| 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 | 38.7 | Very low | 42.5 | Very low | 239 Ų | 239 | 132.1 Ų | 132.1 | 100% | 1.177 | 83% | 0.826 | S | S | * | * | 0 | 87.3 | 0 | -59.9 | 168.6 | 106.5 | 0 | 0 | 105.5 | |||||
| 2 | S | 38.8 | Very low | 43.4 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | 65.2 | 124.7 | 102.8 | -140.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 3 | S | 41 | Very low | 43.9 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | cis | -171.7 | 151.9 | 6.7 | 30.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | N | 42.9 | Very low | 44.1 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -67.5 | 139.4 | 171.6 | -62.5 | -40.5 | 0 | 0 | 0 | 111.4 | ||||
| 5 | G | 35.9 | Very low | 44 | Very low | 82 Ų | 82 | 133 Ų | 133 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -95.2 | 94.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | T | 41.3 | Very low | 43.8 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -106.9 | 122.9 | 164.6 | -57.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 7 | T | 41.6 | Very low | 44.2 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -151.5 | 85 | 171.8 | -30 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | S | 40.9 | Very low | 44.7 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | 74.6 | 110.8 | 94.7 | 75.7 | 0 | 0 | 0 | 0 | 113.6 | G10 | S8-G10 PolarHBondContact O-N 3.32Š| |||
| 9 | I | 49.8 | Very low | 45.3 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -40.8 | 102.6 | 158.8 | 40.1 | 167.2 | 0 | 0 | 0 | 111.3 | L11 | I9-L11 PolarHBondContact O-N 3.1Š| ||
| 10 | G | 40.2 | Very low | 45.4 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -88.6 | 88.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | S8 N12 | S8-G10 PolarHBondContact O-N 3.32Å; G10-N12 VanDerWaalsContact C-N 3.34Å; G10-N12 PolarHBondContact O-N 3.32Å; G10-N12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | L | 56.1 | Low | 45.9 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 90 | 159 | -69.6 | 172 | 0 | 0 | 0 | 108 | I9 | I9-L11 PolarHBondContact O-N 3.1Š| ||
| 12 | N | 54.1 | Low | 46.1 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -122.6 | 82.1 | 170.4 | -102.5 | 43.8 | 0 | 0 | 0 | 109.6 | G10 | G10-N12 VanDerWaalsContact C-N 3.34Å; G10-N12 PolarHBondContact O-N 3.32Å; G10-N12 VanDerWaalsContact O-N 3.16Å | ||
| 13 | C | 49 | Very low | 46.8 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -163.2 | 140.8 | 137.9 | -98.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 14 | P | 47 | Very low | 47.2 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -117.1 | 58.1 | -152.6 | 34.8 | -14.1 | 0 | 0 | 0 | 110.1 | ||||
| 15 | I | 43.4 | Very low | 47.3 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | trans | -95.2 | 127.1 | 168.1 | -57.7 | 172.4 | 0 | 0 | 0 | 104.5 | S17 | I15-S17 PolarHBondContact O-N 3.1Š| ||
| 16 | P | 40.7 | Very low | 47.7 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | trans | -61 | 90.9 | 159.8 | 25.6 | -29 | 0 | 0 | 0 | 106.1 | R18 | P16-R18 PolarHBondContact O-N 3.13Š| ||
| 17 | S | 50.6 | Low | 48.1 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -65.8 | 82.2 | 162.7 | 171.4 | 0 | 0 | 0 | 0 | 104.7 | I15 F19 | I15-S17 PolarHBondContact O-N 3.1Å; S17-F19 PolarHBondContact O-N 2.86Å | ||
| 18 | R | 53 | Low | 48.5 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | trans | -65.1 | 90.8 | 152.3 | -179 | -178.5 | -87.8 | -106.1 | -2.8 | 103.7 | P16 E20 | P16-R18 PolarHBondContact O-N 3.13Å; R18-E20 HydrophobicContact CG-CB 4.04Å; R18-E20 IonicContact CZ-OE1 3.81Å; R18-E20 IonicContact NH1-OE1 2.8Å; R18-E20 PolarHBondContact NH1-OE1 3.32Å; R18-E20 PolarHBondContact O-N 3.49Å | ||
| 19 | F | 56.3 | Low | 49.1 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | -62.6 | 86.4 | 153.3 | -176.7 | -104 | 0 | 0 | 0 | 105 | S17 Q21 | S17-F19 PolarHBondContact O-N 2.86Å; F19-Q21 HydrophobicContact CD1-CB 3.85Å; F19-Q21 HydrophobicContact CD1-CG 4.47Å; F19-Q21 HydrophobicContact CE1-CB 3.58Å; F19-Q21 HydrophobicContact CE1-CG 3.71Å; F19-Q21 HydrophobicContact CZ-CG 4.45Å; F19-Q21 PolarHBondContact O-N 2.52Å | ||
| 20 | E | 46.1 | Very low | 49.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 54% | 0.542 | 70% | 0.695 | S | S | . | * | trans | -72.2 | 84.1 | 168.7 | -162.6 | 126.4 | -119.9 | 0 | 0 | 104.7 | R18 S22 | R18-E20 HydrophobicContact CG-CB 4.04Å; R18-E20 IonicContact CZ-OE1 3.81Å; R18-E20 IonicContact NH1-OE1 2.8Å; R18-E20 PolarHBondContact NH1-OE1 3.32Å; R18-E20 PolarHBondContact O-N 3.49Å; E20-S22 WeakPolarHBondContact O-CA 3.49Å; E20-S22 PolarHBondContact O-N 3.34Å; E20-S22 PolarHBondContact O-OG 3.1Å | ||
