| 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 | 26.9 | Very low | 30 | Very low | 216 Ų | 216 | 130.3 Ų | 130.3 | 100% | 1.064 | 65% | 0.645 | S | S | * | * | 0 | 115.5 | 0 | -170.7 | 170.9 | 117.6 | 0 | 0 | 106.5 | |||||
| 2 | F | 25.4 | Very low | 30.3 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 82% | 0.82 | 66% | 0.659 | S | S | * | * | trans | -115.5 | 115.7 | -177.6 | -68.3 | -78.7 | 0 | 0 | 0 | 108.9 | ||||
| 3 | C | 26 | Very low | 30.2 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 53% | 0.527 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 123.5 | 169.7 | -71.7 | 0 | 0 | 0 | 0 | 107.8 | F5 | C3-F5 HydrophobicContact CB-CE2 3.99Å; C3-F5 HydrophobicContact CB-CZ 4.38Å |
| 4 | W | 29.2 | Very low | 30.2 | Very low | 222 Ų | 222 | 133.1 Ų | 133.1 | 84% | 0.841 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 121.7 | 171 | -67.4 | 88.4 | 0 | 0 | 0 | 108.5 | ||
| 5 | F | 31.7 | Very low | 30.1 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 119.7 | 174.9 | -60.7 | -101.7 | 0 | 0 | 0 | 107 | C3 Y7 M19 | C3-F5 HydrophobicContact CB-CE2 3.99Å; C3-F5 HydrophobicContact CB-CZ 4.38Å; F5-Y7 PolarHBondContact O-N 3.2Å; F5-M19 HydrophobicContact CD1-CE 3.61Å; F5-M19 HydrophobicContact CE1-CE 3.16Å; F5-M19 HydrophobicContact CE1-SD 4.35Å; F5-M19 HydrophobicContact CZ-CE 4.01Å |
| 6 | V | 38 | Very low | 30.3 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 48% | 0.479 | 65% | 0.653 | S | S | . | * | trans | -84.2 | 105.4 | 166.6 | -171.8 | 0 | 0 | 0 | 0 | 106.4 | F8 | V6-F8 HydrophobicContact CB-CE1 4.28Å; V6-F8 HydrophobicContact CB-CE2 4.28Å; V6-F8 HydrophobicContact CB-CZ 3.81Å; V6-F8 HydrophobicContact CG1-CD1 4.16Å; V6-F8 HydrophobicContact CG1-CE1 3.33Å; V6-F8 HydrophobicContact CG1-CE2 4.16Å; V6-F8 HydrophobicContact CG1-CZ 3.35Å; V6-F8 PolarHBondContact O-N 2.79Å | ||
| 7 | Y | 30.2 | Very low | 30.1 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -83.8 | 109.1 | 175.4 | -159.2 | -93.4 | 0 | 0 | 0 | 108.2 | F5 G9 T10 | F5-Y7 PolarHBondContact O-N 3.2Å; Y7-G9 PolarHBondContact O-N 3.42Å; Y7-T10 HydrophobicContact CE1-CG2 4.05Å | ||
| 8 | F | 38.8 | Very low | 30.2 | Very low | 63 Ų | 63 | 128.8 Ų | 128.8 | 28% | 0.276 | 65% | 0.653 | S | S | . | * | trans | -78.6 | 121.1 | 170.6 | -58.8 | -63.4 | 0 | 0 | 0 | 107.5 | V6 T10 I16 I34 | V6-F8 HydrophobicContact CB-CE1 4.28Å; V6-F8 HydrophobicContact CB-CE2 4.28Å; V6-F8 HydrophobicContact CB-CZ 3.81Å; V6-F8 HydrophobicContact CG1-CD1 4.16Å; V6-F8 HydrophobicContact CG1-CE1 3.33Å; V6-F8 HydrophobicContact CG1-CE2 4.16Å; V6-F8 HydrophobicContact CG1-CZ 3.35Å; V6-F8 PolarHBondContact O-N 2.79Å; F8-T10 PolarHBondContact O-N 2.95Å; F8-I16 HydrophobicContact CB-CD1 3.76Å; F8-I16 HydrophobicContact CD2-CD1 3.83Å; F8-I16 HydrophobicContact CD2-CG2 4.23Å; F8-I16 HydrophobicContact CG-CD1 3.83Å; F8-I34 HydrophobicContact CD1-CD1 3.72Å; F8-I34 HydrophobicContact CE1-CD1 2.93Å; F8-I34 HydrophobicContact CE1-CG1 4.32Å; F8-I34 HydrophobicContact CE2-CD1 4.18Å; F8-I34 HydrophobicContact CZ-CD1 3.2Å | ||
