| 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 | 45.2 | Very low | 67.5 | Low | 238 Ų | 238 | 142.4 Ų | 142.4 | 100% | 1.172 | 77% | 0.773 | S | S | * | * | 0 | 105.6 | 0 | -59.5 | -67.5 | -165.5 | 0 | 0 | 106.5 | S3 | M1-S3 PolarHBondContact O-N 3.19Š| |||
| 2 | A | 58.4 | Low | 67.2 | Low | 106 Ų | 106 | 149.2 Ų | 149.2 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 126.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | S | 64.7 | Low | 66.5 | Low | 112 Ų | 112 | 145.8 Ų | 145.8 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 139.3 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | M1 S5 | M1-S3 PolarHBondContact O-N 3.19Å; S3-S5 PolarHBondContact O-N 2.73Å |
| 4 | P | 70.1 | Confident | 66 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 131.3 | 178.3 | 24.3 | -31.7 | 0 | 0 | 0 | 110.2 | ||
| 5 | S | 73.6 | Confident | 65.4 | Low | 73 Ų | 73 | 143.1 Ų | 143.1 | 51% | 0.51 | 76% | 0.755 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 129.8 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | S3 H7 D8 | S3-S5 PolarHBondContact O-N 2.73Å; S5-H7 PolarHBondContact O-N 3.2Å; S5-D8 PolarHBondContact O-N 2.96Å; S5-D8 VanDerWaalsContact O-N 3.12Å |
| 6 | P | 67.5 | Low | 64.6 | Low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -1.5 | -178.6 | 25.4 | -33.3 | 0 | 0 | 0 | 114.4 | ||
| 7 | H | 76.7 | Confident | 64 | Low | 150 Ų | 150 | 141 Ų | 141 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 25.2 | 176.4 | -61.2 | -62 | 0 | 0 | 0 | 113.1 | S5 R9 | S5-H7 PolarHBondContact O-N 3.2Å; H7-R9 PolarHBondContact O-N 3.46Å |
| 8 | D | 71.6 | Confident | 63.7 | Low | 108 Ų | 108 | 142 Ų | 142 | 58% | 0.578 | 75% | 0.746 | S | S | * | * | trans | -65.5 | 104.3 | 172.3 | -162.4 | -77.2 | 0 | 0 | 0 | 110 | S5 S10 | S5-D8 PolarHBondContact O-N 2.96Å; S5-D8 VanDerWaalsContact O-N 3.12Å; D8-S10 PolarHBondContact O-N 3.33Å; D8-S10 WeakPolarHBondContact OD1-CB 3.26Å; D8-S10 PolarHBondContact OD1-N 3.29Å; D8-S10 PolarHBondContact OD1-OG 2.94Å | ||
| 9 | R | 74.3 | Confident | 63.9 | Low | 230 Ų | 230 | 141.8 Ų | 141.8 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -83.2 | 14.3 | 178.9 | -70.1 | -168.1 | 176.6 | 107.5 | -2 | 112.8 | H7 R11 | H7-R9 PolarHBondContact O-N 3.46Å; R9-R11 PolarHBondContact O-N 2.92Å | ||
| 10 | S | 72.8 | Confident | 64.3 | Low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | trans | -74.6 | 63.2 | 175.5 | -42.4 | 0 | 0 | 0 | 0 | 109.9 | D8 R12 | D8-S10 PolarHBondContact O-N 3.33Å; D8-S10 WeakPolarHBondContact OD1-CB 3.26Å; D8-S10 PolarHBondContact OD1-N 3.29Å; D8-S10 PolarHBondContact OD1-OG 2.94Å; S10-R12 PolarHBondContact O-N 3.29Å; S10-R12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | R | 67.6 | Low | 65.3 | Low | 218 Ų | 218 | 138.6 Ų | 138.6 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | trans | -67.2 | 110.4 | 166.4 | -164 | 178.4 | -163.8 | -139.4 | 0.9 | 106 | R9 | R9-R11 PolarHBondContact O-N 2.92Š| ||
| 12 | R | 64.5 | Low | 67.4 | Low | 224 Ų | 224 | 131.9 Ų | 131.9 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -57.1 | 129.1 | 166.3 | -70 | -178.4 | 163.1 | -157 | -5.9 | 107.2 | S10 S14 | S10-R12 PolarHBondContact O-N 3.29Å; S10-R12 VanDerWaalsContact O-N 3.09Å; R12-S14 PolarHBondContact O-N 3.47Å | ||
| 13 | P | 57.2 | Low | 69 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | trans | -59.6 | 113.2 | 170.3 | -17.9 | 30.1 | 0 | 0 | 0 | 107.5 | ||||
| 14 | S | 60.2 | Low | 70.2 | Confident | 57 Ų | 57 | 126.2 Ų | 126.2 | 40% | 0.399 | 64% | 0.643 | S | S | . | * | trans | -62.4 | 143.6 | 161.8 | 28.1 | 0 | 0 | 0 | 0 | 107.8 | R12 D16 | R12-S14 PolarHBondContact O-N 3.47Å; S14-D16 PolarHBondContact O-N 3.38Å | ||
| 15 | E | 56.7 | Low | 71.3 | Confident | 194 Ų | 194 | 123.9 Ų | 123.9 | 91% | 0.907 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -65.4 | -6.9 | -177 | -64.9 | 176.8 | 93.9 | 0 | 0 | 112.4 | Q17 | E15-Q17 PolarHBondContact O-N 3.08Å; E15-Q17 VanDerWaalsContact O-N 3.1Å |
| 16 | D | 52.9 | Low | 72.2 | Confident | 96 Ų | 96 | 126 Ų | 126 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | trans | -80.5 | 43.8 | 175.5 | -48.8 | -94.5 | 0 | 0 | 0 | 113.8 | S14 D18 E19 | S14-D16 PolarHBondContact O-N 3.38Å; D16-D18 PolarHBondContact O-N 2.93Å; D16-E19 HydrophobicContact CB-CG 3.85Å; D16-E19 VanDerWaalsContact CB-OE2 3.24Å; D16-E19 WeakPolarHBondContact CB-OE2 3.06Å; D16-E19 WeakPolarHBondContact O-CG 3.44Å; D16-E19 PolarHBondContact O-N 3.44Å | ||
| 17 | Q | 54.8 | Low | 73.5 | Confident | 155 Ų | 155 | 120.8 Ų | 120.8 | 72% | 0.724 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -4.5 | 179.9 | -120.4 | 159.5 | 107.3 | 0 | 0 | 114 | E15 | E15-Q17 PolarHBondContact O-N 3.08Å; E15-Q17 VanDerWaalsContact O-N 3.1Å |
| 18 | D | 57 | Low | 74.3 | Confident | 159 Ų | 159 | 116.8 Ų | 116.8 | 85% | 0.85 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 6.8 | 173.7 | -61.4 | -79.5 | 0 | 0 | 0 | 113 | D16 E20 | D16-D18 PolarHBondContact O-N 2.93Å; D18-E20 PolarHBondContact O-N 3.44Å |
| 19 | E | 68.5 | Low | 75.4 | Confident | 138 Ų | 138 | 121 Ų | 121 | 65% | 0.645 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -74.2 | 117.5 | 171.6 | -66 | -174.8 | 107.8 | 0 | 0 | 109.6 | D16 D21 | D16-E19 HydrophobicContact CB-CG 3.85Å; D16-E19 VanDerWaalsContact CB-OE2 3.24Å; D16-E19 WeakPolarHBondContact CB-OE2 3.06Å; D16-E19 WeakPolarHBondContact O-CG 3.44Å; D16-E19 PolarHBondContact O-N 3.44Å; E19-D21 PolarHBondContact O-N 3.32Å |