| 21 | Q | 56.3 | Low | 51.3 | Low | 157 Ų | 157 | 129.6 Ų | 129.6 | 73% | 0.734 | 69% | 0.686 | S | S | * | * | trans | -58 | 93.9 | 160.2 | -158.4 | 171.2 | 23.4 | 0 | 0 | 104.3 | F19 K23 | F19-Q21 HydrophobicContact CD1-CB 3.85Å; F19-Q21 HydrophobicContact CD1-CG 4.47Å; F19-Q21 HydrophobicContact CE1-CB 3.58Å; F19-Q21 HydrophobicContact CE1-CG 3.71Å; F19-Q21 HydrophobicContact CZ-CG 4.45Å; F19-Q21 PolarHBondContact O-N 2.52Å; Q21-K23 PolarHBondContact O-N 2.8Å | ||
| 22 | S | 42.8 | Very low | 52.7 | Low | 55 Ų | 55 | 126.7 Ų | 126.7 | 39% | 0.385 | 67% | 0.665 | S | S | . | * | trans | -69.2 | 121.1 | -155.8 | -10.7 | 0 | 0 | 0 | 0 | 105.8 | E20 D24 W25 | E20-S22 WeakPolarHBondContact O-CA 3.49Å; E20-S22 PolarHBondContact O-N 3.34Å; E20-S22 PolarHBondContact O-OG 3.1Å; S22-D24 PolarHBondContact O-N 3.26Å; S22-W25 VanDerWaalsContact O-CD1 3.24Å; S22-W25 PolarHBondContact OG-NE1 3.12Å | ||
| 23 | K | 53.8 | Low | 54.5 | Low | 206 Ų | 206 | 122.1 Ų | 122.1 | 90% | 0.896 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -72.8 | 117 | -173 | -150.9 | 168.2 | -180 | -179.7 | 0 | 105.7 | Q21 | Q21-K23 PolarHBondContact O-N 2.8Š|
| 24 | D | 48.8 | Very low | 56.6 | Low | 139 Ų | 139 | 122.8 Ų | 122.8 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | trans | 78.1 | 68.7 | -171 | -74.5 | -37.7 | 0 | 0 | 0 | 118.2 | S22 S26 | S22-D24 PolarHBondContact O-N 3.26Å; D24-S26 PolarHBondContact OD1-OG 3.42Å | ||
| 25 | W | 45.1 | Very low | 58.8 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 53% | 0.534 | 61% | 0.613 | S | S | . | * | trans | -100.5 | 18.2 | 150.8 | -70.2 | 107.2 | 0 | 0 | 0 | 113.1 | S22 Q27 L28 A29 | S22-W25 VanDerWaalsContact O-CD1 3.24Å; S22-W25 PolarHBondContact OG-NE1 3.12Å; W25-Q27 PolarHBondContact O-N 2.9Å; W25-L28 HydrophobicContact CE3-CB 4.23Å; W25-L28 HydrophobicContact CE3-CD1 3.89Å; W25-L28 HydrophobicContact CZ3-CD1 3.82Å; W25-L28 PolarHBondContact O-N 3.22Å; W25-A29 HydrophobicContact CB-CB 4.19Å; W25-A29 WeakPolarHBondContact O-CB 3.28Å; W25-A29 PolarHBondContact O-N 3.33Å | ||
| 26 | S | 45.2 | Very low | 61.2 | Low | 66 Ų | 66 | 119.6 Ų | 119.6 | 46% | 0.462 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -0.5 | -165.1 | 38.8 | 0 | 0 | 0 | 0 | 115.7 | D24 | D24-S26 PolarHBondContact OD1-OG 3.42Š|
| 27 | Q | 48.5 | Very low | 63.7 | Low | 185 Ų | 185 | 117.2 Ų | 117.2 | 86% | 0.864 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -17.2 | 173.6 | -63.5 | -177.6 | -9.8 | 0 | 0 | 114.2 | W25 | W25-Q27 PolarHBondContact O-N 2.9Š|
| 28 | L | 51.3 | Low | 65.6 | Low | 112 Ų | 112 | 114.3 Ų | 114.3 | 59% | 0.586 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -31.6 | 176.3 | -91.6 | 157.9 | 0 | 0 | 0 | 112 | W25 | W25-L28 HydrophobicContact CE3-CB 4.23Å; W25-L28 HydrophobicContact CE3-CD1 3.89Å; W25-L28 HydrophobicContact CZ3-CD1 3.82Å; W25-L28 PolarHBondContact O-N 3.22Å |
| 29 | A | 53.9 | Low | 67.5 | Low | 56 Ų | 56 | 108.5 Ų | 108.5 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -78 | -23 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | W25 S31 Y32 | W25-A29 HydrophobicContact CB-CB 4.19Å; W25-A29 WeakPolarHBondContact O-CB 3.28Å; W25-A29 PolarHBondContact O-N 3.33Å; A29-S31 PolarHBondContact O-N 3.02Å; A29-S31 VanDerWaalsContact O-N 3.16Å; A29-Y32 PolarHBondContact O-N 3.5Å; A29-Y32 VanDerWaalsContact O-O 3.05Å |
| 30 | D | 60.8 | Low | 69.3 | Low | 141 Ų | 141 | 103.3 Ų | 103.3 | 75% | 0.754 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -64.9 | -24.2 | -175.8 | -78.2 | 0.7 | 0 | 0 | 0 | 113.2 | ||
| 31 | S | 73.6 | Confident | 71.6 | Confident | 76 Ų | 76 | 99.5 Ų | 99.5 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -101 | -11.1 | -174.7 | -63.2 | 0 | 0 | 0 | 0 | 114.3 | A29 S42 | A29-S31 PolarHBondContact O-N 3.02Å; A29-S31 VanDerWaalsContact O-N 3.16Å; S31-S42 WeakPolarHBondContact O-CB 3.41Å |
| 32 | Y | 87.4 | Confident | 73.5 | Confident | 101 Ų | 101 | 92.7 Ų | 92.7 | 40% | 0.396 | 52% | 0.523 | S | S | . | . | trans | -137.5 | 138.8 | -173.1 | -57 | -81.4 | 0 | 0 | 0 | 111.9 | A29 L40 Y52 | A29-Y32 PolarHBondContact O-N 3.5Å; A29-Y32 VanDerWaalsContact O-O 3.05Å; Y32-L40 HydrophobicContact CD1-CD2 4.46Å; Y32-Y52 HydrophobicContact CD1-CD2 4.05Å; Y32-Y52 AromaticContact CD1-CE2 3.52Å; Y32-Y52 HydrophobicContact CD1-CE2 3.52Å; Y32-Y52 HydrophobicContact CE1-CD2 4.17Å; Y32-Y52 HydrophobicContact CE1-CE1 4.32Å; Y32-Y52 AromaticContact CE1-CE2 3.42Å; Y32-Y52 HydrophobicContact CE1-CE2 3.42Å; Y32-Y52 VanDerWaalsContact CE1-CE2 3.42Å; Y32-Y52 AromaticContact CE1-CZ 3.51Å; Y32-Y52 WeakPolarHBondContact CE1-OH 3.43Å | ||
