| 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 | 66.3 | Low | 81.4 | Confident | 229 Ų | 229 | 134.1 Ų | 134.1 | 100% | 1.128 | 74% | 0.736 | S | S | * | * | 0 | 111.3 | 0 | -174.3 | 171.3 | 175.8 | 0 | 0 | 105.8 | I3 | M1-I3 PolarHBondContact O-N 3.41Š| |||
| 2 | D | 76.2 | Confident | 81.3 | Confident | 153 Ų | 153 | 134.1 Ų | 134.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -75.8 | 124.6 | -175.3 | -60.8 | -47.6 | 0 | 0 | 0 | 109.7 | I4 | D2-I4 PolarHBondContact O-N 3.37Å; D2-I4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | I | 81.1 | Confident | 80.8 | Confident | 171 Ų | 171 | 132.8 Ų | 132.8 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | -81.6 | 93 | 179.6 | -57.7 | 171 | 0 | 0 | 0 | 107 | M1 N5 | M1-I3 PolarHBondContact O-N 3.41Å; I3-N5 PolarHBondContact O-N 3.48Å | ||
| 4 | I | 83.4 | Confident | 80 | Confident | 123 Ų | 123 | 132.6 Ų | 132.6 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | trans | -72.2 | 117.8 | 174 | -57.5 | 175.4 | 0 | 0 | 0 | 107.9 | D2 V6 | D2-I4 PolarHBondContact O-N 3.37Å; D2-I4 VanDerWaalsContact O-N 3.11Å; I4-V6 PolarHBondContact O-N 2.94Å | ||
| 5 | N | 85.4 | Confident | 79.5 | Confident | 99 Ų | 99 | 129.3 Ų | 129.3 | 53% | 0.529 | 71% | 0.711 | S | S | . | * | trans | -72 | 94.9 | 170.6 | -178.9 | 7.5 | 0 | 0 | 0 | 109 | I3 N7 A8 | I3-N5 PolarHBondContact O-N 3.48Å; N5-N7 PolarHBondContact O-N 3.05Å; N5-N7 VanDerWaalsContact O-N 3.12Å; N5-N7 WeakPolarHBondContact OD1-CB 3.46Å; N5-N7 PolarHBondContact OD1-N 3.48Å; N5-N7 VanDerWaalsContact OD1-N 3.12Å; N5-A8 HydrophobicContact CB-CB 4.13Å; N5-A8 WeakPolarHBondContact O-CB 3.33Å; N5-A8 PolarHBondContact O-N 3.45Å | ||
| 6 | V | 81.8 | Confident | 78.5 | Confident | 99 Ų | 99 | 132.1 Ų | 132.1 | 60% | 0.6 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -57 | -28.3 | -179.8 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | I4 A8 L9 | I4-V6 PolarHBondContact O-N 2.94Å; V6-A8 VanDerWaalsContact C-N 3.25Å; V6-A8 PolarHBondContact O-N 2.9Å; V6-L9 HydrophobicContact CG1-CD1 4.19Å; V6-L9 WeakPolarHBondContact O-CB 3.48Å; V6-L9 WeakPolarHBondContact O-CG 3.38Å; V6-L9 PolarHBondContact O-N 3.01Å |
| 7 | N | 84.8 | Confident | 77.7 | Confident | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -75.8 | -12.1 | 178.2 | -58.4 | -7 | 0 | 0 | 0 | 113.3 | N5 L9 | N5-N7 PolarHBondContact O-N 3.05Å; N5-N7 VanDerWaalsContact O-N 3.12Å; N5-N7 WeakPolarHBondContact OD1-CB 3.46Å; N5-N7 PolarHBondContact OD1-N 3.48Å; N5-N7 VanDerWaalsContact OD1-N 3.12Å; N7-L9 VanDerWaalsContact C-N 3.31Å |
| 8 | A | 86.8 | Confident | 76.6 | Confident | 74 Ų | 74 | 137.2 Ų | 137.2 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -87 | -3.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | N5 V6 | N5-A8 HydrophobicContact CB-CB 4.13Å; N5-A8 WeakPolarHBondContact O-CB 3.33Å; N5-A8 PolarHBondContact O-N 3.45Å; V6-A8 VanDerWaalsContact C-N 3.25Å; V6-A8 PolarHBondContact O-N 2.9Å |
| 9 | L | 84.6 | Confident | 76 | Confident | 102 Ų | 102 | 134.8 Ų | 134.8 | 53% | 0.534 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -76.1 | 130.2 | 176.5 | -60.7 | 177.9 | 0 | 0 | 0 | 109.7 | V6 N7 I11 | V6-L9 HydrophobicContact CG1-CD1 4.19Å; V6-L9 WeakPolarHBondContact O-CB 3.48Å; V6-L9 WeakPolarHBondContact O-CG 3.38Å; V6-L9 PolarHBondContact O-N 3.01Å; N7-L9 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.39Å |
| 10 | P | 83.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -65 | 120.5 | 178.2 | 25.6 | -32.3 | 0 | 0 | 0 | 110.1 | I12 | P10-I12 PolarHBondContact O-N 3.17Š| ||
| 11 | I | 81.9 | Confident | 75.8 | Confident | 161 Ų | 161 | 128.4 Ų | 128.4 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | trans | -80 | 107.7 | 172.2 | -58.5 | 176 | 0 | 0 | 0 | 107.4 | L9 P13 | L9-I11 PolarHBondContact O-N 3.39Å; I11-P13 WeakPolarHBondContact O-CD 3.34Å | ||
| 12 | I | 80.7 | Confident | 76.3 | Confident | 134 Ų | 134 | 121 Ų | 121 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 117 | 171.8 | -56.9 | 177.4 | 0 | 0 | 0 | 107 | P10 L14 | P10-I12 PolarHBondContact O-N 3.17Å; I12-L14 PolarHBondContact O-N 2.94Å; I12-L14 VanDerWaalsContact O-N 3.13Å |
| 13 | P | 74.4 | Confident | 76.5 | Confident | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.4 | 176.7 | 25 | -31.3 | 0 | 0 | 0 | 108.9 | I11 | I11-P13 WeakPolarHBondContact O-CD 3.34Š|
| 14 | L | 68.9 | Low | 76.6 | Confident | 131 Ų | 131 | 115.4 Ų | 115.4 | 69% | 0.686 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -80 | 125.3 | 170.1 | -110.7 | 79.7 | 0 | 0 | 0 | 108.3 | I12 E16 V19 | I12-L14 PolarHBondContact O-N 2.94Å; I12-L14 VanDerWaalsContact O-N 3.13Å; L14-E16 PolarHBondContact O-N 3.48Å; L14-V19 HydrophobicContact CD2-CG2 4.01Å |
| 15 | D | 72.9 | Confident | 76.5 | Confident | 83 Ų | 83 | 117 Ų | 117 | 44% | 0.444 | 64% | 0.636 | S | S | . | * | trans | -69 | 113.2 | 165.7 | -178.5 | -5.1 | 0 | 0 | 0 | 108.2 | R17 L18 V19 | D15-R17 PolarHBondContact O-N 3.33Å; D15-R17 VanDerWaalsContact O-N 3.13Å; D15-R17 VanDerWaalsContact OD1-CB 3.28Å; D15-R17 WeakPolarHBondContact OD1-CB 3.48Å; D15-R17 WeakPolarHBondContact OD1-CG 3.43Å; D15-R17 PolarHBondContact OD1-N 3.11Å; D15-L18 HydrophobicContact CB-CB 4.12Å; D15-L18 HydrophobicContact CB-CD1 3.85Å; D15-L18 HydrophobicContact CB-CG 3.93Å; D15-L18 CarbonylContact O-C 3.52Å; D15-L18 WeakPolarHBondContact O-CA 3.45Å; D15-L18 WeakPolarHBondContact O-CB 3.49Å; D15-L18 PolarHBondContact O-N 3.34Å; D15-V19 PolarHBondContact O-N 2.98Å | ||
