105 WeakPolarHBondContact CB-OD1 3.47Å; K103-N105 PolarHBondContact O-N 2.88Å; N105-F107 VanDerWaalsContact C-N 3.25Å; N105-F107 PolarHBondContact O-N 3.45Å; N105-A108 PolarHBondContact O-N 3.35Å; N105-Y109 PolarHBondContact O-N 3.41Å |
| 106 | G | 53 | Low | 74 | Confident | 54 Ų | 54 | 88 Ų | 88 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.6 | -29.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K104 | K104-G106 VanDerWaalsContact C-N 3.26Å; K104-G106 PolarHBondContact O-N 3.35Å |
| 107 | F | 55.9 | Low | 74 | Confident | 145 Ų | 145 | 87.3 Ų | 87.3 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -82.6 | -26.7 | 171.8 | -70.2 | -79.5 | 0 | 0 | 0 | 112.6 | K104 N105 K110 D111 | K104-F107 HydrophobicContact CB-CB 4.47Å; K104-F107 HydrophobicContact CB-CD2 4.24Å; K104-F107 HydrophobicContact CG-CD2 4.34Å; K104-F107 WeakPolarHBondContact O-CA 3.38Å; K104-F107 WeakPolarHBondContact O-CB 3.34Å; K104-F107 PolarHBondContact O-N 3.49Å; N105-F107 VanDerWaalsContact C-N 3.25Å; N105-F107 PolarHBondContact O-N 3.45Å; F107-K110 PolarHBondContact O-N 3.02Å; F107-D111 WeakPolarHBondContact O-CB 3.46Å; F107-D111 PolarHBondContact O-N 3.43Å |
| 108 | A | 64 | Low | 73.9 | Confident | 41 Ų | 41 | 88 Ų | 88 | 34% | 0.339 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.2 | -49.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K104 N105 K110 D111 E112 | K104-A108 PolarHBondContact O-N 2.99Å; K104-A108 VanDerWaalsContact O-N 3.07Å; N105-A108 PolarHBondContact O-N 3.35Å; A108-K110 VanDerWaalsContact C-N 3.32Å; A108-K110 PolarHBondContact O-N 3.02Å; A108-D111 PolarHBondContact O-N 3.28Å; A108-E112 WeakPolarHBondContact O-CB 3.37Å; A108-E112 WeakPolarHBondContact O-CG 3.38Å; A108-E112 PolarHBondContact O-N 2.97Å |
| 109 | Y | 70.1 | Confident | 74 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 30% | 0.302 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 177.7 | -170.1 | -109.7 | 0 | 0 | 0 | 112.2 | N105 Y113 I161 L162 | N105-Y109 PolarHBondContact O-N 3.41Å; Y109-Y113 VanDerWaalsContact O-CB 3.28Å; Y109-Y113 WeakPolarHBondContact O-CB 3.39Å; Y109-Y113 PolarHBondContact O-N 3.14Å; Y109-I161 HydrophobicContact CE1-CB 4.21Å; Y109-I161 HydrophobicContact CE1-CG2 3.73Å; Y109-L162 HydrophobicContact CD1-CD1 4.22Å; Y109-L162 HydrophobicContact CD1-CD2 3.54Å; Y109-L162 HydrophobicContact CD1-CG 3.59Å; Y109-L162 HydrophobicContact CE1-CD1 4.2Å; Y109-L162 HydrophobicContact CE1-CD2 4.19Å; Y109-L162 HydrophobicContact CE1-CG 3.69Å |
| 110 | K | 72.7 | Confident | 74 | Confident | 47 Ų | 47 | 90 Ų | 90 | 20% | 0.204 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 174.3 | -177.7 | 167.6 | 179.2 | 164.1 | 0 | 112.3 | F107 A108 Y113 E114 L162 R168 | F107-K110 PolarHBondContact O-N 3.02Å; A108-K110 VanDerWaalsContact C-N 3.32Å; A108-K110 PolarHBondContact O-N 3.02Å; K110-Y113 WeakPolarHBondContact O-CB 3.48Å; K110-Y113 PolarHBondContact O-N 3.41Å; K110-E114 WeakPolarHBondContact CE-OE1 3.35Å; K110-E114 WeakPolarHBondContact O-CG 3.35Å; K110-E114 PolarHBondContact O-N 3.26Å; K110-L162 HydrophobicContact CB-CD2 3.95Å; K110-R168 PolarHBondContact NZ-O 2.98Å; K110-R168 VanDerWaalsContact NZ-O 3.12Å |
| 111 | D | 76.5 | Confident | 74.3 | Confident | 72 Ų | 72 | 82.8 Ų | 82.8 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.9 | 179.8 | 64.5 | 0 | 0 | 0 | 110.9 | F107 A108 Y113 E114 K115 | F107-D111 WeakPolarHBondContact O-CB 3.46Å; F107-D111 PolarHBondContact O-N 3.43Å; A108-D111 PolarHBondContact O-N 3.28Å; D111-Y113 VanDerWaalsContact C-N 3.35Å; D111-Y113 PolarHBondContact O-N 3.27Å; D111-E114 PolarHBondContact O-N 3.05Å; D111-K115 VanDerWaalsContact O-CB 3.32Å; D111-K115 WeakPolarHBondContact O-CB 3.39Å; D111-K115 VanDerWaalsContact O-CG 3.25Å; D111-K115 WeakPolarHBondContact O-CG 3.25Å; D111-K115 PolarHBondContact O-N 3.2Å; D111-K115 IonicContact OD1-NZ 2.64Å; D111-K115 WeakPolarHBondContact OD2-CE 3.25Å; D111-K115 IonicContact OD2-NZ 3.18Å; D111-K115 PolarHBondContact OD2-NZ 3.47Å |
| 112 | E | 81.7 | Confident | 74.6 | Confident | 119 Ų | 119 | 85.5 Ų | 85.5 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 171.2 | -75.9 | -179.8 | -165.7 | 0 | 0 | 112.3 | A108 F116 | A108-E112 WeakPolarHBondContact O-CB 3.37Å; A108-E112 WeakPolarHBondContact O-CG 3.38Å; A108-E112 PolarHBondContact O-N 2.97Å; E112-F116 VanDerWaalsContact O-CB 3.24Å; E112-F116 WeakPolarHBondContact O-CB 3.29Å; E112-F116 PolarHBondContact O-N 3.41Å |
| 113 | Y | 83.1 | Confident | 75.5 | Confident | 7 Ų | 7 | 84.1 Ų | 84.1 | 3% | 0.027 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 173 | 167.2 | -96.4 | 0 | 0 | 0 | 112.1 | Y109 K110 D111 F116 K117 L155 R158 E159 L162 | Y109-Y113 VanDerWaalsContact O-CB 3.28Å; Y109-Y113 WeakPolarHBondContact O-CB 3.39Å; Y109-Y113 PolarHBondContact O-N 3.14Å; K110-Y113 WeakPolarHBondContact O-CB 3.48Å; K110-Y113 PolarHBondContact O-N 3.41Å; D111-Y113 VanDerWaalsContact C-N 3.35Å; D111-Y113 PolarHBondContact O-N 3.27Å; Y113-F116 PolarHBondContact O-N 3.36Å; Y113-K117 WeakPolarHBondContact O-CB 3.41Å; Y113-K117 PolarHBondContact O-N 2.7Å; Y113-L155 HydrophobicContact CD2-CD2 3.78Å; Y113-L155 HydrophobicContact CE2-CD2 3.21Å; Y113-L155 HydrophobicContact CE2-CG 4.45Å; Y113-R158 HydrophobicContact CD2-CB 3.75Å; Y113-R158 HydrophobicContact CE2-CB 4.12Å; Y113-E159 HydrophobicContact CE2-CB 4.48Å; Y113-L162 HydrophobicContact CD1-CD1 3.77Å; Y113-L162 HydrophobicContact CD2-CD1 3.87Å; Y113-L162 HydrophobicContact CE1-CD1 4.37Å; Y113-L162 HydrophobicContact CE2-CD1 4.44Å; Y113-L162 HydrophobicContact CG-CD1 3.49Å; Y113-L162 VanDerWaalsContact CG-CD1 3.49Å |
