| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.3 | Low | 51.8 | Low | 173 Ų | 173 | 132.1 Ų | 132.1 | 85% | 0.852 | 63% | 0.634 | S | S | * | * | 0 | 149.8 | 0 | -81.6 | 127 | 170.9 | 0 | 0 | 107.2 | I26 | M1-I26 PolarHBondContact N-O 2.78Å; M1-I26 WeakPolarHBondContact O-CA 3.48Å; M1-I26 VanDerWaalsContact O-CB 3.29Å; M1-I26 WeakPolarHBondContact O-CB 3.37Å; M1-I26 PolarHBondContact O-N 2.87Å | |||
| 2 | F | 49.8 | Very low | 51.4 | Low | 139 Ų | 139 | 131.3 Ų | 131.3 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.9 | -176.9 | -64.4 | -70 | 0 | 0 | 0 | 108.9 | V23 P25 | F2-V23 HydrophobicContact CB-CG1 3.63Å; F2-V23 HydrophobicContact CD1-CB 4.41Å; F2-V23 HydrophobicContact CD1-CG1 2.98Å; F2-V23 HydrophobicContact CD2-CG1 3.93Å; F2-V23 HydrophobicContact CE1-CG1 3.46Å; F2-V23 VanDerWaalsContact CE1-CG1 3.46Å; F2-V23 HydrophobicContact CE2-CG1 4.34Å; F2-V23 HydrophobicContact CG-CG1 3.24Å; F2-V23 HydrophobicContact CZ-CG1 4.13Å; F2-P25 HydrophobicContact CD1-CB 4.35Å; F2-P25 VanDerWaalsContact CE1-CA 3.5Å; F2-P25 HydrophobicContact CE1-CB 3.82Å; F2-P25 HydrophobicContact CE1-CG 3.91Å |
| 3 | Y | 48 | Very low | 50.9 | Low | 72 Ų | 72 | 126.1 Ų | 126.1 | 28% | 0.282 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.3 | 175.5 | 57.1 | -57.5 | 0 | 0 | 0 | 108.3 | V5 V24 I26 | Y3-V5 HydrophobicContact CD2-CG2 4.12Å; Y3-V5 HydrophobicContact CE2-CG2 4.16Å; Y3-V24 WeakPolarHBondContact CD1-O 3.38Å; Y3-V24 HydrophobicContact CE1-CB 3.78Å; Y3-V24 HydrophobicContact CE1-CG1 3.95Å; Y3-V24 WeakPolarHBondContact CE1-O 3.45Å; Y3-I26 HydrophobicContact CD1-CB 4.39Å; Y3-I26 HydrophobicContact CD1-CD1 2.99Å; Y3-I26 HydrophobicContact CD1-CG1 3.1Å; Y3-I26 HydrophobicContact CD2-CD1 4.47Å; Y3-I26 HydrophobicContact CE1-CD1 3.65Å; Y3-I26 HydrophobicContact CE1-CG1 3.22Å; Y3-I26 HydrophobicContact CG-CD1 3.44Å; Y3-I26 VanDerWaalsContact CG-CD1 3.44Å; Y3-I26 HydrophobicContact CG-CG1 4.05Å |
| 4 | Q | 51.5 | Low | 50.1 | Low | 159 Ų | 159 | 125.5 Ų | 125.5 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.2 | -179.9 | -163 | 175.7 | -2.8 | 0 | 0 | 108.3 | N21 | Q4-N21 PolarHBondContact NE2-ND2 2.73Å |
| 5 | V | 54 | Low | 49.5 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 39% | 0.394 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -89.4 | 132.1 | 173.9 | -168.5 | 0 | 0 | 0 | 0 | 108.2 | Y3 P7 | Y3-V5 HydrophobicContact CD2-CG2 4.12Å; Y3-V5 HydrophobicContact CE2-CG2 4.16Å; V5-P7 WeakPolarHBondContact O-CD 3.41Å |
| 6 | R | 59.8 | Low | 48.9 | Very low | 233 Ų | 233 | 124 Ų | 124 | 88% | 0.879 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.9 | 175.8 | -86.3 | -179.6 | 154.7 | -152.7 | -4.5 | 109.8 | Y8 | R6-Y8 PolarHBondContact O-N 3.2Š|