| 16 | E | 63.2 | Low | 76.5 | Confident | 174 Ų | 174 | 115.9 Ų | 115.9 | 81% | 0.813 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -57.2 | -26.2 | 179.6 | -64.7 | -179.4 | 171.6 | 0 | 0 | 112.6 | L14 L18 V19 | L14-E16 PolarHBondContact O-N 3.48Å; E16-L18 PolarHBondContact O-N 3.41Å; E16-V19 PolarHBondContact O-N 3.26Å |
| 17 | R | 65 | Low | 76.8 | Confident | 228 Ų | 228 | 115.9 Ų | 115.9 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -75.1 | -16.6 | 176 | -54.9 | 179.9 | 177.7 | -167.7 | -0.3 | 112.8 | D15 | D15-R17 PolarHBondContact O-N 3.33Å; D15-R17 VanDerWaalsContact O-N 3.13Å; D15-R17 VanDerWaalsContact OD1-CB 3.28Å; D15-R17 WeakPolarHBondContact OD1-CB 3.48Å; D15-R17 WeakPolarHBondContact OD1-CG 3.43Å; D15-R17 PolarHBondContact OD1-N 3.11Å |
| 18 | L | 58.7 | Low | 76.9 | Confident | 127 Ų | 127 | 113.6 Ų | 113.6 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -103.9 | 4.7 | 175.7 | -59.7 | 178.4 | 0 | 0 | 0 | 112.1 | D15 E16 V20 | D15-L18 HydrophobicContact CB-CB 4.12Å; D15-L18 HydrophobicContact CB-CD1 3.85Å; D15-L18 HydrophobicContact CB-CG 3.93Å; D15-L18 CarbonylContact O-C 3.52Å; D15-L18 WeakPolarHBondContact O-CA 3.45Å; D15-L18 WeakPolarHBondContact O-CB 3.49Å; D15-L18 PolarHBondContact O-N 3.34Å; E16-L18 PolarHBondContact O-N 3.41Å; L18-V20 PolarHBondContact O-N 3.44Å |
| 19 | V | 65.4 | Low | 77 | Confident | 93 Ų | 93 | 114.2 Ų | 114.2 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | trans | -73.6 | 77.4 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | L14 D15 E16 | L14-V19 HydrophobicContact CD2-CG2 4.01Å; D15-V19 PolarHBondContact O-N 2.98Å; E16-V19 PolarHBondContact O-N 3.26Å | ||
| 20 | V | 69.1 | Low | 77.3 | Confident | 69 Ų | 69 | 113.5 Ų | 113.5 | 42% | 0.418 | 61% | 0.607 | S | S | . | * | trans | -84.5 | 132.1 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | L18 V24 R25 | L18-V20 PolarHBondContact O-N 3.44Å; V20-V24 HydrophobicContact CG1-CB 3.27Å; V20-V24 HydrophobicContact CG1-CG1 3.23Å; V20-R25 HydrophobicContact CG1-CB 4.47Å | ||
| 21 | S | 77.7 | Confident | 77.4 | Confident | 66 Ų | 66 | 110.4 Ų | 110.4 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | trans | -56.8 | 150.9 | 175.3 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | N23 V24 R25 | S21-N23 PolarHBondContact O-N 3.47Å; S21-N23 VanDerWaalsContact O-N 3.07Å; S21-V24 PolarHBondContact O-N 3.4Å; S21-V24 WeakPolarHBondContact OG-CG2 3.34Å; S21-V24 PolarHBondContact OG-N 3.2Å; S21-R25 PolarHBondContact O-N 3.02Å | ||
| 22 | A | 76.8 | Confident | 77.5 | Confident | 72 Ų | 72 | 107.2 Ų | 107.2 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -51 | -39.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R25 T26 | A22-R25 PolarHBondContact O-N 3.27Å; A22-T26 WeakPolarHBondContact O-CG2 3.42Å; A22-T26 PolarHBondContact O-N 3.38Å; A22-T26 PolarHBondContact O-OG1 2.91Å |
| 23 | N | 81.6 | Confident | 77.8 | Confident | 123 Ų | 123 | 109.2 Ų | 109.2 | 66% | 0.658 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -37.4 | 177 | -63.9 | 62.3 | 0 | 0 | 0 | 113.7 | S21 T26 V27 | S21-N23 PolarHBondContact O-N 3.47Å; S21-N23 VanDerWaalsContact O-N 3.07Å; N23-T26 PolarHBondContact O-OG1 3.36Å; N23-V27 VanDerWaalsContact O-CG2 3.27Å; N23-V27 WeakPolarHBondContact O-CG2 3.35Å; N23-V27 PolarHBondContact O-N 2.97Å |
| 24 | V | 81.8 | Confident | 78.5 | Confident | 84 Ų | 84 | 110.6 Ų | 110.6 | 51% | 0.509 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -76 | -31.2 | 178.6 | 177 | 0 | 0 | 0 | 0 | 110.2 | V20 S21 V27 L28 | V20-V24 HydrophobicContact CG1-CB 3.27Å; V20-V24 HydrophobicContact CG1-CG1 3.23Å; S21-V24 PolarHBondContact O-N 3.4Å; S21-V24 WeakPolarHBondContact OG-CG2 3.34Å; S21-V24 PolarHBondContact OG-N 3.2Å; V24-V27 PolarHBondContact O-N 3.12Å; V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 PolarHBondContact O-N 3.12Å |
| 25 | R | 82.6 | Confident | 79.2 | Confident | 158 Ų | 158 | 114 Ų | 114 | 60% | 0.596 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.3 | -45.4 | 172.7 | -176.5 | 177.5 | 174.3 | 164.4 | 2.3 | 112 | V20 S21 A22 V27 L28 E29 | V20-R25 HydrophobicContact CG1-CB 4.47Å; S21-R25 PolarHBondContact O-N 3.02Å; A22-R25 PolarHBondContact O-N 3.27Å; R25-V27 VanDerWaalsContact C-N 3.33Å; R25-V27 PolarHBondContact O-N 2.99Å; R25-L28 PolarHBondContact O-N 3.4Å; R25-E29 HydrophobicContact CG-CG 4.47Å; R25-E29 WeakPolarHBondContact CG-OE1 3.37Å; R25-E29 IonicContact CZ-OE1 3.79Å; R25-E29 IonicContact NE-OE1 2.95Å; R25-E29 PolarHBondContact NE-OE1 3.24Å; R25-E29 IonicContact NH2-OE1 3.74Å; R25-E29 WeakPolarHBondContact O-CG 3.37Å; R25-E29 PolarHBondContact O-N 2.99Å |