| 33 | S | 91.7 | Very high | 75.9 | Confident | 62 Ų | 62 | 94 Ų | 94 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 153.8 | 178 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | L40 F41 | S33-L40 WeakPolarHBondContact O-CA 3.49Å; S33-F41 PolarHBondContact N-O 2.98Å; S33-F41 WeakPolarHBondContact O-CD1 3.34Å; S33-F41 PolarHBondContact O-N 3.44Å |
| 34 | Q | 91.9 | Very high | 77.8 | Confident | 132 Ų | 132 | 86.7 Ų | 86.7 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137 | 178 | -163.4 | 178.3 | 39.6 | 0 | 0 | 110.9 | G38 T39 L40 | Q34-G38 PolarHBondContact NE2-O 3.39Å; Q34-T39 WeakPolarHBondContact CA-O 3.13Å; Q34-L40 HydrophobicContact CB-CD1 4.4Å |
| 35 | T | 93 | Very high | 80 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 31% | 0.313 | 51% | 0.513 | S | S | . | . | trans | -78.8 | 159.7 | 171.4 | 65.1 | 0 | 0 | 0 | 0 | 110.8 | G37 G38 T39 F41 | T35-G37 PolarHBondContact O-N 3.04Å; T35-G38 PolarHBondContact O-N 2.74Å; T35-T39 PolarHBondContact N-O 3.24Å; T35-T39 WeakPolarHBondContact OG1-CB 3.47Å; T35-T39 PolarHBondContact OG1-N 2.76Å; T35-F41 HydrophobicContact CG2-CD1 4.19Å; T35-F41 HydrophobicContact CG2-CE1 3.82Å | ||
| 36 | P | 95.1 | Very high | 82.4 | Confident | 148 Ų | 148 | 83.9 Ų | 83.9 | 96% | 0.961 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.1 | 172.8 | -28 | 36 | 0 | 0 | 0 | 114.4 | G38 | P36-G38 PolarHBondContact O-N 2.85Š|
| 37 | G | 93.4 | Very high | 84.7 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 75% | 0.753 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 1.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T35 | T35-G37 PolarHBondContact O-N 3.04Š|
| 38 | G | 89.8 | Confident | 86.9 | Confident | 38 Ų | 38 | 78.5 Ų | 78.5 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | trans | 88.6 | 1.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q34 T35 P36 L40 | Q34-G38 PolarHBondContact NE2-O 3.39Å; T35-G38 PolarHBondContact O-N 2.74Å; P36-G38 PolarHBondContact O-N 2.85Å; G38-L40 PolarHBondContact O-N 3Å | ||
| 39 | T | 92.6 | Very high | 89 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | trans | -72.3 | 126.5 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 111 | Q34 T35 I51 | Q34-T39 WeakPolarHBondContact CA-O 3.13Å; T35-T39 PolarHBondContact N-O 3.24Å; T35-T39 WeakPolarHBondContact OG1-CB 3.47Å; T35-T39 PolarHBondContact OG1-N 2.76Å; T39-I51 HydrophobicContact CG2-CG2 3.73Å | ||
| 40 | L | 94.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 81.2 Ų | 81.2 | 26% | 0.257 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 135.4 | 176.9 | -163.2 | 74.5 | 0 | 0 | 0 | 110.8 | Y32 S33 Q34 G38 Y52 L57 | Y32-L40 HydrophobicContact CD1-CD2 4.46Å; S33-L40 WeakPolarHBondContact O-CA 3.49Å; Q34-L40 HydrophobicContact CB-CD1 4.4Å; G38-L40 PolarHBondContact O-N 3Å; L40-Y52 HydrophobicContact CD2-CD2 4.32Å; L40-Y52 HydrophobicContact CG-CD2 4.36Å; L40-Y52 PolarHBondContact O-N 3.01Å; L40-L57 HydrophobicContact CD2-CD1 3.87Å |
| 41 | F | 94.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 79.6 Ų | 79.6 | 16% | 0.158 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 159.7 | 176.7 | 68.8 | -81.7 | 0 | 0 | 0 | 112.4 | S33 T35 I50 | S33-F41 PolarHBondContact N-O 2.98Å; S33-F41 WeakPolarHBondContact O-CD1 3.34Å; S33-F41 PolarHBondContact O-N 3.44Å; T35-F41 HydrophobicContact CG2-CD1 4.19Å; T35-F41 HydrophobicContact CG2-CE1 3.82Å; F41-I50 CarbonylContact C-O 3.58Å; F41-I50 WeakPolarHBondContact CA-O 3.46Å; F41-I50 WeakPolarHBondContact CB-O 3.38Å |
| 42 | S | 94.4 | Very high | 93.6 | Very high | 13 Ų | 13 | 78 Ų | 78 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 161.1 | 168.8 | 66.7 | 0 | 0 | 0 | 0 | 110.1 | S31 R49 I50 Y52 | S31-S42 WeakPolarHBondContact O-CB 3.41Å; S42-R49 CarbonylContact O-C 3.47Å; S42-R49 WeakPolarHBondContact O-CA 3.32Å; S42-I50 PolarHBondContact N-O 2.81Å; S42-I50 PolarHBondContact O-N 2.88Å; S42-Y52 WeakPolarHBondContact OG-CE2 3.5Å; S42-Y52 PolarHBondContact OG-OH 3.2Å |
| 43 | T | 94.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.7 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 108.2 | T48 | T43-T48 WeakPolarHBondContact CA-O 3.37Å |
| 44 | T | 93.5 | Very high | 93.9 | Very high | 52 Ų | 52 | 84.6 Ų | 84.6 | 32% | 0.319 | 50% | 0.501 | S | S | . | . | trans | -73.4 | 158.3 | 172.8 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | G46 G47 T48 I50 | T44-G46 PolarHBondContact O-N 2.77Å; T44-G47 PolarHBondContact O-N 2.88Å; T44-T48 PolarHBondContact N-O 2.68Å; T44-I50 HydrophobicContact CG2-CD1 3.78Å | ||