| 20 | E | 70.9 | Confident | 76.4 | Confident | 136 Ų | 136 | 111.2 Ų | 111.2 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 133.3 | 172.2 | -63.4 | -178.9 | 87.9 | 0 | 0 | 110.1 | D18 Q25 | D18-E20 PolarHBondContact O-N 3.44Å; E20-Q25 HydrophobicContact CB-CG 3.79Å; E20-Q25 PolarHBondContact O-NE2 2.04Å |
| 21 | D | 86.2 | Confident | 77.4 | Confident | 80 Ų | 80 | 110 Ų | 110 | 43% | 0.428 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 128.5 | -176.3 | 178.8 | -85 | 0 | 0 | 0 | 110.3 | E19 V23 D24 Q25 | E19-D21 PolarHBondContact O-N 3.32Å; D21-V23 PolarHBondContact O-N 3.13Å; D21-V23 VanDerWaalsContact OD1-CA 3.26Å; D21-V23 WeakPolarHBondContact OD1-CA 3.32Å; D21-V23 WeakPolarHBondContact OD1-CB 3.47Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.45Å; D21-V23 PolarHBondContact OD1-N 3.49Å; D21-D24 HydrophobicContact CB-CB 4.19Å; D21-D24 WeakPolarHBondContact O-CA 3.3Å; D21-D24 WeakPolarHBondContact O-CB 3.48Å; D21-D24 PolarHBondContact O-N 2.94Å; D21-D24 PolarHBondContact OD1-N 3.2Å; D21-Q25 PolarHBondContact O-N 2.96Å |
| 22 | P | 89.9 | Confident | 78.8 | Confident | 97 Ų | 97 | 99.6 Ų | 99.6 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -56.3 | -27.1 | -176.5 | -28.1 | 34.7 | 0 | 0 | 0 | 113.9 | M26 | P22-M26 WeakPolarHBondContact O-CB 3.45Å; P22-M26 PolarHBondContact O-N 3.35Å; P22-M26 VanDerWaalsContact O-N 3.16Å |
| 23 | V | 90.2 | Very high | 80.4 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.3 | -44.1 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | D21 Q25 M26 I27 | D21-V23 PolarHBondContact O-N 3.13Å; D21-V23 VanDerWaalsContact OD1-CA 3.26Å; D21-V23 WeakPolarHBondContact OD1-CA 3.32Å; D21-V23 WeakPolarHBondContact OD1-CB 3.47Å; D21-V23 WeakPolarHBondContact OD1-CG2 3.45Å; D21-V23 PolarHBondContact OD1-N 3.49Å; V23-Q25 VanDerWaalsContact C-N 3.34Å; V23-Q25 PolarHBondContact O-N 3.46Å; V23-M26 HydrophobicContact CG1-CE 4.3Å; V23-M26 WeakPolarHBondContact O-CB 3.34Å; V23-M26 PolarHBondContact O-N 3.4Å; V23-M26 VanDerWaalsContact O-N 3.16Å; V23-I27 HydrophobicContact CG1-CD1 3.72Å; V23-I27 HydrophobicContact CG1-CG1 4.31Å; V23-I27 VanDerWaalsContact O-CG1 3.26Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.02Å |
| 24 | D | 91.2 | Very high | 82.2 | Confident | 28 Ų | 28 | 92.8 Ų | 92.8 | 15% | 0.15 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 173.3 | -84.7 | -64.5 | 0 | 0 | 0 | 111.6 | D21 M26 I27 S28 H36 | D21-D24 HydrophobicContact CB-CB 4.19Å; D21-D24 WeakPolarHBondContact O-CA 3.3Å; D21-D24 WeakPolarHBondContact O-CB 3.48Å; D21-D24 PolarHBondContact O-N 2.94Å; D21-D24 PolarHBondContact OD1-N 3.2Å; D24-M26 VanDerWaalsContact C-N 3.29Å; D24-M26 PolarHBondContact O-N 3.31Å; D24-I27 PolarHBondContact O-N 3.39Å; D24-S28 PolarHBondContact O-N 2.87Å; D24-S28 PolarHBondContact O-OG 3.34Å; D24-S28 VanDerWaalsContact O-OG 3.13Å; D24-H36 IonicContact OD1-CE1 2.92Å; D24-H36 PolarHBondContact OD1-CE1 2.88Å; D24-H36 IonicContact OD1-ND1 2.85Å; D24-H36 PolarHBondContact OD1-ND1 2.86Å; D24-H36 IonicContact OD2-CE1 3.83Å |
| 25 | Q | 92.3 | Very high | 84 | Confident | 70 Ų | 70 | 92.7 Ų | 92.7 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 175.5 | -67.7 | -174.9 | 49.5 | 0 | 0 | 112.4 | E20 D21 V23 R29 | E20-Q25 HydrophobicContact CB-CG 3.79Å; E20-Q25 PolarHBondContact O-NE2 2.04Å; D21-Q25 PolarHBondContact O-N 2.96Å; V23-Q25 VanDerWaalsContact C-N 3.34Å; V23-Q25 PolarHBondContact O-N 3.46Å; Q25-R29 WeakPolarHBondContact O-CG 3.09Å |
| 26 | M | 92.7 | Very high | 85.9 | Confident | 117 Ų | 117 | 84.9 Ų | 84.9 | 58% | 0.576 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | 177.4 | 178.9 | 177.7 | 59.7 | 0 | 0 | 111.7 | P22 V23 D24 R29 | P22-M26 WeakPolarHBondContact O-CB 3.45Å; P22-M26 PolarHBondContact O-N 3.35Å; P22-M26 VanDerWaalsContact O-N 3.16Å; V23-M26 HydrophobicContact CG1-CE 4.3Å; V23-M26 WeakPolarHBondContact O-CB 3.34Å; V23-M26 PolarHBondContact O-N 3.4Å; V23-M26 VanDerWaalsContact O-N 3.16Å; D24-M26 VanDerWaalsContact C-N 3.29Å; D24-M26 PolarHBondContact O-N 3.31Å; M26-R29 PolarHBondContact O-N 3.01Å |
| 27 | I | 95.3 | Very high | 88 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 5% | 0.051 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -69.6 | -37.7 | -178.4 | -67.5 | 168.3 | 0 | 0 | 0 | 111 | V23 D24 R29 T30 H36 F59 M63 | V23-I27 HydrophobicContact CG1-CD1 3.72Å; V23-I27 HydrophobicContact CG1-CG1 4.31Å; V23-I27 VanDerWaalsContact O-CG1 3.26Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.02Å; D24-I27 PolarHBondContact O-N 3.39Å; I27-R29 PolarHBondContact O-N 3.42Å; I27-T30 PolarHBondContact O-N 3.4Å; I27-T30 PolarHBondContact O-OG1 3.12Å; I27-H36 HydrophobicContact CD1-CB 4.34Å; I27-H36 HydrophobicContact CG2-CB 3.82Å; I27-F59 HydrophobicContact CD1-CE2 4.5Å; I27-F59 HydrophobicContact CD1-CZ 3.88Å; I27-F59 HydrophobicContact CG1-CZ 4.32Å; I27-F59 HydrophobicContact CG2-CE2 3.92Å; I27-F59 HydrophobicContact CG2-CZ 4.3Å; I27-M63 HydrophobicContact CG1-CE 4.2Å; I27-M63 HydrophobicContact CG2-CE 4.19Å |