| 9 | G | 27.6 | Very low | 30.5 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 65% | 0.648 | S | S | * | * | trans | -47.8 | 129 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y7 Q11 | Y7-G9 PolarHBondContact O-N 3.42Å; G9-Q11 VanDerWaalsContact C-N 3.32Å; G9-Q11 PolarHBondContact O-N 3.13Å | ||
| 10 | T | 30.4 | Very low | 31 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | trans | -66.1 | 86.6 | 179.7 | 51 | 0 | 0 | 0 | 0 | 109.7 | Y7 F8 | Y7-T10 HydrophobicContact CE1-CG2 4.05Å; F8-T10 PolarHBondContact O-N 2.95Å | ||
| 11 | Q | 26.4 | Very low | 31.1 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 41% | 0.407 | 63% | 0.628 | S | S | . | * | trans | -70.5 | 127.1 | 143.6 | -91.5 | -170.1 | 4 | 0 | 0 | 106.3 | G9 D13 Y14 D38 | G9-Q11 VanDerWaalsContact C-N 3.32Å; G9-Q11 PolarHBondContact O-N 3.13Å; Q11-D13 PolarHBondContact O-N 2.97Å; Q11-Y14 HydrophobicContact CB-CD2 4.45Å; Q11-Y14 PolarHBondContact O-N 2.97Å; Q11-Y14 VanDerWaalsContact O-N 3.13Å; Q11-D38 PolarHBondContact NE2-OD2 3.37Å; Q11-D38 VanDerWaalsContact NE2-OD2 3.12Å; Q11-D38 PolarHBondContact OE1-OD2 3.02Å | ||
| 12 | P | 32.8 | Very low | 31.8 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 81% | 0.805 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -12.9 | -169.4 | 20.6 | -31.2 | 0 | 0 | 0 | 114.8 | ||
| 13 | D | 29.8 | Very low | 32.1 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 77% | 0.765 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -3.6 | -179.1 | -64.5 | -59.1 | 0 | 0 | 0 | 114.8 | Q11 | Q11-D13 PolarHBondContact O-N 2.97Š|
| 14 | Y | 29.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 117.1 Ų | 117.1 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | trans | -117 | 85 | 177.3 | -68.4 | -78 | 0 | 0 | 0 | 111.2 | Q11 I16 | Q11-Y14 HydrophobicContact CB-CD2 4.45Å; Q11-Y14 PolarHBondContact O-N 2.97Å; Q11-Y14 VanDerWaalsContact O-N 3.13Å; Y14-I16 VanDerWaalsContact C-N 3.31Å; Y14-I16 PolarHBondContact O-N 3.43Å | ||
| 15 | S | 29.2 | Very low | 32.7 | Very low | 90 Ų | 90 | 110.3 Ų | 110.3 | 63% | 0.629 | 59% | 0.585 | S | S | * | * | trans | -64.2 | 94.3 | 157.8 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | D17 | S15-D17 PolarHBondContact O-N 2.88Å; S15-D17 PolarHBondContact OG-OD2 2.91Å | ||