| 114 | E | 81.9 | Confident | 76.7 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 179.1 | -73.1 | -178.4 | -168.5 | 0 | 0 | 111.9 | K110 D111 K117 L118 | K110-E114 WeakPolarHBondContact CE-OE1 3.35Å; K110-E114 WeakPolarHBondContact O-CG 3.35Å; K110-E114 PolarHBondContact O-N 3.26Å; D111-E114 PolarHBondContact O-N 3.05Å; E114-K117 PolarHBondContact O-N 2.8Å; E114-L118 WeakPolarHBondContact O-CB 3.3Å; E114-L118 PolarHBondContact O-N 3.44Å |
| 115 | K | 84.8 | Confident | 78.3 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 172.8 | -76.8 | 170 | 177 | 166.8 | 0 | 112.4 | D111 K117 L118 Y119 | D111-K115 VanDerWaalsContact O-CB 3.32Å; D111-K115 WeakPolarHBondContact O-CB 3.39Å; D111-K115 VanDerWaalsContact O-CG 3.25Å; D111-K115 WeakPolarHBondContact O-CG 3.25Å; D111-K115 PolarHBondContact O-N 3.2Å; D111-K115 IonicContact OD1-NZ 2.64Å; D111-K115 WeakPolarHBondContact OD2-CE 3.25Å; D111-K115 IonicContact OD2-NZ 3.18Å; D111-K115 PolarHBondContact OD2-NZ 3.47Å; K115-K117 VanDerWaalsContact C-N 3.34Å; K115-L118 PolarHBondContact O-N 3.37Å; K115-Y119 WeakPolarHBondContact O-CB 3.42Å; K115-Y119 PolarHBondContact O-N 3.26Å |
| 116 | F | 87.2 | Confident | 79.9 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 17% | 0.167 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 176.3 | 176.4 | -98 | 0 | 0 | 0 | 111.5 | E112 Y113 L118 Y119 L120 W150 T154 L155 | E112-F116 VanDerWaalsContact O-CB 3.24Å; E112-F116 WeakPolarHBondContact O-CB 3.29Å; E112-F116 PolarHBondContact O-N 3.41Å; Y113-F116 PolarHBondContact O-N 3.36Å; F116-L118 PolarHBondContact O-N 3.37Å; F116-Y119 PolarHBondContact O-N 3.35Å; F116-L120 HydrophobicContact CD1-CD1 4.03Å; F116-L120 HydrophobicContact CD2-CD1 3.87Å; F116-L120 HydrophobicContact CE1-CD1 3.48Å; F116-L120 VanDerWaalsContact CE1-CD1 3.48Å; F116-L120 HydrophobicContact CE2-CD1 3.31Å; F116-L120 HydrophobicContact CG-CD1 4.21Å; F116-L120 HydrophobicContact CZ-CD1 3.09Å; F116-L120 PolarHBondContact O-N 3.08Å; F116-L120 VanDerWaalsContact O-N 3.14Å; F116-W150 HydrophobicContact CE2-CH2 4.42Å; F116-W150 HydrophobicContact CZ-CH2 4.16Å; F116-T154 HydrophobicContact CE1-CG2 3.84Å; F116-T154 HydrophobicContact CZ-CG2 3.68Å; F116-L155 HydrophobicContact CD1-CD2 3.95Å; F116-L155 HydrophobicContact CD1-CG 4.35Å; F116-L155 HydrophobicContact CE1-CD1 4.34Å; F116-L155 HydrophobicContact CE1-CD2 4.18Å; F116-L155 HydrophobicContact CE1-CG 4.08Å |
| 117 | K | 85.6 | Confident | 81.3 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 175.5 | -170 | -179.2 | -177.9 | 173.6 | 0 | 111.4 | Y113 E114 K115 T121 Y151 L155 | Y113-K117 WeakPolarHBondContact O-CB 3.41Å; Y113-K117 PolarHBondContact O-N 2.7Å; E114-K117 PolarHBondContact O-N 2.8Å; K115-K117 VanDerWaalsContact C-N 3.34Å; K117-T121 WeakPolarHBondContact O-CB 3.37Å; K117-T121 PolarHBondContact O-N 3.46Å; K117-T121 PolarHBondContact O-OG1 2.98Å; K117-Y151 WeakPolarHBondContact CG-OH 3.16Å; K117-Y151 PolarHBondContact O-OH 2.97Å; K117-L155 HydrophobicContact CB-CD2 4.42Å |
| 118 | L | 87.6 | Confident | 82.5 | Confident | 109 Ų | 109 | 71 Ų | 71 | 57% | 0.571 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.1 | -48.8 | 179.9 | -176.6 | 66 | 0 | 0 | 0 | 112.2 | E114 K115 F116 L120 T121 I122 | E114-L118 WeakPolarHBondContact O-CB 3.3Å; E114-L118 PolarHBondContact O-N 3.44Å; K115-L118 PolarHBondContact O-N 3.37Å; F116-L118 PolarHBondContact O-N 3.37Å; L118-L120 PolarHBondContact O-N 3.35Å; L118-T121 PolarHBondContact O-N 2.96Å; L118-I122 HydrophobicContact CD1-CD1 4.19Å; L118-I122 HydrophobicContact CG-CD1 3.97Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.49Å |
| 119 | Y | 87.9 | Confident | 83.3 | Confident | 159 Ų | 159 | 75.5 Ų | 75.5 | 62% | 0.624 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -59.4 | -47 | -177.8 | -175.9 | -106.6 | 0 | 0 | 0 | 112 | K115 F116 I122 I123 | K115-Y119 WeakPolarHBondContact O-CB 3.42Å; K115-Y119 PolarHBondContact O-N 3.26Å; F116-Y119 PolarHBondContact O-N 3.35Å; Y119-I122 PolarHBondContact O-N 3.09Å; Y119-I123 HydrophobicContact CD1-CD1 3.58Å; Y119-I123 HydrophobicContact CE1-CD1 3.18Å; Y119-I123 HydrophobicContact CE1-CG1 4.37Å; Y119-I123 HydrophobicContact CE2-CD1 4.33Å; Y119-I123 HydrophobicContact CG-CD1 4.31Å; Y119-I123 WeakPolarHBondContact O-CG1 3.35Å; Y119-I123 PolarHBondContact O-N 3.09Å |
| 120 | L | 84.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 74.7 Ų | 74.7 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.4 | -33.6 | 178.7 | -83.1 | 160.7 | 0 | 0 | 0 | 112.9 | F116 L118 I122 I123 L124 W150 Y151 | F116-L120 HydrophobicContact CD1-CD1 4.03Å; F116-L120 HydrophobicContact CD2-CD1 3.87Å; F116-L120 HydrophobicContact CE1-CD1 3.48Å; F116-L120 VanDerWaalsContact CE1-CD1 3.48Å; F116-L120 HydrophobicContact CE2-CD1 3.31Å; F116-L120 HydrophobicContact CG-CD1 4.21Å; F116-L120 HydrophobicContact CZ-CD1 3.09Å; F116-L120 PolarHBondContact O-N 3.08Å; F116-L120 VanDerWaalsContact O-N 3.14Å; L118-L120 PolarHBondContact O-N 3.35Å; L120-I122 VanDerWaalsContact C-N 3.34Å; L120-I122 PolarHBondContact O-N 2.88Å; L120-I123 PolarHBondContact O-N 3.31Å; L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 VanDerWaalsContact O-CG 3.25Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.36Å; L120-W150 HydrophobicContact CD1-CH2 4.29Å; L120-W150 HydrophobicContact CD1-CZ3 3.91Å; L120-W150 HydrophobicContact CD2-CZ3 3.98Å; L120-Y151 HydrophobicContact CB-CD2 3.57Å; L120-Y151 HydrophobicContact CB-CE2 3.32Å; L120-Y151 HydrophobicContact CD1-CD2 3.62Å; L120-Y151 HydrophobicContact CD1-CE2 3.96Å; L120-Y151 HydrophobicContact CG-CD2 4.08Å; L120-Y151 HydrophobicContact CG-CE2 4.23Å |
| 121 | T | 86.5 | Confident | 83.6 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 172.7 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | K117 L118 L124 I125 Y151 | K117-T121 WeakPolarHBondContact O-CB 3.37Å; K117-T121 PolarHBondContact O-N 3.46Å; K117-T121 PolarHBondContact O-OG1 2.98Å; L118-T121 PolarHBondContact O-N 2.96Å; T121-L124 PolarHBondContact O-N 3.43Å; T121-I125 HydrophobicContact CG2-CD1 4.01Å; T121-I125 VanDerWaalsContact O-CG1 3.29Å; T121-I125 WeakPolarHBondContact O-CG1 3.35Å; T121-I125 PolarHBondContact O-N 3.41Å; T121-Y151 PolarHBondContact OG1-OH 3.43Å |