| 7 | P | 53.9 | Low | 48.4 | Very low | 34 Ų | 34 | 122.6 Ų | 122.6 | 22% | 0.221 | 68% | 0.679 | C | S | . | * | P | Polyproline II helix | trans | -49.6 | 133.9 | 169.8 | -34.8 | 41.7 | 0 | 0 | 0 | 113.2 | V5 Y9 Q19 | V5-P7 WeakPolarHBondContact O-CD 3.41Å; P7-Y9 HydrophobicContact CB-CD2 4.38Å; P7-Y9 HydrophobicContact CB-CE1 4.19Å; P7-Y9 HydrophobicContact CB-CE2 3.77Å; P7-Y9 PolarHBondContact O-N 3.29Å; P7-Q19 VanDerWaalsContact CB-CD 3.5Å; P7-Q19 VanDerWaalsContact CB-OE1 3.31Å; P7-Q19 HydrophobicContact CG-CB 4.49Å |
| 8 | Y | 52.4 | Low | 48.1 | Very low | 202 Ų | 202 | 121.4 Ų | 121.4 | 79% | 0.792 | 69% | 0.688 | S | S | * | * | trans | -84.5 | 103.9 | 168.9 | -153.9 | -87 | 0 | 0 | 0 | 107.8 | R6 | R6-Y8 PolarHBondContact O-N 3.2Š| ||
| 9 | Y | 54.6 | Low | 47.9 | Very low | 166 Ų | 166 | 118.9 Ų | 118.9 | 65% | 0.651 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 126.6 | 170.8 | -59 | -75.3 | 0 | 0 | 0 | 108.4 | P7 A11 | P7-Y9 HydrophobicContact CB-CD2 4.38Å; P7-Y9 HydrophobicContact CB-CE1 4.19Å; P7-Y9 HydrophobicContact CB-CE2 3.77Å; P7-Y9 PolarHBondContact O-N 3.29Å; Y9-A11 PolarHBondContact O-N 3.03Å |
| 10 | P | 47.1 | Very low | 47.8 | Very low | 108 Ų | 108 | 117.4 Ų | 117.4 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.4 | 166.4 | 25.4 | -30.4 | 0 | 0 | 0 | 108.1 | S12 | P10-S12 PolarHBondContact O-N 2.85Š|
| 11 | A | 48.8 | Very low | 48 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 84% | 0.843 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -60 | 124.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y9 | Y9-A11 PolarHBondContact O-N 3.03Š|
| 12 | S | 46.2 | Very low | 48 | Very low | 123 Ų | 123 | 116 Ų | 116 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 83 | 99.5 | 173.6 | -150.7 | 0 | 0 | 0 | 0 | 116.4 | P10 | P10-S12 PolarHBondContact O-N 2.85Š|
| 13 | G | 45.7 | Very low | 48.1 | Very low | 63 Ų | 63 | 113.1 Ų | 113.1 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | trans | 90 | 127.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 14 | S | 39.1 | Very low | 48.5 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 83% | 0.825 | 64% | 0.643 | S | S | * | * | trans | 100 | 108.7 | 157.3 | -34.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 15 | V | 40.6 | Very low | 48.8 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 71% | 0.709 | 63% | 0.625 | S | S | * | * | trans | 73.7 | 105.7 | 160.4 | -156.5 | 0 | 0 | 0 | 0 | 116 | T17 | V15-T17 HydrophobicContact CB-CG2 4.2Å; V15-T17 HydrophobicContact CG1-CG2 3.51Å; V15-T17 PolarHBondContact O-N 3.11Å | ||
| 16 | A | 41.3 | Very low | 49 | Very low | 110 Ų | 110 | 105.8 Ų | 105.8 | 91% | 0.909 | 61% | 0.614 | S | S | * | * | trans | -60.5 | 71.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 17 | T | 39.9 | Very low | 48.8 | Very low | 101 Ų | 101 | 98.8 Ų | 98.8 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | trans | -78.8 | 117.8 | 155.5 | 56.6 | 0 | 0 | 0 | 0 | 104.3 | V15 Q19 | V15-T17 HydrophobicContact CB-CG2 4.2Å; V15-T17 HydrophobicContact CG1-CG2 3.51Å; V15-T17 PolarHBondContact O-N 3.11Å; T17-Q19 VanDerWaalsContact C-N 3.3Å; T17-Q19 PolarHBondContact O-N 3.41Å | ||