| 28 | S | 93.1 | Very high | 90 | Very high | 66 Ų | 66 | 79.2 Ų | 79.2 | 46% | 0.462 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.4 | -33.4 | 175.6 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | D24 T30 G31 | D24-S28 PolarHBondContact O-N 2.87Å; D24-S28 PolarHBondContact O-OG 3.34Å; D24-S28 VanDerWaalsContact O-OG 3.13Å; S28-T30 VanDerWaalsContact C-N 3.3Å; S28-T30 PolarHBondContact O-N 3.38Å; S28-G31 PolarHBondContact O-N 3.5Å |
| 29 | R | 94.1 | Very high | 91.9 | Very high | 197 Ų | 197 | 72.2 Ų | 72.2 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -18.3 | 176.1 | -64.3 | 172.5 | -171.5 | 177.2 | 4.7 | 114.1 | Q25 M26 I27 | Q25-R29 WeakPolarHBondContact O-CG 3.09Å; M26-R29 PolarHBondContact O-N 3.01Å; I27-R29 PolarHBondContact O-N 3.42Å |
| 30 | T | 95.2 | Very high | 93.2 | Very high | 24 Ų | 24 | 69 Ų | 69 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -12.6 | -179.7 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | I27 S28 C32 M63 F66 | I27-T30 PolarHBondContact O-N 3.4Å; I27-T30 PolarHBondContact O-OG1 3.12Å; S28-T30 VanDerWaalsContact C-N 3.3Å; S28-T30 PolarHBondContact O-N 3.38Å; T30-C32 VanDerWaalsContact C-N 3.25Å; T30-C32 WeakPolarHBondContact OG1-CB 3.4Å; T30-C32 PolarHBondContact OG1-N 3.3Å; T30-M63 HydrophobicContact CG2-CE 4.43Å; T30-M63 HydrophobicContact CG2-SD 3.86Å; T30-F66 HydrophobicContact CG2-CD1 3.68Å; T30-F66 HydrophobicContact CG2-CD2 4.24Å; T30-F66 HydrophobicContact CG2-CE1 3.53Å; T30-F66 HydrophobicContact CG2-CE2 4.11Å; T30-F66 HydrophobicContact CG2-CG 4.04Å; T30-F66 HydrophobicContact CG2-CZ 3.76Å |
| 31 | G | 95.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 69.1 Ų | 69.1 | 69% | 0.691 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 4.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | S28 | S28-G31 PolarHBondContact O-N 3.5Š|
| 32 | C | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -96.3 | 14.3 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | T30 L35 H36 F59 C62 M63 | T30-C32 VanDerWaalsContact C-N 3.25Å; T30-C32 WeakPolarHBondContact OG1-CB 3.4Å; T30-C32 PolarHBondContact OG1-N 3.3Å; C32-L35 PolarHBondContact O-N 3Å; C32-H36 PolarHBondContact O-N 2.92Å; C32-H36 VanDerWaalsContact O-N 3.15Å; C32-F59 HydrophobicContact CB-CD2 4.24Å; C32-F59 HydrophobicContact CB-CE2 4.01Å; C32-C62 VanDerWaalsContact CA-SG 3.53Å; C32-C62 HydrophobicContact CB-CB 3.94Å; C32-C62 WeakPolarHBondContact CB-SG 3.41Å; C32-C62 WeakPolarHBondContact SG-CB 3.48Å; C32-C62 CovalentContact SG-SG 2.04Å; C32-C62 PolarHBondContact SG-SG 3.23Å; C32-M63 HydrophobicContact CB-CE 3.85Å | ||
| 33 | G | 96.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -48.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | L35 H36 Y37 | G33-L35 PolarHBondContact O-N 3.45Å; G33-H36 WeakPolarHBondContact O-CA 3.47Å; G33-H36 VanDerWaalsContact O-CB 3.28Å; G33-H36 WeakPolarHBondContact O-CB 3.19Å; G33-H36 PolarHBondContact O-N 2.96Å; G33-Y37 WeakPolarHBondContact O-CD2 3.48Å; G33-Y37 PolarHBondContact O-N 3.1Å |
| 34 | E | 96.4 | Very high | 95.5 | Very high | 175 Ų | 175 | 65.6 Ų | 65.6 | 82% | 0.818 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60 | -37.3 | 179.5 | -62.5 | -176.8 | 139.6 | 0 | 0 | 112.3 | H36 Y37 A38 | E34-H36 VanDerWaalsContact C-N 3.32Å; E34-H36 PolarHBondContact O-N 3.11Å; E34-Y37 PolarHBondContact O-N 2.81Å; E34-A38 WeakPolarHBondContact O-CB 3.36Å; E34-A38 PolarHBondContact O-N 2.91Å |
| 35 | L | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.3 | -30.2 | 177.2 | -63.6 | 174.9 | 0 | 0 | 0 | 112.2 | C32 G33 V39 T58 F59 C62 | C32-L35 PolarHBondContact O-N 3Å; G33-L35 PolarHBondContact O-N 3.45Å; L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 3.39Å; L35-T58 HydrophobicContact CD1-CG2 3.97Å; L35-T58 HydrophobicContact CD2-CG2 3.58Å; L35-T58 HydrophobicContact CG-CG2 4.4Å; L35-F59 HydrophobicContact CB-CB 4.14Å; L35-F59 HydrophobicContact CB-CD2 3.92Å; L35-C62 HydrophobicContact CD1-CB 3.54Å |
| 36 | H | 97.4 | Very high | 95.8 | Very high | 29 Ų | 29 | 71.8 Ų | 71.8 | 13% | 0.134 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.2 | -47.8 | 171.8 | 178.3 | -128.3 | 0 | 0 | 0 | 111 | D24 I27 C32 G33 E34 A38 V39 Q40 F59 | D24-H36 IonicContact OD1-CE1 2.92Å; D24-H36 PolarHBondContact OD1-CE1 2.88Å; D24-H36 IonicContact OD1-ND1 2.85Å; D24-H36 PolarHBondContact OD1-ND1 2.86Å; D24-H36 IonicContact OD2-CE1 3.83Å; I27-H36 HydrophobicContact CD1-CB 4.34Å; I27-H36 HydrophobicContact CG2-CB 3.82Å; C32-H36 PolarHBondContact O-N 2.92Å; C32-H36 VanDerWaalsContact O-N 3.15Å; G33-H36 WeakPolarHBondContact O-CA 3.47Å; G33-H36 VanDerWaalsContact O-CB 3.28Å; G33-H36 WeakPolarHBondContact O-CB 3.19Å; G33-H36 PolarHBondContact O-N 2.96Å; E34-H36 VanDerWaalsContact C-N 3.32Å; E34-H36 PolarHBondContact O-N 3.11Å; H36-A38 VanDerWaalsContact C-N 3.34Å; H36-A38 PolarHBondContact O-N 3.19Å; H36-V39 WeakPolarHBondContact O-CB 3.26Å; H36-V39 PolarHBondContact O-N 2.95Å; H36-V39 VanDerWaalsContact O-N 3.11Å; H36-Q40 PolarHBondContact CE1-NE2 2.93Å; H36-Q40 PolarHBondContact ND1-NE2 3.44Å; H36-Q40 PolarHBondContact NE2-NE2 3.37Å; H36-Q40 PolarHBondContact O-N 2.89Å; H36-F59 HydrophobicContact CB-CD2 4.15Å; H36-F59 HydrophobicContact CB-CE2 3.7Å; H36-F59 HydrophobicContact CB-CZ 4.23Å |