| 122 | I | 89.8 | Confident | 83.3 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 43% | 0.426 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.9 | -67.2 | 167 | 0 | 0 | 0 | 110.7 | L118 Y119 L120 L124 I125 L126 | L118-I122 HydrophobicContact CD1-CD1 4.19Å; L118-I122 HydrophobicContact CG-CD1 3.97Å; L118-I122 WeakPolarHBondContact O-CG1 3.39Å; L118-I122 PolarHBondContact O-N 3.49Å; Y119-I122 PolarHBondContact O-N 3.09Å; L120-I122 VanDerWaalsContact C-N 3.34Å; L120-I122 PolarHBondContact O-N 2.88Å; I122-L124 VanDerWaalsContact C-N 3.35Å; I122-L124 PolarHBondContact O-N 2.84Å; I122-I125 PolarHBondContact O-N 3.47Å; I122-L126 HydrophobicContact CG2-CD1 4.05Å; I122-L126 HydrophobicContact CG2-CG 4.45Å; I122-L126 WeakPolarHBondContact O-CG 3.18Å; I122-L126 PolarHBondContact O-N 3.41Å |
| 123 | I | 87.5 | Confident | 82.7 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 23% | 0.226 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.1 | -71.9 | 170.1 | 0 | 0 | 0 | 111.1 | Y119 L120 I125 L126 I127 | Y119-I123 HydrophobicContact CD1-CD1 3.58Å; Y119-I123 HydrophobicContact CE1-CD1 3.18Å; Y119-I123 HydrophobicContact CE1-CG1 4.37Å; Y119-I123 HydrophobicContact CE2-CD1 4.33Å; Y119-I123 HydrophobicContact CG-CD1 4.31Å; Y119-I123 WeakPolarHBondContact O-CG1 3.35Å; Y119-I123 PolarHBondContact O-N 3.09Å; L120-I123 PolarHBondContact O-N 3.31Å; I123-I125 VanDerWaalsContact C-N 3.32Å; I123-I125 PolarHBondContact O-N 2.94Å; I123-L126 PolarHBondContact O-N 3.12Å; I123-I127 HydrophobicContact CG2-CD1 3.53Å; I123-I127 HydrophobicContact CG2-CG1 4.22Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.5Å; I123-I127 PolarHBondContact O-N 3.21Å |
| 124 | L | 85.8 | Confident | 81.6 | Confident | 17 Ų | 17 | 89 Ų | 89 | 9% | 0.089 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 179 | -76.4 | 169.3 | 0 | 0 | 0 | 112.2 | L120 T121 I122 S128 F144 L147 L148 Y151 | L120-L124 WeakPolarHBondContact O-CB 3.47Å; L120-L124 VanDerWaalsContact O-CG 3.25Å; L120-L124 WeakPolarHBondContact O-CG 3.43Å; L120-L124 PolarHBondContact O-N 3.36Å; T121-L124 PolarHBondContact O-N 3.43Å; I122-L124 VanDerWaalsContact C-N 3.35Å; I122-L124 PolarHBondContact O-N 2.84Å; L124-S128 VanDerWaalsContact O-CB 3.27Å; L124-S128 WeakPolarHBondContact O-CB 3.38Å; L124-S128 PolarHBondContact O-N 3.46Å; L124-S128 PolarHBondContact O-OG 2.94Å; L124-F144 HydrophobicContact CB-CE2 4.42Å; L124-F144 HydrophobicContact CD2-CD2 4.09Å; L124-F144 HydrophobicContact CD2-CE2 3.44Å; L124-F144 VanDerWaalsContact CD2-CE2 3.44Å; L124-F144 HydrophobicContact CD2-CZ 4.03Å; L124-L147 HydrophobicContact CD2-CD2 3.38Å; L124-L147 HydrophobicContact CG-CD2 4.05Å; L124-L148 HydrophobicContact CD1-CD2 3.8Å; L124-L148 HydrophobicContact CD2-CD2 3.59Å; L124-L148 HydrophobicContact CD2-CG 4.06Å; L124-L148 HydrophobicContact CG-CD2 4.33Å; L124-Y151 HydrophobicContact CD1-CD1 4.04Å; L124-Y151 HydrophobicContact CD1-CE1 4.22Å; L124-Y151 HydrophobicContact CD1-CG 4.35Å |
| 125 | I | 87.2 | Confident | 80.4 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 54% | 0.544 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 176.2 | -68.8 | 165.8 | 0 | 0 | 0 | 110.8 | T121 I122 I123 S128 F129 | T121-I125 HydrophobicContact CG2-CD1 4.01Å; T121-I125 VanDerWaalsContact O-CG1 3.29Å; T121-I125 WeakPolarHBondContact O-CG1 3.35Å; T121-I125 PolarHBondContact O-N 3.41Å; I122-I125 PolarHBondContact O-N 3.47Å; I123-I125 VanDerWaalsContact C-N 3.32Å; I123-I125 PolarHBondContact O-N 2.94Å; I125-S128 PolarHBondContact O-N 3.16Å; I125-F129 WeakPolarHBondContact O-CB 3.32Å; I125-F129 PolarHBondContact O-N 2.91Å |
| 126 | L | 85.1 | Confident | 79.3 | Confident | 105 Ų | 105 | 92 Ų | 92 | 55% | 0.55 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 179.4 | -68.8 | 174.6 | 0 | 0 | 0 | 112.1 | I122 I123 F129 T130 | I122-L126 HydrophobicContact CG2-CD1 4.05Å; I122-L126 HydrophobicContact CG2-CG 4.45Å; I122-L126 WeakPolarHBondContact O-CG 3.18Å; I122-L126 PolarHBondContact O-N 3.41Å; I123-L126 PolarHBondContact O-N 3.12Å; L126-F129 PolarHBondContact O-N 2.95Å; L126-T130 WeakPolarHBondContact O-CB 3.49Å; L126-T130 PolarHBondContact O-N 3.45Å; L126-T130 PolarHBondContact O-OG1 3.22Å |
| 127 | I | 81.6 | Confident | 78.4 | Confident | 54 Ų | 54 | 92.4 Ų | 92.4 | 28% | 0.277 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 175.8 | -66.3 | 171.4 | 0 | 0 | 0 | 109.7 | I123 F129 T130 C131 F144 | I123-I127 HydrophobicContact CG2-CD1 3.53Å; I123-I127 HydrophobicContact CG2-CG1 4.22Å; I123-I127 VanDerWaalsContact O-CG1 3.3Å; I123-I127 WeakPolarHBondContact O-CG1 3.5Å; I123-I127 PolarHBondContact O-N 3.21Å; I127-F129 VanDerWaalsContact C-N 3.31Å; I127-F129 PolarHBondContact O-N 2.95Å; I127-T130 PolarHBondContact O-N 3.33Å; I127-T130 VanDerWaalsContact O-N 3.15Å; I127-C131 WeakPolarHBondContact O-CB 3.15Å; I127-C131 PolarHBondContact O-N 3.05Å; I127-C131 PolarHBondContact O-SG 3.46Å; I127-F144 HydrophobicContact CB-CD2 4.25Å; I127-F144 HydrophobicContact CB-CE2 4.38Å; I127-F144 HydrophobicContact CG2-CD2 3.59Å; I127-F144 HydrophobicContact CG2-CE2 4.16Å; I127-F144 HydrophobicContact CG2-CG 4.46Å |
| 128 | S | 81.9 | Confident | 77.8 | Confident | 52 Ų | 52 | 99.9 Ų | 99.9 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 177 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | L124 I125 R132 F144 | L124-S128 VanDerWaalsContact O-CB 3.27Å; L124-S128 WeakPolarHBondContact O-CB 3.38Å; L124-S128 PolarHBondContact O-N 3.46Å; L124-S128 PolarHBondContact O-OG 2.94Å; I125-S128 PolarHBondContact O-N 3.16Å; S128-R132 WeakPolarHBondContact O-CB 3.14Å; S128-R132 PolarHBondContact O-N 3.46Å; S128-R132 VanDerWaalsContact O-N 3.07Å; S128-F144 WeakPolarHBondContact OG-CZ 3.48Å |