| 18 | A | 43.6 | Very low | 49.1 | Very low | 101 Ų | 101 | 99.9 Ų | 99.9 | 84% | 0.835 | 60% | 0.6 | S | S | * | * | trans | -55.1 | 101.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107 | P20 | A18-P20 WeakPolarHBondContact O-CD 3.29Š| ||
| 19 | Q | 43.6 | Very low | 49.5 | Very low | 73 Ų | 73 | 93.8 Ų | 93.8 | 34% | 0.341 | 58% | 0.584 | S | S | . | * | trans | -63.9 | 124.9 | -179.3 | -171.6 | -175.3 | -61 | 0 | 0 | 106.4 | P7 T17 N21 | P7-Q19 VanDerWaalsContact CB-CD 3.5Å; P7-Q19 VanDerWaalsContact CB-OE1 3.31Å; P7-Q19 HydrophobicContact CG-CB 4.49Å; T17-Q19 VanDerWaalsContact C-N 3.3Å; T17-Q19 PolarHBondContact O-N 3.41Å; Q19-N21 PolarHBondContact O-N 3.3Å; Q19-N21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | P | 45.9 | Very low | 50.2 | Low | 88 Ų | 88 | 88.4 Ų | 88.4 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | trans | -59.7 | 124.6 | 177.8 | 23.3 | -31.2 | 0 | 0 | 0 | 107.6 | A18 Y22 | A18-P20 WeakPolarHBondContact O-CD 3.29Å; P20-Y22 HydrophobicContact CG-CE2 4.24Å; P20-Y22 PolarHBondContact O-N 3.49Å | ||
| 21 | N | 52 | Low | 51.3 | Low | 92 Ų | 92 | 86.3 Ų | 86.3 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | trans | -55.6 | 104.8 | 169.3 | -89.8 | 26 | 0 | 0 | 0 | 107 | Q4 Q19 V23 | Q4-N21 PolarHBondContact NE2-ND2 2.73Å; Q19-N21 PolarHBondContact O-N 3.3Å; Q19-N21 VanDerWaalsContact O-N 3.11Å; N21-V23 HydrophobicContact CB-CG2 4.46Å; N21-V23 PolarHBondContact O-N 3.48Å | ||
| 22 | Y | 49.4 | Very low | 52.8 | Low | 171 Ų | 171 | 87.1 Ų | 87.1 | 67% | 0.671 | 54% | 0.544 | S | S | * | . | trans | -70.9 | 104.9 | 172.3 | -96.7 | -89 | 0 | 0 | 0 | 107.5 | P20 | P20-Y22 HydrophobicContact CG-CE2 4.24Å; P20-Y22 PolarHBondContact O-N 3.49Å | ||
| 23 | V | 52.9 | Low | 54.6 | Low | 77 Ų | 77 | 84.7 Ų | 84.7 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 99.3 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 106.9 | F2 N21 | F2-V23 HydrophobicContact CB-CG1 3.63Å; F2-V23 HydrophobicContact CD1-CB 4.41Å; F2-V23 HydrophobicContact CD1-CG1 2.98Å; F2-V23 HydrophobicContact CD2-CG1 3.93Å; F2-V23 HydrophobicContact CE1-CG1 3.46Å; F2-V23 VanDerWaalsContact CE1-CG1 3.46Å; F2-V23 HydrophobicContact CE2-CG1 4.34Å; F2-V23 HydrophobicContact CG-CG1 3.24Å; F2-V23 HydrophobicContact CZ-CG1 4.13Å; N21-V23 HydrophobicContact CB-CG2 4.46Å; N21-V23 PolarHBondContact O-N 3.48Å |