| 26 | T | 85.2 | Confident | 79.6 | Confident | 75 Ų | 75 | 114.4 Ų | 114.4 | 46% | 0.46 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 178.2 | 55.1 | 0 | 0 | 0 | 0 | 112 | A22 N23 L28 E29 D30 | A22-T26 WeakPolarHBondContact O-CG2 3.42Å; A22-T26 PolarHBondContact O-N 3.38Å; A22-T26 PolarHBondContact O-OG1 2.91Å; N23-T26 PolarHBondContact O-OG1 3.36Å; T26-L28 VanDerWaalsContact C-N 3.34Å; T26-L28 PolarHBondContact O-N 3.01Å; T26-E29 PolarHBondContact O-N 3.19Å; T26-D30 WeakPolarHBondContact O-CB 3.49Å; T26-D30 PolarHBondContact O-N 3.39Å |
| 27 | V | 87.8 | Confident | 80.5 | Confident | 99 Ų | 99 | 114 Ų | 114 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | N23 V24 R25 A31 | N23-V27 VanDerWaalsContact O-CG2 3.27Å; N23-V27 WeakPolarHBondContact O-CG2 3.35Å; N23-V27 PolarHBondContact O-N 2.97Å; V24-V27 PolarHBondContact O-N 3.12Å; R25-V27 VanDerWaalsContact C-N 3.33Å; R25-V27 PolarHBondContact O-N 2.99Å; V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 2.93Å |
| 28 | L | 87.5 | Confident | 81.2 | Confident | 103 Ų | 103 | 106.7 Ų | 106.7 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -45.2 | 176.1 | -179.3 | 63.2 | 0 | 0 | 0 | 111.7 | V24 R25 T26 D30 A31 L32 | V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 PolarHBondContact O-N 3.12Å; R25-L28 PolarHBondContact O-N 3.4Å; T26-L28 VanDerWaalsContact C-N 3.34Å; T26-L28 PolarHBondContact O-N 3.01Å; L28-D30 VanDerWaalsContact C-N 3.35Å; L28-D30 PolarHBondContact O-N 3.16Å; L28-A31 PolarHBondContact O-N 3.36Å; L28-L32 HydrophobicContact CG-CD1 4.24Å; L28-L32 WeakPolarHBondContact O-CB 3.47Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.46Å |
| 29 | E | 87.2 | Confident | 82 | Confident | 87 Ų | 87 | 104.6 Ų | 104.6 | 41% | 0.407 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -41.3 | 177.4 | -73 | 175.6 | -175.6 | 0 | 0 | 111.7 | R25 T26 L32 R33 | R25-E29 HydrophobicContact CG-CG 4.47Å; R25-E29 WeakPolarHBondContact CG-OE1 3.37Å; R25-E29 IonicContact CZ-OE1 3.79Å; R25-E29 IonicContact NE-OE1 2.95Å; R25-E29 PolarHBondContact NE-OE1 3.24Å; R25-E29 IonicContact NH2-OE1 3.74Å; R25-E29 WeakPolarHBondContact O-CG 3.37Å; R25-E29 PolarHBondContact O-N 2.99Å; T26-E29 PolarHBondContact O-N 3.19Å; E29-L32 PolarHBondContact O-N 3.47Å; E29-R33 WeakPolarHBondContact O-CB 3.33Å; E29-R33 PolarHBondContact O-N 3.04Å |
| 30 | D | 90.6 | Very high | 82.5 | Confident | 88 Ų | 88 | 105 Ų | 105 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.2 | -40.7 | 174.9 | -95.5 | 7.7 | 0 | 0 | 0 | 112.7 | T26 L28 L32 R33 K34 | T26-D30 WeakPolarHBondContact O-CB 3.49Å; T26-D30 PolarHBondContact O-N 3.39Å; L28-D30 VanDerWaalsContact C-N 3.35Å; L28-D30 PolarHBondContact O-N 3.16Å; D30-L32 VanDerWaalsContact C-N 3.33Å; D30-R33 PolarHBondContact O-N 3.09Å; D30-K34 WeakPolarHBondContact O-CB 3.33Å; D30-K34 WeakPolarHBondContact O-CG 3.31Å; D30-K34 PolarHBondContact O-N 2.87Å |
| 31 | A | 86.9 | Confident | 82.8 | Confident | 47 Ų | 47 | 106 Ų | 106 | 39% | 0.388 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V27 L28 K34 R35 | V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 2.93Å; L28-A31 PolarHBondContact O-N 3.36Å; A31-K34 PolarHBondContact O-N 3.5Å; A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.87Å |
| 32 | L | 84.6 | Confident | 82.8 | Confident | 93 Ų | 93 | 109.3 Ų | 109.3 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.4 | -45.9 | 174.4 | -74.2 | 169.9 | 0 | 0 | 0 | 111.4 | L28 E29 D30 K34 R35 M36 | L28-L32 HydrophobicContact CG-CD1 4.24Å; L28-L32 WeakPolarHBondContact O-CB 3.47Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.46Å; E29-L32 PolarHBondContact O-N 3.47Å; D30-L32 VanDerWaalsContact C-N 3.33Å; L32-K34 PolarHBondContact O-N 3.21Å; L32-R35 WeakPolarHBondContact O-CB 3.39Å; L32-R35 PolarHBondContact O-N 2.93Å; L32-R35 VanDerWaalsContact O-N 3.15Å; L32-M36 WeakPolarHBondContact O-CG 3.5Å; L32-M36 PolarHBondContact O-N 3.15Å |
| 33 | R | 86.5 | Confident | 83 | Confident | 176 Ų | 176 | 110.5 Ų | 110.5 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59 | -45.2 | 177.3 | -169.7 | -175.1 | -61.1 | -104.4 | -0.6 | 111.9 | E29 D30 R35 M36 Q37 | E29-R33 WeakPolarHBondContact O-CB 3.33Å; E29-R33 PolarHBondContact O-N 3.04Å; D30-R33 PolarHBondContact O-N 3.09Å; R33-R35 VanDerWaalsContact C-N 3.34Å; R33-R35 PolarHBondContact O-N 3.4Å; R33-M36 PolarHBondContact O-N 3.42Å; R33-Q37 PolarHBondContact O-N 3.03Å |
| 34 | K | 88.1 | Confident | 83.2 | Confident | 147 Ų | 147 | 107.1 Ų | 107.1 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -40.3 | 175.5 | -75.4 | 174 | -178.1 | 174 | 0 | 112.2 | D30 A31 L32 Q37 | D30-K34 WeakPolarHBondContact O-CB 3.33Å; D30-K34 WeakPolarHBondContact O-CG 3.31Å; D30-K34 PolarHBondContact O-N 2.87Å; A31-K34 PolarHBondContact O-N 3.5Å; L32-K34 PolarHBondContact O-N 3.21Å; K34-Q37 WeakPolarHBondContact O-CB 3.42Å; K34-Q37 PolarHBondContact O-N 3.36Å |
| 35 | R | 83.4 | Confident | 83.5 | Confident | 203 Ų | 203 | 110 Ų | 110 | 77% | 0.766 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -40.3 | 174.6 | -75.7 | -169.2 | -174.8 | -91.5 | 3.2 | 112.3 | A31 L32 R33 Q37 | A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.87Å; L32-R35 WeakPolarHBondContact O-CB 3.39Å; L32-R35 PolarHBondContact O-N 2.93Å; L32-R35 VanDerWaalsContact O-N 3.15Å; R33-R35 VanDerWaalsContact C-N 3.34Å; R33-R35 PolarHBondContact O-N 3.4Å; R35-Q37 VanDerWaalsContact C-N 3.3Å; R35-Q37 PolarHBondContact O-N 2.96Å |