| 129 | F | 81.4 | Confident | 77.1 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -43 | 177 | -172.6 | -97 | 0 | 0 | 0 | 111.7 | I125 L126 I127 R132 F133 | I125-F129 WeakPolarHBondContact O-CB 3.32Å; I125-F129 PolarHBondContact O-N 2.91Å; L126-F129 PolarHBondContact O-N 2.95Å; I127-F129 VanDerWaalsContact C-N 3.31Å; I127-F129 PolarHBondContact O-N 2.95Å; F129-R132 WeakPolarHBondContact O-CB 3.28Å; F129-R132 PolarHBondContact O-N 3.26Å; F129-F133 HydrophobicContact CZ-CD2 4.35Å; F129-F133 WeakPolarHBondContact O-CB 3.42Å; F129-F133 PolarHBondContact O-N 3.46Å; F129-F133 VanDerWaalsContact O-N 3.1Å |
| 130 | T | 75.6 | Confident | 76.5 | Confident | 61 Ų | 61 | 94.4 Ų | 94.4 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 178.9 | -54 | 0 | 0 | 0 | 0 | 111.9 | L126 I127 R132 F133 L134 | L126-T130 WeakPolarHBondContact O-CB 3.49Å; L126-T130 PolarHBondContact O-N 3.45Å; L126-T130 PolarHBondContact O-OG1 3.22Å; I127-T130 PolarHBondContact O-N 3.33Å; I127-T130 VanDerWaalsContact O-N 3.15Å; T130-R132 VanDerWaalsContact C-N 3.29Å; T130-R132 PolarHBondContact O-N 3.39Å; T130-F133 PolarHBondContact O-N 3.27Å; T130-L134 HydrophobicContact CG2-CB 4.39Å; T130-L134 HydrophobicContact CG2-CD1 4.2Å; T130-L134 PolarHBondContact O-N 3.46Å |
| 131 | C | 71.9 | Confident | 76.2 | Confident | 35 Ų | 35 | 98.4 Ų | 98.4 | 24% | 0.236 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 173.2 | -68 | 0 | 0 | 0 | 0 | 111.8 | I127 T140 | I127-C131 WeakPolarHBondContact O-CB 3.15Å; I127-C131 PolarHBondContact O-N 3.05Å; I127-C131 PolarHBondContact O-SG 3.46Å; C131-T140 WeakPolarHBondContact SG-CG2 3.35Å |
| 132 | R | 70.5 | Confident | 76 | Confident | 225 Ų | 225 | 98.8 Ų | 98.8 | 85% | 0.849 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.5 | -33.2 | 178.1 | -165.2 | 77.7 | -176.8 | -176 | 3.7 | 112.7 | S128 F129 T130 | S128-R132 WeakPolarHBondContact O-CB 3.14Å; S128-R132 PolarHBondContact O-N 3.46Å; S128-R132 VanDerWaalsContact O-N 3.07Å; F129-R132 WeakPolarHBondContact O-CB 3.28Å; F129-R132 PolarHBondContact O-N 3.26Å; T130-R132 VanDerWaalsContact C-N 3.29Å; T130-R132 PolarHBondContact O-N 3.39Å |
| 133 | F | 68.9 | Low | 75.6 | Confident | 154 Ų | 154 | 97.6 Ų | 97.6 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -107.5 | -28 | -166.3 | -136.2 | -87.7 | 0 | 0 | 0 | 114.7 | F129 T130 | F129-F133 HydrophobicContact CZ-CD2 4.35Å; F129-F133 WeakPolarHBondContact O-CB 3.42Å; F129-F133 PolarHBondContact O-N 3.46Å; F129-F133 VanDerWaalsContact O-N 3.1Å; T130-F133 PolarHBondContact O-N 3.27Å |
| 134 | L | 60.9 | Low | 75.4 | Confident | 131 Ų | 131 | 97.3 Ų | 97.3 | 69% | 0.686 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | -26.2 | -166 | -68.6 | 171.3 | 0 | 0 | 0 | 115.7 | T130 | T130-L134 HydrophobicContact CG2-CB 4.39Å; T130-L134 HydrophobicContact CG2-CD1 4.2Å; T130-L134 PolarHBondContact O-N 3.46Å |
| 135 | L | 57 | Low | 75.4 | Confident | 103 Ų | 103 | 100.2 Ų | 100.2 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | trans | -145.2 | 96.4 | -172.3 | -67.6 | 172.4 | 0 | 0 | 0 | 112.4 | S137 | L135-S137 PolarHBondContact O-N 2.95Š| ||
| 136 | N | 61.1 | Low | 75.4 | Confident | 179 Ų | 179 | 102.5 Ų | 102.5 | 96% | 0.957 | 52% | 0.523 | S | S | * | . | trans | -83.4 | 62.2 | 171.6 | -155.8 | 24.4 | 0 | 0 | 0 | 110.6 | ||||
| 137 | S | 68.2 | Low | 75.5 | Confident | 46 Ų | 46 | 99.8 Ų | 99.8 | 32% | 0.322 | 51% | 0.509 | S | S | . | . | trans | -109.1 | 131.7 | -177.1 | 116.3 | 0 | 0 | 0 | 0 | 111.1 | L135 V139 T140 D141 | L135-S137 PolarHBondContact O-N 2.95Å; S137-V139 PolarHBondContact O-N 2.9Å; S137-V139 PolarHBondContact OG-N 2.88Å; S137-T140 PolarHBondContact O-N 3.16Å; S137-T140 VanDerWaalsContact O-N 3.14Å; S137-T140 PolarHBondContact OG-N 3.45Å; S137-T140 PolarHBondContact OG-OG1 3.06Å; S137-D141 PolarHBondContact O-N 3.47Å | ||
| 138 | R | 72.4 | Confident | 75.7 | Confident | 233 Ų | 233 | 99.1 Ų | 99.1 | 88% | 0.879 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.9 | -27.3 | 176.4 | -66.4 | -179.9 | 67.3 | 179 | 0.8 | 112.8 | A142 | R138-A142 PolarHBondContact O-N 3.06Å; R138-A142 VanDerWaalsContact O-N 3.15Å |
| 139 | V | 74.4 | Confident | 76 | Confident | 114 Ų | 114 | 101.1 Ų | 101.1 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.5 | -40.4 | 179.1 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | S137 D141 A142 A143 | S137-V139 PolarHBondContact O-N 2.9Å; S137-V139 PolarHBondContact OG-N 2.88Å; V139-D141 VanDerWaalsContact C-N 3.33Å; V139-D141 PolarHBondContact O-N 3.14Å; V139-A142 PolarHBondContact O-N 3.25Å; V139-A143 WeakPolarHBondContact O-CB 3.33Å; V139-A143 PolarHBondContact O-N 3.02Å |
| 140 | T | 74.3 | Confident | 76.4 | Confident | 39 Ų | 39 | 100.4 Ų | 100.4 | 24% | 0.239 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 178.1 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | C131 S137 A143 F144 | C131-T140 WeakPolarHBondContact SG-CG2 3.35Å; S137-T140 PolarHBondContact O-N 3.16Å; S137-T140 VanDerWaalsContact O-N 3.14Å; S137-T140 PolarHBondContact OG-N 3.45Å; S137-T140 PolarHBondContact OG-OG1 3.06Å; T140-A143 PolarHBondContact O-N 2.89Å; T140-F144 WeakPolarHBondContact O-CB 3.39Å; T140-F144 PolarHBondContact O-N 2.83Å |
| 141 | D | 77.3 | Confident | 77.1 | Confident | 98 Ų | 98 | 98.1 Ų | 98.1 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 175.4 | -171.3 | 36.6 | 0 | 0 | 0 | 112 | S137 V139 A143 F144 N145 | S137-D141 PolarHBondContact O-N 3.47Å; V139-D141 VanDerWaalsContact C-N 3.33Å; V139-D141 PolarHBondContact O-N 3.14Å; D141-A143 PolarHBondContact O-N 3.1Å; D141-F144 PolarHBondContact O-N 3.4Å; D141-N145 PolarHBondContact O-N 3.18Å; D141-N145 PolarHBondContact O-ND2 3.15Å; D141-N145 PolarHBondContact OD1-ND2 2.73Å; D141-N145 VanDerWaalsContact OD1-ND2 3.11Å |
