| 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 | 63 | Low | 85.2 | Confident | 241 Ų | 241 | 177.8 Ų | 177.8 | 100% | 1.187 | 85% | 0.846 | S | S | * | * | 0 | 127.2 | 0 | -65.9 | -136.7 | -74.4 | 0 | 0 | 109.1 | Q3 | M1-Q3 PolarHBondContact O-N 3.21Š| |||
| 2 | R | 79.4 | Confident | 85.3 | Confident | 236 Ų | 236 | 169.9 Ų | 169.9 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | trans | -76.2 | 120.8 | 176.3 | -154 | 177.7 | -170.6 | -148.3 | 3.4 | 107.8 | L4 | R2-L4 PolarHBondContact O-N 2.89Š| ||
| 3 | Q | 80.5 | Confident | 85.6 | Confident | 175 Ų | 175 | 174.3 Ų | 174.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -67.6 | 100 | 177.2 | -71.7 | -177.6 | -2.1 | 0 | 0 | 109.1 | M1 R5 | M1-Q3 PolarHBondContact O-N 3.21Å; Q3-R5 PolarHBondContact O-N 3.37Å | ||
| 4 | L | 86.9 | Confident | 85.6 | Confident | 155 Ų | 155 | 173.1 Ų | 173.1 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 123.4 | 169.9 | -64.1 | 177.2 | 0 | 0 | 0 | 108.2 | R2 | R2-L4 PolarHBondContact O-N 2.89Š|
| 5 | R | 88.1 | Confident | 85.6 | Confident | 215 Ų | 215 | 169.2 Ų | 169.2 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 130 | 170.4 | -65 | -176.5 | -179.4 | -175.7 | -0.1 | 108.2 | Q3 T7 | Q3-R5 PolarHBondContact O-N 3.37Å; R5-T7 PolarHBondContact O-N 3.21Å |
| 6 | P | 91 | Very high | 85.7 | Confident | 126 Ų | 126 | 166.6 Ų | 166.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 131.1 | 175.1 | 25 | -30.9 | 0 | 0 | 0 | 110.2 | ||
| 7 | T | 90.6 | Very high | 85.9 | Confident | 128 Ų | 128 | 167.5 Ų | 167.5 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 129 | 169.9 | -54.7 | 0 | 0 | 0 | 0 | 108.5 | R5 | R5-T7 PolarHBondContact O-N 3.21Š|
| 8 | P | 90.5 | Very high | 86.1 | Confident | 106 Ų | 106 | 162.5 Ų | 162.5 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62 | 143.8 | 177.9 | 26.2 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 9 | P | 90.2 | Very high | 86.4 | Confident | 121 Ų | 121 | 155.8 Ų | 155.8 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 149.6 | 176.2 | 27.3 | -34 | 0 | 0 | 0 | 110.4 | R11 | P9-R11 PolarHBondContact O-N 3.31Š|
| 10 | R | 90.3 | Very high | 86.7 | Confident | 236 Ų | 236 | 155.7 Ų | 155.7 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 124.9 | 172.5 | 178.2 | -179.1 | -76.5 | -137.7 | -0.5 | 108.8 | S12 | R10-S12 PolarHBondContact O-N 2.91Š|
| 11 | R | 86.2 | Confident | 86.9 | Confident | 217 Ų | 217 | 149.7 Ų | 149.7 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 128.1 | 174.3 | -162.2 | 179.7 | 84.8 | -165.6 | 6.4 | 109.7 | P9 R13 | P9-R11 PolarHBondContact O-N 3.31Å; R11-R13 PolarHBondContact O-N 2.9Å |
| 12 | S | 87 | Confident | 88.4 | Confident | 83 Ų | 83 | 138.9 Ų | 138.9 | 58% | 0.58 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.3 | 167.5 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | R10 H14 | R10-S12 PolarHBondContact O-N 2.91Å; S12-H14 VanDerWaalsContact C-N 3.35Å; S12-H14 PolarHBondContact OG-N 2.83Å; S12-H14 PolarHBondContact OG-O 2.73Å |
| 13 | R | 88.6 | Confident | 88.9 | Confident | 227 Ų | 227 | 134.4 Ų | 134.4 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -85.5 | -13.4 | 172.5 | -65.9 | -175.5 | 178.4 | -174.9 | -1.3 | 112.3 | R11 | R11-R13 PolarHBondContact O-N 2.9Š|
| 14 | H | 86 | Confident | 89.4 | Confident | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -97 | 138.2 | -176.6 | -59.4 | -76.6 | 0 | 0 | 0 | 110.5 | S12 | S12-H14 VanDerWaalsContact C-N 3.35Å; S12-H14 PolarHBondContact OG-N 2.83Å; S12-H14 PolarHBondContact OG-O 2.73Å |
| 15 | S | 86.4 | Confident | 89.6 | Confident | 114 Ų | 114 | 126.2 Ų | 126.2 | 80% | 0.797 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.5 | 166 | 52.8 | 0 | 0 | 0 | 0 | 110.1 | F17 | S15-F17 PolarHBondContact O-N 3.15Š|
| 16 | V | 86.2 | Confident | 89.9 | Confident | 128 Ų | 128 | 117.8 Ų | 117.8 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.2 | 173.7 | -179 | 0 | 0 | 0 | 0 | 108.2 | C18 | V16-C18 PolarHBondContact O-N 3.42Š|
| 17 | F | 88.8 | Confident | 90.1 | Very high | 182 Ų | 182 | 113.3 Ų | 113.3 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 126.5 | 173.3 | 174.6 | -100 | 0 | 0 | 0 | 109.5 | S15 | S15-F17 PolarHBondContact O-N 3.15Š|
| 18 | C | 90.6 | Very high | 90.4 | Very high | 77 Ų | 77 | 107.2 Ų | 107.2 | 52% | 0.52 | 54% | 0.544 | S | S | . | . | trans | -130.1 | 129.2 | 168.4 | -80.8 | 0 | 0 | 0 | 0 | 107.9 | V16 E20 | V16-C18 PolarHBondContact O-N 3.42Å; C18-E20 PolarHBondContact O-N 3.19Å | ||
| 19 | S | 91.4 | Very high | 90.6 | Very high | 35 Ų | 35 | 105.6 Ų | 105.6 | 25% | 0.245 | 53% | 0.526 | C | S | . | . | trans | -65.4 | 129.5 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | A21 L22 | S19-A21 PolarHBondContact O-N 3.44Å; S19-A21 PolarHBondContact OG-N 3.35Å; S19-L22 WeakPolarHBondContact O-CB 3.49Å; S19-L22 PolarHBondContact O-N 3.2Å; S19-L22 VanDerWaalsContact O-N 3.09Å | ||
| 20 | E | 92.4 | Very high | 90.9 | Very high | 153 Ų | 153 | 99.9 Ų | 99.9 | 72% | 0.715 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32 | 176.7 | -63.6 | -175 | 154.3 | 0 | 0 | 112 | C18 L22 K23 | C18-E20 PolarHBondContact O-N 3.19Å; E20-L22 PolarHBondContact O-N 2.68Å; E20-L22 VanDerWaalsContact O-N 3.12Å; E20-K23 VanDerWaalsContact O-CB 3.28Å; E20-K23 WeakPolarHBondContact O-CB 3.37Å; E20-K23 WeakPolarHBondContact O-CG 3.38Å; E20-K23 PolarHBondContact O-N 2.77Å |