| 36 | M | 80.9 | Confident | 83.9 | Confident | 91 Ų | 91 | 104.4 Ų | 104.4 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -75.2 | -17.8 | 179.9 | -66.5 | 176 | 70 | 0 | 0 | 113.4 | L32 R33 G38 S39 P40 P41 | L32-M36 WeakPolarHBondContact O-CG 3.5Å; L32-M36 PolarHBondContact O-N 3.15Å; R33-M36 PolarHBondContact O-N 3.42Å; M36-G38 VanDerWaalsContact C-N 3.3Å; M36-G38 PolarHBondContact O-N 3.13Å; M36-S39 CarbonylContact O-C 3.07Å; M36-S39 PolarHBondContact O-N 2.92Å; M36-S39 VanDerWaalsContact O-O 3.09Å; M36-P40 WeakPolarHBondContact O-CA 3.5Å; M36-P41 HydrophobicContact CE-CB 4.19Å; M36-P41 HydrophobicContact CE-CG 3.54Å |
| 37 | Q | 82.4 | Confident | 84.3 | Confident | 165 Ų | 165 | 103.5 Ų | 103.5 | 77% | 0.771 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.6 | -32.7 | 178.9 | -166.8 | 168.7 | 20.6 | 0 | 0 | 113 | R33 K34 R35 | R33-Q37 PolarHBondContact O-N 3.03Å; K34-Q37 WeakPolarHBondContact O-CB 3.42Å; K34-Q37 PolarHBondContact O-N 3.36Å; R35-Q37 VanDerWaalsContact C-N 3.3Å; R35-Q37 PolarHBondContact O-N 2.96Å |
| 38 | G | 80.4 | Confident | 84.6 | Confident | 75 Ų | 75 | 105.2 Ų | 105.2 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -80.8 | -18 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M36 | M36-G38 VanDerWaalsContact C-N 3.3Å; M36-G38 PolarHBondContact O-N 3.13Å |
| 39 | S | 75.6 | Confident | 84.9 | Confident | 82 Ų | 82 | 104.3 Ų | 104.3 | 57% | 0.573 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -147.3 | 84.9 | 179.1 | 61.1 | 0 | 0 | 0 | 0 | 109.2 | M36 | M36-S39 CarbonylContact O-C 3.07Å; M36-S39 PolarHBondContact O-N 2.92Å; M36-S39 VanDerWaalsContact O-O 3.09Å |
| 40 | P | 75 | Confident | 85 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.7 | -179.3 | 25 | -33.1 | 0 | 0 | 0 | 109.8 | M36 T42 | M36-P40 WeakPolarHBondContact O-CA 3.5Å; P40-T42 PolarHBondContact O-N 3.49Å |
| 41 | P | 76.4 | Confident | 85.1 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 60% | 0.597 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.2 | 177.4 | 28 | -34.7 | 0 | 0 | 0 | 109.6 | M36 C43 | M36-P41 HydrophobicContact CE-CB 4.19Å; M36-P41 HydrophobicContact CE-CG 3.54Å; P41-C43 PolarHBondContact O-N 3.47Å |
| 42 | T | 77.8 | Confident | 85.2 | Confident | 135 Ų | 135 | 104.5 Ų | 104.5 | 83% | 0.828 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 117.4 | 176 | -47.8 | 0 | 0 | 0 | 0 | 109.2 | P40 | P40-T42 PolarHBondContact O-N 3.49Š|
| 43 | C | 81.7 | Confident | 85.4 | Confident | 97 Ų | 97 | 105 Ų | 105 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 129.5 | 172 | -174 | 0 | 0 | 0 | 0 | 109.7 | P41 | P41-C43 PolarHBondContact O-N 3.47Š|
| 44 | I | 85.1 | Confident | 85.3 | Confident | 52 Ų | 52 | 103.1 Ų | 103.1 | 27% | 0.267 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -102.7 | 116.8 | 173.9 | -58.5 | 171.3 | 0 | 0 | 0 | 107.9 | V51 R54 I55 | I44-V51 HydrophobicContact CG2-CB 4.33Å; I44-V51 HydrophobicContact CG2-CG1 4.33Å; I44-V51 HydrophobicContact CG2-CG2 4.07Å; I44-R54 HydrophobicContact CD1-CB 4Å; I44-R54 HydrophobicContact CG2-CB 3.97Å; I44-R54 HydrophobicContact CG2-CG 4.37Å; I44-I55 HydrophobicContact CD1-CG1 4.05Å |
| 45 | I | 88.8 | Confident | 85.2 | Confident | 144 Ų | 144 | 99.6 Ų | 99.6 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | trans | -117.1 | 131 | -179.4 | -54.5 | 175.5 | 0 | 0 | 0 | 108.3 | ||||
| 46 | G | 90.2 | Very high | 85.2 | Confident | 41 Ų | 41 | 94.9 Ų | 94.9 | 42% | 0.423 | 54% | 0.543 | S | S | . | . | S | Bend | trans | 164.7 | -173.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 47 | S | 93.9 | Very high | 85.1 | Confident | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | trans | -63.7 | 160.6 | 168.5 | 70 | 0 | 0 | 0 | 0 | 110.8 | S49 Q50 V51 | S47-S49 PolarHBondContact O-N 3.19Å; S47-S49 VanDerWaalsContact O-N 3.17Å; S47-S49 PolarHBondContact OG-OG 3.35Å; S47-Q50 WeakPolarHBondContact O-CB 3.24Å; S47-Q50 PolarHBondContact O-N 2.98Å; S47-Q50 WeakPolarHBondContact OG-CG 3.36Å; S47-Q50 PolarHBondContact OG-N 3.37Å; S47-Q50 PolarHBondContact OG-OE1 3.13Å; S47-V51 WeakPolarHBondContact O-CG2 3.44Å; S47-V51 PolarHBondContact O-N 3.4Å | ||
| 48 | M | 92.7 | Very high | 84.9 | Confident | 134 Ų | 134 | 92 Ų | 92 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -54.5 | -37.8 | 177.6 | -75.7 | -56 | -57.4 | 0 | 0 | 113.1 | V51 N52 | M48-V51 PolarHBondContact O-N 3.41Å; M48-N52 WeakPolarHBondContact O-CB 3.38Å; M48-N52 PolarHBondContact O-N 2.88Å; M48-N52 PolarHBondContact O-ND2 3.47Å; M48-N52 PolarHBondContact O-OD1 2.95Å |
| 49 | S | 93.8 | Very high | 84.3 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.5 | -42.4 | 176.5 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | S47 N52 Q53 | S47-S49 PolarHBondContact O-N 3.19Å; S47-S49 VanDerWaalsContact O-N 3.17Å; S47-S49 PolarHBondContact OG-OG 3.35Å; S49-N52 PolarHBondContact O-N 3.32Å; S49-Q53 WeakPolarHBondContact O-CB 3.36Å; S49-Q53 PolarHBondContact O-N 2.88Å |