| 24 | V | 56.9 | Low | 56.4 | Low | 56 Ų | 56 | 85.1 Ų | 85.1 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.4 | 172.6 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | Y3 I26 | Y3-V24 WeakPolarHBondContact CD1-O 3.38Å; Y3-V24 HydrophobicContact CE1-CB 3.78Å; Y3-V24 HydrophobicContact CE1-CG1 3.95Å; Y3-V24 WeakPolarHBondContact CE1-O 3.45Å; V24-I26 PolarHBondContact O-N 3.16Å; V24-I26 VanDerWaalsContact O-N 3.16Å |
| 25 | P | 56.4 | Low | 58.7 | Low | 54 Ų | 54 | 85.1 Ų | 85.1 | 35% | 0.351 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 117.5 | 174.4 | -18.4 | 28 | 0 | 0 | 0 | 111.6 | F2 T28 | F2-P25 HydrophobicContact CD1-CB 4.35Å; F2-P25 VanDerWaalsContact CE1-CA 3.5Å; F2-P25 HydrophobicContact CE1-CB 3.82Å; F2-P25 HydrophobicContact CE1-CG 3.91Å; P25-T28 HydrophobicContact CB-CG2 3.36Å; P25-T28 HydrophobicContact CG-CG2 4.02Å |
| 26 | I | 58.2 | Low | 60.6 | Low | 33 Ų | 33 | 81.6 Ų | 81.6 | 17% | 0.169 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 132.2 | 162.6 | -74.6 | 161.6 | 0 | 0 | 0 | 107.6 | M1 Y3 V24 S50 | M1-I26 PolarHBondContact N-O 2.78Å; M1-I26 WeakPolarHBondContact O-CA 3.48Å; M1-I26 VanDerWaalsContact O-CB 3.29Å; M1-I26 WeakPolarHBondContact O-CB 3.37Å; M1-I26 PolarHBondContact O-N 2.87Å; Y3-I26 HydrophobicContact CD1-CB 4.39Å; Y3-I26 HydrophobicContact CD1-CD1 2.99Å; Y3-I26 HydrophobicContact CD1-CG1 3.1Å; Y3-I26 HydrophobicContact CD2-CD1 4.47Å; Y3-I26 HydrophobicContact CE1-CD1 3.65Å; Y3-I26 HydrophobicContact CE1-CG1 3.22Å; Y3-I26 HydrophobicContact CG-CD1 3.44Å; Y3-I26 VanDerWaalsContact CG-CD1 3.44Å; Y3-I26 HydrophobicContact CG-CG1 4.05Å; V24-I26 PolarHBondContact O-N 3.16Å; V24-I26 VanDerWaalsContact O-N 3.16Å; I26-S50 WeakPolarHBondContact CD1-OG 3.48Å |
| 27 | N | 56.8 | Low | 62.4 | Low | 86 Ų | 86 | 81 Ų | 81 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 28.1 | 178.5 | -41.4 | -41.1 | 0 | 0 | 0 | 115.2 | T29 | N27-T29 PolarHBondContact O-N 3.17Š|
| 28 | T | 58.8 | Low | 64.8 | Low | 56 Ų | 56 | 80.5 Ų | 80.5 | 34% | 0.344 | 49% | 0.488 | S | S | . | . | trans | -70.9 | 104.2 | 162.2 | 44.2 | 0 | 0 | 0 | 0 | 108.5 | P25 S30 | P25-T28 HydrophobicContact CB-CG2 3.36Å; P25-T28 HydrophobicContact CG-CG2 4.02Å; T28-S30 VanDerWaalsContact C-N 3.32Å; T28-S30 PolarHBondContact O-N 3.19Å; T28-S30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | T | 61.1 | Low | 66.8 | Low | 74 Ų | 74 | 78.3 Ų | 78.3 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 94.7 | 163.3 | -33.9 | 0 | 0 | 0 | 0 | 106.5 | N27 A31 Q45 | N27-T29 PolarHBondContact O-N 3.17Å; T29-A31 PolarHBondContact O-N 3.06Å; T29-Q45 HydrophobicContact CG2-CB 4.13Å; T29-Q45 HydrophobicContact CG2-CG 4.24Å |
| 30 | S | 69.3 | Low | 68.6 | Low | 54 Ų | 54 | 79.4 Ų | 79.4 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 109.7 | 169.5 | -71.4 | 0 | 0 | 0 | 0 | 106.9 | T28 Q46 | T28-S30 VanDerWaalsContact C-N 3.32Å; T28-S30 PolarHBondContact O-N 3.19Å; T28-S30 VanDerWaalsContact O-N 3.09Å; S30-Q46 PolarHBondContact N-O 3.07Å; S30-Q46 PolarHBondContact O-N 2.82Å |