| 16 | I | 33 | Very low | 32.8 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | trans | -78.2 | 84.3 | 163.6 | -57.9 | 178.8 | 0 | 0 | 0 | 106.3 | F8 Y14 K18 | F8-I16 HydrophobicContact CB-CD1 3.76Å; F8-I16 HydrophobicContact CD2-CD1 3.83Å; F8-I16 HydrophobicContact CD2-CG2 4.23Å; F8-I16 HydrophobicContact CG-CD1 3.83Å; Y14-I16 VanDerWaalsContact C-N 3.31Å; Y14-I16 PolarHBondContact O-N 3.43Å; I16-K18 HydrophobicContact CG2-CB 4.4Å; I16-K18 PolarHBondContact O-N 3.26Å | ||
| 17 | D | 27 | Very low | 32.9 | Very low | 144 Ų | 144 | 109 Ų | 109 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | trans | -62.1 | -0.2 | 172.8 | -91.3 | -64.9 | 0 | 0 | 0 | 113.5 | S15 | S15-D17 PolarHBondContact O-N 2.88Å; S15-D17 PolarHBondContact OG-OD2 2.91Å | ||
| 18 | K | 32.4 | Very low | 33.2 | Very low | 123 Ų | 123 | 103.4 Ų | 103.4 | 54% | 0.535 | 58% | 0.579 | S | S | . | * | trans | -105.8 | 89.4 | -174.9 | -61.8 | -152 | 177 | -168 | 0 | 111.5 | I16 L20 | I16-K18 HydrophobicContact CG2-CB 4.4Å; I16-K18 PolarHBondContact O-N 3.26Å; K18-L20 PolarHBondContact O-N 3.12Å | ||
| 19 | M | 35.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 103.9 Ų | 103.9 | 56% | 0.562 | 59% | 0.59 | S | S | * | * | trans | -62 | 114.3 | 162.7 | -173.1 | 177.5 | 174.8 | 0 | 0 | 109.4 | F5 I21 | F5-M19 HydrophobicContact CD1-CE 3.61Å; F5-M19 HydrophobicContact CE1-CE 3.16Å; F5-M19 HydrophobicContact CE1-SD 4.35Å; F5-M19 HydrophobicContact CZ-CE 4.01Å; M19-I21 HydrophobicContact CB-CG1 4.34Å; M19-I21 HydrophobicContact CE-CD1 4.37Å; M19-I21 HydrophobicContact CE-CG1 4Å; M19-I21 HydrophobicContact CG-CD1 4.4Å; M19-I21 HydrophobicContact CG-CG1 3.74Å; M19-I21 PolarHBondContact O-N 2.87Å; M19-I21 VanDerWaalsContact O-N 3.1Å; M19-I21 HydrophobicContact SD-CD1 4.07Å; M19-I21 HydrophobicContact SD-CG1 3.95Å | ||
| 20 | L | 40.6 | Very low | 34 | Very low | 55 Ų | 55 | 103.7 Ų | 103.7 | 29% | 0.288 | 57% | 0.573 | S | S | . | * | trans | -76.1 | 95.5 | 170.2 | -73.6 | 165 | 0 | 0 | 0 | 108.5 | K18 F22 V32 I63 | K18-L20 PolarHBondContact O-N 3.12Å; L20-F22 HydrophobicContact CB-CD2 4.46Å; L20-F22 HydrophobicContact CB-CE2 3.78Å; L20-F22 HydrophobicContact CB-CZ 4.14Å; L20-F22 PolarHBondContact O-N 3.27Å; L20-V32 HydrophobicContact CD1-CG1 4.17Å; L20-I63 HydrophobicContact CD1-CG2 4.2Å; L20-I63 HydrophobicContact CD2-CG2 4.27Å | ||
| 21 | I | 33.8 | Very low | 34.5 | Very low | 114 Ų | 114 | 99.7 Ų | 99.7 | 59% | 0.585 | 55% | 0.549 | S | S | * | . | trans | -87.7 | 105.3 | 176.6 | -53.7 | 179.4 | 0 | 0 | 0 | 108.4 | M19 S23 | M19-I21 HydrophobicContact CB-CG1 4.34Å; M19-I21 HydrophobicContact CE-CD1 4.37Å; M19-I21 HydrophobicContact CE-CG1 4Å; M19-I21 HydrophobicContact CG-CD1 4.4Å; M19-I21 HydrophobicContact CG-CG1 3.74Å; M19-I21 PolarHBondContact O-N 2.87Å; M19-I21 VanDerWaalsContact O-N 3.1Å; M19-I21 HydrophobicContact SD-CD1 4.07Å; M19-I21 HydrophobicContact SD-CG1 3.95Å; I21-S23 PolarHBondContact O-N 3.1Å | ||