| 142 | A | 83.1 | Confident | 77.8 | Confident | 61 Ų | 61 | 102.7 Ų | 102.7 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R138 V139 N145 F146 | R138-A142 PolarHBondContact O-N 3.06Å; R138-A142 VanDerWaalsContact O-N 3.15Å; V139-A142 PolarHBondContact O-N 3.25Å; A142-N145 PolarHBondContact O-N 2.94Å; A142-F146 WeakPolarHBondContact O-CB 3.4Å; A142-F146 PolarHBondContact O-N 3.5Å |
| 143 | A | 82.1 | Confident | 78.7 | Confident | 58 Ų | 58 | 95.4 Ų | 95.4 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V139 T140 D141 F146 L147 | V139-A143 WeakPolarHBondContact O-CB 3.33Å; V139-A143 PolarHBondContact O-N 3.02Å; T140-A143 PolarHBondContact O-N 2.89Å; D141-A143 PolarHBondContact O-N 3.1Å; A143-F146 PolarHBondContact O-N 3.28Å; A143-L147 WeakPolarHBondContact O-CB 3.46Å; A143-L147 PolarHBondContact O-N 3.27Å |
| 144 | F | 82.9 | Confident | 79.5 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 16% | 0.162 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.8 | -178.5 | -107.8 | 0 | 0 | 0 | 112 | L124 I127 S128 T140 D141 F146 L147 L148 | L124-F144 HydrophobicContact CB-CE2 4.42Å; L124-F144 HydrophobicContact CD2-CD2 4.09Å; L124-F144 HydrophobicContact CD2-CE2 3.44Å; L124-F144 VanDerWaalsContact CD2-CE2 3.44Å; L124-F144 HydrophobicContact CD2-CZ 4.03Å; I127-F144 HydrophobicContact CB-CD2 4.25Å; I127-F144 HydrophobicContact CB-CE2 4.38Å; I127-F144 HydrophobicContact CG2-CD2 3.59Å; I127-F144 HydrophobicContact CG2-CE2 4.16Å; I127-F144 HydrophobicContact CG2-CG 4.46Å; S128-F144 WeakPolarHBondContact OG-CZ 3.48Å; T140-F144 WeakPolarHBondContact O-CB 3.39Å; T140-F144 PolarHBondContact O-N 2.83Å; D141-F144 PolarHBondContact O-N 3.4Å; F144-F146 PolarHBondContact O-N 3.39Å; F144-L147 PolarHBondContact O-N 3.5Å; F144-L148 HydrophobicContact CD1-CD1 3.92Å; F144-L148 HydrophobicContact CD1-CG 4.48Å; F144-L148 HydrophobicContact CE1-CD1 3.5Å; F144-L148 HydrophobicContact CE1-CG 4.15Å; F144-L148 HydrophobicContact CZ-CD1 4Å; F144-L148 HydrophobicContact CZ-CD2 4.41Å; F144-L148 HydrophobicContact CZ-CG 4.24Å; F144-L148 WeakPolarHBondContact O-CG 3.5Å; F144-L148 PolarHBondContact O-N 3.44Å |
| 145 | N | 85 | Confident | 80.7 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.9 | -78.4 | -76.3 | 0 | 0 | 0 | 112.2 | D141 A142 L147 L148 V149 | D141-N145 PolarHBondContact O-N 3.18Å; D141-N145 PolarHBondContact O-ND2 3.15Å; D141-N145 PolarHBondContact OD1-ND2 2.73Å; D141-N145 VanDerWaalsContact OD1-ND2 3.11Å; A142-N145 PolarHBondContact O-N 2.94Å; N145-L147 PolarHBondContact O-N 2.97Å; N145-L148 PolarHBondContact O-N 2.8Å; N145-V149 WeakPolarHBondContact O-CG2 3.47Å; N145-V149 PolarHBondContact O-N 3.35Å |
| 146 | F | 88.4 | Confident | 82.1 | Confident | 154 Ų | 154 | 81.5 Ų | 81.5 | 68% | 0.675 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 173.9 | -179.1 | -95.8 | 0 | 0 | 0 | 111.9 | A142 A143 F144 L148 V149 W150 | A142-F146 WeakPolarHBondContact O-CB 3.4Å; A142-F146 PolarHBondContact O-N 3.5Å; A143-F146 PolarHBondContact O-N 3.28Å; F144-F146 PolarHBondContact O-N 3.39Å; F146-L148 VanDerWaalsContact C-N 3.34Å; F146-L148 PolarHBondContact O-N 2.78Å; F146-V149 PolarHBondContact O-N 2.96Å; F146-W150 WeakPolarHBondContact O-CB 3.46Å; F146-W150 PolarHBondContact O-N 3.15Å |
| 147 | L | 86.1 | Confident | 83.2 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 178.9 | -168.7 | 140.5 | 0 | 0 | 0 | 112.2 | L124 A143 F144 N145 Y151 | L124-L147 HydrophobicContact CD2-CD2 3.38Å; L124-L147 HydrophobicContact CG-CD2 4.05Å; A143-L147 WeakPolarHBondContact O-CB 3.46Å; A143-L147 PolarHBondContact O-N 3.27Å; F144-L147 PolarHBondContact O-N 3.5Å; N145-L147 PolarHBondContact O-N 2.97Å; L147-Y151 VanDerWaalsContact O-CB 3.25Å; L147-Y151 WeakPolarHBondContact O-CB 3.36Å; L147-Y151 PolarHBondContact O-N 3.16Å |
| 148 | L | 85.8 | Confident | 84 | Confident | 41 Ų | 41 | 79.5 Ų | 79.5 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61 | -52.8 | 172 | -77.8 | 174 | 0 | 0 | 0 | 111.4 | L124 F144 N145 F146 W150 Y151 Y152 | L124-L148 HydrophobicContact CD1-CD2 3.8Å; L124-L148 HydrophobicContact CD2-CD2 3.59Å; L124-L148 HydrophobicContact CD2-CG 4.06Å; L124-L148 HydrophobicContact CG-CD2 4.33Å; F144-L148 HydrophobicContact CD1-CD1 3.92Å; F144-L148 HydrophobicContact CD1-CG 4.48Å; F144-L148 HydrophobicContact CE1-CD1 3.5Å; F144-L148 HydrophobicContact CE1-CG 4.15Å; F144-L148 HydrophobicContact CZ-CD1 4Å; F144-L148 HydrophobicContact CZ-CD2 4.41Å; F144-L148 HydrophobicContact CZ-CG 4.24Å; F144-L148 WeakPolarHBondContact O-CG 3.5Å; F144-L148 PolarHBondContact O-N 3.44Å; N145-L148 PolarHBondContact O-N 2.8Å; F146-L148 VanDerWaalsContact C-N 3.34Å; F146-L148 PolarHBondContact O-N 2.78Å; L148-W150 VanDerWaalsContact C-N 3.31Å; L148-W150 PolarHBondContact O-N 2.96Å; L148-Y151 WeakPolarHBondContact O-CB 3.34Å; L148-Y151 PolarHBondContact O-N 3.42Å; L148-Y151 VanDerWaalsContact O-N 3.14Å; L148-Y152 HydrophobicContact CD2-CE2 4.37Å; L148-Y152 WeakPolarHBondContact O-CD2 3.42Å; L148-Y152 PolarHBondContact O-N 3.07Å |
| 149 | V | 89.7 | Confident | 84.5 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 56% | 0.564 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.5 | -45.6 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | N145 F146 Y151 Y152 C153 | N145-V149 WeakPolarHBondContact O-CG2 3.47Å; N145-V149 PolarHBondContact O-N 3.35Å; F146-V149 PolarHBondContact O-N 2.96Å; V149-Y151 VanDerWaalsContact C-N 3.33Å; V149-Y151 PolarHBondContact O-N 3.24Å; V149-Y152 PolarHBondContact O-N 2.92Å; V149-C153 PolarHBondContact O-N 2.94Å; V149-C153 PolarHBondContact O-SG 3.33Å |