| 50 | Q | 90.3 | Very high | 83.7 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 50% | 0.495 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 177.5 | -69.5 | 170.8 | -27.8 | 0 | 0 | 111.9 | S47 Q53 R54 | S47-Q50 WeakPolarHBondContact O-CB 3.24Å; S47-Q50 PolarHBondContact O-N 2.98Å; S47-Q50 WeakPolarHBondContact OG-CG 3.36Å; S47-Q50 PolarHBondContact OG-N 3.37Å; S47-Q50 PolarHBondContact OG-OE1 3.13Å; Q50-Q53 PolarHBondContact O-N 3.37Å; Q50-R54 WeakPolarHBondContact O-CG 3.46Å; Q50-R54 PolarHBondContact O-N 2.85Å |
| 51 | V | 91.6 | Very high | 83.1 | Confident | 28 Ų | 28 | 92.5 Ų | 92.5 | 17% | 0.17 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -61.9 | -49.9 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | I44 S47 M48 Q53 R54 I55 | I44-V51 HydrophobicContact CG2-CB 4.33Å; I44-V51 HydrophobicContact CG2-CG1 4.33Å; I44-V51 HydrophobicContact CG2-CG2 4.07Å; S47-V51 WeakPolarHBondContact O-CG2 3.44Å; S47-V51 PolarHBondContact O-N 3.4Å; M48-V51 PolarHBondContact O-N 3.41Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.23Å; V51-R54 PolarHBondContact O-N 3.22Å; V51-I55 HydrophobicContact CG1-CD1 3.75Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 WeakPolarHBondContact O-CG1 3.33Å; V51-I55 PolarHBondContact O-N 2.91Å |
| 52 | N | 89.8 | Confident | 82.4 | Confident | 91 Ų | 91 | 91.3 Ų | 91.3 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 179.5 | -69.8 | -10.8 | 0 | 0 | 0 | 112.2 | M48 S49 I55 M56 | M48-N52 WeakPolarHBondContact O-CB 3.38Å; M48-N52 PolarHBondContact O-N 2.88Å; M48-N52 PolarHBondContact O-ND2 3.47Å; M48-N52 PolarHBondContact O-OD1 2.95Å; S49-N52 PolarHBondContact O-N 3.32Å; N52-I55 PolarHBondContact O-N 2.92Å; N52-M56 PolarHBondContact O-N 2.9Å; N52-M56 VanDerWaalsContact O-N 3.13Å |
| 53 | Q | 88.1 | Confident | 81.5 | Confident | 104 Ų | 104 | 88.4 Ų | 88.4 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.8 | -178.2 | -177.9 | -11.2 | 0 | 0 | 111.6 | S49 Q50 V51 I55 M56 E57 | S49-Q53 WeakPolarHBondContact O-CB 3.36Å; S49-Q53 PolarHBondContact O-N 2.88Å; Q50-Q53 PolarHBondContact O-N 3.37Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.23Å; Q53-I55 VanDerWaalsContact C-N 3.35Å; Q53-I55 PolarHBondContact O-N 3.41Å; Q53-M56 WeakPolarHBondContact O-CB 3.27Å; Q53-M56 PolarHBondContact O-N 2.96Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.42Å; Q53-E57 PolarHBondContact NE2-OE1 3.04Å; Q53-E57 WeakPolarHBondContact O-CG 3.48Å; Q53-E57 PolarHBondContact O-N 3.29Å |
| 54 | R | 84.9 | Confident | 80.4 | Confident | 137 Ų | 137 | 89.3 Ų | 89.3 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | -179.4 | -72.7 | -154.8 | -168.4 | -177 | 0.6 | 113.2 | I44 Q50 V51 E57 V58 | I44-R54 HydrophobicContact CD1-CB 4Å; I44-R54 HydrophobicContact CG2-CB 3.97Å; I44-R54 HydrophobicContact CG2-CG 4.37Å; Q50-R54 WeakPolarHBondContact O-CG 3.46Å; Q50-R54 PolarHBondContact O-N 2.85Å; V51-R54 PolarHBondContact O-N 3.22Å; R54-E57 PolarHBondContact O-N 3.03Å; R54-V58 WeakPolarHBondContact O-CG2 3.34Å; R54-V58 PolarHBondContact O-N 3.34Å; R54-V58 VanDerWaalsContact O-N 3.09Å |
| 55 | I | 86.5 | Confident | 78.9 | Confident | 72 Ų | 72 | 93.4 Ų | 93.4 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 173.9 | -69.5 | 166.4 | 0 | 0 | 0 | 109.9 | I44 V51 N52 Q53 E57 V58 E59 | I44-I55 HydrophobicContact CD1-CG1 4.05Å; V51-I55 HydrophobicContact CG1-CD1 3.75Å; V51-I55 HydrophobicContact CG1-CG1 4.44Å; V51-I55 WeakPolarHBondContact O-CG1 3.33Å; V51-I55 PolarHBondContact O-N 2.91Å; N52-I55 PolarHBondContact O-N 2.92Å; Q53-I55 VanDerWaalsContact C-N 3.35Å; Q53-I55 PolarHBondContact O-N 3.41Å; I55-E57 VanDerWaalsContact C-N 3.31Å; I55-E57 PolarHBondContact O-N 3.44Å; I55-V58 PolarHBondContact O-N 3.01Å; I55-V58 VanDerWaalsContact O-N 3.16Å; I55-E59 PolarHBondContact O-N 3.07Å |
| 56 | M | 83.4 | Confident | 77.3 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 51% | 0.512 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 178.1 | -177.5 | 176.6 | 60.6 | 0 | 0 | 112 | N52 Q53 E59 L60 | N52-M56 PolarHBondContact O-N 2.9Å; N52-M56 VanDerWaalsContact O-N 3.13Å; Q53-M56 WeakPolarHBondContact O-CB 3.27Å; Q53-M56 PolarHBondContact O-N 2.96Å; M56-E59 PolarHBondContact O-N 3.13Å; M56-L60 HydrophobicContact CG-CD1 3.66Å; M56-L60 WeakPolarHBondContact O-CB 3.42Å; M56-L60 VanDerWaalsContact O-CD1 3.31Å; M56-L60 WeakPolarHBondContact O-CD1 3.48Å; M56-L60 WeakPolarHBondContact O-CG 3.49Å; M56-L60 PolarHBondContact O-N 3.25Å |
| 57 | E | 77.8 | Confident | 75.7 | Confident | 101 Ų | 101 | 93.1 Ų | 93.1 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 175.8 | -72.4 | 170.1 | -170.6 | 0 | 0 | 112.9 | Q53 R54 I55 G61 | Q53-E57 WeakPolarHBondContact CG-OE1 3.42Å; Q53-E57 PolarHBondContact NE2-OE1 3.04Å; Q53-E57 WeakPolarHBondContact O-CG 3.48Å; Q53-E57 PolarHBondContact O-N 3.29Å; R54-E57 PolarHBondContact O-N 3.03Å; I55-E57 VanDerWaalsContact C-N 3.31Å; I55-E57 PolarHBondContact O-N 3.44Å; E57-G61 PolarHBondContact O-N 3.49Å |
| 58 | V | 78.6 | Confident | 73.8 | Confident | 94 Ų | 94 | 92.4 Ų | 92.4 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | R54 I55 S62 | R54-V58 WeakPolarHBondContact O-CG2 3.34Å; R54-V58 PolarHBondContact O-N 3.34Å; R54-V58 VanDerWaalsContact O-N 3.09Å; I55-V58 PolarHBondContact O-N 3.01Å; I55-V58 VanDerWaalsContact O-N 3.16Å; V58-S62 PolarHBondContact O-N 3.49Å; V58-S62 VanDerWaalsContact O-N 3.13Å; V58-S62 PolarHBondContact O-OG 3.37Å |