| 22 | F | 40.6 | Very low | 35.4 | Very low | 77 Ų | 77 | 96.6 Ų | 96.6 | 34% | 0.338 | 54% | 0.536 | S | S | . | . | trans | -88.9 | 85.1 | 169.7 | -59.6 | -81.2 | 0 | 0 | 0 | 109.3 | L20 V25 I30 V32 A65 | L20-F22 HydrophobicContact CB-CD2 4.46Å; L20-F22 HydrophobicContact CB-CE2 3.78Å; L20-F22 HydrophobicContact CB-CZ 4.14Å; L20-F22 PolarHBondContact O-N 3.27Å; F22-V25 HydrophobicContact CB-CG2 4.1Å; F22-I30 HydrophobicContact CB-CD1 3.29Å; F22-I30 HydrophobicContact CD1-CD1 3.44Å; F22-I30 VanDerWaalsContact CD1-CD1 3.44Å; F22-I30 HydrophobicContact CD1-CG2 4.26Å; F22-I30 HydrophobicContact CD2-CD1 3.51Å; F22-I30 HydrophobicContact CD2-CG2 4.37Å; F22-I30 HydrophobicContact CE1-CD1 4.07Å; F22-I30 HydrophobicContact CE1-CG2 3.78Å; F22-I30 HydrophobicContact CE2-CD1 4.13Å; F22-I30 HydrophobicContact CE2-CG2 3.91Å; F22-I30 HydrophobicContact CG-CD1 3.11Å; F22-I30 HydrophobicContact CG-CG1 4.49Å; F22-I30 HydrophobicContact CZ-CD1 4.38Å; F22-I30 HydrophobicContact CZ-CG2 3.59Å; F22-V32 HydrophobicContact CE2-CG2 4.23Å; F22-V32 HydrophobicContact CZ-CG2 3.99Å; F22-A65 HydrophobicContact CE1-CB 4.15Å; F22-A65 HydrophobicContact CZ-CB 4.37Å | ||
| 23 | S | 31.6 | Very low | 35.9 | Very low | 91 Ų | 91 | 93.3 Ų | 93.3 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | trans | -85.7 | 136.2 | 171 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | I21 | I21-S23 PolarHBondContact O-N 3.1Š| ||
| 24 | N | 31.9 | Very low | 36.5 | Very low | 170 Ų | 170 | 89.2 Ų | 89.2 | 91% | 0.909 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 75.6 | 11.4 | 169.9 | -73.2 | -3.4 | 0 | 0 | 0 | 119.7 | A26 | N24-A26 PolarHBondContact O-N 3.05Š|
| 25 | V | 36.9 | Very low | 36.9 | Very low | 79 Ų | 79 | 84.9 Ų | 84.9 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | trans | -83.9 | 116.7 | 161.9 | -112.7 | 0 | 0 | 0 | 0 | 108 | F22 I30 | F22-V25 HydrophobicContact CB-CG2 4.1Å; V25-I30 HydrophobicContact CG2-CD1 4.06Å | ||
| 26 | A | 34.4 | Very low | 37.5 | Very low | 60 Ų | 60 | 84 Ų | 84 | 50% | 0.496 | 48% | 0.475 | S | S | . | . | trans | -44.6 | 162.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N24 H28 | N24-A26 PolarHBondContact O-N 3.05Å; A26-H28 WeakPolarHBondContact O-CB 3.42Å; A26-H28 PolarHBondContact O-CD2 3.2Å; A26-H28 PolarHBondContact O-N 3.07Å | ||
| 27 | P | 40 | Very low | 37.9 | Very low | 138 Ų | 138 | 86.2 Ų | 86.2 | 90% | 0.896 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -62.6 | 77.5 | -165 | 27.8 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 28 | H | 36.6 | Very low | 38.3 | Very low | 66 Ų | 66 | 81.7 Ų | 81.7 | 31% | 0.306 | 47% | 0.47 | S | S | . | . | trans | -110.2 | 113.4 | 176.6 | -66.9 | -66.6 | 0 | 0 | 0 | 103.2 | A26 I30 | A26-H28 WeakPolarHBondContact O-CB 3.42Å; A26-H28 PolarHBondContact O-CD2 3.2Å; A26-H28 PolarHBondContact O-N 3.07Å; H28-I30 WeakPolarHBondContact O-CG1 3.5Å; H28-I30 PolarHBondContact O-N 3.4Å; H28-I30 VanDerWaalsContact O-N 3.16Å | ||