| 21 | A | 91.5 | Very high | 91 | Very high | 30 Ų | 30 | 94.8 Ų | 94.8 | 25% | 0.248 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.9 | -22.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S19 K23 D24 C25 P75 F77 | S19-A21 PolarHBondContact O-N 3.44Å; S19-A21 PolarHBondContact OG-N 3.35Å; A21-K23 PolarHBondContact O-N 3.21Å; A21-D24 PolarHBondContact O-N 2.78Å; A21-C25 WeakPolarHBondContact O-CA 3.31Å; A21-C25 WeakPolarHBondContact O-CB 3.5Å; A21-C25 PolarHBondContact O-N 3.07Å; A21-P75 HydrophobicContact CB-CB 3.95Å; A21-P75 HydrophobicContact CB-CG 4.03Å; A21-F77 HydrophobicContact CB-CE1 3.79Å; A21-F77 HydrophobicContact CB-CZ 3.74Å |
| 22 | L | 92.9 | Very high | 91 | Very high | 15 Ų | 15 | 88.6 Ų | 88.6 | 8% | 0.079 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.8 | -19.4 | 176 | -72.1 | 171.3 | 0 | 0 | 0 | 113.2 | S19 E20 I28 F57 I70 P75 | S19-L22 WeakPolarHBondContact O-CB 3.49Å; S19-L22 PolarHBondContact O-N 3.2Å; S19-L22 VanDerWaalsContact O-N 3.09Å; E20-L22 PolarHBondContact O-N 2.68Å; E20-L22 VanDerWaalsContact O-N 3.12Å; L22-I28 HydrophobicContact CD2-CG2 4.06Å; L22-F57 HydrophobicContact CB-CE2 4.47Å; L22-F57 HydrophobicContact CB-CZ 4.1Å; L22-F57 HydrophobicContact CD2-CE2 4.16Å; L22-F57 HydrophobicContact CD2-CZ 4.38Å; L22-F57 WeakPolarHBondContact O-CZ 3.24Å; L22-I70 HydrophobicContact CD1-CG2 4.07Å; L22-P75 HydrophobicContact CD2-CB 4.05Å; L22-P75 HydrophobicContact CD2-CG 4.36Å; L22-P75 HydrophobicContact CG-CB 4.46Å; L22-P75 HydrophobicContact CG-CG 4.45Å |
| 23 | K | 91.7 | Very high | 90.7 | Very high | 142 Ų | 142 | 89.2 Ų | 89.2 | 62% | 0.617 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.4 | -44.2 | 177 | -63.2 | 177 | 179.3 | 176.5 | 0 | 110.9 | E20 A21 R52 | E20-K23 VanDerWaalsContact O-CB 3.28Å; E20-K23 WeakPolarHBondContact O-CB 3.37Å; E20-K23 WeakPolarHBondContact O-CG 3.38Å; E20-K23 PolarHBondContact O-N 2.77Å; A21-K23 PolarHBondContact O-N 3.21Å; K23-R52 WeakPolarHBondContact O-CD 3.39Å; K23-R52 PolarHBondContact O-NE 2.72Å |
| 24 | D | 90.6 | Very high | 90.3 | Very high | 143 Ų | 143 | 81.4 Ų | 81.4 | 77% | 0.765 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -114.2 | -3.2 | -169.8 | -54.3 | -47.4 | 0 | 0 | 0 | 114 | A21 S26 | A21-D24 PolarHBondContact O-N 2.78Å; D24-S26 PolarHBondContact O-N 3.48Å |
| 25 | C | 91.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 84.1 Ų | 84.1 | 10% | 0.095 | 45% | 0.452 | C | S | . | . | trans | -61.5 | 128.1 | -175.1 | 59.1 | 0 | 0 | 0 | 0 | 113 | A21 H27 I28 R52 P75 | A21-C25 WeakPolarHBondContact O-CA 3.31Å; A21-C25 WeakPolarHBondContact O-CB 3.5Å; A21-C25 PolarHBondContact O-N 3.07Å; C25-H27 VanDerWaalsContact C-N 3.31Å; C25-H27 PolarHBondContact O-N 2.93Å; C25-I28 WeakPolarHBondContact SG-CG2 3.37Å; C25-R52 PolarHBondContact O-NH2 2.8Å; C25-P75 HydrophobicContact CB-CB 4.1Å | ||
| 26 | S | 93.6 | Very high | 88.4 | Confident | 39 Ų | 39 | 81.7 Ų | 81.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -65.8 | -35.7 | 175.7 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | D24 V49 D81 | D24-S26 PolarHBondContact O-N 3.48Å; S26-V49 PolarHBondContact O-N 2.94Å; S26-V49 VanDerWaalsContact O-N 3.07Å; S26-D81 PolarHBondContact OG-OD2 2.78Å |
| 27 | H | 95.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 15% | 0.148 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.7 | -177.3 | -62.7 | 72 | 0 | 0 | 0 | 111.7 | C25 P46 Y47 A76 R78 | C25-H27 VanDerWaalsContact C-N 3.31Å; C25-H27 PolarHBondContact O-N 2.93Å; H27-P46 HydrophobicContact CB-CB 3.88Å; H27-Y47 CarbonylContact C-O 3.51Å; H27-Y47 WeakPolarHBondContact CA-O 3.42Å; H27-Y47 WeakPolarHBondContact CB-O 3.14Å; H27-A76 HydrophobicContact CB-CB 3.93Å; H27-A76 WeakPolarHBondContact O-CB 3.38Å; H27-A76 PolarHBondContact O-N 2.83Å; H27-R78 PolarHBondContact CE1-NH1 3.34Å |
| 28 | I | 96.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 151.5 | 176.5 | 62.9 | 178.1 | 0 | 0 | 0 | 111.8 | L22 C25 V30 Y47 V49 F57 V59 V68 T73 K74 | L22-I28 HydrophobicContact CD2-CG2 4.06Å; C25-I28 WeakPolarHBondContact SG-CG2 3.37Å; I28-V30 HydrophobicContact CD1-CG2 4.34Å; I28-V30 HydrophobicContact CG1-CG2 4.31Å; I28-Y47 PolarHBondContact N-O 2.93Å; I28-Y47 PolarHBondContact O-N 3.37Å; I28-V49 HydrophobicContact CB-CG2 4.39Å; I28-V49 HydrophobicContact CD1-CG2 4.17Å; I28-V49 HydrophobicContact CG1-CG2 3.99Å; I28-V49 HydrophobicContact CG2-CG2 3.75Å; I28-F57 HydrophobicContact CD1-CB 3.69Å; I28-F57 HydrophobicContact CD1-CD2 3.81Å; I28-F57 HydrophobicContact CD1-CG 3.78Å; I28-V59 HydrophobicContact CD1-CG1 3.4Å; I28-V59 VanDerWaalsContact CD1-CG1 3.4Å; I28-V59 HydrophobicContact CG1-CG1 3.65Å; I28-V68 HydrophobicContact CD1-CG2 4.15Å; I28-T73 HydrophobicContact CD1-CG2 3.72Å; I28-K74 CarbonylContact C-O 3.51Å; I28-K74 VanDerWaalsContact CA-O 3.26Å; I28-K74 WeakPolarHBondContact CA-O 3.35Å; I28-K74 WeakPolarHBondContact CB-O 3.44Å |
| 29 | F | 96.1 | Very high | 87.1 | Confident | 71 Ų | 71 | 83 Ų | 83 | 31% | 0.311 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 138 | 163.8 | -67.1 | -77.6 | 0 | 0 | 0 | 109.4 | Y43 A44 G45 P46 T73 K74 A76 | F29-Y43 HydrophobicContact CB-CD1 4.27Å; F29-A44 CarbonylContact C-O 3.53Å; F29-A44 WeakPolarHBondContact CA-O 3.47Å; F29-G45 VanDerWaalsContact CE1-O 3.24Å; F29-G45 WeakPolarHBondContact CE1-O 3.41Å; F29-P46 HydrophobicContact CE1-CB 4.41Å; F29-P46 HydrophobicContact CZ-CB 4.48Å; F29-T73 CarbonylContact O-C 3.57Å; F29-T73 VanDerWaalsContact O-CA 3.24Å; F29-T73 WeakPolarHBondContact O-CA 3.38Å; F29-K74 HydrophobicContact CB-CB 4.32Å; F29-K74 PolarHBondContact N-O 3.22Å; F29-K74 PolarHBondContact O-N 2.88Å; F29-A76 HydrophobicContact CD2-CB 3.66Å; F29-A76 HydrophobicContact CE2-CB 3.4Å; F29-A76 HydrophobicContact CZ-CB 4.07Å |