| 45 | P | 94.8 | Very high | 94 | Very high | 149 Ų | 149 | 86.8 Ų | 86.8 | 97% | 0.968 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -24.2 | 177.4 | -29.5 | 36.3 | 0 | 0 | 0 | 114.9 | G47 | P45-G47 PolarHBondContact O-N 2.79Š|
| 46 | G | 95.2 | Very high | 94.1 | Very high | 72 Ų | 72 | 89.8 Ų | 89.8 | 74% | 0.742 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 2 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | T44 | T44-G46 PolarHBondContact O-N 2.77Š|
| 47 | G | 93.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 86.1 Ų | 86.1 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | trans | 86.3 | -0.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T44 P45 R49 | T44-G47 PolarHBondContact O-N 2.88Å; P45-G47 PolarHBondContact O-N 2.79Å; G47-R49 PolarHBondContact O-N 3.22Å | ||
| 48 | T | 95.9 | Very high | 93.9 | Very high | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 124.4 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | T43 T44 | T43-T48 WeakPolarHBondContact CA-O 3.37Å; T44-T48 PolarHBondContact N-O 2.68Å |
| 49 | R | 93.9 | Very high | 94.2 | Very high | 159 Ų | 159 | 90.6 Ų | 90.6 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.3 | 174.5 | -63.7 | 178.8 | 69.1 | -174.8 | 2.2 | 110 | S42 G47 | S42-R49 CarbonylContact O-C 3.47Å; S42-R49 WeakPolarHBondContact O-CA 3.32Å; G47-R49 PolarHBondContact O-N 3.22Å |
| 50 | I | 95.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 89.9 Ų | 89.9 | 33% | 0.333 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120 | 174.3 | -54.8 | 167.8 | 0 | 0 | 0 | 107 | F41 S42 T44 Y52 | F41-I50 CarbonylContact C-O 3.58Å; F41-I50 WeakPolarHBondContact CA-O 3.46Å; F41-I50 WeakPolarHBondContact CB-O 3.38Å; S42-I50 PolarHBondContact N-O 2.81Å; S42-I50 PolarHBondContact O-N 2.88Å; T44-I50 HydrophobicContact CG2-CD1 3.78Å; I50-Y52 HydrophobicContact CB-CE2 4.21Å; I50-Y52 HydrophobicContact CG2-CD1 4.25Å; I50-Y52 HydrophobicContact CG2-CE1 3.64Å; I50-Y52 HydrophobicContact CG2-CE2 3.97Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å |
| 51 | I | 95.2 | Very high | 94.1 | Very high | 108 Ų | 108 | 95.6 Ų | 95.6 | 55% | 0.554 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.5 | 175.2 | -58.2 | 178.8 | 0 | 0 | 0 | 107.9 | T39 | T39-I51 HydrophobicContact CG2-CG2 3.73Å |
| 52 | Y | 94.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 98.6 Ų | 98.6 | 16% | 0.161 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.6 | -178.5 | -59.6 | -81.8 | 0 | 0 | 0 | 111.1 | Y32 L40 S42 I50 L57 | Y32-Y52 HydrophobicContact CD1-CD2 4.05Å; Y32-Y52 AromaticContact CD1-CE2 3.52Å; Y32-Y52 HydrophobicContact CD1-CE2 3.52Å; Y32-Y52 HydrophobicContact CE1-CD2 4.17Å; Y32-Y52 HydrophobicContact CE1-CE1 4.32Å; Y32-Y52 AromaticContact CE1-CE2 3.42Å; Y32-Y52 HydrophobicContact CE1-CE2 3.42Å; Y32-Y52 VanDerWaalsContact CE1-CE2 3.42Å; Y32-Y52 AromaticContact CE1-CZ 3.51Å; Y32-Y52 WeakPolarHBondContact CE1-OH 3.43Å; L40-Y52 HydrophobicContact CD2-CD2 4.32Å; L40-Y52 HydrophobicContact CG-CD2 4.36Å; L40-Y52 PolarHBondContact O-N 3.01Å; S42-Y52 WeakPolarHBondContact OG-CE2 3.5Å; S42-Y52 PolarHBondContact OG-OH 3.2Å; I50-Y52 HydrophobicContact CB-CE2 4.21Å; I50-Y52 HydrophobicContact CG2-CD1 4.25Å; I50-Y52 HydrophobicContact CG2-CE1 3.64Å; I50-Y52 HydrophobicContact CG2-CE2 3.97Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.47Å; Y52-L57 HydrophobicContact CD1-CD2 3.97Å; Y52-L57 HydrophobicContact CG-CD2 4.24Å |
| 53 | D | 95 | Very high | 94.1 | Very high | 111 Ų | 111 | 100.2 Ų | 100.2 | 59% | 0.594 | 53% | 0.526 | S | S | * | . | trans | -74.7 | 136.8 | 172.4 | -77.3 | -7.8 | 0 | 0 | 0 | 111.1 | K55 F56 L57 | D53-K55 PolarHBondContact O-N 3.37Å; D53-F56 HydrophobicContact CB-CB 4.18Å; D53-F56 PolarHBondContact O-N 3.41Å; D53-F56 VanDerWaalsContact O-N 3.15Å; D53-L57 PolarHBondContact O-N 3.35Å | ||
| 54 | R | 91.1 | Very high | 94.2 | Very high | 192 Ų | 192 | 101.1 Ų | 101.1 | 73% | 0.725 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -54.2 | -40.3 | 177.1 | -177 | 179.7 | -177.1 | -84 | 0.3 | 112.4 | L58 | R54-L58 HydrophobicContact CG-CD1 4.03Å; R54-L58 WeakPolarHBondContact O-CB 3.35Å; R54-L58 VanDerWaalsContact O-CG 3.27Å; R54-L58 WeakPolarHBondContact O-CG 3.46Å; R54-L58 PolarHBondContact O-N 3.16Å; R54-L58 VanDerWaalsContact O-N 3.11Å |