| 37 | Y | 96.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 74.8 Ų | 74.8 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 176 | -67.4 | -59.2 | 0 | 0 | 0 | 112.1 | G33 E34 V39 Q40 E41 | G33-Y37 WeakPolarHBondContact O-CD2 3.48Å; G33-Y37 PolarHBondContact O-N 3.1Å; E34-Y37 PolarHBondContact O-N 2.81Å; Y37-V39 PolarHBondContact O-N 2.97Å; Y37-Q40 CarbonylContact O-C 3.58Å; Y37-Q40 WeakPolarHBondContact O-CA 3.06Å; Y37-Q40 WeakPolarHBondContact O-CB 3.37Å; Y37-Q40 PolarHBondContact O-N 3.46Å; Y37-E41 WeakPolarHBondContact O-CG 3.33Å; Y37-E41 PolarHBondContact O-N 3.04Å |
| 38 | A | 96.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 76.7 Ų | 76.7 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.1 | -33.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E34 H36 C42 | E34-A38 WeakPolarHBondContact O-CB 3.36Å; E34-A38 PolarHBondContact O-N 2.91Å; H36-A38 VanDerWaalsContact C-N 3.34Å; H36-A38 PolarHBondContact O-N 3.19Å; A38-C42 WeakPolarHBondContact O-CB 3.28Å; A38-C42 PolarHBondContact O-N 3.49Å; A38-C42 VanDerWaalsContact O-N 3.15Å |
| 39 | V | 96.6 | Very high | 95.6 | Very high | 11 Ų | 11 | 81.1 Ų | 81.1 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 173 | 169.4 | 0 | 0 | 0 | 0 | 111 | L35 H36 Y37 C42 M43 Q55 V56 F59 | L35-V39 WeakPolarHBondContact O-CG2 3.28Å; L35-V39 PolarHBondContact O-N 3.39Å; H36-V39 WeakPolarHBondContact O-CB 3.26Å; H36-V39 PolarHBondContact O-N 2.95Å; H36-V39 VanDerWaalsContact O-N 3.11Å; Y37-V39 PolarHBondContact O-N 2.97Å; V39-C42 PolarHBondContact O-N 3.01Å; V39-M43 HydrophobicContact CG1-CE 3.59Å; V39-M43 WeakPolarHBondContact O-CG 3.48Å; V39-M43 PolarHBondContact O-N 3.25Å; V39-Q55 VanDerWaalsContact CG2-C 3.42Å; V39-Q55 HydrophobicContact CG2-CB 3.67Å; V39-Q55 WeakPolarHBondContact CG2-O 3.49Å; V39-V56 HydrophobicContact CG1-CG2 3.95Å; V39-V56 HydrophobicContact CG2-CG2 4.13Å; V39-F59 HydrophobicContact CG2-CB 4.05Å |
| 40 | Q | 96.2 | Very high | 95.7 | Very high | 71 Ų | 71 | 79.5 Ų | 79.5 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176 | -66.8 | -177.3 | 4.4 | 0 | 0 | 111.7 | H36 Y37 C42 M43 A44 | H36-Q40 PolarHBondContact CE1-NE2 2.93Å; H36-Q40 PolarHBondContact ND1-NE2 3.44Å; H36-Q40 PolarHBondContact NE2-NE2 3.37Å; H36-Q40 PolarHBondContact O-N 2.89Å; Y37-Q40 CarbonylContact O-C 3.58Å; Y37-Q40 WeakPolarHBondContact O-CA 3.06Å; Y37-Q40 WeakPolarHBondContact O-CB 3.37Å; Y37-Q40 PolarHBondContact O-N 3.46Å; Q40-C42 PolarHBondContact O-N 3.32Å; Q40-M43 CarbonylContact O-C 3.58Å; Q40-M43 PolarHBondContact O-N 3.16Å; Q40-A44 WeakPolarHBondContact O-CB 3.48Å; Q40-A44 PolarHBondContact O-N 3.37Å |
| 41 | E | 96.6 | Very high | 95.7 | Very high | 138 Ų | 138 | 84.8 Ų | 84.8 | 65% | 0.645 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 177.1 | -72.3 | 179.1 | 144 | 0 | 0 | 111.4 | Y37 M43 A44 E45 | Y37-E41 WeakPolarHBondContact O-CG 3.33Å; Y37-E41 PolarHBondContact O-N 3.04Å; E41-M43 VanDerWaalsContact C-N 3.32Å; E41-M43 PolarHBondContact O-N 3.32Å; E41-A44 PolarHBondContact O-N 3.46Å; E41-E45 PolarHBondContact O-N 3.01Å |
| 42 | C | 97.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 81.6 Ų | 81.6 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | A38 V39 Q40 E45 H46 C52 Q55 | A38-C42 WeakPolarHBondContact O-CB 3.28Å; A38-C42 PolarHBondContact O-N 3.49Å; A38-C42 VanDerWaalsContact O-N 3.15Å; V39-C42 PolarHBondContact O-N 3.01Å; Q40-C42 PolarHBondContact O-N 3.32Å; C42-E45 PolarHBondContact O-N 2.86Å; C42-H46 WeakPolarHBondContact O-CB 3.3Å; C42-H46 PolarHBondContact O-N 3.15Å; C42-C52 HydrophobicContact CB-CB 3.88Å; C42-C52 WeakPolarHBondContact CB-SG 3.42Å; C42-C52 PolarHBondContact O-SG 2.94Å; C42-C52 VanDerWaalsContact O-SG 3.39Å; C42-C52 WeakPolarHBondContact SG-CA 3.44Å; C42-C52 WeakPolarHBondContact SG-CB 3.08Å; C42-C52 CovalentContact SG-SG 2.04Å; C42-C52 PolarHBondContact SG-SG 3.46Å; C42-Q55 HydrophobicContact CB-CG 4.16Å |
| 43 | M | 96.1 | Very high | 95.7 | Very high | 89 Ų | 89 | 87.1 Ų | 87.1 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.9 | -34 | 176.1 | -73.6 | -161.3 | -82.5 | 0 | 0 | 112.3 | V39 Q40 E41 Q47 | V39-M43 HydrophobicContact CG1-CE 3.59Å; V39-M43 WeakPolarHBondContact O-CG 3.48Å; V39-M43 PolarHBondContact O-N 3.25Å; Q40-M43 CarbonylContact O-C 3.58Å; Q40-M43 PolarHBondContact O-N 3.16Å; E41-M43 VanDerWaalsContact C-N 3.32Å; E41-M43 PolarHBondContact O-N 3.32Å; M43-Q47 WeakPolarHBondContact O-CA 3.32Å; M43-Q47 WeakPolarHBondContact O-CG 3.49Å; M43-Q47 PolarHBondContact O-N 3.23Å |
| 44 | A | 95.9 | Very high | 95.7 | Very high | 78 Ų | 78 | 96.4 Ų | 96.4 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.3 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q40 E41 | Q40-A44 WeakPolarHBondContact O-CB 3.48Å; Q40-A44 PolarHBondContact O-N 3.37Å; E41-A44 PolarHBondContact O-N 3.46Å |
| 45 | E | 96.3 | Very high | 95.8 | Very high | 152 Ų | 152 | 91 Ų | 91 | 71% | 0.71 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -76.1 | -46.3 | 179.3 | -174.5 | 176.3 | 86.8 | 0 | 0 | 112.7 | E41 C42 | E41-E45 PolarHBondContact O-N 3.01Å; C42-E45 PolarHBondContact O-N 2.86Å |
| 46 | H | 93.8 | Very high | 95.7 | Very high | 76 Ų | 76 | 91.3 Ų | 91.3 | 35% | 0.352 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -102.5 | -26.1 | -169.8 | -66 | -31.3 | 0 | 0 | 0 | 114.5 | C42 D48 K51 | C42-H46 WeakPolarHBondContact O-CB 3.3Å; C42-H46 PolarHBondContact O-N 3.15Å; H46-D48 PolarHBondContact O-N 3.48Å; H46-K51 HydrophobicContact CB-CB 4.39Å; H46-K51 HydrophobicContact CB-CD 4.22Å |