| 30 | V | 95.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 83.4 Ų | 83.4 | 1% | 0.006 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131 | -179.1 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | I28 E32 Y43 A44 Y47 M66 V68 T73 | I28-V30 HydrophobicContact CD1-CG2 4.34Å; I28-V30 HydrophobicContact CG1-CG2 4.31Å; V30-E32 PolarHBondContact O-N 2.82Å; V30-Y43 CarbonylContact O-C 3.55Å; V30-Y43 VanDerWaalsContact O-CA 3.24Å; V30-Y43 WeakPolarHBondContact O-CA 3.44Å; V30-A44 PolarHBondContact N-O 2.9Å; V30-A44 PolarHBondContact O-N 2.92Å; V30-Y47 HydrophobicContact CB-CD2 4.15Å; V30-Y47 HydrophobicContact CB-CE2 4.08Å; V30-Y47 HydrophobicContact CG2-CD2 3.75Å; V30-Y47 HydrophobicContact CG2-CE2 4.18Å; V30-M66 HydrophobicContact CB-CE 4.44Å; V30-M66 HydrophobicContact CG1-CE 3.65Å; V30-V68 HydrophobicContact CG1-CB 4.41Å; V30-V68 HydrophobicContact CG1-CG1 3.75Å; V30-V68 HydrophobicContact CG2-CG1 4.18Å; V30-V68 HydrophobicContact CG2-CG2 4.16Å; V30-T73 HydrophobicContact CG2-CG2 4.47Å |
| 31 | R | 93.2 | Very high | 86.7 | Confident | 130 Ų | 130 | 80.8 Ų | 80.8 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120.7 | 174.3 | -170.8 | 179.1 | 177.6 | -130.6 | -5.4 | 110.4 | P42 Y43 R72 | R31-P42 WeakPolarHBondContact CA-O 3.48Å; R31-P42 WeakPolarHBondContact CG-O 3.16Å; R31-Y43 HydrophobicContact CB-CD1 3.86Å; R31-Y43 HydrophobicContact CB-CE1 3.67Å; R31-Y43 HydrophobicContact CG-CE1 4.34Å; R31-R72 HydrophobicContact CB-CB 4.28Å; R31-R72 WeakPolarHBondContact CB-O 3.28Å; R31-R72 PolarHBondContact N-O 3.39Å; R31-R72 PolarHBondContact O-NE 2.81Å; R31-R72 PolarHBondContact O-NH2 3.29Å |
| 32 | E | 85.6 | Confident | 86.6 | Confident | 87 Ų | 87 | 82.7 Ų | 82.7 | 41% | 0.407 | 46% | 0.464 | S | S | . | . | trans | -69.8 | 138.8 | 176.5 | -71.2 | -61.2 | 155.3 | 0 | 0 | 111.2 | V30 G34 P42 A44 | V30-E32 PolarHBondContact O-N 2.82Å; E32-G34 PolarHBondContact O-N 2.98Å; E32-P42 PolarHBondContact N-O 3.47Å; E32-P42 VanDerWaalsContact N-O 3.15Å; E32-A44 HydrophobicContact CG-CB 4.01Å; E32-A44 WeakPolarHBondContact OE1-CB 3.49Å | ||
| 33 | P | 80.1 | Confident | 86.6 | Confident | 96 Ų | 96 | 85.2 Ų | 85.2 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -77.9 | 113.4 | 174.9 | 26.8 | -22 | 0 | 0 | 0 | 109.4 | R72 | P33-R72 VanDerWaalsContact CB-NH2 3.28Š|
| 34 | G | 80.9 | Confident | 86.7 | Confident | 62 Ų | 62 | 79.6 Ų | 79.6 | 64% | 0.639 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 142.7 | 179.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E32 S36 | E32-G34 PolarHBondContact O-N 2.98Å; G34-S36 PolarHBondContact O-N 3.46Å |
| 35 | F | 67.6 | Low | 86.7 | Confident | 215 Ų | 215 | 74.4 Ų | 74.4 | 94% | 0.943 | 43% | 0.433 | S | S | * | . | trans | -75.9 | 100.9 | 170.8 | -59.5 | -82.3 | 0 | 0 | 0 | 107.6 | I37 | F35-I37 PolarHBondContact O-N 2.91Š| ||
| 36 | S | 64.9 | Low | 86.8 | Confident | 63 Ų | 63 | 77 Ų | 77 | 44% | 0.441 | 45% | 0.45 | S | S | . | . | trans | -49.4 | 127.1 | 161 | 49.8 | 0 | 0 | 0 | 0 | 107.6 | G34 A40 | G34-S36 PolarHBondContact O-N 3.46Å; S36-A40 WeakPolarHBondContact CB-O 3.27Å | ||
| 37 | I | 76 | Confident | 86.9 | Confident | 147 Ų | 147 | 77.8 Ų | 77.8 | 75% | 0.754 | 45% | 0.447 | S | S | * | . | trans | -46.8 | 147.9 | 166 | -62.8 | 169.4 | 0 | 0 | 0 | 107.2 | F35 L39 A40 | F35-I37 PolarHBondContact O-N 2.91Å; I37-L39 PolarHBondContact O-N 3.38Å; I37-A40 HydrophobicContact CB-CB 4.42Å; I37-A40 PolarHBondContact O-N 2.69Å | ||
| 38 | A | 79.5 | Confident | 86.9 | Confident | 99 Ų | 99 | 83.5 Ų | 83.5 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.6 | -31.8 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 39 | L | 83.3 | Confident | 86.9 | Confident | 170 Ų | 170 | 84.1 Ų | 84.1 | 89% | 0.89 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 8.9 | 179.7 | -57.4 | 176.5 | 0 | 0 | 0 | 115.3 | I37 | I37-L39 PolarHBondContact O-N 3.38Š|
| 40 | A | 85.8 | Confident | 86.9 | Confident | 42 Ų | 42 | 84.3 Ų | 84.3 | 35% | 0.347 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -72.6 | 138.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S36 I37 | S36-A40 WeakPolarHBondContact CB-O 3.27Å; I37-A40 HydrophobicContact CB-CB 4.42Å; I37-A40 PolarHBondContact O-N 2.69Å |
| 41 | P | 88.1 | Confident | 86.9 | Confident | 99 Ų | 99 | 90.5 Ų | 90.5 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | trans | -63.6 | 134.6 | 179.9 | 26.3 | -33.6 | 0 | 0 | 0 | 110.1 | Y43 | P41-Y43 PolarHBondContact O-N 2.8Š| ||
| 42 | P | 90.4 | Very high | 87 | Confident | 69 Ų | 69 | 89.7 Ų | 89.7 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -71.5 | -10.5 | -179.2 | 24.2 | -29.8 | 0 | 0 | 0 | 113.4 | R31 E32 | R31-P42 WeakPolarHBondContact CA-O 3.48Å; R31-P42 WeakPolarHBondContact CG-O 3.16Å; E32-P42 PolarHBondContact N-O 3.47Å; E32-P42 VanDerWaalsContact N-O 3.15Å |