| 31 | A | 71.4 | Confident | 70.5 | Confident | 63 Ų | 63 | 80 Ų | 80 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | T29 H44 Q45 | T29-A31 PolarHBondContact O-N 3.06Å; A31-H44 CarbonylContact C-O 3.59Å; A31-H44 VanDerWaalsContact CA-O 3.22Å; A31-H44 WeakPolarHBondContact CA-O 3.34Å; A31-Q45 HydrophobicContact CB-CG 4.04Å |
| 32 | W | 79.2 | Confident | 72 | Confident | 120 Ų | 120 | 80.1 Ų | 80.1 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 148.2 | 169.9 | 65.4 | 91.9 | 0 | 0 | 0 | 109.9 | H44 Q46 | W32-H44 HydrophobicContact CD2-CB 4.17Å; W32-H44 HydrophobicContact CZ2-CB 3.86Å; W32-H44 PolarHBondContact N-O 3.09Å; W32-H44 PolarHBondContact O-N 2.95Å; W32-Q46 HydrophobicContact CH2-CB 4.02Å; W32-Q46 HydrophobicContact CZ3-CB 3.77Å |
| 33 | S | 83.8 | Confident | 73.5 | Confident | 72 Ų | 72 | 78.2 Ų | 78.2 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.9 | 174.4 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | N41 M42 | S33-N41 WeakPolarHBondContact CB-OD1 3.23Å; S33-M42 WeakPolarHBondContact CA-O 3.44Å |
| 34 | V | 84.7 | Confident | 74.8 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.7 | 167.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | M42 | V34-M42 PolarHBondContact N-O 2.81Å; V34-M42 PolarHBondContact O-N 2.89Å |
| 35 | I | 86.7 | Confident | 75.7 | Confident | 118 Ų | 118 | 83.1 Ų | 83.1 | 61% | 0.605 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121.2 | 168.4 | -57 | -179.1 | 0 | 0 | 0 | 106.8 | N40 | I35-N40 WeakPolarHBondContact CA-O 3.41Å |
| 36 | D | 80.1 | Confident | 76.2 | Confident | 44 Ų | 44 | 85.2 Ų | 85.2 | 24% | 0.235 | 50% | 0.498 | C | S | . | . | trans | -78 | 168.8 | 175.2 | 70.2 | 23.3 | 0 | 0 | 0 | 112.1 | S38 G39 N40 M42 | D36-S38 PolarHBondContact O-N 3Å; D36-S38 VanDerWaalsContact O-N 3.07Å; D36-S38 WeakPolarHBondContact OD1-CA 3.22Å; D36-S38 WeakPolarHBondContact OD1-CB 3.05Å; D36-S38 PolarHBondContact OD1-N 3.43Å; D36-S38 PolarHBondContact OD1-OG 2.94Å; D36-S38 PolarHBondContact OD2-OG 3.3Å; D36-G39 PolarHBondContact O-N 2.99Å; D36-G39 PolarHBondContact OD1-N 3.26Å; D36-G39 VanDerWaalsContact OD1-N 3.08Å; D36-N40 PolarHBondContact N-O 3.45Å; D36-N40 PolarHBondContact OD1-N 2.91Å; D36-M42 HydrophobicContact CB-CE 4.18Å | ||
| 37 | G | 80.2 | Confident | 76.7 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 99% | 0.99 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -11 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 38 | S | 90.4 | Very high | 76.9 | Confident | 91 Ų | 91 | 91 Ų | 91 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.3 | 172.2 | 32.5 | 0 | 0 | 0 | 0 | 113.3 | D36 N40 | D36-S38 PolarHBondContact O-N 3Å; D36-S38 VanDerWaalsContact O-N 3.07Å; D36-S38 WeakPolarHBondContact OD1-CA 3.22Å; D36-S38 WeakPolarHBondContact OD1-CB 3.05Å; D36-S38 PolarHBondContact OD1-N 3.43Å; D36-S38 PolarHBondContact OD1-OG 2.94Å; D36-S38 PolarHBondContact OD2-OG 3.3Å; S38-N40 PolarHBondContact OG-ND2 2.84Å |