| 150 | W | 89.9 | Confident | 84.7 | Confident | 121 Ų | 121 | 66.7 Ų | 66.7 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.3 | 173.6 | 79.8 | 0 | 0 | 0 | 112.7 | F116 L120 F146 L148 T154 | F116-W150 HydrophobicContact CE2-CH2 4.42Å; F116-W150 HydrophobicContact CZ-CH2 4.16Å; L120-W150 HydrophobicContact CD1-CH2 4.29Å; L120-W150 HydrophobicContact CD1-CZ3 3.91Å; L120-W150 HydrophobicContact CD2-CZ3 3.98Å; F146-W150 WeakPolarHBondContact O-CB 3.46Å; F146-W150 PolarHBondContact O-N 3.15Å; L148-W150 VanDerWaalsContact C-N 3.31Å; L148-W150 PolarHBondContact O-N 2.96Å; W150-T154 WeakPolarHBondContact O-CB 3.27Å; W150-T154 PolarHBondContact O-N 3.05Å; W150-T154 PolarHBondContact O-OG1 3.3Å |
| 151 | Y | 89.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 68 Ų | 68 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 176.3 | 172.8 | -109.7 | 0 | 0 | 0 | 111.4 | K117 L120 T121 L124 L147 L148 V149 T154 L155 W172 | K117-Y151 WeakPolarHBondContact CG-OH 3.16Å; K117-Y151 PolarHBondContact O-OH 2.97Å; L120-Y151 HydrophobicContact CB-CD2 3.57Å; L120-Y151 HydrophobicContact CB-CE2 3.32Å; L120-Y151 HydrophobicContact CD1-CD2 3.62Å; L120-Y151 HydrophobicContact CD1-CE2 3.96Å; L120-Y151 HydrophobicContact CG-CD2 4.08Å; L120-Y151 HydrophobicContact CG-CE2 4.23Å; T121-Y151 PolarHBondContact OG1-OH 3.43Å; L124-Y151 HydrophobicContact CD1-CD1 4.04Å; L124-Y151 HydrophobicContact CD1-CE1 4.22Å; L124-Y151 HydrophobicContact CD1-CG 4.35Å; L147-Y151 VanDerWaalsContact O-CB 3.25Å; L147-Y151 WeakPolarHBondContact O-CB 3.36Å; L147-Y151 PolarHBondContact O-N 3.16Å; L148-Y151 WeakPolarHBondContact O-CB 3.34Å; L148-Y151 PolarHBondContact O-N 3.42Å; L148-Y151 VanDerWaalsContact O-N 3.14Å; V149-Y151 VanDerWaalsContact C-N 3.33Å; V149-Y151 PolarHBondContact O-N 3.24Å; Y151-T154 PolarHBondContact O-N 2.92Å; Y151-L155 HydrophobicContact CD1-CD1 4.01Å; Y151-L155 HydrophobicContact CD2-CD1 3.39Å; Y151-L155 HydrophobicContact CE1-CD1 3.64Å; Y151-L155 HydrophobicContact CE2-CD1 3.01Å; Y151-L155 HydrophobicContact CE2-CG 4.33Å; Y151-L155 HydrophobicContact CG-CD1 3.9Å; Y151-L155 WeakPolarHBondContact O-CD1 3.49Å; Y151-L155 PolarHBondContact O-N 3.47Å; Y151-L155 VanDerWaalsContact O-N 3.14Å; Y151-W172 HydrophobicContact CE1-CH2 4.39Å; Y151-W172 HydrophobicContact CE1-CZ3 4.14Å |
| 152 | Y | 86.9 | Confident | 85.2 | Confident | 131 Ų | 131 | 63.5 Ų | 63.5 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.4 | -80.8 | -72.9 | 0 | 0 | 0 | 112.3 | L148 V149 T154 L155 T156 W172 | L148-Y152 HydrophobicContact CD2-CE2 4.37Å; L148-Y152 WeakPolarHBondContact O-CD2 3.42Å; L148-Y152 PolarHBondContact O-N 3.07Å; V149-Y152 PolarHBondContact O-N 2.92Å; Y152-T154 PolarHBondContact O-N 3.14Å; Y152-L155 PolarHBondContact O-N 3.28Å; Y152-T156 PolarHBondContact O-N 3.18Å; Y152-T156 VanDerWaalsContact O-N 3.08Å; Y152-T156 PolarHBondContact O-OG1 2.96Å; Y152-T156 VanDerWaalsContact O-OG1 3.06Å; Y152-W172 AromaticContact CD1-CH2 3.62Å; Y152-W172 HydrophobicContact CD1-CH2 3.62Å; Y152-W172 AromaticContact CD1-CZ2 3.57Å; Y152-W172 HydrophobicContact CD1-CZ2 3.57Å; Y152-W172 HydrophobicContact CE1-CH2 4.15Å; Y152-W172 HydrophobicContact CE1-CZ2 4.26Å; Y152-W172 HydrophobicContact CG-CH2 4.38Å; Y152-W172 HydrophobicContact CG-CZ2 4.47Å |
| 153 | C | 88.5 | Confident | 84.9 | Confident | 71 Ų | 71 | 64.5 Ų | 64.5 | 48% | 0.48 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 178.5 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | V149 L155 T156 I157 | V149-C153 PolarHBondContact O-N 2.94Å; V149-C153 PolarHBondContact O-SG 3.33Å; C153-L155 VanDerWaalsContact C-N 3.3Å; C153-L155 PolarHBondContact O-N 2.67Å; C153-T156 PolarHBondContact O-N 2.89Å; C153-I157 WeakPolarHBondContact O-CG1 3.43Å; C153-I157 PolarHBondContact O-N 3.29Å |
| 154 | T | 87.4 | Confident | 84.3 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 17% | 0.172 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | -178.3 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | F116 W150 Y151 Y152 I157 R158 | F116-T154 HydrophobicContact CE1-CG2 3.84Å; F116-T154 HydrophobicContact CZ-CG2 3.68Å; W150-T154 WeakPolarHBondContact O-CB 3.27Å; W150-T154 PolarHBondContact O-N 3.05Å; W150-T154 PolarHBondContact O-OG1 3.3Å; Y151-T154 PolarHBondContact O-N 2.92Å; Y152-T154 PolarHBondContact O-N 3.14Å; T154-I157 PolarHBondContact O-N 3.12Å; T154-R158 WeakPolarHBondContact O-CG 3.12Å; T154-R158 PolarHBondContact O-N 3.36Å; T154-R158 VanDerWaalsContact O-N 3.09Å |
| 155 | L | 85.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.5 | -36.6 | -178.5 | -80.2 | 156.4 | 0 | 0 | 0 | 112.8 | Y113 F116 K117 Y151 Y152 C153 I157 R158 E159 W172 | Y113-L155 HydrophobicContact CD2-CD2 3.78Å; Y113-L155 HydrophobicContact CE2-CD2 3.21Å; Y113-L155 HydrophobicContact CE2-CG 4.45Å; F116-L155 HydrophobicContact CD1-CD2 3.95Å; F116-L155 HydrophobicContact CD1-CG 4.35Å; F116-L155 HydrophobicContact CE1-CD1 4.34Å; F116-L155 HydrophobicContact CE1-CD2 4.18Å; F116-L155 HydrophobicContact CE1-CG 4.08Å; K117-L155 HydrophobicContact CB-CD2 4.42Å; Y151-L155 HydrophobicContact CD1-CD1 4.01Å; Y151-L155 HydrophobicContact CD2-CD1 3.39Å; Y151-L155 HydrophobicContact CE1-CD1 3.64Å; Y151-L155 HydrophobicContact CE2-CD1 3.01Å; Y151-L155 HydrophobicContact CE2-CG 4.33Å; Y151-L155 HydrophobicContact CG-CD1 3.9Å; Y151-L155 WeakPolarHBondContact O-CD1 3.49Å; Y151-L155 PolarHBondContact O-N 3.47Å; Y151-L155 VanDerWaalsContact O-N 3.14Å; Y152-L155 PolarHBondContact O-N 3.28Å; C153-L155 VanDerWaalsContact C-N 3.3Å; C153-L155 PolarHBondContact O-N 2.67Å; L155-I157 VanDerWaalsContact C-N 3.28Å; L155-I157 PolarHBondContact O-N 2.99Å; L155-R158 PolarHBondContact O-N 3.06Å; L155-E159 WeakPolarHBondContact O-CB 3.47Å; L155-E159 PolarHBondContact O-N 3.25Å; L155-W172 HydrophobicContact CB-CE3 4.01Å; L155-W172 HydrophobicContact CB-CH2 3.01Å; L155-W172 HydrophobicContact CB-CZ2 3.49Å; L155-W172 VanDerWaalsContact CB-CZ2 3.49Å; L155-W172 HydrophobicContact CB-CZ3 3.31Å; L155-W172 HydrophobicContact CD1-CE3 4.17Å; L155-W172 HydrophobicContact CD1-CH2 3.39Å; L155-W172 HydrophobicContact CD1-CZ3 3.1Å; L155-W172 HydrophobicContact CD2-CZ3 4.21Å; L155-W172 HydrophobicContact CG-CE3 4.46Å; L155-W172 HydrophobicContact CG-CH2 3.73Å; L155-W172 HydrophobicContact CG-CZ3 3.63Å |