| 29 | S | 38.5 | Very low | 38.5 | Very low | 73 Ų | 73 | 81.6 Ų | 81.6 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 123.1 | 174 | -56.6 | 0 | 0 | 0 | 0 | 108.2 | I68 | S29-I68 WeakPolarHBondContact O-CB 3.41Å; S29-I68 PolarHBondContact O-N 3.45Å |
| 30 | I | 43 | Very low | 38.3 | Very low | 63 Ų | 63 | 83.9 Ų | 83.9 | 32% | 0.323 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.9 | -179.8 | -52.3 | -178.3 | 0 | 0 | 0 | 106.7 | F22 V25 H28 V32 | F22-I30 HydrophobicContact CB-CD1 3.29Å; F22-I30 HydrophobicContact CD1-CD1 3.44Å; F22-I30 VanDerWaalsContact CD1-CD1 3.44Å; F22-I30 HydrophobicContact CD1-CG2 4.26Å; F22-I30 HydrophobicContact CD2-CD1 3.51Å; F22-I30 HydrophobicContact CD2-CG2 4.37Å; F22-I30 HydrophobicContact CE1-CD1 4.07Å; F22-I30 HydrophobicContact CE1-CG2 3.78Å; F22-I30 HydrophobicContact CE2-CD1 4.13Å; F22-I30 HydrophobicContact CE2-CG2 3.91Å; F22-I30 HydrophobicContact CG-CD1 3.11Å; F22-I30 HydrophobicContact CG-CG1 4.49Å; F22-I30 HydrophobicContact CZ-CD1 4.38Å; F22-I30 HydrophobicContact CZ-CG2 3.59Å; V25-I30 HydrophobicContact CG2-CD1 4.06Å; H28-I30 WeakPolarHBondContact O-CG1 3.5Å; H28-I30 PolarHBondContact O-N 3.4Å; H28-I30 VanDerWaalsContact O-N 3.16Å; I30-V32 HydrophobicContact CG2-CG2 3.95Å |
| 31 | C | 41.8 | Very low | 38 | Very low | 21 Ų | 21 | 86.5 Ų | 86.5 | 14% | 0.142 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.3 | 173.3 | -171.5 | 0 | 0 | 0 | 0 | 107.2 | Y43 C66 I68 | C31-Y43 PolarHBondContact SG-OH 3.42Å; C31-Y43 VanDerWaalsContact SG-OH 3.42Å; C31-C66 HydrophobicContact CB-CB 4.05Å; C31-C66 PolarHBondContact N-O 3.09Å; C31-C66 WeakPolarHBondContact O-CA 3.38Å; C31-C66 VanDerWaalsContact O-CB 3.3Å; C31-C66 WeakPolarHBondContact O-CB 3.43Å; C31-C66 PolarHBondContact O-N 2.87Å; C31-I68 HydrophobicContact CB-CD1 3.99Å; C31-I68 HydrophobicContact CB-CG1 4.43Å |
| 32 | V | 46 | Very low | 37.7 | Very low | 21 Ų | 21 | 87.2 Ų | 87.2 | 13% | 0.127 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.5 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | L20 F22 I30 I34 | L20-V32 HydrophobicContact CD1-CG1 4.17Å; F22-V32 HydrophobicContact CE2-CG2 4.23Å; F22-V32 HydrophobicContact CZ-CG2 3.99Å; I30-V32 HydrophobicContact CG2-CG2 3.95Å; V32-I34 HydrophobicContact CG1-CD1 4.27Å; V32-I34 HydrophobicContact CG1-CG1 3.88Å |