| 59 | E | 68.9 | Low | 72 | Confident | 132 Ų | 132 | 92.6 Ų | 92.6 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 176.2 | -71.2 | -178.9 | 170.7 | 0 | 0 | 111.8 | I55 M56 S62 S63 | I55-E59 PolarHBondContact O-N 3.07Å; M56-E59 PolarHBondContact O-N 3.13Å; E59-S62 PolarHBondContact O-N 2.94Å; E59-S63 PolarHBondContact O-N 3Å; E59-S63 VanDerWaalsContact O-N 3.14Å |
| 60 | L | 62.7 | Low | 70.1 | Confident | 105 Ų | 105 | 91 Ų | 91 | 55% | 0.55 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 177.1 | -77.6 | 157.5 | 0 | 0 | 0 | 112.3 | M56 S62 S63 L64 | M56-L60 HydrophobicContact CG-CD1 3.66Å; M56-L60 WeakPolarHBondContact O-CB 3.42Å; M56-L60 VanDerWaalsContact O-CD1 3.31Å; M56-L60 WeakPolarHBondContact O-CD1 3.48Å; M56-L60 WeakPolarHBondContact O-CG 3.49Å; M56-L60 PolarHBondContact O-N 3.25Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 2.87Å; L60-S63 PolarHBondContact O-N 3.03Å; L60-L64 WeakPolarHBondContact O-CB 3.49Å; L60-L64 PolarHBondContact O-N 3.03Å |
| 61 | G | 61.2 | Low | 68.1 | Low | 33 Ų | 33 | 93.2 Ų | 93.2 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E57 L64 M65 | E57-G61 PolarHBondContact O-N 3.49Å; G61-L64 PolarHBondContact O-N 3.11Å; G61-M65 VanDerWaalsContact O-CG 3.24Å; G61-M65 WeakPolarHBondContact O-CG 3.39Å; G61-M65 PolarHBondContact O-N 3.31Å |
| 62 | S | 61.7 | Low | 66 | Low | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.5 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | V58 E59 L60 M65 I66 | V58-S62 PolarHBondContact O-N 3.49Å; V58-S62 VanDerWaalsContact O-N 3.13Å; V58-S62 PolarHBondContact O-OG 3.37Å; E59-S62 PolarHBondContact O-N 2.94Å; L60-S62 VanDerWaalsContact C-N 3.29Å; L60-S62 PolarHBondContact O-N 2.87Å; S62-M65 PolarHBondContact O-N 3.49Å; S62-I66 WeakPolarHBondContact O-CG1 3.39Å; S62-I66 PolarHBondContact O-N 2.79Å; S62-I66 VanDerWaalsContact O-N 3.11Å |
| 63 | S | 59.1 | Low | 64 | Low | 74 Ų | 74 | 102.7 Ų | 102.7 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | E59 L60 M65 I66 S67 | E59-S63 PolarHBondContact O-N 3Å; E59-S63 VanDerWaalsContact O-N 3.14Å; L60-S63 PolarHBondContact O-N 3.03Å; S63-M65 PolarHBondContact O-N 3.34Å; S63-I66 PolarHBondContact O-N 3.29Å; S63-S67 PolarHBondContact O-N 3.32Å |
| 64 | L | 58.3 | Low | 62 | Low | 115 Ų | 115 | 106.4 Ų | 106.4 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -37 | 176.9 | -167.2 | 69.7 | 0 | 0 | 0 | 111.9 | L60 G61 S67 T68 | L60-L64 WeakPolarHBondContact O-CB 3.49Å; L60-L64 PolarHBondContact O-N 3.03Å; G61-L64 PolarHBondContact O-N 3.11Å; L64-S67 WeakPolarHBondContact CA-OG 3.45Å; L64-S67 PolarHBondContact O-N 2.86Å; L64-S67 PolarHBondContact O-OG 3.44Å; L64-T68 WeakPolarHBondContact O-CG2 3.47Å; L64-T68 PolarHBondContact O-N 3.22Å; L64-T68 PolarHBondContact O-OG1 3.13Å |
| 65 | M | 54.8 | Low | 60.1 | Low | 138 Ų | 138 | 105.7 Ų | 105.7 | 68% | 0.68 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 174.5 | -69.5 | -68.2 | -95.9 | 0 | 0 | 112.1 | G61 S62 S63 T68 L69 | G61-M65 VanDerWaalsContact O-CG 3.24Å; G61-M65 WeakPolarHBondContact O-CG 3.39Å; G61-M65 PolarHBondContact O-N 3.31Å; S62-M65 PolarHBondContact O-N 3.49Å; S63-M65 PolarHBondContact O-N 3.34Å; M65-T68 WeakPolarHBondContact CA-OG1 3.47Å; M65-T68 PolarHBondContact O-N 3.14Å; M65-T68 PolarHBondContact O-OG1 3.18Å; M65-L69 WeakPolarHBondContact O-CB 3.34Å; M65-L69 PolarHBondContact O-N 3.37Å |
| 66 | I | 55.3 | Low | 58.1 | Low | 124 Ų | 124 | 106.2 Ų | 106.2 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 174 | -65.7 | 165.3 | 0 | 0 | 0 | 110.8 | S62 S63 L69 S70 | S62-I66 WeakPolarHBondContact O-CG1 3.39Å; S62-I66 PolarHBondContact O-N 2.79Å; S62-I66 VanDerWaalsContact O-N 3.11Å; S63-I66 PolarHBondContact O-N 3.29Å; I66-L69 PolarHBondContact O-N 3.36Å; I66-S70 PolarHBondContact O-N 3Å; I66-S70 VanDerWaalsContact O-N 3.11Å |
| 67 | S | 55.3 | Low | 56.1 | Low | 56 Ų | 56 | 107.9 Ų | 107.9 | 39% | 0.392 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.4 | -38.8 | 179.7 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | S63 L64 S70 R71 | S63-S67 PolarHBondContact O-N 3.32Å; L64-S67 WeakPolarHBondContact CA-OG 3.45Å; L64-S67 PolarHBondContact O-N 2.86Å; L64-S67 PolarHBondContact O-OG 3.44Å; S67-S70 PolarHBondContact O-N 3.48Å; S67-S70 PolarHBondContact O-OG 3.03Å; S67-R71 WeakPolarHBondContact O-CB 3.28Å; S67-R71 PolarHBondContact O-N 2.76Å |
| 68 | T | 55.3 | Low | 54.5 | Low | 41 Ų | 41 | 112.7 Ų | 112.7 | 25% | 0.252 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.8 | -35.9 | 176.9 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | L64 M65 R71 N72 | L64-T68 WeakPolarHBondContact O-CG2 3.47Å; L64-T68 PolarHBondContact O-N 3.22Å; L64-T68 PolarHBondContact O-OG1 3.13Å; M65-T68 WeakPolarHBondContact CA-OG1 3.47Å; M65-T68 PolarHBondContact O-N 3.14Å; M65-T68 PolarHBondContact O-OG1 3.18Å; T68-R71 PolarHBondContact O-N 3.36Å; T68-N72 PolarHBondContact O-N 2.96Å |