| 39 | G | 85 | Confident | 77.1 | Confident | 55 Ų | 55 | 92.2 Ų | 92.2 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 85.3 | 5.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D36 | D36-G39 PolarHBondContact O-N 2.99Å; D36-G39 PolarHBondContact OD1-N 3.26Å; D36-G39 VanDerWaalsContact OD1-N 3.08Å |
| 40 | N | 80.5 | Confident | 77 | Confident | 96 Ų | 96 | 91 Ų | 91 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | trans | -82.3 | 137.8 | 178.4 | -60.4 | -52.2 | 0 | 0 | 0 | 110.6 | I35 D36 S38 | I35-N40 WeakPolarHBondContact CA-O 3.41Å; D36-N40 PolarHBondContact N-O 3.45Å; D36-N40 PolarHBondContact OD1-N 2.91Å; S38-N40 PolarHBondContact OG-ND2 2.84Å | ||
| 41 | N | 86.4 | Confident | 76.3 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 110.3 | 177.8 | -170.8 | -36.3 | 0 | 0 | 0 | 110.3 | S33 | S33-N41 WeakPolarHBondContact CB-OD1 3.23Å |
| 42 | M | 83.5 | Confident | 75.4 | Confident | 95 Ų | 95 | 95.8 Ų | 95.8 | 47% | 0.468 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.8 | 172.1 | -71.6 | -165.1 | -76.8 | 0 | 0 | 110.4 | S33 V34 D36 | S33-M42 WeakPolarHBondContact CA-O 3.44Å; V34-M42 PolarHBondContact N-O 2.81Å; V34-M42 PolarHBondContact O-N 2.89Å; D36-M42 HydrophobicContact CB-CE 4.18Å |
| 43 | M | 81.4 | Confident | 74.2 | Confident | 130 Ų | 130 | 95.6 Ų | 95.6 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.9 | 125 | 177 | -157.1 | -157.6 | -56.4 | 0 | 0 | 110.5 | ||
| 44 | H | 80.3 | Confident | 72.7 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.6 | 172.6 | -91.7 | 68.7 | 0 | 0 | 0 | 110.3 | A31 W32 | A31-H44 CarbonylContact C-O 3.59Å; A31-H44 VanDerWaalsContact CA-O 3.22Å; A31-H44 WeakPolarHBondContact CA-O 3.34Å; W32-H44 HydrophobicContact CD2-CB 4.17Å; W32-H44 HydrophobicContact CZ2-CB 3.86Å; W32-H44 PolarHBondContact N-O 3.09Å; W32-H44 PolarHBondContact O-N 2.95Å |
| 45 | Q | 75.5 | Confident | 70.6 | Confident | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.3 | 173.3 | -70.5 | -178.4 | 36.2 | 0 | 0 | 109.5 | T29 A31 | T29-Q45 HydrophobicContact CG2-CB 4.13Å; T29-Q45 HydrophobicContact CG2-CG 4.24Å; A31-Q45 HydrophobicContact CB-CG 4.04Å |
| 46 | Q | 67.7 | Low | 69.8 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 45% | 0.453 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.9 | 170.5 | -173.8 | 179.4 | 26.5 | 0 | 0 | 109.3 | S30 W32 I48 | S30-Q46 PolarHBondContact N-O 3.07Å; S30-Q46 PolarHBondContact O-N 2.82Å; W32-Q46 HydrophobicContact CH2-CB 4.02Å; W32-Q46 HydrophobicContact CZ3-CB 3.77Å; Q46-I48 HydrophobicContact CG-CG1 4.19Å |