| 55 | K | 94.5 | Very high | 94 | Very high | 177 Ų | 177 | 104.9 Ų | 104.9 | 77% | 0.77 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63 | -48.1 | -179.8 | -67.9 | -179 | -178.9 | 174.1 | 0 | 111 | D53 L58 E59 | D53-K55 PolarHBondContact O-N 3.37Å; K55-L58 PolarHBondContact O-N 3.18Å; K55-E59 PolarHBondContact O-N 2.87Å |
| 56 | F | 94.3 | Very high | 93.8 | Very high | 115 Ų | 115 | 101.4 Ų | 101.4 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | 178.3 | 174.4 | -100.7 | 0 | 0 | 0 | 111.8 | D53 L58 E59 C60 | D53-F56 HydrophobicContact CB-CB 4.18Å; D53-F56 PolarHBondContact O-N 3.41Å; D53-F56 VanDerWaalsContact O-N 3.15Å; F56-L58 VanDerWaalsContact C-N 3.28Å; F56-L58 PolarHBondContact O-N 3.04Å; F56-E59 WeakPolarHBondContact O-CB 3.44Å; F56-E59 PolarHBondContact O-N 2.91Å; F56-E59 VanDerWaalsContact O-N 3.08Å; F56-C60 PolarHBondContact O-N 2.98Å; F56-C60 PolarHBondContact O-SG 2.89Å |
| 57 | L | 91.7 | Very high | 93.5 | Very high | 71 Ų | 71 | 107.2 Ų | 107.2 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -40.2 | 178.2 | -69.1 | 176.5 | 0 | 0 | 0 | 112.6 | L40 Y52 D53 C60 | L40-L57 HydrophobicContact CD2-CD1 3.87Å; Y52-L57 HydrophobicContact CD1-CD2 3.97Å; Y52-L57 HydrophobicContact CG-CD2 4.24Å; D53-L57 PolarHBondContact O-N 3.35Å; L57-C60 WeakPolarHBondContact O-CB 3.35Å; L57-C60 PolarHBondContact O-N 3.34Å |
| 58 | L | 92.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 109.4 Ų | 109.4 | 37% | 0.366 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.3 | -32.3 | 177.7 | -71.6 | 174.7 | 0 | 0 | 0 | 112.5 | R54 K55 F56 C60 R61 | R54-L58 HydrophobicContact CG-CD1 4.03Å; R54-L58 WeakPolarHBondContact O-CB 3.35Å; R54-L58 VanDerWaalsContact O-CG 3.27Å; R54-L58 WeakPolarHBondContact O-CG 3.46Å; R54-L58 PolarHBondContact O-N 3.16Å; R54-L58 VanDerWaalsContact O-N 3.11Å; K55-L58 PolarHBondContact O-N 3.18Å; F56-L58 VanDerWaalsContact C-N 3.28Å; F56-L58 PolarHBondContact O-N 3.04Å; L58-C60 VanDerWaalsContact C-N 3.34Å; L58-R61 WeakPolarHBondContact O-CB 3.27Å; L58-R61 WeakPolarHBondContact O-CD 3.18Å; L58-R61 WeakPolarHBondContact O-CG 3.27Å; L58-R61 PolarHBondContact O-N 2.96Å |
| 59 | E | 95.8 | Very high | 92.8 | Very high | 135 Ų | 135 | 110.1 Ų | 110.1 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.7 | -37.3 | 174.2 | -172 | 171.4 | -174.5 | 0 | 0 | 111.5 | K55 F56 R61 N62 | K55-E59 PolarHBondContact O-N 2.87Å; F56-E59 WeakPolarHBondContact O-CB 3.44Å; F56-E59 PolarHBondContact O-N 2.91Å; F56-E59 VanDerWaalsContact O-N 3.08Å; E59-R61 PolarHBondContact O-N 2.86Å; E59-N62 PolarHBondContact O-N 2.8Å |
| 60 | C | 92.9 | Very high | 92.4 | Very high | 50 Ų | 50 | 106.8 Ų | 106.8 | 34% | 0.338 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.1 | -26.6 | 174.9 | -65.2 | 0 | 0 | 0 | 0 | 113.1 | F56 L57 L58 N62 S63 T66 | F56-C60 PolarHBondContact O-N 2.98Å; F56-C60 PolarHBondContact O-SG 2.89Å; L57-C60 WeakPolarHBondContact O-CB 3.35Å; L57-C60 PolarHBondContact O-N 3.34Å; L58-C60 VanDerWaalsContact C-N 3.34Å; C60-N62 PolarHBondContact O-N 2.83Å; C60-N62 VanDerWaalsContact O-N 3.12Å; C60-S63 WeakPolarHBondContact O-CB 3.46Å; C60-S63 PolarHBondContact O-N 3.04Å; C60-T66 VanDerWaalsContact O-CG2 3.27Å; C60-T66 WeakPolarHBondContact O-CG2 3.09Å |
| 61 | R | 93.3 | Very high | 91.8 | Very high | 170 Ų | 170 | 110 Ų | 110 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -26.7 | 176.9 | 91.9 | -168.6 | 176.2 | 178.9 | -2.1 | 113.2 | L58 E59 S63 T66 | L58-R61 WeakPolarHBondContact O-CB 3.27Å; L58-R61 WeakPolarHBondContact O-CD 3.18Å; L58-R61 WeakPolarHBondContact O-CG 3.27Å; L58-R61 PolarHBondContact O-N 2.96Å; E59-R61 PolarHBondContact O-N 2.86Å; R61-S63 VanDerWaalsContact C-N 3.34Å; R61-T66 PolarHBondContact O-OG1 3.34Å |
| 62 | N | 94.1 | Very high | 91.2 | Very high | 98 Ų | 98 | 110.7 Ų | 110.7 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -5.6 | -178.1 | -59.8 | -38.1 | 0 | 0 | 0 | 112.7 | E59 C60 | E59-N62 PolarHBondContact O-N 2.8Å; C60-N62 PolarHBondContact O-N 2.83Å; C60-N62 VanDerWaalsContact O-N 3.12Å |
| 63 | S | 95.6 | Very high | 90.7 | Very high | 47 Ų | 47 | 113.3 Ų | 113.3 | 33% | 0.329 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -64.3 | 146.6 | 179.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | C60 R61 I65 T66 | C60-S63 WeakPolarHBondContact O-CB 3.46Å; C60-S63 PolarHBondContact O-N 3.04Å; R61-S63 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.03Å; S63-I65 VanDerWaalsContact O-N 3.16Å; S63-I65 WeakPolarHBondContact OG-CG2 3.32Å; S63-T66 PolarHBondContact O-N 2.81Å; S63-T66 PolarHBondContact O-OG1 3.26Å |