| 69 | L | 55.1 | Low | 52.8 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 72% | 0.717 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -44.7 | 171.4 | -164.9 | 83.4 | 0 | 0 | 0 | 111.2 | M65 I66 R71 N72 R73 | M65-L69 WeakPolarHBondContact O-CB 3.34Å; M65-L69 PolarHBondContact O-N 3.37Å; I66-L69 PolarHBondContact O-N 3.36Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.97Å; L69-N72 PolarHBondContact O-N 3.3Å; L69-R73 PolarHBondContact O-N 3.21Å |
| 70 | S | 53.2 | Low | 51.7 | Low | 53 Ų | 53 | 117.4 Ų | 117.4 | 37% | 0.371 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -26.9 | 176.4 | 82.2 | 0 | 0 | 0 | 0 | 113.4 | I66 S67 | I66-S70 PolarHBondContact O-N 3Å; I66-S70 VanDerWaalsContact O-N 3.11Å; S67-S70 PolarHBondContact O-N 3.48Å; S67-S70 PolarHBondContact O-OG 3.03Å |
| 71 | R | 49.4 | Very low | 50.8 | Low | 152 Ų | 152 | 115.9 Ų | 115.9 | 57% | 0.574 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.6 | -39.1 | 176.1 | -171.9 | 171.3 | 70.1 | 167.9 | -0.9 | 112.2 | S67 T68 L69 R73 R74 | S67-R71 WeakPolarHBondContact O-CB 3.28Å; S67-R71 PolarHBondContact O-N 2.76Å; T68-R71 PolarHBondContact O-N 3.36Å; L69-R71 VanDerWaalsContact C-N 3.27Å; L69-R71 PolarHBondContact O-N 2.97Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R74 PolarHBondContact O-N 3.11Å |
| 72 | N | 46.1 | Very low | 50 | Low | 107 Ų | 107 | 122.8 Ų | 122.8 | 57% | 0.572 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.2 | -30.1 | 176.5 | -83.3 | -24.2 | 0 | 0 | 0 | 112.6 | T68 L69 R74 K75 | T68-N72 PolarHBondContact O-N 2.96Å; L69-N72 PolarHBondContact O-N 3.3Å; N72-R74 VanDerWaalsContact C-N 3.26Å; N72-R74 PolarHBondContact O-N 3.37Å; N72-K75 PolarHBondContact O-N 3.36Å |
| 73 | R | 47.3 | Very low | 48.9 | Very low | 210 Ų | 210 | 123.3 Ų | 123.3 | 79% | 0.792 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.8 | -27 | 173.3 | -153.6 | 172.2 | 176.2 | 166.6 | -1.4 | 113.3 | L69 R71 | L69-R73 PolarHBondContact O-N 3.21Å; R71-R73 VanDerWaalsContact C-N 3.33Å |
| 74 | R | 46.2 | Very low | 48 | Very low | 183 Ų | 183 | 128.5 Ų | 128.5 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.7 | -20.4 | 177 | -77.3 | -172.8 | -96.2 | -177.8 | -8.3 | 114.6 | R71 N72 | R71-R74 PolarHBondContact O-N 3.11Å; N72-R74 VanDerWaalsContact C-N 3.26Å; N72-R74 PolarHBondContact O-N 3.37Å |
| 75 | K | 45.8 | Very low | 47.3 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 53% | 0.53 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -79 | -24.2 | 176.3 | -71.1 | -172.5 | 177.6 | -175.8 | 0 | 112.9 | N72 H77 R78 Y79 | N72-K75 PolarHBondContact O-N 3.36Å; K75-H77 VanDerWaalsContact C-N 3.28Å; K75-H77 PolarHBondContact O-N 3.31Å; K75-R78 PolarHBondContact O-N 3.34Å; K75-Y79 WeakPolarHBondContact O-CD2 3.33Å |
| 76 | S | 45.1 | Very low | 46.6 | Very low | 82 Ų | 82 | 126.2 Ų | 126.2 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -13.2 | 178.6 | -139.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 77 | H | 40.5 | Very low | 45.4 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 64% | 0.644 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -15 | 173.3 | -74.9 | -1.9 | 0 | 0 | 0 | 114 | K75 A81 | K75-H77 VanDerWaalsContact C-N 3.28Å; K75-H77 PolarHBondContact O-N 3.31Å; H77-A81 PolarHBondContact O-N 3.28Å |
| 78 | R | 44.8 | Very low | 44.4 | Very low | 203 Ų | 203 | 129.4 Ų | 129.4 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.6 | -19 | 176.9 | -75.9 | -170 | -174 | -174.8 | 1.4 | 114 | K75 | K75-R78 PolarHBondContact O-N 3.34Å |
| 79 | Y | 42.5 | Very low | 43.5 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 78% | 0.784 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.2 | -18.6 | 172.1 | -66.9 | -77.7 | 0 | 0 | 0 | 113.2 | K75 | K75-Y79 WeakPolarHBondContact O-CD2 3.33Å |
| 80 | L | 45.1 | Very low | 42.3 | Very low | 125 Ų | 125 | 134 Ų | 134 | 65% | 0.654 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -90.7 | -27.2 | 174.3 | -72.6 | 168.1 | 0 | 0 | 0 | 112.9 | ||
| 81 | A | 44.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -79.1 | -19.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | H77 | H77-A81 PolarHBondContact O-N 3.28Å |
| 82 | K | 43.5 | Very low | 40.6 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -2.7 | -179 | -132.5 | 174.8 | -176.5 | -175.4 | 0 | 114.1 | ||
| 83 | A | 38.8 | Very low | 40.1 | Very low | 79 Ų | 79 | 139 Ų | 139 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -0.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 84 | Q | 41.9 | Very low | 39.6 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -108.3 | 11.2 | -176.6 | -74.2 | -171.7 | 14.4 | 0 | 0 | 115 | ||
| 85 | S | 42.5 | Very low | 38.9 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -124.3 | 22.2 | -176.5 | 77.9 | 0 | 0 | 0 | 0 | 116 | ||
| 86 | S | 40.1 | Very low | 38.2 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -140.4 | 112.1 | 171.9 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 87 | G | 30.2 | Very low | 37.9 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | 23.3 | 123.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 88 | M | 33.5 | Very low | 38.2 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 86% | 0.862 | 76% | 0.76 | S | S | * | * | trans | -52.3 | 138.3 | 149.4 | -83.5 | -90.4 | 82 | 0 | 0 | 109.4 | ||||