| 47 | K | 68.2 | Low | 69.2 | Low | 169 Ų | 169 | 109.8 Ų | 109.8 | 74% | 0.735 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 115.9 | 161.6 | -100.5 | -162.8 | 177.5 | -173.8 | 0 | 108.8 | S49 | K47-S49 PolarHBondContact O-N 3.49Å |
| 48 | I | 60.9 | Low | 68.6 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 37% | 0.374 | 59% | 0.587 | S | S | . | * | trans | -86.6 | 105.1 | 166.5 | -55.1 | 179.7 | 0 | 0 | 0 | 106.9 | Q46 | Q46-I48 HydrophobicContact CG-CG1 4.19Š| ||
| 49 | S | 62.7 | Low | 67.3 | Low | 81 Ų | 81 | 111.8 Ų | 111.8 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | trans | -82.4 | 132 | 164.6 | 48.3 | 0 | 0 | 0 | 0 | 108.1 | K47 L51 | K47-S49 PolarHBondContact O-N 3.49Å; S49-L51 PolarHBondContact O-N 2.9Å | ||
| 50 | S | 58.4 | Low | 66.2 | Low | 48 Ų | 48 | 115.3 Ų | 115.3 | 34% | 0.336 | 59% | 0.586 | S | S | . | * | trans | -71.7 | 73.7 | 167.2 | 63.4 | 0 | 0 | 0 | 0 | 108.7 | I26 N52 | I26-S50 WeakPolarHBondContact CD1-OG 3.48Å; S50-N52 PolarHBondContact O-N 3.08Å | ||
| 51 | L | 55.9 | Low | 65.3 | Low | 147 Ų | 147 | 116.6 Ų | 116.6 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | trans | -67.1 | 99.3 | 154 | -91.3 | 131.9 | 0 | 0 | 0 | 104.6 | S49 P53 | S49-L51 PolarHBondContact O-N 2.9Å; L51-P53 VanDerWaalsContact O-CD 3.23Å; L51-P53 WeakPolarHBondContact O-CD 3.35Å | ||
| 52 | N | 51.6 | Low | 63.8 | Low | 71 Ų | 71 | 117.7 Ų | 117.7 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | trans | -50.2 | 115.3 | 169.4 | 179.4 | 3 | 0 | 0 | 0 | 106.9 | S50 F54 H55 | S50-N52 PolarHBondContact O-N 3.08Å; N52-F54 PolarHBondContact O-N 2.99Å; N52-F54 WeakPolarHBondContact OD1-CB 3.39Å; N52-F54 WeakPolarHBondContact OD1-CD2 3.41Å; N52-F54 PolarHBondContact OD1-N 2.61Å; N52-F54 VanDerWaalsContact OD1-N 3.17Å; N52-H55 PolarHBondContact ND2-CD2 2.91Å; N52-H55 PolarHBondContact O-N 3.21Å | ||
| 53 | P | 55.1 | Low | 62.3 | Low | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 3.3 | -178.2 | 27.7 | -33.7 | 0 | 0 | 0 | 113.1 | L51 | L51-P53 VanDerWaalsContact O-CD 3.23Å; L51-P53 WeakPolarHBondContact O-CD 3.35Å |
| 54 | F | 52 | Low | 60.7 | Low | 160 Ų | 160 | 118.6 Ų | 118.6 | 70% | 0.702 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 17.1 | -179.1 | -59.3 | -71.1 | 0 | 0 | 0 | 114.8 | N52 | N52-F54 PolarHBondContact O-N 2.99Å; N52-F54 WeakPolarHBondContact OD1-CB 3.39Å; N52-F54 WeakPolarHBondContact OD1-CD2 3.41Å; N52-F54 PolarHBondContact OD1-N 2.61Å; N52-F54 VanDerWaalsContact OD1-N 3.17Å |
| 55 | H | 39.5 | Very low | 58.9 | Low | 224 Ų | 224 | 119.9 Ų | 119.9 | 100% | 1.037 | 61% | 0.612 | S | S | * | * | trans | -130.6 | 0 | 170.1 | -72.6 | -62.2 | 0 | 0 | 0 | 112.4 | N52 | N52-H55 PolarHBondContact ND2-CD2 2.91Å; N52-H55 PolarHBondContact O-N 3.21Å |
Retrieved 55 of 55 residues in 60.1 ms
(Link to these results)