| 64 | P | 94.4 | Very high | 90.4 | Very high | 103 Ų | 103 | 111.6 Ų | 111.6 | 67% | 0.669 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -55.1 | -33.5 | 175.1 | -26.5 | 35.1 | 0 | 0 | 0 | 113.6 | T66 R67 | P64-T66 VanDerWaalsContact C-N 3.29Å; P64-T66 PolarHBondContact O-N 3.4Å; P64-R67 WeakPolarHBondContact O-CB 3.47Å; P64-R67 PolarHBondContact O-N 3.16Å |
| 65 | I | 91 | Very high | 90.2 | Very high | 130 Ų | 130 | 109.4 Ų | 109.4 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -65.5 | -30.4 | -176 | -160.2 | 169.3 | 0 | 0 | 0 | 113.1 | S63 R67 T68 | S63-I65 PolarHBondContact O-N 3.03Å; S63-I65 VanDerWaalsContact O-N 3.16Å; S63-I65 WeakPolarHBondContact OG-CG2 3.32Å; I65-R67 PolarHBondContact O-N 3.12Å; I65-T68 PolarHBondContact O-N 2.79Å |
| 66 | T | 90.6 | Very high | 90 | Very high | 76 Ų | 76 | 104.5 Ų | 104.5 | 47% | 0.466 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -76.5 | -11.6 | -179.4 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | C60 R61 S63 P64 | C60-T66 VanDerWaalsContact O-CG2 3.27Å; C60-T66 WeakPolarHBondContact O-CG2 3.09Å; R61-T66 PolarHBondContact O-OG1 3.34Å; S63-T66 PolarHBondContact O-N 2.81Å; S63-T66 PolarHBondContact O-OG1 3.26Å; P64-T66 VanDerWaalsContact C-N 3.29Å; P64-T66 PolarHBondContact O-N 3.4Å |
| 67 | R | 88.9 | Confident | 89.6 | Confident | 194 Ų | 194 | 104 Ų | 104 | 73% | 0.732 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -87.3 | -8.5 | 176.4 | -59.6 | -179.7 | 179.8 | 173.3 | -0 | 112.8 | P64 I65 P69 | P64-R67 WeakPolarHBondContact O-CB 3.47Å; P64-R67 PolarHBondContact O-N 3.16Å; I65-R67 PolarHBondContact O-N 3.12Å; R67-P69 WeakPolarHBondContact O-CD 3.17Å |
| 68 | T | 89.6 | Confident | 89.3 | Confident | 97 Ų | 97 | 104.7 Ų | 104.7 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -79.7 | 117.5 | 175.6 | -57 | 0 | 0 | 0 | 0 | 109.1 | I65 | I65-T68 PolarHBondContact O-N 2.79Š|
| 69 | P | 84.6 | Confident | 89.1 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 140.5 | 176.7 | -22.4 | 34.1 | 0 | 0 | 0 | 111.3 | R67 C71 | R67-P69 WeakPolarHBondContact O-CD 3.17Å; P69-C71 PolarHBondContact O-N 3.01Å |
| 70 | P | 86.5 | Confident | 88.7 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 135.9 | 176.8 | -19.8 | 30.6 | 0 | 0 | 0 | 111.8 | C72 L73 | P70-C72 PolarHBondContact O-N 3.35Å; P70-L73 HydrophobicContact CB-CB 4.34Å; P70-L73 PolarHBondContact O-N 3.16Å |
| 71 | C | 81.5 | Confident | 88.3 | Confident | 133 Ų | 133 | 101 Ų | 101 | 90% | 0.899 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -12.6 | -171.3 | -58.9 | 0 | 0 | 0 | 0 | 115.5 | P69 | P69-C71 PolarHBondContact O-N 3.01Š|
| 72 | C | 83.8 | Confident | 87.5 | Confident | 122 Ų | 122 | 97.9 Ų | 97.9 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 27.8 | -174.3 | -54.1 | 0 | 0 | 0 | 0 | 112.5 | P70 P74 | P70-C72 PolarHBondContact O-N 3.35Å; C72-P74 WeakPolarHBondContact O-CD 3.43Å |
| 73 | L | 84.1 | Confident | 86.2 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | trans | -70.5 | 121.3 | -179.3 | -165.2 | 70.1 | 0 | 0 | 0 | 109.9 | P70 T80 | P70-L73 HydrophobicContact CB-CB 4.34Å; P70-L73 PolarHBondContact O-N 3.16Å; L73-T80 HydrophobicContact CD1-CG2 4.07Å; L73-T80 HydrophobicContact CD2-CG2 3.86Å; L73-T80 HydrophobicContact CG-CG2 3.82Å | ||
| 74 | P | 88.5 | Confident | 84.6 | Confident | 76 Ų | 76 | 104.3 Ų | 104.3 | 49% | 0.494 | 63% | 0.625 | S | S | . | * | trans | -62.7 | 146.5 | -178.7 | 26 | -34.4 | 0 | 0 | 0 | 110.5 | C72 I76 T80 | C72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-I76 HydrophobicContact CB-CD1 4.43Å; P74-I76 HydrophobicContact CB-CG1 4.31Å; P74-I76 HydrophobicContact CG-CD1 4.04Å; P74-I76 HydrophobicContact CG-CG1 4.4Å; P74-I76 PolarHBondContact O-N 3.26Å; P74-T80 VanDerWaalsContact O-CB 3.28Å; P74-T80 WeakPolarHBondContact O-CB 3.03Å; P74-T80 PolarHBondContact O-OG1 3.43Å | ||
| 75 | H | 86.4 | Confident | 82.4 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 67% | 0.671 | 63% | 0.628 | S | S | * | * | trans | -85 | 99.5 | 177.1 | -174.3 | 84.9 | 0 | 0 | 0 | 110.7 | A81 | H75-A81 VanDerWaalsContact CE1-CB 3.41Å; H75-A81 WeakPolarHBondContact CE1-CB 3.46Å | ||
| 76 | I | 90 | Very high | 80.3 | Confident | 75 Ų | 75 | 106 Ų | 106 | 39% | 0.385 | 63% | 0.631 | S | S | . | * | trans | -115.9 | 113.1 | -179.4 | -56.5 | 171.6 | 0 | 0 | 0 | 107.3 | P74 G78 V79 T80 A81 | P74-I76 HydrophobicContact CB-CD1 4.43Å; P74-I76 HydrophobicContact CB-CG1 4.31Å; P74-I76 HydrophobicContact CG-CD1 4.04Å; P74-I76 HydrophobicContact CG-CG1 4.4Å; P74-I76 PolarHBondContact O-N 3.26Å; I76-G78 PolarHBondContact O-N 3.06Å; I76-V79 HydrophobicContact CB-CB 4.05Å; I76-V79 HydrophobicContact CB-CG2 4.49Å; I76-V79 HydrophobicContact CG2-CB 3.83Å; I76-V79 HydrophobicContact CG2-CG2 3.7Å; I76-V79 PolarHBondContact O-N 3.47Å; I76-V79 VanDerWaalsContact O-N 3.1Å; I76-T80 PolarHBondContact N-OG1 2.83Å; I76-T80 PolarHBondContact O-N 2.94Å; I76-T80 VanDerWaalsContact O-N 3.1Å; I76-T80 PolarHBondContact O-OG1 3.03Å; I76-A81 PolarHBondContact O-N 3.11Å; I76-A81 VanDerWaalsContact O-N 3.13Å | ||