| 43 | Y | 93.7 | Very high | 87.5 | Confident | 69 Ų | 69 | 89.5 Ų | 89.5 | 27% | 0.271 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.8 | 176.9 | -63.5 | -100.6 | 0 | 0 | 0 | 110.2 | F29 V30 R31 P41 K74 | F29-Y43 HydrophobicContact CB-CD1 4.27Å; V30-Y43 CarbonylContact O-C 3.55Å; V30-Y43 VanDerWaalsContact O-CA 3.24Å; V30-Y43 WeakPolarHBondContact O-CA 3.44Å; R31-Y43 HydrophobicContact CB-CD1 3.86Å; R31-Y43 HydrophobicContact CB-CE1 3.67Å; R31-Y43 HydrophobicContact CG-CE1 4.34Å; P41-Y43 PolarHBondContact O-N 2.8Å; Y43-K74 HydrophobicContact CD1-CG 4.48Å; Y43-K74 HydrophobicContact CE1-CD 4.07Å; Y43-K74 HydrophobicContact CE1-CG 3.91Å; Y43-K74 HydrophobicContact CE2-CD 4.43Å |
| 44 | A | 92.5 | Very high | 88 | Confident | 24 Ų | 24 | 92.3 Ų | 92.3 | 20% | 0.198 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 165.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | F29 V30 E32 Y47 | F29-A44 CarbonylContact C-O 3.53Å; F29-A44 WeakPolarHBondContact CA-O 3.47Å; V30-A44 PolarHBondContact N-O 2.9Å; V30-A44 PolarHBondContact O-N 2.92Å; E32-A44 HydrophobicContact CG-CB 4.01Å; E32-A44 WeakPolarHBondContact OE1-CB 3.49Å; A44-Y47 VanDerWaalsContact C-CE2 3.44Å; A44-Y47 HydrophobicContact CB-CE2 3.96Å; A44-Y47 WeakPolarHBondContact CB-OH 3.24Å; A44-Y47 WeakPolarHBondContact O-CE2 3.34Å |
| 45 | G | 90.6 | Very high | 88.7 | Confident | 33 Ų | 33 | 97.3 Ų | 97.3 | 34% | 0.34 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.2 | -178.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F29 Y47 | F29-G45 VanDerWaalsContact CE1-O 3.24Å; F29-G45 WeakPolarHBondContact CE1-O 3.41Å; G45-Y47 VanDerWaalsContact CA-CE2 3.48Å |
| 46 | P | 93.9 | Very high | 90.1 | Very high | 70 Ų | 70 | 89.1 Ų | 89.1 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -81.4 | 129.5 | 30.2 | 29.5 | -36.1 | 0 | 0 | 0 | 114.9 | H27 F29 A76 | H27-P46 HydrophobicContact CB-CB 3.88Å; F29-P46 HydrophobicContact CE1-CB 4.41Å; F29-P46 HydrophobicContact CZ-CB 4.48Å; P46-A76 HydrophobicContact CB-CB 3.8Å |
| 47 | Y | 95.6 | Very high | 91.6 | Very high | 55 Ų | 55 | 86.4 Ų | 86.4 | 22% | 0.216 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139 | 173.3 | -60.1 | -78.5 | 0 | 0 | 0 | 111.2 | H27 I28 V30 A44 G45 V49 V59 D60 | H27-Y47 CarbonylContact C-O 3.51Å; H27-Y47 WeakPolarHBondContact CA-O 3.42Å; H27-Y47 WeakPolarHBondContact CB-O 3.14Å; I28-Y47 PolarHBondContact N-O 2.93Å; I28-Y47 PolarHBondContact O-N 3.37Å; V30-Y47 HydrophobicContact CB-CD2 4.15Å; V30-Y47 HydrophobicContact CB-CE2 4.08Å; V30-Y47 HydrophobicContact CG2-CD2 3.75Å; V30-Y47 HydrophobicContact CG2-CE2 4.18Å; A44-Y47 VanDerWaalsContact C-CE2 3.44Å; A44-Y47 HydrophobicContact CB-CE2 3.96Å; A44-Y47 WeakPolarHBondContact CB-OH 3.24Å; A44-Y47 WeakPolarHBondContact O-CE2 3.34Å; G45-Y47 VanDerWaalsContact CA-CE2 3.48Å; Y47-V49 PolarHBondContact O-N 2.99Å; Y47-V59 HydrophobicContact CG-CG2 4.26Å; Y47-D60 WeakPolarHBondContact CD1-O 3.41Å |
| 48 | R | 95.6 | Very high | 92.6 | Very high | 152 Ų | 152 | 80.2 Ų | 80.2 | 57% | 0.574 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.3 | 175.2 | -176.3 | -178.9 | -179.5 | -163.8 | 1.9 | 109.9 | V59 D60 | R48-V59 CarbonylContact O-C 3.45Å; R48-V59 VanDerWaalsContact O-CA 3.27Å; R48-V59 WeakPolarHBondContact O-CA 3.24Å; R48-D60 HydrophobicContact CB-CB 4.23Å; R48-D60 PolarHBondContact O-N 3.32Å |
| 49 | V | 96.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 75.5 Ų | 75.5 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.2 | 174.3 | -178 | 0 | 0 | 0 | 0 | 109.4 | S26 I28 Y47 R52 F57 | S26-V49 PolarHBondContact O-N 2.94Å; S26-V49 VanDerWaalsContact O-N 3.07Å; I28-V49 HydrophobicContact CB-CG2 4.39Å; I28-V49 HydrophobicContact CD1-CG2 4.17Å; I28-V49 HydrophobicContact CG1-CG2 3.99Å; I28-V49 HydrophobicContact CG2-CG2 3.75Å; Y47-V49 PolarHBondContact O-N 2.99Å; V49-R52 HydrophobicContact CG1-CG 3.75Å; V49-F57 HydrophobicContact CG1-CD1 3.78Å; V49-F57 HydrophobicContact CG1-CE1 4.39Å; V49-F57 HydrophobicContact CG2-CD1 4.46Å |
| 50 | L | 96.4 | Very high | 94 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -45 | 177.8 | -61.5 | 177.4 | 0 | 0 | 0 | 111.7 | T58 D60 P65 | L50-T58 WeakPolarHBondContact CA-O 3.32Å; L50-T58 HydrophobicContact CB-CG2 4.48Å; L50-T58 WeakPolarHBondContact CB-O 3.37Å; L50-T58 PolarHBondContact N-O 3.33Å; L50-D60 HydrophobicContact CD1-CB 4.04Å; L50-D60 HydrophobicContact CD2-CB 4.16Å; L50-D60 HydrophobicContact CG-CB 4.11Å; L50-P65 HydrophobicContact CD1-CB 4.05Å; L50-P65 HydrophobicContact CD1-CG 4.17Å |
| 51 | Q | 95.9 | Very high | 94.2 | Very high | 130 Ų | 130 | 70.9 Ų | 70.9 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152 | 179.2 | -63.3 | 179.9 | -32.3 | 0 | 0 | 110.8 | T58 | Q51-T58 PolarHBondContact N-O 3.16Å; Q51-T58 PolarHBondContact O-N 2.98Å |
| 52 | R | 94.8 | Very high | 94.3 | Very high | 114 Ų | 114 | 69.4 Ų | 69.4 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.8 | 179.3 | -55.1 | -172.3 | 175.8 | 72.8 | 2 | 109.8 | K23 C25 V49 F57 | K23-R52 WeakPolarHBondContact O-CD 3.39Å; K23-R52 PolarHBondContact O-NE 2.72Å; C25-R52 PolarHBondContact O-NH2 2.8Å; V49-R52 HydrophobicContact CG1-CG 3.75Å; R52-F57 HydrophobicContact CB-CD1 4.31Å; R52-F57 HydrophobicContact CB-CE1 4.2Å; R52-F57 HydrophobicContact CG-CD1 3.81Å; R52-F57 HydrophobicContact CG-CE1 3.67Å |
| 53 | T | 94.9 | Very high | 94.1 | Very high | 83 Ų | 83 | 77.7 Ų | 77.7 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | trans | -137 | 164.2 | 171.6 | -48.2 | 0 | 0 | 0 | 0 | 107.8 | K55 T56 | T53-K55 PolarHBondContact O-N 2.99Å; T53-T56 PolarHBondContact N-O 3.41Å; T53-T56 PolarHBondContact O-N 3.08Å | ||