| 33 | T | 41.9 | Very low | 37.5 | Very low | 55 Ų | 55 | 89.1 Ų | 89.1 | 34% | 0.337 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.2 | 171.3 | -51.8 | 0 | 0 | 0 | 0 | 108.1 | Y43 T64 | T33-Y43 PolarHBondContact OG1-OH 3.03Å; T33-Y43 VanDerWaalsContact OG1-OH 3.13Å; T33-T64 PolarHBondContact N-O 2.04Å; T33-T64 PolarHBondContact O-N 2.86Å |
| 34 | I | 43.2 | Very low | 37.4 | Very low | 57 Ų | 57 | 90.1 Ų | 90.1 | 29% | 0.292 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.6 | 176.5 | -59.7 | -176.9 | 0 | 0 | 0 | 108.1 | F8 V32 | F8-I34 HydrophobicContact CD1-CD1 3.72Å; F8-I34 HydrophobicContact CE1-CD1 2.93Å; F8-I34 HydrophobicContact CE1-CG1 4.32Å; F8-I34 HydrophobicContact CE2-CD1 4.18Å; F8-I34 HydrophobicContact CZ-CD1 3.2Å; V32-I34 HydrophobicContact CG1-CD1 4.27Å; V32-I34 HydrophobicContact CG1-CG1 3.88Å |
| 35 | S | 38.2 | Very low | 37.5 | Very low | 73 Ų | 73 | 86.5 Ų | 86.5 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | trans | -87.1 | 110.8 | 167.3 | 56.9 | 0 | 0 | 0 | 0 | 108.1 | S62 | S35-S62 PolarHBondContact OG-OG 2.9Å; S35-S62 VanDerWaalsContact OG-OG 3.09Å | ||
| 36 | T | 40.5 | Very low | 37.3 | Very low | 71 Ų | 71 | 86.8 Ų | 86.8 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | trans | -113.7 | 153.4 | 168 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | D38 L41 | T36-D38 HydrophobicContact CG2-CB 4.11Å; T36-D38 WeakPolarHBondContact CG2-O 3.34Å; T36-D38 PolarHBondContact O-N 3.31Å; T36-D38 WeakPolarHBondContact OG1-CB 3.33Å; T36-D38 PolarHBondContact OG1-N 3.04Å; T36-L41 HydrophobicContact CG2-CD1 3.47Å; T36-L41 VanDerWaalsContact CG2-CD1 3.47Å; T36-L41 HydrophobicContact CG2-CG 4.16Å | ||
| 37 | T | 42 | Very low | 37 | Very low | 146 Ų | 146 | 89.1 Ų | 89.1 | 90% | 0.896 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -74.1 | -5 | 168 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | S39 | T37-S39 PolarHBondContact O-N 3.47Š|
| 38 | D | 35 | Very low | 36.5 | Very low | 49 Ų | 49 | 92 Ų | 92 | 26% | 0.262 | 54% | 0.538 | S | S | . | . | trans | -83.5 | 107.4 | 175.2 | -164.6 | -23.4 | 0 | 0 | 0 | 111.1 | Q11 T36 Q40 | Q11-D38 PolarHBondContact NE2-OD2 3.37Å; Q11-D38 VanDerWaalsContact NE2-OD2 3.12Å; Q11-D38 PolarHBondContact OE1-OD2 3.02Å; T36-D38 HydrophobicContact CG2-CB 4.11Å; T36-D38 WeakPolarHBondContact CG2-O 3.34Å; T36-D38 PolarHBondContact O-N 3.31Å; T36-D38 WeakPolarHBondContact OG1-CB 3.33Å; T36-D38 PolarHBondContact OG1-N 3.04Å; D38-Q40 PolarHBondContact O-N 3.48Å; D38-Q40 PolarHBondContact OD1-N 3.29Å | ||
| 39 | S | 35.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 91 Ų | 91 | 85% | 0.846 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.7 | -176.1 | -37.2 | 0 | 0 | 0 | 0 | 114.8 | T37 | T37-S39 PolarHBondContact O-N 3.47Š|