| 77 | P | 86.3 | Confident | 78.6 | Confident | 105 Ų | 105 | 110.9 Ų | 110.9 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 129.2 | 177.2 | -26.6 | 35.1 | 0 | 0 | 0 | 111.5 | V79 | P77-V79 VanDerWaalsContact C-N 3.26Å; P77-V79 PolarHBondContact O-N 3.15Å |
| 78 | G | 85.9 | Confident | 76.7 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 87% | 0.866 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.5 | -5.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | I76 | I76-G78 PolarHBondContact O-N 3.06Š|
| 79 | V | 88.6 | Confident | 74.4 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -62.9 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | I76 P77 | I76-V79 HydrophobicContact CB-CB 4.05Å; I76-V79 HydrophobicContact CB-CG2 4.49Å; I76-V79 HydrophobicContact CG2-CB 3.83Å; I76-V79 HydrophobicContact CG2-CG2 3.7Å; I76-V79 PolarHBondContact O-N 3.47Å; I76-V79 VanDerWaalsContact O-N 3.1Å; P77-V79 VanDerWaalsContact C-N 3.26Å; P77-V79 PolarHBondContact O-N 3.15Å |
| 80 | T | 86.5 | Confident | 72.8 | Confident | 43 Ų | 43 | 112.9 Ų | 112.9 | 26% | 0.264 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112 | -17.1 | -175.3 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | L73 P74 I76 | L73-T80 HydrophobicContact CD1-CG2 4.07Å; L73-T80 HydrophobicContact CD2-CG2 3.86Å; L73-T80 HydrophobicContact CG-CG2 3.82Å; P74-T80 VanDerWaalsContact O-CB 3.28Å; P74-T80 WeakPolarHBondContact O-CB 3.03Å; P74-T80 PolarHBondContact O-OG1 3.43Å; I76-T80 PolarHBondContact N-OG1 2.83Å; I76-T80 PolarHBondContact O-N 2.94Å; I76-T80 VanDerWaalsContact O-N 3.1Å; I76-T80 PolarHBondContact O-OG1 3.03Å |
| 81 | A | 83.7 | Confident | 70.8 | Confident | 23 Ų | 23 | 117.2 Ų | 117.2 | 19% | 0.19 | 68% | 0.682 | C | S | . | * | S | Bend | trans | -67.3 | 136.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H75 I76 A83 | H75-A81 VanDerWaalsContact CE1-CB 3.41Å; H75-A81 WeakPolarHBondContact CE1-CB 3.46Å; I76-A81 PolarHBondContact O-N 3.11Å; I76-A81 VanDerWaalsContact O-N 3.13Å; A81-A83 PolarHBondContact O-N 3.19Å |
| 82 | P | 76.6 | Confident | 69.1 | Low | 104 Ų | 104 | 120.1 Ų | 120.1 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 130.8 | 176.1 | 23.4 | -30.9 | 0 | 0 | 0 | 110.1 | Q84 | P82-Q84 PolarHBondContact O-N 2.98Å; P82-Q84 VanDerWaalsContact O-N 3.12Å |
| 83 | A | 67.5 | Low | 67.1 | Low | 87 Ų | 87 | 121.6 Ų | 121.6 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 116.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A81 H85 | A81-A83 PolarHBondContact O-N 3.19Å; A83-H85 PolarHBondContact O-N 3.08Å |
| 84 | Q | 60.8 | Low | 65.4 | Low | 193 Ų | 193 | 123.8 Ų | 123.8 | 90% | 0.902 | 69% | 0.692 | S | S | * | * | trans | -75 | 0.9 | 179.9 | -65.3 | -124.8 | -46.6 | 0 | 0 | 113.5 | P82 | P82-Q84 PolarHBondContact O-N 2.98Å; P82-Q84 VanDerWaalsContact O-N 3.12Å | ||
| 85 | H | 48.8 | Very low | 63.3 | Low | 156 Ų | 156 | 127.5 Ų | 127.5 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -109.8 | 126.9 | -176.6 | -117.5 | -84.6 | 0 | 0 | 0 | 111.2 | A83 L87 | A83-H85 PolarHBondContact O-N 3.08Å; H85-L87 PolarHBondContact O-N 3.36Å |
| 86 | P | 48 | Very low | 61.5 | Low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -61.7 | 123.4 | 169.8 | 23.8 | -28.9 | 0 | 0 | 0 | 108.7 | G88 | P86-G88 VanDerWaalsContact C-N 3.31Å; P86-G88 PolarHBondContact O-N 3.31Å | ||
| 87 | L | 53.8 | Low | 59.4 | Low | 180 Ų | 180 | 133.4 Ų | 133.4 | 94% | 0.942 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -60.4 | 93.7 | 166.4 | -100.9 | 77.1 | 0 | 0 | 0 | 108.3 | H85 | H85-L87 PolarHBondContact O-N 3.36Š|
| 88 | G | 50.3 | Low | 57.7 | Low | 60 Ų | 60 | 136.3 Ų | 136.3 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | trans | -178.3 | 111.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P86 | P86-G88 VanDerWaalsContact C-N 3.31Å; P86-G88 PolarHBondContact O-N 3.31Å | ||
| 89 | K | 40.3 | Very low | 56 | Low | 203 Ų | 203 | 140.3 Ų | 140.3 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | 87.5 | 78.6 | 176.9 | -54.2 | -176.9 | 179.4 | -178.9 | 0 | 115.7 | K91 | K89-K91 PolarHBondContact O-N 3.29Š| ||