| 54 | D | 92.3 | Very high | 94.1 | Very high | 155 Ų | 155 | 79.5 Ų | 79.5 | 83% | 0.829 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -54.4 | -21.6 | -178.4 | -59.8 | -21.1 | 0 | 0 | 0 | 115.2 | I70 | D54-I70 WeakPolarHBondContact O-CD1 3.33Š|
| 55 | K | 94.7 | Very high | 94.2 | Very high | 167 Ų | 167 | 82 Ų | 82 | 73% | 0.726 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -128.9 | -10.2 | -176.9 | -64.7 | -176.2 | -180 | 176 | 0 | 114.5 | T53 A69 I70 | T53-K55 PolarHBondContact O-N 2.99Å; K55-A69 WeakPolarHBondContact O-CA 3.38Å; K55-I70 VanDerWaalsContact C-CG1 3.49Å; K55-I70 PolarHBondContact O-N 3.22Å |
| 56 | T | 96.2 | Very high | 94.4 | Very high | 42 Ų | 42 | 83.7 Ų | 83.7 | 26% | 0.258 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 149.6 | -171.5 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | T53 T67 V68 | T53-T56 PolarHBondContact N-O 3.41Å; T53-T56 PolarHBondContact O-N 3.08Å; T56-T67 HydrophobicContact CG2-CG2 4.09Å; T56-V68 CarbonylContact C-O 3.51Å; T56-V68 WeakPolarHBondContact CA-O 3.22Å; T56-V68 WeakPolarHBondContact CB-O 3.37Å |
| 57 | F | 96.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 84.6 Ų | 84.6 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.9 | 165.6 | -69.7 | -71.3 | 0 | 0 | 0 | 109.8 | L22 I28 V49 R52 V59 T67 V68 I70 T73 | L22-F57 HydrophobicContact CB-CE2 4.47Å; L22-F57 HydrophobicContact CB-CZ 4.1Å; L22-F57 HydrophobicContact CD2-CE2 4.16Å; L22-F57 HydrophobicContact CD2-CZ 4.38Å; L22-F57 WeakPolarHBondContact O-CZ 3.24Å; I28-F57 HydrophobicContact CD1-CB 3.69Å; I28-F57 HydrophobicContact CD1-CD2 3.81Å; I28-F57 HydrophobicContact CD1-CG 3.78Å; V49-F57 HydrophobicContact CG1-CD1 3.78Å; V49-F57 HydrophobicContact CG1-CE1 4.39Å; V49-F57 HydrophobicContact CG2-CD1 4.46Å; R52-F57 HydrophobicContact CB-CD1 4.31Å; R52-F57 HydrophobicContact CB-CE1 4.2Å; R52-F57 HydrophobicContact CG-CD1 3.81Å; R52-F57 HydrophobicContact CG-CE1 3.67Å; F57-V59 HydrophobicContact CB-CG1 4.34Å; F57-T67 CarbonylContact O-C 3.57Å; F57-T67 VanDerWaalsContact O-CA 3.31Å; F57-T67 WeakPolarHBondContact O-CA 3.48Å; F57-V68 HydrophobicContact CB-CG2 3.83Å; F57-V68 PolarHBondContact N-O 3.46Å; F57-V68 WeakPolarHBondContact O-CG2 3.42Å; F57-V68 PolarHBondContact O-N 2.64Å; F57-I70 HydrophobicContact CD2-CG1 3.93Å; F57-I70 HydrophobicContact CE2-CB 4.31Å; F57-I70 HydrophobicContact CE2-CG1 3.67Å; F57-I70 HydrophobicContact CE2-CG2 4.26Å; F57-I70 HydrophobicContact CZ-CG1 4.37Å; F57-T73 HydrophobicContact CD2-CG2 4.06Å |
| 58 | T | 97.2 | Very high | 94.5 | Very high | 17 Ų | 17 | 82.5 Ų | 82.5 | 10% | 0.104 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.7 | 163.9 | -58 | 0 | 0 | 0 | 0 | 107.5 | L50 Q51 P65 M66 | L50-T58 WeakPolarHBondContact CA-O 3.32Å; L50-T58 HydrophobicContact CB-CG2 4.48Å; L50-T58 WeakPolarHBondContact CB-O 3.37Å; L50-T58 PolarHBondContact N-O 3.33Å; Q51-T58 PolarHBondContact N-O 3.16Å; Q51-T58 PolarHBondContact O-N 2.98Å; T58-P65 HydrophobicContact CG2-CB 3.64Å; T58-M66 CarbonylContact C-O 3.58Å; T58-M66 WeakPolarHBondContact CA-O 3.44Å |
| 59 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 154.1 | -177.6 | -60 | 0 | 0 | 0 | 0 | 112.2 | I28 Y47 R48 F57 A61 P65 M66 | I28-V59 HydrophobicContact CD1-CG1 3.4Å; I28-V59 VanDerWaalsContact CD1-CG1 3.4Å; I28-V59 HydrophobicContact CG1-CG1 3.65Å; Y47-V59 HydrophobicContact CG-CG2 4.26Å; R48-V59 CarbonylContact O-C 3.45Å; R48-V59 VanDerWaalsContact O-CA 3.27Å; R48-V59 WeakPolarHBondContact O-CA 3.24Å; F57-V59 HydrophobicContact CB-CG1 4.34Å; V59-A61 PolarHBondContact O-N 3.1Å; V59-P65 WeakPolarHBondContact O-CA 3.43Å; V59-M66 HydrophobicContact CG2-CB 4.02Å; V59-M66 WeakPolarHBondContact CG2-O 3.12Å; V59-M66 PolarHBondContact N-O 3.12Å; V59-M66 PolarHBondContact O-N 3.3Å |
| 60 | D | 96.1 | Very high | 94.4 | Very high | 68 Ų | 68 | 78.4 Ų | 78.4 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | trans | -77.4 | 105.4 | 172 | -171.7 | -4 | 0 | 0 | 0 | 110.5 | Y47 R48 L50 G62 | Y47-D60 WeakPolarHBondContact CD1-O 3.41Å; R48-D60 HydrophobicContact CB-CB 4.23Å; R48-D60 PolarHBondContact O-N 3.32Å; L50-D60 HydrophobicContact CD1-CB 4.04Å; L50-D60 HydrophobicContact CD2-CB 4.16Å; L50-D60 HydrophobicContact CG-CB 4.11Å; D60-G62 WeakPolarHBondContact OD1-CA 3.26Å; D60-G62 PolarHBondContact OD1-N 3.17Å | ||
| 61 | A | 90.7 | Very high | 94.3 | Very high | 47 Ų | 47 | 82 Ų | 82 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | trans | -101 | 19.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V59 R63 M66 | V59-A61 PolarHBondContact O-N 3.1Å; A61-R63 PolarHBondContact O-N 3.4Å; A61-M66 HydrophobicContact CB-CB 3.99Å | ||
| 62 | G | 88.9 | Confident | 94.2 | Very high | 67 Ų | 67 | 79.9 Ų | 79.9 | 69% | 0.691 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 89.4 | -50.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | D60 | D60-G62 WeakPolarHBondContact OD1-CA 3.26Å; D60-G62 PolarHBondContact OD1-N 3.17Å |
| 63 | R | 87 | Confident | 94.2 | Very high | 243 Ų | 243 | 75 Ų | 75 | 92% | 0.917 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -101 | -51.7 | 179.6 | -73.1 | -170.4 | -178.9 | -170.9 | 1.2 | 113.5 | A61 | A61-R63 PolarHBondContact O-N 3.4Š|
| 64 | V | 93.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 76.2 Ų | 76.2 | 65% | 0.648 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -130.1 | 133.7 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 107 | M66 | V64-M66 PolarHBondContact O-N 3Š|