| 40 | Q | 32.2 | Very low | 36.1 | Very low | 161 Ų | 161 | 92.7 Ų | 92.7 | 75% | 0.752 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 6.1 | -171 | -65.4 | -169.1 | 32.2 | 0 | 0 | 115.7 | D38 P42 | D38-Q40 PolarHBondContact O-N 3.48Å; D38-Q40 PolarHBondContact OD1-N 3.29Å; Q40-P42 WeakPolarHBondContact O-CD 3.39Å |
| 41 | L | 33.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 92.3 Ų | 92.3 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | trans | -86.8 | 119.9 | 177.6 | -65.9 | -177.4 | 0 | 0 | 0 | 112.2 | T36 Y43 | T36-L41 HydrophobicContact CG2-CD1 3.47Å; T36-L41 VanDerWaalsContact CG2-CD1 3.47Å; T36-L41 HydrophobicContact CG2-CG 4.16Å; L41-Y43 PolarHBondContact O-N 3.46Å | ||
| 42 | P | 28.7 | Very low | 35.6 | Very low | 129 Ų | 129 | 95.6 Ų | 95.6 | 84% | 0.838 | 57% | 0.568 | S | S | * | * | trans | -74.4 | 120.4 | 172 | 28.5 | -31.2 | 0 | 0 | 0 | 110.2 | Q40 | Q40-P42 WeakPolarHBondContact O-CD 3.39Š| ||
| 43 | Y | 35.5 | Very low | 35.5 | Very low | 117 Ų | 117 | 97.5 Ų | 97.5 | 46% | 0.459 | 58% | 0.581 | S | S | . | * | trans | -116.3 | 130.2 | 175.2 | -167.2 | -98 | 0 | 0 | 0 | 110.9 | C31 T33 L41 | C31-Y43 PolarHBondContact SG-OH 3.42Å; C31-Y43 VanDerWaalsContact SG-OH 3.42Å; T33-Y43 PolarHBondContact OG1-OH 3.03Å; T33-Y43 VanDerWaalsContact OG1-OH 3.13Å; L41-Y43 PolarHBondContact O-N 3.46Å | ||
| 44 | S | 29.4 | Very low | 35.6 | Very low | 112 Ų | 112 | 101.8 Ų | 101.8 | 78% | 0.783 | 60% | 0.597 | S | S | * | * | trans | -119.6 | 112.2 | 172.3 | 44.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 45 | S | 34.1 | Very low | 35.5 | Very low | 93 Ų | 93 | 103.5 Ų | 103.5 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 128.1 | 178.7 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 46 | P | 32.1 | Very low | 35.8 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 56% | 0.558 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.6 | 172 | 26 | -30.1 | 0 | 0 | 0 | 111.4 | ||
| 47 | S | 29.7 | Very low | 35.6 | Very low | 109 Ų | 109 | 109.1 Ų | 109.1 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -68.9 | 138.9 | -179.8 | 11.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 48 | Q | 27.7 | Very low | 35.6 | Very low | 199 Ų | 199 | 105.2 Ų | 105.2 | 93% | 0.93 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 62.4 | 61.8 | 163.7 | -57.5 | -170.7 | 13.4 | 0 | 0 | 117.4 | ||
| 49 | S | 32.9 | Very low | 35.9 | Very low | 43 Ų | 43 | 111.1 Ų | 111.1 | 30% | 0.301 | 61% | 0.613 | S | S | . | * | trans | -128.9 | 135.8 | 158.4 | -67.2 | 0 | 0 | 0 | 0 | 108.9 | C51 I68 | S49-C51 PolarHBondContact O-N 3.42Å; S49-I68 VanDerWaalsContact CB-CG2 3.46Å; S49-I68 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 50 | T | 34.1 | Very low | 35.9 | Very low | 110 Ų | 110 | 113.4 Ų | 113.4 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | trans | -66.7 | 102.9 | 169.7 | 40.