| 47 | Q | 93.3 | Very high | 95.7 | Very high | 179 Ų | 179 | 94 Ų | 94 | 84% | 0.836 | 44% | 0.438 | S | S | * | . | trans | 52 | 16.1 | -172.8 | -53.9 | -175 | -64.8 | 0 | 0 | 114.6 | M43 | M43-Q47 WeakPolarHBondContact O-CA 3.32Å; M43-Q47 WeakPolarHBondContact O-CG 3.49Å; M43-Q47 PolarHBondContact O-N 3.23Å | ||
| 48 | D | 92.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 92.2 Ų | 92.2 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | trans | -128.5 | 106.4 | 178.4 | -175.8 | -8 | 0 | 0 | 0 | 108.9 | H46 R50 K51 | H46-D48 PolarHBondContact O-N 3.48Å; D48-R50 PolarHBondContact O-N 3.24Å; D48-R50 VanDerWaalsContact O-N 3.1Å; D48-R50 VanDerWaalsContact OD1-CB 3.29Å; D48-R50 WeakPolarHBondContact OD1-CB 3.24Å; D48-R50 WeakPolarHBondContact OD1-CG 3.26Å; D48-R50 PolarHBondContact OD1-N 3.12Å; D48-K51 HydrophobicContact CB-CD 4.38Å; D48-K51 HydrophobicContact CB-CG 4.36Å; D48-K51 PolarHBondContact O-N 3.48Å | ||
| 49 | W | 91.1 | Very high | 95.8 | Very high | 159 Ų | 159 | 92.7 Ų | 92.7 | 60% | 0.602 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.3 | -178.8 | 75 | -91.5 | 0 | 0 | 0 | 112.9 | K51 C52 Q53 | W49-K51 VanDerWaalsContact C-N 3.28Å; W49-K51 PolarHBondContact O-N 3.08Å; W49-C52 CarbonylContact O-C 3.55Å; W49-C52 PolarHBondContact O-N 3.34Å; W49-C52 VanDerWaalsContact O-N 3.1Å; W49-Q53 PolarHBondContact O-N 3.48Å |
| 50 | R | 95.3 | Very high | 95.9 | Very high | 163 Ų | 163 | 97.4 Ų | 97.4 | 62% | 0.615 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -32 | 177.6 | -62 | -177.9 | -178.4 | 126.9 | -3.7 | 111.7 | D48 C52 Q53 | D48-R50 PolarHBondContact O-N 3.24Å; D48-R50 VanDerWaalsContact O-N 3.1Å; D48-R50 VanDerWaalsContact OD1-CB 3.29Å; D48-R50 WeakPolarHBondContact OD1-CB 3.24Å; D48-R50 WeakPolarHBondContact OD1-CG 3.26Å; D48-R50 PolarHBondContact OD1-N 3.12Å; R50-C52 VanDerWaalsContact C-N 3.28Å; R50-Q53 VanDerWaalsContact O-CG 3.29Å; R50-Q53 WeakPolarHBondContact O-CG 3.02Å |
| 51 | K | 94.8 | Very high | 96 | Very high | 135 Ų | 135 | 97.3 Ų | 97.3 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.3 | 174.4 | -63.5 | -177.3 | -178.3 | 175.2 | 0 | 112.1 | H46 D48 W49 | H46-K51 HydrophobicContact CB-CB 4.39Å; H46-K51 HydrophobicContact CB-CD 4.22Å; D48-K51 HydrophobicContact CB-CD 4.38Å; D48-K51 HydrophobicContact CB-CG 4.36Å; D48-K51 PolarHBondContact O-N 3.48Å; W49-K51 VanDerWaalsContact C-N 3.28Å; W49-K51 PolarHBondContact O-N 3.08Å |
| 52 | C | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 12.3 | 179.9 | -56.4 | 0 | 0 | 0 | 0 | 114.4 | C42 W49 R50 R54 Q55 V56 | C42-C52 HydrophobicContact CB-CB 3.88Å; C42-C52 WeakPolarHBondContact CB-SG 3.42Å; C42-C52 PolarHBondContact O-SG 2.94Å; C42-C52 VanDerWaalsContact O-SG 3.39Å; C42-C52 WeakPolarHBondContact SG-CA 3.44Å; C42-C52 WeakPolarHBondContact SG-CB 3.08Å; C42-C52 CovalentContact SG-SG 2.04Å; C42-C52 PolarHBondContact SG-SG 3.46Å; W49-C52 CarbonylContact O-C 3.55Å; W49-C52 PolarHBondContact O-N 3.34Å; W49-C52 VanDerWaalsContact O-N 3.1Å; R50-C52 VanDerWaalsContact C-N 3.28Å; C52-R54 PolarHBondContact O-N 3.35Å; C52-Q55 PolarHBondContact O-N 2.93Å; C52-Q55 PolarHBondContact O-OE1 3.27Å; C52-V56 HydrophobicContact CB-CG2 4.5Å; C52-V56 VanDerWaalsContact O-CG2 3.3Å; C52-V56 WeakPolarHBondContact O-CG2 3.47Å; C52-V56 PolarHBondContact O-N 3.31Å |
| 53 | Q | 96.7 | Very high | 96 | Very high | 116 Ų | 116 | 93.5 Ų | 93.5 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -55.3 | -36.8 | -177.7 | -81.4 | 178.4 | 7.9 | 0 | 0 | 113 | W49 R50 Q57 | W49-Q53 PolarHBondContact O-N 3.48Å; R50-Q53 VanDerWaalsContact O-CG 3.29Å; R50-Q53 WeakPolarHBondContact O-CG 3.02Å; Q53-Q57 WeakPolarHBondContact O-CB 3.45Å; Q53-Q57 PolarHBondContact O-N 2.96Å |
| 54 | R | 96.7 | Very high | 96.1 | Very high | 206 Ų | 206 | 92.5 Ų | 92.5 | 78% | 0.777 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.9 | -50.5 | -179.9 | -173.9 | 179.4 | -177.8 | 168.5 | 0.6 | 111.3 | C52 V56 Q57 T58 | C52-R54 PolarHBondContact O-N 3.35Å; R54-V56 VanDerWaalsContact C-N 3.34Å; R54-V56 PolarHBondContact O-N 3.37Å; R54-Q57 PolarHBondContact O-N 3.02Å; R54-T58 PolarHBondContact O-N 3.33Å; R54-T58 PolarHBondContact O-OG1 3.03Å; R54-T58 VanDerWaalsContact O-OG1 3.08Å |
| 55 | Q | 96.6 | Very high | 96.2 | Very high | 63 Ų | 63 | 93.2 Ų | 93.2 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 179.2 | -64.1 | 79 | -4.4 | 0 | 0 | 110.3 | V39 C42 C52 Q57 T58 F59 | V39-Q55 VanDerWaalsContact CG2-C 3.42Å; V39-Q55 HydrophobicContact CG2-CB 3.67Å; V39-Q55 WeakPolarHBondContact CG2-O 3.49Å; C42-Q55 HydrophobicContact CB-CG 4.16Å; C52-Q55 PolarHBondContact O-N 2.93Å; C52-Q55 PolarHBondContact O-OE1 3.27Å; Q55-Q57 VanDerWaalsContact C-N 3.35Å; Q55-Q57 PolarHBondContact O-N 2.95Å; Q55-T58 PolarHBondContact O-N 2.77Å; Q55-F59 WeakPolarHBondContact O-CB 3.43Å; Q55-F59 PolarHBondContact O-N 3.28Å |
| 56 | V | 96.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 89.2 Ų | 89.2 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -41 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | V39 C52 R54 F59 K60 | V39-V56 HydrophobicContact CG1-CG2 3.95Å; V39-V56 HydrophobicContact CG2-CG2 4.13Å; C52-V56 HydrophobicContact CB-CG2 4.5Å; C52-V56 VanDerWaalsContact O-CG2 3.3Å; C52-V56 WeakPolarHBondContact O-CG2 3.47Å; C52-V56 PolarHBondContact O-N 3.31Å; R54-V56 VanDerWaalsContact C-N 3.34Å; R54-V56 PolarHBondContact O-N 3.37Å; V56-F59 PolarHBondContact O-N 2.96Å; V56-K60 VanDerWaalsContact O-CB 3.31Å; V56-K60 WeakPolarHBondContact O-CB 3.49Å; V56-K60 PolarHBondContact O-N 2.92Å |