| 90 | L | 50.3 | Low | 53.9 | Low | 174 Ų | 174 | 139.8 Ų | 139.8 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | trans | -67.1 | 112.4 | 145.8 | -146.3 | 159.9 | 0 | 0 | 0 | 105.9 | ||||
| 91 | K | 44.7 | Very low | 52.6 | Low | 178 Ų | 178 | 141.6 Ų | 141.6 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | -73.2 | 123.5 | 170.5 | -87.3 | -177.6 | 172.8 | -178.2 | 0 | 107.5 | K89 M93 | K89-K91 PolarHBondContact O-N 3.29Å; K91-M93 PolarHBondContact O-N 3.42Å | ||
| 92 | E | 46.8 | Very low | 51.2 | Low | 195 Ų | 195 | 148 Ų | 148 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -59 | 116.4 | 160.6 | -75.5 | 176.3 | 154 | 0 | 0 | 107.9 | ||||
| 93 | M | 41.2 | Very low | 50.4 | Low | 152 Ų | 152 | 150.4 Ų | 150.4 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -99.3 | 112.9 | 162.3 | -86.4 | 175 | 63.3 | 0 | 0 | 107 | K91 | K91-M93 PolarHBondContact O-N 3.42Š| ||
| 94 | D | 49.3 | Very low | 50.2 | Low | 142 Ų | 142 | 150.1 Ų | 150.1 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 117.6 | 166.8 | -169.7 | -33.6 | 0 | 0 | 0 | 108.1 | ||||
| 95 | E | 43.1 | Very low | 50.5 | Low | 155 Ų | 155 | 148.8 Ų | 148.8 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -131.1 | 80.7 | 172.4 | -67.9 | -165.5 | 164.3 | 0 | 0 | 110.2 | K97 | E95-K97 PolarHBondContact O-N 3.37Š| ||
| 96 | N | 48.9 | Very low | 51.2 | Low | 158 Ų | 158 | 150 Ų | 150 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -65.6 | 102.5 | 147.3 | -87.5 | -40.6 | 0 | 0 | 0 | 108.9 | ||||
| 97 | K | 45.8 | Very low | 51.9 | Low | 185 Ų | 185 | 150.1 Ų | 150.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -146.6 | 113.9 | 157.7 | -146.3 | 176.4 | -173.3 | -178.2 | 0 | 110.2 | E95 I99 | E95-K97 PolarHBondContact O-N 3.37Å; K97-I99 PolarHBondContact O-N 3.28Å | ||
| 98 | D | 50.6 | Low | 52.8 | Low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -45.8 | 124.1 | 178 | -67.4 | -72.4 | 0 | 0 | 0 | 112.9 | ||||
| 99 | I | 49.8 | Very low | 53.8 | Low | 167 Ų | 167 | 152.9 Ų | 152.9 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -97.2 | 108.7 | 167 | -71.8 | 162.5 | 0 | 0 | 0 | 107 | K97 A101 | K97-I99 PolarHBondContact O-N 3.28Å; I99-A101 PolarHBondContact O-N 3.04Å | ||
| 100 | S | 45.3 | Very low | 54.7 | Low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -57.4 | 125.8 | 172 | -176 | 0 | 0 | 0 | 0 | 110.2 | D102 | S100-D102 PolarHBondContact O-N 3Š| ||
| 101 | A | 59.5 | Low | 55 | Low | 80 Ų | 80 | 153 Ų | 153 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | -69.7 | 110.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | I99 | I99-A101 PolarHBondContact O-N 3.04Š| ||
| 102 | D | 54.4 | Low | 55.5 | Low | 158 Ų | 158 | 151.7 Ų | 151.7 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -144 | 102.1 | 152.8 | -97.6 | -46.5 | 0 | 0 | 0 | 108.2 | S100 | S100-D102 PolarHBondContact O-N 3Š| ||
| 103 | D | 58.4 | Low | 56 | Low | 155 Ų | 155 | 149.3 Ų | 149.3 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -64.4 | 128.1 | -178.3 | -63.6 | -63.4 | 0 | 0 | 0 | 112.2 | ||||
| 104 | A | 64.3 | Low | 56.9 | Low | 80 Ų | 80 | 149.1 Ų | 149.1 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | trans | 172.6 | 32.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F106 | A104-F106 PolarHBondContact O-N 3Å; A104-F106 VanDerWaalsContact O-N 3.1Å | ||
| 105 | Q | 67.1 | Low | 57.3 | Low | 165 Ų | 165 | 149.6 Ų | 149.6 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -8.4 | -176 | -169.3 | 168.4 | -13.2 | 0 | 0 | 114.6 | ||
| 106 | F | 62.8 | Low | 58.3 | Low | 183 Ų | 183 | 149.2 Ų | 149.2 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | 73.2 | -179.8 | -49.9 | -77.7 | 0 | 0 | 0 | 112.6 | A104 | A104-F106 PolarHBondContact O-N 3Å; A104-F106 VanDerWaalsContact O-N 3.1Å |
| 107 | V | 64.1 | Low | 59 | Low | 113 Ų | 113 | 148.6 Ų | 148.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -88.4 | 105.3 | 156.2 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 108 | I | 71.9 | Confident | 60 | Low | 149 Ų | 149 | 145.8 Ų | 145.8 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | trans | -92.5 | 113.3 | 168.5 | -146.8 | 111.1 | 0 | 0 | 0 | 106 | I110 | I108-I110 HydrophobicContact CG2-CG1 4.47Š| ||
| 109 | D | 72.1 | Confident | 60.8 | Low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -74.2 | 126.7 | 168.2 | -70.2 | -37.3 | 0 | 0 | 0 | 107.8 | ||||
| 110 | I | 59.3 | Low | 61.8 | Low | 226 Ų | 226 | 141.9 Ų | 141.9 | 100% | 1.159 | 79% | 0.79 | S | S | * | * | trans | -94.6 | 0 | 171.6 | -72.2 | 175.3 | 0 | 0 | 0 | 109.2 | I108 | I108-I110 HydrophobicContact CG2-CG1 4.47Š|
Retrieved 110 of 110 residues in 239.4 ms
(Link to these results)