| 89 | P | 37.3 | Very low | 37.8 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | -140.4 | 157.2 | 92.1 | 29.1 | -9.7 | 0 | 0 | 0 | 115.4 | |||||
| 90 | E | 29.6 | Very low | 37.7 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 80.7 | 111 | 149.3 | -73.6 | -179.5 | 170.9 | 0 | 0 | 121.3 | ||||
| 91 | C | 34.3 | Very low | 37.4 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -51.6 | 128.1 | 162.1 | -64.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 92 | F | 32.3 | Very low | 37 | Very low | 191 Ų | 191 | 146.4 Ų | 146.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -136.4 | 136.5 | 140.4 | -84.4 | -81 | 0 | 0 | 0 | 110.3 | ||||
| 93 | P | 37 | Very low | 36.5 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -99.1 | 171.1 | -166.9 | 39.9 | -35.7 | 0 | 0 | 0 | 113.6 | ||||
| 94 | Q | 34.9 | Very low | 36.6 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 82.4 | 138 | 162.3 | -60.8 | -170.5 | 23.1 | 0 | 0 | 115.7 | ||||
| 95 | K | 33.3 | Very low | 36.5 | Very low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | cis | -166.2 | 140.2 | 20.9 | -123.9 | 156.8 | -179.3 | 158.4 | 0 | 109.3 | ||||
| 96 | G | 30.5 | Very low | 36.3 | Very low | 70 Ų | 70 | 143.2 Ų | 143.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 103.5 | 92.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 97 | K | 38.9 | Very low | 36.1 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | 159.1 | 110.7 | 108.1 | -81.6 | 173.8 | -173.3 | -177.5 | 0 | 110.6 | |||||
| 98 | Q | 46.6 | Very low | 36.5 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | 38 | 93.4 | 154.7 | -75.2 | 171.2 | 10.2 | 0 | 0 | 120 | ||||
| 99 | Q | 36.6 | Very low | 36.8 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | 21.7 | 100.3 | 129.3 | -160.5 | 162.9 | 68 | 0 | 0 | 118.9 | R101 | Q99-R101 HydrophobicContact CG-CG 4.28Š| |||
| 100 | I | 39.8 | Very low | 37 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -92.2 | 114 | 150.2 | -63.5 | 170.4 | 0 | 0 | 0 | 107 | ||||
| 101 | R | 39.9 | Very low | 37.5 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -116.2 | 96.2 | 160.8 | -90 | -168.3 | -177.7 | -176 | 2.9 | 108.1 | Q99 | Q99-R101 HydrophobicContact CG-CG 4.28Š| ||
| 102 | I | 36.1 | Very low | 37.7 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 77% | 0.774 | 79% | 0.786 | S | S | * | * | trans | -123.4 | 96.8 | 155.4 | -58 | 178.7 | 0 | 0 | 0 | 105.4 | ||||
| 103 | C | 32.8 | Very low | 38 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | -90.5 | 101.4 | 170.2 | -167.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 104 | S | 41.2 | Very low | 38 | Very low | 102 Ų | 102 | 152.2 Ų | 152.2 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -107.1 | 81.4 | 165.9 | 52.9 | 0 | 0 | 0 | 0 | 108 | S106 | S104-S106 PolarHBondContact O-N 3.23Å; S104-S106 VanDerWaalsContact O-N 3.13Å | ||
| 105 | Q | 39.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 158.1 Ų | 158.1 | 74% | 0.738 | 82% | 0.819 | S | S | * | * | trans | -66.1 | 101.8 | 161.9 | -78.2 | 173.3 | 9.1 | 0 | 0 | 107.7 | C107 | Q105-C107 PolarHBondContact O-N 3.13Š| ||
| 106 | S | 38.3 | Very low | 38.5 | Very low | 107 Ų | 107 | 156.7 Ų | 156.7 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -84.8 | 91 | 162 | 53.1 | 0 | 0 | 0 | 0 | 108 | S104 T108 | S104-S106 PolarHBondContact O-N 3.23Å; S104-S106 VanDerWaalsContact O-N 3.13Å; S106-T108 PolarHBondContact O-N 3.35Å | ||
| 107 | C | 36.3 | Very low | 39 | Very low | 117 Ų | 117 | 161.2 Ų | 161.2 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | trans | -71 | 104.8 | 167.2 | -68 | 0 | 0 | 0 | 0 | 108.6 | Q105 | Q105-C107 PolarHBondContact O-N 3.13Š| ||
| 108 | T | 39.1 | Very low | 39 | Very low | 119 Ų | 119 | 158.7 Ų | 158.7 | 73% | 0.73 | 82% | 0.82 | S | S | * | * | trans | -104.6 | 110.7 | 163 | 52.4 | 0 | 0 | 0 | 0 | 108.2 | S106 | S106-T108 PolarHBondContact O-N 3.35Š| ||
| 109 | N | 38.3 | Very low | 38.5 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -140.1 | 129.7 | 153.8 | -96.1 | -51.8 | 0 | 0 | 0 | 110 | ||||
| 110 | T | 41 | Very low | 38.6 | Very low | 122 Ų | 122 | 156.4 Ų | 156.4 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -69.4 | 159.9 | -172.5 | 36.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 111 | P | 41.2 | Very low | 38.6 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | trans | -75.7 | 128.1 | -179.6 | 31.2 | -32.9 | 0 | 0 | 0 | 110.9 | ||||
| 112 | R | 38.8 | Very low | 38.5 | Very low | 244 Ų | 244 | 152.1 Ų | 152.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -89.9 | 115.9 | 163.5 | -79.2 | -171.4 | -175.5 | -166.5 | 1.9 | 109.1 | ||||
| 113 | L | 39.3 | Very low | 38.6 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | trans | -52.2 | 138.4 | 151.3 | -100.1 | 87.8 | 0 | 0 | 0 | 108.9 | ||||
| 114 | M | 36 | Very low | 39.1 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | trans | -163.1 | 126.9 | 134.8 | -82.7 | -128.2 | 170.5 | 0 | 0 | 111.8 | ||||
| 115 | K | 41 | Very low | 38.9 | Very low | 275 Ų | 275 | 160.8 Ų | 160.8 | 100% | 1.196 | 84% | 0.843 | S | S | * | * | trans | 58.7 | 0 | 149.4 | -80.9 | 173.6 | 173.5 | 169 | 0 | 120.1 |
Retrieved 115 of 115 residues in 130.4 ms
(Link to these results)