| 57 | Q | 98 | Very high | 96.3 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 177.9 | -176.1 | 56.5 | 61.7 | 0 | 0 | 111.2 | Q53 R54 Q55 F59 K60 D61 | Q53-Q57 WeakPolarHBondContact O-CB 3.45Å; Q53-Q57 PolarHBondContact O-N 2.96Å; R54-Q57 PolarHBondContact O-N 3.02Å; Q55-Q57 VanDerWaalsContact C-N 3.35Å; Q55-Q57 PolarHBondContact O-N 2.95Å; Q57-F59 PolarHBondContact O-N 3.16Å; Q57-K60 WeakPolarHBondContact O-CB 3.37Å; Q57-K60 PolarHBondContact O-N 2.85Å; Q57-D61 PolarHBondContact NE2-OD1 3.01Å; Q57-D61 PolarHBondContact NE2-OD2 3.11Å; Q57-D61 VanDerWaalsContact O-CG 3.29Å; Q57-D61 PolarHBondContact O-N 3.21Å; Q57-D61 VanDerWaalsContact O-OD2 3.12Å |
| 58 | T | 97.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.2 | -52.7 | 0 | 0 | 0 | 0 | 111.9 | L35 R54 Q55 K60 D61 C62 | L35-T58 HydrophobicContact CD1-CG2 3.97Å; L35-T58 HydrophobicContact CD2-CG2 3.58Å; L35-T58 HydrophobicContact CG-CG2 4.4Å; R54-T58 PolarHBondContact O-N 3.33Å; R54-T58 PolarHBondContact O-OG1 3.03Å; R54-T58 VanDerWaalsContact O-OG1 3.08Å; Q55-T58 PolarHBondContact O-N 2.77Å; T58-K60 PolarHBondContact O-N 2.8Å; T58-D61 PolarHBondContact O-N 3.01Å; T58-C62 PolarHBondContact O-N 3.15Å; T58-C62 VanDerWaalsContact O-N 3.12Å |
| 59 | F | 97.8 | Very high | 96.6 | Very high | 41 Ų | 41 | 88.7 Ų | 88.7 | 18% | 0.18 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.8 | 177.4 | -113.7 | 0 | 0 | 0 | 112.1 | I27 C32 L35 H36 V39 Q55 V56 Q57 D61 C62 M63 | I27-F59 HydrophobicContact CD1-CE2 4.5Å; I27-F59 HydrophobicContact CD1-CZ 3.88Å; I27-F59 HydrophobicContact CG1-CZ 4.32Å; I27-F59 HydrophobicContact CG2-CE2 3.92Å; I27-F59 HydrophobicContact CG2-CZ 4.3Å; C32-F59 HydrophobicContact CB-CD2 4.24Å; C32-F59 HydrophobicContact CB-CE2 4.01Å; L35-F59 HydrophobicContact CB-CB 4.14Å; L35-F59 HydrophobicContact CB-CD2 3.92Å; H36-F59 HydrophobicContact CB-CD2 4.15Å; H36-F59 HydrophobicContact CB-CE2 3.7Å; H36-F59 HydrophobicContact CB-CZ 4.23Å; V39-F59 HydrophobicContact CG2-CB 4.05Å; Q55-F59 WeakPolarHBondContact O-CB 3.43Å; Q55-F59 PolarHBondContact O-N 3.28Å; V56-F59 PolarHBondContact O-N 2.96Å; Q57-F59 PolarHBondContact O-N 3.16Å; F59-D61 PolarHBondContact O-N 2.87Å; F59-C62 PolarHBondContact O-N 3.38Å; F59-M63 HydrophobicContact CE1-CE 4.41Å; F59-M63 HydrophobicContact CE2-CE 3.55Å; F59-M63 HydrophobicContact CZ-CE 3.47Å; F59-M63 VanDerWaalsContact CZ-CE 3.47Å; F59-M63 PolarHBondContact O-N 3.35Å |
| 60 | K | 97.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 89.2 Ų | 89.2 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 176.6 | 179.1 | -176.5 | 174.8 | -174.8 | 0 | 111.9 | V56 Q57 T58 C62 M63 M64 | V56-K60 VanDerWaalsContact O-CB 3.31Å; V56-K60 WeakPolarHBondContact O-CB 3.49Å; V56-K60 PolarHBondContact O-N 2.92Å; Q57-K60 WeakPolarHBondContact O-CB 3.37Å; Q57-K60 PolarHBondContact O-N 2.85Å; T58-K60 PolarHBondContact O-N 2.8Å; K60-C62 VanDerWaalsContact C-N 3.35Å; K60-C62 PolarHBondContact O-N 3.4Å; K60-M63 PolarHBondContact O-N 3.29Å; K60-M64 HydrophobicContact CG-CE 4.39Å; K60-M64 HydrophobicContact CG-CG 4.36Å; K60-M64 HydrophobicContact CG-SD 4.41Å; K60-M64 WeakPolarHBondContact O-CB 3.45Å; K60-M64 WeakPolarHBondContact O-CG 3.2Å; K60-M64 PolarHBondContact O-N 2.98Å |
| 61 | D | 98.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 87.8 Ų | 87.8 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | -179 | -68.2 | -33.7 | 0 | 0 | 0 | 112.1 | Q57 T58 F59 M64 T65 | Q57-D61 PolarHBondContact NE2-OD1 3.01Å; Q57-D61 PolarHBondContact NE2-OD2 3.11Å; Q57-D61 VanDerWaalsContact O-CG 3.29Å; Q57-D61 PolarHBondContact O-N 3.21Å; Q57-D61 VanDerWaalsContact O-OD2 3.12Å; T58-D61 PolarHBondContact O-N 3.01Å; F59-D61 PolarHBondContact O-N 2.87Å; D61-M64 WeakPolarHBondContact OD1-CE 3.31Å; D61-T65 PolarHBondContact O-N 3.45Å; D61-T65 VanDerWaalsContact O-N 3.1Å; D61-T65 PolarHBondContact O-OG1 3.23Å |
| 62 | C | 97.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 87.7 Ų | 87.7 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59 | -50.6 | 172 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | C32 L35 T58 F59 K60 M64 T65 F66 | C32-C62 VanDerWaalsContact CA-SG 3.53Å; C32-C62 HydrophobicContact CB-CB 3.94Å; C32-C62 WeakPolarHBondContact CB-SG 3.41Å; C32-C62 WeakPolarHBondContact SG-CB 3.48Å; C32-C62 CovalentContact SG-SG 2.04Å; C32-C62 PolarHBondContact SG-SG 3.23Å; L35-C62 HydrophobicContact CD1-CB 3.54Å; T58-C62 PolarHBondContact O-N 3.15Å; T58-C62 VanDerWaalsContact O-N 3.12Å; F59-C62 PolarHBondContact O-N 3.38Å; K60-C62 VanDerWaalsContact C-N 3.35Å; K60-C62 PolarHBondContact O-N 3.4Å; C62-M64 PolarHBondContact O-N 2.92Å; C62-T65 WeakPolarHBondContact O-CB 3.4Å; C62-T65 PolarHBondContact O-N 3.47Å; C62-T65 VanDerWaalsContact O-N 3.12Å; C62-F66 PolarHBondContact O-N 3.29Å |