| 65 | P | 95.4 | Very high | 94.4 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | trans | -54.7 | 133.2 | 172.3 | -25.9 | 35 | 0 | 0 | 0 | 111.1 | L50 T58 V59 | L50-P65 HydrophobicContact CD1-CB 4.05Å; L50-P65 HydrophobicContact CD1-CG 4.17Å; T58-P65 HydrophobicContact CG2-CB 3.64Å; V59-P65 WeakPolarHBondContact O-CA 3.43Å | ||
| 66 | M | 94.3 | Very high | 94.4 | Very high | 68 Ų | 68 | 62 Ų | 62 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126 | -178.8 | -175.5 | 169.2 | 109.1 | 0 | 0 | 110.3 | V30 T58 V59 A61 V64 V68 | V30-M66 HydrophobicContact CB-CE 4.44Å; V30-M66 HydrophobicContact CG1-CE 3.65Å; T58-M66 CarbonylContact C-O 3.58Å; T58-M66 WeakPolarHBondContact CA-O 3.44Å; V59-M66 HydrophobicContact CG2-CB 4.02Å; V59-M66 WeakPolarHBondContact CG2-O 3.12Å; V59-M66 PolarHBondContact N-O 3.12Å; V59-M66 PolarHBondContact O-N 3.3Å; A61-M66 HydrophobicContact CB-CB 3.99Å; V64-M66 PolarHBondContact O-N 3Å; M66-V68 HydrophobicContact CE-CG1 3.23Å; M66-V68 HydrophobicContact CG-CG1 4.04Å; M66-V68 HydrophobicContact SD-CG1 4.45Å |
| 67 | T | 96.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 68.1 Ų | 68.1 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 125.9 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | T56 F57 | T56-T67 HydrophobicContact CG2-CG2 4.09Å; F57-T67 CarbonylContact O-C 3.57Å; F57-T67 VanDerWaalsContact O-CA 3.31Å; F57-T67 WeakPolarHBondContact O-CA 3.48Å |
| 68 | V | 95.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 73.1 Ų | 73.1 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.7 | -177.2 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | I28 V30 T56 F57 M66 T73 | I28-V68 HydrophobicContact CD1-CG2 4.15Å; V30-V68 HydrophobicContact CG1-CB 4.41Å; V30-V68 HydrophobicContact CG1-CG1 3.75Å; V30-V68 HydrophobicContact CG2-CG1 4.18Å; V30-V68 HydrophobicContact CG2-CG2 4.16Å; T56-V68 CarbonylContact C-O 3.51Å; T56-V68 WeakPolarHBondContact CA-O 3.22Å; T56-V68 WeakPolarHBondContact CB-O 3.37Å; F57-V68 HydrophobicContact CB-CG2 3.83Å; F57-V68 PolarHBondContact N-O 3.46Å; F57-V68 WeakPolarHBondContact O-CG2 3.42Å; F57-V68 PolarHBondContact O-N 2.64Å; M66-V68 HydrophobicContact CE-CG1 3.23Å; M66-V68 HydrophobicContact CG-CG1 4.04Å; M66-V68 HydrophobicContact SD-CG1 4.45Å; V68-T73 HydrophobicContact CB-CG2 4.3Å; V68-T73 HydrophobicContact CG2-CG2 3.58Å |
| 69 | A | 95.5 | Very high | 93 | Very high | 45 Ų | 45 | 80.1 Ų | 80.1 | 37% | 0.372 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 142.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K55 D71 R72 | K55-A69 WeakPolarHBondContact O-CA 3.38Å; A69-D71 PolarHBondContact O-N 3.09Å; A69-D71 VanDerWaalsContact O-N 3.16Å; A69-R72 PolarHBondContact O-N 2.91Å |
| 70 | I | 95 | Very high | 91.9 | Very high | 33 Ų | 33 | 86.4 Ų | 86.4 | 17% | 0.169 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -54.7 | -37.6 | -178.6 | -66.2 | 170.5 | 0 | 0 | 0 | 112 | L22 D54 K55 F57 R72 T73 | L22-I70 HydrophobicContact CD1-CG2 4.07Å; D54-I70 WeakPolarHBondContact O-CD1 3.33Å; K55-I70 VanDerWaalsContact C-CG1 3.49Å; K55-I70 PolarHBondContact O-N 3.22Å; F57-I70 HydrophobicContact CD2-CG1 3.93Å; F57-I70 HydrophobicContact CE2-CB 4.31Å; F57-I70 HydrophobicContact CE2-CG1 3.67Å; F57-I70 HydrophobicContact CE2-CG2 4.26Å; F57-I70 HydrophobicContact CZ-CG1 4.37Å; I70-R72 PolarHBondContact O-N 3.21Å; I70-R72 VanDerWaalsContact O-N 3.08Å; I70-T73 PolarHBondContact O-N 3.48Å; I70-T73 PolarHBondContact O-OG1 3.49Å |
| 71 | D | 93.5 | Very high | 90.6 | Very high | 152 Ų | 152 | 87 Ų | 87 | 81% | 0.813 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -57.4 | -24.5 | 178.7 | -177.6 | 73 | 0 | 0 | 0 | 113.9 | A69 | A69-D71 PolarHBondContact O-N 3.09Å; A69-D71 VanDerWaalsContact O-N 3.16Å |
| 72 | R | 94.2 | Very high | 89.3 | Confident | 84 Ų | 84 | 89 Ų | 89 | 32% | 0.317 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -95.5 | 11.4 | 180 | -63.7 | -176.9 | 61.4 | 174.2 | -2 | 113.2 | R31 P33 A69 I70 | R31-R72 HydrophobicContact CB-CB 4.28Å; R31-R72 WeakPolarHBondContact CB-O 3.28Å; R31-R72 PolarHBondContact N-O 3.39Å; R31-R72 PolarHBondContact O-NE 2.81Å; R31-R72 PolarHBondContact O-NH2 3.29Å; P33-R72 VanDerWaalsContact CB-NH2 3.28Å; A69-R72 PolarHBondContact O-N 2.91Å; I70-R72 PolarHBondContact O-N 3.21Å; I70-R72 VanDerWaalsContact O-N 3.08Å |
| 73 | T | 95.3 | Very high | 88 | Confident | 12 Ų | 12 | 93.3 Ų | 93.3 | 7% | 0.074 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 153.2 | -171.5 | 67.9 | 0 | 0 | 0 | 0 | 112.7 | I28 F29 V30 F57 V68 I70 | I28-T73 HydrophobicContact CD1-CG2 3.72Å; F29-T73 CarbonylContact O-C 3.57Å; F29-T73 VanDerWaalsContact O-CA 3.24Å; F29-T73 WeakPolarHBondContact O-CA 3.38Å; V30-T73 HydrophobicContact CG2-CG2 4.47Å; F57-T73 HydrophobicContact CD2-CG2 4.06Å; V68-T73 HydrophobicContact CB-CG2 4.3Å; V68-T73 HydrophobicContact CG2-CG2 3.58Å; I70-T73 PolarHBondContact O-N 3.48Å; I70-T73 PolarHBondContact O-OG1 3.49Å |
| 74 | K | 95.5 | Very high | 86.6 | Confident | 108 Ų | 108 | 89 Ų | 89 | 47% | 0.47 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.2 | 166.9 | -73.2 | -173.5 | 173.5 | -173.7 | 0 | 109.6 | I28 F29 Y43 | I28-K74 CarbonylContact C-O 3.51Å; I28-K74 VanDerWaalsContact CA-O 3.26Å; I28-K74 WeakPolarHBondContact CA-O 3.35Å; I28-K74 WeakPolarHBondContact CB-O 3.44Å; F29-K74 HydrophobicContact CB-CB 4.32Å; F29-K74 PolarHBondContact N-O 3.22Å; F29-K74 PolarHBondContact O-N 2.88Å; Y43-K74 HydrophobicContact CD1-CG 4.48Å; Y43-K74 HydrophobicContact CE1-CD 4.07Å; Y43-K74 HydrophobicContact CE1-CG 3.91Å; Y43-K74 HydrophobicContact CE2-CD 4.43Å |