| 156 | T | 85.8 | Confident | 82.9 | Confident | 68 Ų | 68 | 72 Ų | 72 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 171.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Y152 C153 S160 | Y152-T156 PolarHBondContact O-N 3.18Å; Y152-T156 VanDerWaalsContact O-N 3.08Å; Y152-T156 PolarHBondContact O-OG1 2.96Å; Y152-T156 VanDerWaalsContact O-OG1 3.06Å; C153-T156 PolarHBondContact O-N 2.89Å; T156-S160 WeakPolarHBondContact O-CB 3.38Å; T156-S160 PolarHBondContact O-N 3.03Å |
| 157 | I | 85.4 | Confident | 82 | Confident | 111 Ų | 111 | 65.9 Ų | 65.9 | 57% | 0.569 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.9 | -47.6 | 177.8 | -65.1 | 168.1 | 0 | 0 | 0 | 110.8 | C153 T154 L155 E159 S160 I161 | C153-I157 WeakPolarHBondContact O-CG1 3.43Å; C153-I157 PolarHBondContact O-N 3.29Å; T154-I157 PolarHBondContact O-N 3.12Å; L155-I157 VanDerWaalsContact C-N 3.28Å; L155-I157 PolarHBondContact O-N 2.99Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.41Å; I157-S160 WeakPolarHBondContact O-CB 3.07Å; I157-S160 PolarHBondContact O-N 2.95Å; I157-I161 HydrophobicContact CG2-CD1 4.12Å; I157-I161 WeakPolarHBondContact O-CG1 3.34Å; I157-I161 PolarHBondContact O-N 3.26Å; I157-I161 VanDerWaalsContact O-N 3.09Å |
| 158 | R | 83.4 | Confident | 80.8 | Confident | 72 Ų | 72 | 75 Ų | 75 | 27% | 0.272 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | -179.8 | -69.9 | -176 | 178.9 | -163.1 | -0.1 | 112.7 | Y113 T154 L155 I161 L162 | Y113-R158 HydrophobicContact CD2-CB 3.75Å; Y113-R158 HydrophobicContact CE2-CB 4.12Å; T154-R158 WeakPolarHBondContact O-CG 3.12Å; T154-R158 PolarHBondContact O-N 3.36Å; T154-R158 VanDerWaalsContact O-N 3.09Å; L155-R158 PolarHBondContact O-N 3.06Å; R158-I161 PolarHBondContact O-N 3.41Å; R158-L162 PolarHBondContact O-N 3.03Å |
| 159 | E | 83.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176 | -177.7 | 161.3 | -143.4 | 0 | 0 | 111.3 | Y113 L155 I157 I161 L162 I163 I169 G171 W172 W173 | Y113-E159 HydrophobicContact CE2-CB 4.48Å; L155-E159 WeakPolarHBondContact O-CB 3.47Å; L155-E159 PolarHBondContact O-N 3.25Å; I157-E159 VanDerWaalsContact C-N 3.35Å; I157-E159 PolarHBondContact O-N 3.41Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 2.96Å; E159-L162 PolarHBondContact O-N 3.37Å; E159-I163 HydrophobicContact CG-CD1 3.8Å; E159-I163 HydrophobicContact CG-CG1 4.4Å; E159-I163 WeakPolarHBondContact O-CB 3.39Å; E159-I163 VanDerWaalsContact O-CG1 3.28Å; E159-I163 WeakPolarHBondContact O-CG1 3.42Å; E159-I163 PolarHBondContact O-N 2.61Å; E159-I169 HydrophobicContact CG-CD1 4.15Å; E159-G171 VanDerWaalsContact OE1-CA 3.3Å; E159-G171 WeakPolarHBondContact OE1-CA 3.35Å; E159-W172 PolarHBondContact OE1-N 3.05Å; E159-W173 VanDerWaalsContact CD-CZ3 3.44Å; E159-W173 HydrophobicContact CG-CH2 4.49Å; E159-W173 HydrophobicContact CG-CZ3 4Å; E159-W173 WeakPolarHBondContact OE2-CZ3 3.31Å |
| 160 | S | 80.3 | Confident | 78.7 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 54% | 0.538 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | T156 I157 I163 N164 | T156-S160 WeakPolarHBondContact O-CB 3.38Å; T156-S160 PolarHBondContact O-N 3.03Å; I157-S160 WeakPolarHBondContact O-CB 3.07Å; I157-S160 PolarHBondContact O-N 2.95Å; S160-I163 PolarHBondContact O-N 3.1Å; S160-N164 VanDerWaalsContact O-CB 3.32Å; S160-N164 WeakPolarHBondContact O-CB 3.4Å; S160-N164 PolarHBondContact O-N 3.18Å |
| 161 | I | 81.3 | Confident | 77.3 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 35% | 0.349 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.9 | -66.4 | 165.2 | 0 | 0 | 0 | 111.1 | Y109 I157 R158 E159 N164 N165 | Y109-I161 HydrophobicContact CE1-CB 4.21Å; Y109-I161 HydrophobicContact CE1-CG2 3.73Å; I157-I161 HydrophobicContact CG2-CD1 4.12Å; I157-I161 WeakPolarHBondContact O-CG1 3.34Å; I157-I161 PolarHBondContact O-N 3.26Å; I157-I161 VanDerWaalsContact O-N 3.09Å; R158-I161 PolarHBondContact O-N 3.41Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 2.96Å; I161-N164 PolarHBondContact O-N 3.14Å; I161-N165 WeakPolarHBondContact CG2-ND2 3.47Å; I161-N165 WeakPolarHBondContact O-CB 3.3Å; I161-N165 PolarHBondContact O-N 3.44Å; I161-N165 VanDerWaalsContact O-N 3.08Å; I161-N165 PolarHBondContact O-ND2 3.25Å |
| 162 | L | 79.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.5 | -43.2 | -179.9 | -83.5 | 158.9 | 0 | 0 | 0 | 112.1 | Y109 K110 Y113 R158 E159 N165 G166 S167 I169 | Y109-L162 HydrophobicContact CD1-CD1 4.22Å; Y109-L162 HydrophobicContact CD1-CD2 3.54Å; Y109-L162 HydrophobicContact CD1-CG 3.59Å; Y109-L162 HydrophobicContact CE1-CD1 4.2Å; Y109-L162 HydrophobicContact CE1-CD2 4.19Å; Y109-L162 HydrophobicContact CE1-CG 3.69Å; K110-L162 HydrophobicContact CB-CD2 3.95Å; Y113-L162 HydrophobicContact CD1-CD1 3.77Å; Y113-L162 HydrophobicContact CD2-CD1 3.87Å; Y113-L162 HydrophobicContact CE1-CD1 4.37Å; Y113-L162 HydrophobicContact CE2-CD1 4.44Å; Y113-L162 HydrophobicContact CG-CD1 3.49Å; Y113-L162 VanDerWaalsContact CG-CD1 3.49Å; R158-L162 PolarHBondContact O-N 3.03Å; E159-L162 PolarHBondContact O-N 3.37Å; L162-N165 PolarHBondContact O-N 3.3Å; L162-G166 PolarHBondContact O-N 2.9Å; L162-S167 WeakPolarHBondContact O-CB 3.4Å; L162-S167 PolarHBondContact O-N 2.94Å; L162-S167 PolarHBondContact O-OG 3.24Å; L162-I169 HydrophobicContact CB-CD1 3.22Å; L162-I169 HydrophobicContact CB-CG1 4.23Å; L162-I169 HydrophobicContact CD1-CD1 3.8Å; L162-I169 HydrophobicContact CG-CD1 4.05Å |