| 63 | M | 97.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 93.2 Ų | 93.2 | 15% | 0.153 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | -176.7 | -157.7 | 61.7 | 68.2 | 0 | 0 | 112.7 | I27 T30 C32 F59 K60 T65 F66 Q67 | I27-M63 HydrophobicContact CG1-CE 4.2Å; I27-M63 HydrophobicContact CG2-CE 4.19Å; T30-M63 HydrophobicContact CG2-CE 4.43Å; T30-M63 HydrophobicContact CG2-SD 3.86Å; C32-M63 HydrophobicContact CB-CE 3.85Å; F59-M63 HydrophobicContact CE1-CE 4.41Å; F59-M63 HydrophobicContact CE2-CE 3.55Å; F59-M63 HydrophobicContact CZ-CE 3.47Å; F59-M63 VanDerWaalsContact CZ-CE 3.47Å; F59-M63 PolarHBondContact O-N 3.35Å; K60-M63 PolarHBondContact O-N 3.29Å; M63-T65 VanDerWaalsContact C-N 3.31Å; M63-T65 PolarHBondContact O-N 3.5Å; M63-F66 PolarHBondContact O-N 3.18Å; M63-F66 HydrophobicContact SD-CD1 4.4Å; M63-Q67 WeakPolarHBondContact O-CG 3.45Å; M63-Q67 PolarHBondContact O-N 2.88Å |
| 64 | M | 97.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 93.6 Ų | 93.6 | 34% | 0.335 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 173.3 | -75.2 | -167 | -54.1 | 0 | 0 | 111.8 | K60 D61 C62 Q67 K68 | K60-M64 HydrophobicContact CG-CE 4.39Å; K60-M64 HydrophobicContact CG-CG 4.36Å; K60-M64 HydrophobicContact CG-SD 4.41Å; K60-M64 WeakPolarHBondContact O-CB 3.45Å; K60-M64 WeakPolarHBondContact O-CG 3.2Å; K60-M64 PolarHBondContact O-N 2.98Å; D61-M64 WeakPolarHBondContact OD1-CE 3.31Å; C62-M64 PolarHBondContact O-N 2.92Å; M64-Q67 PolarHBondContact O-N 3.1Å; M64-K68 VanDerWaalsContact O-CG 3.3Å; M64-K68 WeakPolarHBondContact O-CG 3.48Å; M64-K68 PolarHBondContact O-N 3.44Å |
| 65 | T | 97.1 | Very high | 96.2 | Very high | 93 Ų | 93 | 89.1 Ų | 89.1 | 57% | 0.571 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 177.1 | -58 | 0 | 0 | 0 | 0 | 110.6 | D61 C62 M63 Q67 K68 A69 | D61-T65 PolarHBondContact O-N 3.45Å; D61-T65 VanDerWaalsContact O-N 3.1Å; D61-T65 PolarHBondContact O-OG1 3.23Å; C62-T65 WeakPolarHBondContact O-CB 3.4Å; C62-T65 PolarHBondContact O-N 3.47Å; C62-T65 VanDerWaalsContact O-N 3.12Å; M63-T65 VanDerWaalsContact C-N 3.31Å; M63-T65 PolarHBondContact O-N 3.5Å; T65-Q67 PolarHBondContact O-N 3.07Å; T65-K68 PolarHBondContact O-N 2.9Å; T65-A69 PolarHBondContact O-N 3.18Å |
| 66 | F | 96.5 | Very high | 95.9 | Very high | 68 Ų | 68 | 95.3 Ų | 95.3 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 173.9 | 175.2 | -98.6 | 0 | 0 | 0 | 112.2 | T30 C62 M63 K68 A69 R70 | T30-F66 HydrophobicContact CG2-CD1 3.68Å; T30-F66 HydrophobicContact CG2-CD2 4.24Å; T30-F66 HydrophobicContact CG2-CE1 3.53Å; T30-F66 HydrophobicContact CG2-CE2 4.11Å; T30-F66 HydrophobicContact CG2-CG 4.04Å; T30-F66 HydrophobicContact CG2-CZ 3.76Å; C62-F66 PolarHBondContact O-N 3.29Å; M63-F66 PolarHBondContact O-N 3.18Å; M63-F66 HydrophobicContact SD-CD1 4.4Å; F66-K68 VanDerWaalsContact C-N 3.35Å; F66-K68 PolarHBondContact O-N 2.79Å; F66-A69 PolarHBondContact O-N 3.2Å; F66-R70 WeakPolarHBondContact O-CB 3.37Å; F66-R70 PolarHBondContact O-N 3.39Å |
| 67 | Q | 96.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.1 | -40.4 | 179.1 | -74.6 | -178.1 | 28.8 | 0 | 0 | 112.6 | M63 M64 T65 R70 K71 | M63-Q67 WeakPolarHBondContact O-CG 3.45Å; M63-Q67 PolarHBondContact O-N 2.88Å; M64-Q67 PolarHBondContact O-N 3.1Å; T65-Q67 PolarHBondContact O-N 3.07Å; Q67-R70 PolarHBondContact O-N 3.41Å; Q67-K71 WeakPolarHBondContact O-CB 2.98Å; Q67-K71 PolarHBondContact O-N 3.1Å |
| 68 | K | 96.8 | Very high | 94.2 | Very high | 134 Ų | 134 | 103.8 Ų | 103.8 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -50.8 | 175.4 | -72.6 | 172.3 | -175.8 | 178.6 | 0 | 111.1 | M64 T65 F66 R70 K71 E72 | M64-K68 VanDerWaalsContact O-CG 3.3Å; M64-K68 WeakPolarHBondContact O-CG 3.48Å; M64-K68 PolarHBondContact O-N 3.44Å; T65-K68 PolarHBondContact O-N 2.9Å; F66-K68 VanDerWaalsContact C-N 3.35Å; F66-K68 PolarHBondContact O-N 2.79Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.99Å; K68-K71 WeakPolarHBondContact O-CB 3.33Å; K68-K71 PolarHBondContact O-N 3.4Å; K68-K71 VanDerWaalsContact O-N 3.11Å; K68-E72 WeakPolarHBondContact O-CG 3.4Å; K68-E72 PolarHBondContact O-N 3.43Å |
| 69 | A | 95.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 104.9 Ų | 104.9 | 31% | 0.314 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | T65 F66 K71 E72 Q73 | T65-A69 PolarHBondContact O-N 3.18Å; F66-A69 PolarHBondContact O-N 3.2Å; A69-K71 VanDerWaalsContact C-N 3.34Å; A69-K71 PolarHBondContact O-N 3.49Å; A69-E72 PolarHBondContact O-N 2.04Å; A69-Q73 WeakPolarHBondContact O-CB 3.45Å; A69-Q73 VanDerWaalsContact O-CG 3.3Å; A69-Q73 WeakPolarHBondContact O-CG 3.3Å; A69-Q73 PolarHBondContact O-N 3.02Å |
| 70 | R | 94.5 | Very high | 90.7 | Very high | 170 Ų | 170 | 108.6 Ų | 108.6 | 64% | 0.642 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -40.7 | 176.1 | -171.9 | -178.5 | 179.2 | -167.6 | 0.6 | 112 | F66 Q67 K68 Q73 L74 | F66-R70 WeakPolarHBondContact O-CB 3.37Å; F66-R70 PolarHBondContact O-N 3.39Å; Q67-R70 PolarHBondContact O-N 3.41Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.99Å; R70-Q73 PolarHBondContact O-N 2.9Å; R70-L74 WeakPolarHBondContact O-CB 3.06Å; R70-L74 PolarHBondContact O-N 2.91Å |
| 71 | K | 95.6 | Very high | 88.7 | Confident | 133 Ų | 133 | 109 Ų | 109 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 176.8 | -174.5 | -178 | -177.5 | -177.9 | 0 | 111.4 | Q67 K68 A69 L74 M75 | Q67-K71 WeakPolarHBondContact O-CB 2.98Å; Q67-K71 PolarHBondContact O-N 3.1Å; K68-K71 WeakPolarHBondContact O-CB 3.33Å; K68-K71 PolarHBondContact O-N 3.4Å; K68-K71 VanDerWaalsContact O-N 3.11Å; A69-K71 VanDerWaalsContact C-N 3.34Å; A69-K71 PolarHBondContact O-N 3.49Å; K71-L74 PolarHBondContact O-N 3.05Å; K71-M75 HydrophobicContact CD-CE 4.2Å; K71-M75 VanDerWaalsContact CE-CE 3.41Å; K71-M75 HydrophobicContact CG-CE 3.98Å; K71-M75 HydrophobicContact CG-SD 4.31Å; K71-M75 VanDerWaalsContact O-CG 3.28Å; K71-M75 WeakPolarHBondContact O-CG 3.45Å; K71-M75 PolarHBondContact O-N 2.77Å |