| 75 | P | 95.7 | Very high | 85.1 | Confident | 19 Ų | 19 | 88.6 Ų | 88.6 | 12% | 0.123 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 140.7 | 173 | 28.8 | -33.6 | 0 | 0 | 0 | 109.8 | A21 L22 C25 F77 | A21-P75 HydrophobicContact CB-CB 3.95Å; A21-P75 HydrophobicContact CB-CG 4.03Å; L22-P75 HydrophobicContact CD2-CB 4.05Å; L22-P75 HydrophobicContact CD2-CG 4.36Å; L22-P75 HydrophobicContact CG-CB 4.46Å; L22-P75 HydrophobicContact CG-CG 4.45Å; C25-P75 HydrophobicContact CB-CB 4.1Å; P75-F77 HydrophobicContact CB-CE2 4.35Å; P75-F77 HydrophobicContact CB-CZ 4.21Å; P75-F77 HydrophobicContact CG-CE2 3.91Å; P75-F77 HydrophobicContact CG-CZ 3.9Å |
| 76 | A | 94.6 | Very high | 83.4 | Confident | 4 Ų | 4 | 90.4 Ų | 90.4 | 3% | 0.033 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | H27 F29 P46 | H27-A76 HydrophobicContact CB-CB 3.93Å; H27-A76 WeakPolarHBondContact O-CB 3.38Å; H27-A76 PolarHBondContact O-N 2.83Å; F29-A76 HydrophobicContact CD2-CB 3.66Å; F29-A76 HydrophobicContact CE2-CB 3.4Å; F29-A76 HydrophobicContact CZ-CB 4.07Å; P46-A76 HydrophobicContact CB-CB 3.8Å |
| 77 | F | 91.9 | Very high | 82 | Confident | 171 Ų | 171 | 94.5 Ų | 94.5 | 75% | 0.75 | 50% | 0.496 | S | S | * | . | trans | -82 | 122.1 | 175.4 | -58.5 | -78 | 0 | 0 | 0 | 109.4 | A21 P75 | A21-F77 HydrophobicContact CB-CE1 3.79Å; A21-F77 HydrophobicContact CB-CZ 3.74Å; P75-F77 HydrophobicContact CB-CE2 4.35Å; P75-F77 HydrophobicContact CB-CZ 4.21Å; P75-F77 HydrophobicContact CG-CE2 3.91Å; P75-F77 HydrophobicContact CG-CZ 3.9Å | ||
| 78 | R | 85.7 | Confident | 80.4 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | trans | -108.9 | 143.8 | 176.9 | -58.7 | 177.8 | 73.1 | -149.8 | 6.4 | 108.7 | H27 N80 D81 | H27-R78 PolarHBondContact CE1-NH1 3.34Å; R78-N80 PolarHBondContact O-N 3.43Å; R78-D81 PolarHBondContact O-N 3.19Å; R78-D81 VanDerWaalsContact O-N 3.1Å | ||
| 79 | L | 81.7 | Confident | 79 | Confident | 164 Ų | 164 | 100.4 Ų | 100.4 | 86% | 0.859 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -56.1 | -34.4 | -179.2 | -69.7 | 170.7 | 0 | 0 | 0 | 112.5 | ||
| 80 | N | 75.1 | Confident | 77.7 | Confident | 132 Ų | 132 | 103.4 Ų | 103.4 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -83.2 | -8.8 | -176.8 | -59.7 | 6.1 | 0 | 0 | 0 | 114 | R78 V82 | R78-N80 PolarHBondContact O-N 3.43Å; N80-V82 VanDerWaalsContact C-N 3.28Å |
| 81 | D | 67.3 | Low | 76.5 | Confident | 80 Ų | 80 | 112.4 Ų | 112.4 | 43% | 0.428 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -85.2 | -7.8 | 178.4 | -66 | -4.1 | 0 | 0 | 0 | 111.2 | S26 R78 E83 | S26-D81 PolarHBondContact OG-OD2 2.78Å; R78-D81 PolarHBondContact O-N 3.19Å; R78-D81 VanDerWaalsContact O-N 3.1Å; D81-E83 VanDerWaalsContact C-N 3.33Å; D81-E83 PolarHBondContact O-N 3.34Å |
| 82 | V | 64.2 | Low | 75.6 | Confident | 91 Ų | 91 | 113.5 Ų | 113.5 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | trans | -89 | 71.9 | 175.5 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | N80 D84 | N80-V82 VanDerWaalsContact C-N 3.28Å; V82-D84 PolarHBondContact O-N 3.37Å | ||
| 83 | E | 61.3 | Low | 74.6 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 73% | 0.729 | 60% | 0.602 | S | S | * | * | trans | -70.8 | 117 | 161.3 | -69.9 | -79.7 | 129.2 | 0 | 0 | 107.5 | D81 T85 | D81-E83 VanDerWaalsContact C-N 3.33Å; D81-E83 PolarHBondContact O-N 3.34Å; E83-T85 PolarHBondContact O-N 3.04Å | ||
| 84 | D | 57.6 | Low | 73.8 | Confident | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 45.9 | 41.8 | 160.1 | -70.4 | -30.8 | 0 | 0 | 0 | 118.8 | V82 P86 | V82-D84 PolarHBondContact O-N 3.37Å; D84-P86 WeakPolarHBondContact O-CD 3.39Å |
| 85 | T | 61.4 | Low | 73.1 | Confident | 100 Ų | 100 | 121.3 Ų | 121.3 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | trans | -85.2 | 116.8 | 157.2 | -55.1 | 0 | 0 | 0 | 0 | 108.2 | E83 L87 | E83-T85 PolarHBondContact O-N 3.04Å; T85-L87 PolarHBondContact O-N 2.93Å | ||
| 86 | P | 60.7 | Low | 72.3 | Confident | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 113.1 | 174.3 | -19.8 | 30.2 | 0 | 0 | 0 | 108.4 | D84 P88 | D84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-P88 WeakPolarHBondContact O-CD 3.4Å; P86-P88 VanDerWaalsContact O-N 3.15Å | ||
| 87 | L | 63.8 | Low | 71.6 | Confident | 153 Ų | 153 | 139 Ų | 139 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | trans | -55.4 | 122.6 | 171.6 | -63.1 | 164.5 | 0 | 0 | 0 | 106.4 | T85 S89 | T85-L87 PolarHBondContact O-N 2.93Å; L87-S89 PolarHBondContact O-N 3.02Å | ||
| 88 | P | 63.1 | Low | 70.8 | Confident | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -58.3 | 121.7 | 168.3 | 23.6 | -30.4 | 0 | 0 | 0 | 106.3 | P86 S90 | P86-P88 WeakPolarHBondContact O-CD 3.4Å; P86-P88 VanDerWaalsContact O-N 3.15Å; P88-S90 PolarHBondContact O-N 2.89Å | ||
| 89 | S | 65.9 | Low | 70 | Confident | 113 Ų | 113 | 136.5 Ų | 136.5 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -39.3 | 116 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | L87 R91 | L87-S89 PolarHBondContact O-N 3.02Å; S89-R91 PolarHBondContact O-N 3.03Å |