| 163 | I | 76.4 | Confident | 75.1 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 177.1 | -68.7 | 167.7 | 0 | 0 | 0 | 110.4 | E159 S160 N165 G166 I169 W173 | E159-I163 HydrophobicContact CG-CD1 3.8Å; E159-I163 HydrophobicContact CG-CG1 4.4Å; E159-I163 WeakPolarHBondContact O-CB 3.39Å; E159-I163 VanDerWaalsContact O-CG1 3.28Å; E159-I163 WeakPolarHBondContact O-CG1 3.42Å; E159-I163 PolarHBondContact O-N 2.61Å; S160-I163 PolarHBondContact O-N 3.1Å; I163-N165 PolarHBondContact O-N 3.11Å; I163-G166 PolarHBondContact O-N 2.96Å; I163-I169 HydrophobicContact CG1-CD1 4.23Å; I163-I169 HydrophobicContact CG1-CG1 4.3Å; I163-W173 HydrophobicContact CD1-CH2 4.35Å |
| 164 | N | 71.4 | Confident | 72.9 | Confident | 145 Ų | 145 | 83.9 Ų | 83.9 | 78% | 0.775 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.9 | -27.3 | 179.6 | -162.7 | 34.1 | 0 | 0 | 0 | 112.8 | S160 I161 G166 | S160-N164 VanDerWaalsContact O-CB 3.32Å; S160-N164 WeakPolarHBondContact O-CB 3.4Å; S160-N164 PolarHBondContact O-N 3.18Å; I161-N164 PolarHBondContact O-N 3.14Å; N164-G166 PolarHBondContact O-N 3.38Å |
| 165 | N | 71.3 | Confident | 72.1 | Confident | 122 Ų | 122 | 86.7 Ų | 86.7 | 65% | 0.652 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 10.9 | 172.4 | -75.6 | -60.5 | 0 | 0 | 0 | 113.8 | I161 L162 I163 S167 | I161-N165 WeakPolarHBondContact CG2-ND2 3.47Å; I161-N165 WeakPolarHBondContact O-CB 3.3Å; I161-N165 PolarHBondContact O-N 3.44Å; I161-N165 VanDerWaalsContact O-N 3.08Å; I161-N165 PolarHBondContact O-ND2 3.25Å; L162-N165 PolarHBondContact O-N 3.3Å; I163-N165 PolarHBondContact O-N 3.11Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 3.22Å |
| 166 | G | 66.1 | Low | 71.4 | Confident | 63 Ų | 63 | 91.2 Ų | 91.2 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 12.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L162 I163 N164 R168 | L162-G166 PolarHBondContact O-N 2.9Å; I163-G166 PolarHBondContact O-N 2.96Å; N164-G166 PolarHBondContact O-N 3.38Å; G166-R168 PolarHBondContact O-N 2.8Å |
| 167 | S | 69.3 | Low | 70.6 | Confident | 26 Ų | 26 | 92.5 Ų | 92.5 | 18% | 0.182 | 47% | 0.474 | C | S | . | . | trans | -71.6 | 122.9 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | L162 N165 I169 | L162-S167 WeakPolarHBondContact O-CB 3.4Å; L162-S167 PolarHBondContact O-N 2.94Å; L162-S167 PolarHBondContact O-OG 3.24Å; N165-S167 VanDerWaalsContact C-N 3.34Å; N165-S167 PolarHBondContact O-N 3.22Å; S167-I169 WeakPolarHBondContact O-CG1 3.42Å; S167-I169 PolarHBondContact O-N 3.43Å | ||
| 168 | R | 61.8 | Low | 69.8 | Low | 239 Ų | 239 | 91.4 Ų | 91.4 | 90% | 0.902 | 47% | 0.469 | S | S | * | . | trans | -73.3 | 96.2 | 170.3 | -67.5 | 179.9 | 75 | 167.2 | 3.3 | 109.5 | K110 G166 | K110-R168 PolarHBondContact NZ-O 2.98Å; K110-R168 VanDerWaalsContact NZ-O 3.12Å; G166-R168 PolarHBondContact O-N 2.8Å | ||
| 169 | I | 70.1 | Confident | 68.9 | Low | 38 Ų | 38 | 92.6 Ų | 92.6 | 20% | 0.195 | 48% | 0.481 | C | S | . | . | trans | -119.6 | 137.9 | 169.1 | 3.1 | 172.5 | 0 | 0 | 0 | 107.5 | E159 L162 I163 S167 | E159-I169 HydrophobicContact CG-CD1 4.15Å; L162-I169 HydrophobicContact CB-CD1 3.22Å; L162-I169 HydrophobicContact CB-CG1 4.23Å; L162-I169 HydrophobicContact CD1-CD1 3.8Å; L162-I169 HydrophobicContact CG-CD1 4.05Å; I163-I169 HydrophobicContact CG1-CD1 4.23Å; I163-I169 HydrophobicContact CG1-CG1 4.3Å; S167-I169 WeakPolarHBondContact O-CG1 3.42Å; S167-I169 PolarHBondContact O-N 3.43Å | ||
| 170 | K | 60.5 | Low | 68 | Low | 200 Ų | 200 | 98.7 Ų | 98.7 | 87% | 0.87 | 51% | 0.513 | S | S | * | . | trans | -77.5 | 127.4 | 169.6 | -68.8 | -174.9 | 177.6 | -179.1 | 0 | 106.7 | W172 | K170-W172 PolarHBondContact O-N 3.24Š| ||
| 171 | G | 61.2 | Low | 67.1 | Low | 23 Ų | 23 | 100.3 Ų | 100.3 | 24% | 0.237 | 51% | 0.511 | C | S | . | . | trans | -48.2 | 126.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | E159 W173 | E159-G171 VanDerWaalsContact OE1-CA 3.3Å; E159-G171 WeakPolarHBondContact OE1-CA 3.35Å; G171-W173 PolarHBondContact O-N 3.26Å | ||
| 172 | W | 65.3 | Low | 66 | Low | 58 Ų | 58 | 102.8 Ų | 102.8 | 22% | 0.22 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.4 | -176.6 | 78.2 | -18.1 | 0 | 0 | 0 | 114.3 | Y151 Y152 L155 E159 K170 | Y151-W172 HydrophobicContact CE1-CH2 4.39Å; Y151-W172 HydrophobicContact CE1-CZ3 4.14Å; Y152-W172 AromaticContact CD1-CH2 3.62Å; Y152-W172 HydrophobicContact CD1-CH2 3.62Å; Y152-W172 AromaticContact CD1-CZ2 3.57Å; Y152-W172 HydrophobicContact CD1-CZ2 3.57Å; Y152-W172 HydrophobicContact CE1-CH2 4.15Å; Y152-W172 HydrophobicContact CE1-CZ2 4.26Å; Y152-W172 HydrophobicContact CG-CH2 4.38Å; Y152-W172 HydrophobicContact CG-CZ2 4.47Å; L155-W172 HydrophobicContact CB-CE3 4.01Å; L155-W172 HydrophobicContact CB-CH2 3.01Å; L155-W172 HydrophobicContact CB-CZ2 3.49Å; L155-W172 VanDerWaalsContact CB-CZ2 3.49Å; L155-W172 HydrophobicContact CB-CZ3 3.31Å; L155-W172 HydrophobicContact CD1-CE3 4.17Å; L155-W172 HydrophobicContact CD1-CH2 3.39Å; L155-W172 HydrophobicContact CD1-CZ3 3.1Å; L155-W172 HydrophobicContact CD2-CZ3 4.21Å; L155-W172 HydrophobicContact CG-CE3 4.46Å; L155-W172 HydrophobicContact CG-CH2 3.73Å; L155-W172 HydrophobicContact CG-CZ3 3.63Å; E159-W172 PolarHBondContact OE1-N 3.05Å; K170-W172 PolarHBondContact O-N 3.24Å |
| 173 | W | 64 | Low | 64.9 | Low | 158 Ų | 158 | 111.2 Ų | 111.2 | 60% | 0.598 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 9.1 | -171.9 | 65.4 | 74.8 | 0 | 0 | 0 | 111.8 | E159 I163 G171 | E159-W173 VanDerWaalsContact CD-CZ3 3.44Å; E159-W173 HydrophobicContact CG-CH2 4.49Å; E159-W173 HydrophobicContact CG-CZ3 4Å; E159-W173 WeakPolarHBondContact OE2-CZ3 3.31Å; I163-W173 HydrophobicContact CD1-CH2 4.35Å; G171-W173 PolarHBondContact O-N 3.26Å |
| 174 | V | 41.3 | Very low | 63.8 | Low | 180 Ų | 180 | 113.8 Ų | 113.8 | 100% | 1.091 | 58% | 0.579 | S | S | * | * | trans | -102.2 | 0 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 174 of 174 residues in 326.2 ms
(Link to these results)