| 72 | E | 95.1 | Very high | 86.9 | Confident | 133 Ų | 133 | 114.3 Ų | 114.3 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 176.9 | -70.4 | 173.1 | 175.8 | 0 | 0 | 111.7 | K68 A69 L74 M75 K76 | K68-E72 WeakPolarHBondContact O-CG 3.4Å; K68-E72 PolarHBondContact O-N 3.43Å; A69-E72 PolarHBondContact O-N 2.04Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3.1Å; E72-M75 PolarHBondContact O-N 3.36Å; E72-K76 WeakPolarHBondContact O-CB 3.16Å; E72-K76 PolarHBondContact O-N 2.68Å |
| 73 | Q | 93 | Very high | 84.8 | Confident | 116 Ų | 116 | 117.9 Ų | 117.9 | 54% | 0.542 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.6 | -42.4 | 174.4 | -74 | 178 | 5.4 | 0 | 0 | 112 | A69 R70 K76 Q77 | A69-Q73 WeakPolarHBondContact O-CB 3.45Å; A69-Q73 VanDerWaalsContact O-CG 3.3Å; A69-Q73 WeakPolarHBondContact O-CG 3.3Å; A69-Q73 PolarHBondContact O-N 3.02Å; R70-Q73 PolarHBondContact O-N 2.9Å; Q73-K76 PolarHBondContact O-N 2.87Å; Q73-Q77 WeakPolarHBondContact O-CB 3.49Å; Q73-Q77 VanDerWaalsContact O-CG 3.26Å; Q73-Q77 WeakPolarHBondContact O-CG 3.29Å; Q73-Q77 PolarHBondContact O-N 3.04Å; Q73-Q77 PolarHBondContact O-NE2 3.12Å |
| 74 | L | 93.4 | Very high | 82.4 | Confident | 125 Ų | 125 | 125 Ų | 125 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.1 | -40.8 | 177.1 | -178.3 | 63.7 | 0 | 0 | 0 | 111.7 | R70 K71 E72 K76 Q77 R78 | R70-L74 WeakPolarHBondContact O-CB 3.06Å; R70-L74 PolarHBondContact O-N 2.91Å; K71-L74 PolarHBondContact O-N 3.05Å; E72-L74 VanDerWaalsContact C-N 3.34Å; E72-L74 PolarHBondContact O-N 3.1Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.94Å; L74-Q77 PolarHBondContact O-N 3Å; L74-R78 PolarHBondContact O-N 3.09Å; L74-R78 VanDerWaalsContact O-N 3.08Å |
| 75 | M | 92.6 | Very high | 81.6 | Confident | 112 Ų | 112 | 127.9 Ų | 127.9 | 55% | 0.552 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -61.2 | -41.3 | 175 | -73.6 | 172.6 | 166.9 | 0 | 0 | 111.8 | K71 E72 R78 | K71-M75 HydrophobicContact CD-CE 4.2Å; K71-M75 VanDerWaalsContact CE-CE 3.41Å; K71-M75 HydrophobicContact CG-CE 3.98Å; K71-M75 HydrophobicContact CG-SD 4.31Å; K71-M75 VanDerWaalsContact O-CG 3.28Å; K71-M75 WeakPolarHBondContact O-CG 3.45Å; K71-M75 PolarHBondContact O-N 2.77Å; E72-M75 PolarHBondContact O-N 3.36Å; M75-R78 WeakPolarHBondContact O-CB 2.97Å; M75-R78 PolarHBondContact O-N 2.95Å |
| 76 | K | 89.2 | Confident | 80.8 | Confident | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.6 | -31.3 | 178.3 | -170.9 | 169.8 | -178.9 | 178.7 | 0 | 113 | E72 Q73 L74 R78 | E72-K76 WeakPolarHBondContact O-CB 3.16Å; E72-K76 PolarHBondContact O-N 2.68Å; Q73-K76 PolarHBondContact O-N 2.87Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.94Å; K76-R78 VanDerWaalsContact C-N 3.34Å |
| 77 | Q | 81.6 | Confident | 79.9 | Confident | 139 Ų | 139 | 133.1 Ų | 133.1 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -83 | -8.2 | 177.6 | -75.6 | 176.8 | 81.6 | 0 | 0 | 113.5 | Q73 L74 P79 | Q73-Q77 WeakPolarHBondContact O-CB 3.49Å; Q73-Q77 VanDerWaalsContact O-CG 3.26Å; Q73-Q77 WeakPolarHBondContact O-CG 3.29Å; Q73-Q77 PolarHBondContact O-N 3.04Å; Q73-Q77 PolarHBondContact O-NE2 3.12Å; L74-Q77 PolarHBondContact O-N 3Å; Q77-P79 WeakPolarHBondContact O-CD 3.29Å |
| 78 | R | 77.3 | Confident | 79 | Confident | 187 Ų | 187 | 133.8 Ų | 133.8 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -64.4 | 104.7 | 177.5 | -156.7 | 167.3 | 85 | -172.7 | 10 | 108.1 | L74 M75 K76 | L74-R78 PolarHBondContact O-N 3.09Å; L74-R78 VanDerWaalsContact O-N 3.08Å; M75-R78 WeakPolarHBondContact O-CB 2.97Å; M75-R78 PolarHBondContact O-N 2.95Å; K76-R78 VanDerWaalsContact C-N 3.34Å | ||
| 79 | P | 62.3 | Low | 77.9 | Confident | 87 Ų | 87 | 133.8 Ų | 133.8 | 57% | 0.565 | 71% | 0.708 | S | S | * | * | trans | -69.8 | 151.3 | 179.2 | 28.6 | -23.4 | 0 | 0 | 0 | 107.9 | Q77 T81 | Q77-P79 WeakPolarHBondContact O-CD 3.29Å; P79-T81 HydrophobicContact CB-CG2 4.11Å; P79-T81 HydrophobicContact CG-CG2 3.92Å; P79-T81 PolarHBondContact O-N 3.36Å | ||
| 80 | S | 60.1 | Low | 76.7 | Confident | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | trans | -66.5 | 51 | 174.8 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | E82 | S80-E82 PolarHBondContact O-N 3.49Š| ||
| 81 | T | 55.6 | Low | 75.4 | Confident | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -84.5 | 29.3 | 176.1 | 61.1 | 0 | 0 | 0 | 0 | 112.3 | P79 | P79-T81 HydrophobicContact CB-CG2 4.11Å; P79-T81 HydrophobicContact CG-CG2 3.92Å; P79-T81 PolarHBondContact O-N 3.36Å | ||
| 82 | E | 58.7 | Low | 73.9 | Confident | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -108.7 | 63.4 | 152.8 | -81.6 | -178.3 | 87 | 0 | 0 | 107.7 | S80 | S80-E82 PolarHBondContact O-N 3.49Š|
| 83 | S | 54.8 | Low | 72.1 | Confident | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -166.5 | 81.1 | 160.6 | -84.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 84 | A | 46.8 | Very low | 70.2 | Confident | 181 Ų | 181 | 140.9 Ų | 140.9 | 100% | 1.496 | 78% | 0.784 | S | S | * | * | trans | 175.8 | 0 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 84 of 84 residues in 81.6 ms
(Link to these results)