| 90 | S | 69.1 | Low | 69.3 | Low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | 5.7 | 88.9 | 173.4 | 178 | 0 | 0 | 0 | 0 | 113.3 | P88 Q92 | P88-S90 PolarHBondContact O-N 2.89Å; S90-Q92 PolarHBondContact O-N 3.03Å | ||
| 91 | R | 69.7 | Low | 68.8 | Low | 223 Ų | 223 | 130 Ų | 130 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | trans | -61.4 | 103.4 | 174.1 | -152.5 | 174.4 | -172.7 | 168.3 | 2.1 | 106.3 | S89 V93 | S89-R91 PolarHBondContact O-N 3.03Å; R91-V93 VanDerWaalsContact C-N 3.33Å; R91-V93 PolarHBondContact O-N 2.85Å | ||
| 92 | Q | 73.5 | Confident | 68.5 | Low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -62.3 | 100.7 | 174.3 | -77 | -170.9 | -50.3 | 0 | 0 | 107.1 | S90 T94 | S90-Q92 PolarHBondContact O-N 3.03Å; Q92-T94 PolarHBondContact O-N 2.84Å; Q92-T94 VanDerWaalsContact O-N 3.12Å | ||
| 93 | V | 74.1 | Confident | 68.1 | Low | 97 Ų | 97 | 135.9 Ų | 135.9 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | trans | -78.6 | 95 | 171.7 | -179 | 0 | 0 | 0 | 0 | 106.1 | R91 F95 | R91-V93 VanDerWaalsContact C-N 3.33Å; R91-V93 PolarHBondContact O-N 2.85Å; V93-F95 HydrophobicContact CB-CE2 4.34Å; V93-F95 HydrophobicContact CG1-CD1 4.4Å; V93-F95 HydrophobicContact CG1-CD2 4.26Å; V93-F95 HydrophobicContact CG1-CE1 4.03Å; V93-F95 HydrophobicContact CG1-CE2 3.88Å; V93-F95 HydrophobicContact CG1-CZ 3.76Å; V93-F95 PolarHBondContact O-N 3.23Å | ||
| 94 | T | 78.6 | Confident | 67.6 | Low | 109 Ų | 109 | 132.9 Ų | 132.9 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -76.4 | 104.9 | 169.7 | -49.6 | 0 | 0 | 0 | 0 | 108 | Q92 Q96 | Q92-T94 PolarHBondContact O-N 2.84Å; Q92-T94 VanDerWaalsContact O-N 3.12Å; T94-Q96 HydrophobicContact CG2-CG 4.46Å; T94-Q96 PolarHBondContact O-N 3.12Å; T94-Q96 VanDerWaalsContact O-N 3.09Å | ||
| 95 | F | 79.9 | Confident | 67.2 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -70.8 | 101.3 | 169.3 | -65.2 | -83.3 | 0 | 0 | 0 | 108.6 | V93 W97 | V93-F95 HydrophobicContact CB-CE2 4.34Å; V93-F95 HydrophobicContact CG1-CD1 4.4Å; V93-F95 HydrophobicContact CG1-CD2 4.26Å; V93-F95 HydrophobicContact CG1-CE1 4.03Å; V93-F95 HydrophobicContact CG1-CE2 3.88Å; V93-F95 HydrophobicContact CG1-CZ 3.76Å; V93-F95 PolarHBondContact O-N 3.23Å; F95-W97 PolarHBondContact O-N 3.09Å | ||
| 96 | Q | 78.5 | Confident | 66.6 | Low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -80.1 | 108.6 | 168.2 | -67.2 | -170.2 | 6.9 | 0 | 0 | 108.3 | T94 | T94-Q96 HydrophobicContact CG2-CG 4.46Å; T94-Q96 PolarHBondContact O-N 3.12Å; T94-Q96 VanDerWaalsContact O-N 3.09Å | ||
| 97 | W | 79.9 | Confident | 66 | Low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -69.2 | 136.3 | 166.8 | -70.7 | 91 | 0 | 0 | 0 | 109 | F95 | F95-W97 PolarHBondContact O-N 3.09Š| ||
| 98 | P | 76 | Confident | 65.5 | Low | 93 Ų | 93 | 134 Ų | 134 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | trans | -62 | 131.2 | 173.9 | 23.3 | -30.2 | 0 | 0 | 0 | 109.6 | G100 | P98-G100 PolarHBondContact O-N 3.36Å; P98-G100 VanDerWaalsContact O-N 3.14Å | ||
| 99 | P | 69.5 | Low | 64.8 | Low | 138 Ų | 138 | 135.3 Ų | 135.3 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 113.9 | 177 | 25.1 | -30 | 0 | 0 | 0 | 108.8 | ||
| 100 | G | 67 | Low | 64.2 | Low | 70 Ų | 70 | 142.4 Ų | 142.4 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.2 | 9.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | P98 L102 | P98-G100 PolarHBondContact O-N 3.36Å; P98-G100 VanDerWaalsContact O-N 3.14Å; G100-L102 PolarHBondContact O-N 3.14Å |
| 101 | A | 63 | Low | 63.9 | Low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -69.9 | 20.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 102 | L | 61 | Low | 63.6 | Low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -113.2 | 110.5 | 166.3 | -89.4 | 159.8 | 0 | 0 | 0 | 106.5 | G100 | G100-L102 PolarHBondContact O-N 3.14Š| ||
| 103 | V | 55.6 | Low | 63.1 | Low | 137 Ų | 137 | 138.1 Ų | 138.1 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | 152.1 | 130.4 | 133.5 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 104 | A | 52.3 | Low | 62.5 | Low | 94 Ų | 94 | 140.5 Ų | 140.5 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 82.4 | 126 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 105 | S | 49.2 | Very low | 61.4 | Low | 99 Ų | 99 | 142.5 Ų | 142.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | cis | -173.9 | 160.7 | 30.9 | -158.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 106 | R | 48 | Very low | 60.2 | Low | 207 Ų | 207 | 141.1 Ų | 141.1 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | 80.1 | 138.1 | 158 | -52.2 | -175.9 | 171.4 | -167.3 | -11.4 | 116 | ||||
| 107 | E | 48.7 | Very low | 58.9 | Low | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | cis | -168.9 | 157.5 | 34.5 | -151.6 | 101.6 | 74.7 | 0 | 0 | 109.2 | ||||
| 108 | G | 52 | Low | 57.3 | Low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 141 | 72.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 109 | V | 49.5 | Very low | 55.7 | Low | 139 Ų | 139 | 135.9 Ų | 135.9 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | 48.9 | 95.1 | 77.9 | 168.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 110 | M | 52.8 | Low | 54.5 | Low | 262 Ų | 262 | 135.7 Ų | 135.7 | 100% | 1.291 | 82% | 0.818 | S | S | * | * | trans | -147.8 | 0 | 138.5 | -133.2 | 171.7 | 177.3 | 0 | 0 | 108.3 |
Retrieved 110 of 110 residues in 100.2 ms
(Link to these results)