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 51 | C | 35.1 | Very low | 36.1 | Very low | 54 Ų | 54 | 110.4 Ų | 110.4 | 37% | 0.365 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 121 | 179.8 | -73.5 | 0 | 0 | 0 | 0 | 109.3 | S49 C66 S67 I68 | S49-C51 PolarHBondContact O-N 3.42Å; C51-C66 HydrophobicContact CB-CB 4Å; C51-S67 WeakPolarHBondContact CA-O 3.49Å; C51-I68 VanDerWaalsContact SG-CG1 3.58Å |
| 52 | T | 40.5 | Very low | 36.3 | Very low | 91 Ų | 91 | 105.6 Ų | 105.6 | 56% | 0.558 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 109.4 | 162.1 | -22.4 | 0 | 0 | 0 | 0 | 106.7 | C66 S67 | T52-C66 WeakPolarHBondContact O-CA 3.46Å; T52-S67 PolarHBondContact N-O 3.35Å; T52-S67 PolarHBondContact O-N 3.23Å; T52-S67 PolarHBondContact O-OG 3.27Å |
| 53 | C | 43 | Very low | 37.1 | Very low | 61 Ų | 61 | 101 Ų | 101 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.4 | -178.7 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | T64 A65 C66 | C53-T64 HydrophobicContact CB-CG2 3.63Å; C53-A65 CarbonylContact C-O 3.59Å; C53-A65 WeakPolarHBondContact CA-O 3.09Å; C53-C66 HydrophobicContact CB-CB 4.11Å; C53-C66 WeakPolarHBondContact CB-SG 3.42Å; C53-C66 WeakPolarHBondContact SG-CB 3.47Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 3.16Å |
| 54 | Q | 44.3 | Very low | 37.4 | Very low | 145 Ų | 145 | 96.6 Ų | 96.6 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.4 | 165 | -72.5 | -155 | -36.8 | 0 | 0 | 109.1 | A65 | Q54-A65 PolarHBondContact N-O 3.02Å; Q54-A65 PolarHBondContact O-N 2.55Å |
| 55 | Q | 41.8 | Very low | 38.3 | Very low | 92 Ų | 92 | 92.6 Ų | 92.6 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.7 | 176.7 | -169 | 173.6 | 31.6 | 0 | 0 | 108.9 | Y57 S62 I63 | Q55-Y57 HydrophobicContact CG-CD2 4.18Å; Q55-Y57 HydrophobicContact CG-CE2 3.68Å; Q55-Y57 PolarHBondContact NE2-OH 2.91Å; Q55-Y57 PolarHBondContact OE1-OH 3.49Å; Q55-S62 PolarHBondContact NE2-OG 3.24Å; Q55-I63 WeakPolarHBondContact CA-O 3.1Å |
| 56 | N | 42.7 | Very low | 38.6 | Very low | 96 Ų | 96 | 88.4 Ų | 88.4 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129 | 171.5 | -79.5 | -48.2 | 0 | 0 | 0 | 109.4 | I63 | N56-I63 PolarHBondContact N-O 2.99Å; N56-I63 PolarHBondContact O-N 3.06Å |
| 57 | Y | 36.3 | Very low | 39.1 | Very low | 167 Ų | 167 | 86 Ų | 86 | 66% | 0.655 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.5 | 173.8 | -76.5 | -90.9 | 0 | 0 | 0 | 109.6 | Q55 I61 | Q55-Y57 HydrophobicContact CG-CD2 4.18Å; Q55-Y57 HydrophobicContact CG-CE2 3.68Å; Q55-Y57 PolarHBondContact NE2-OH 2.91Å; Q55-Y57 PolarHBondContact OE1-OH 3.49Å; Y57-I61 WeakPolarHBondContact CA-O 3.42Å |
| 58 | I | 43.1 | Very low | 39.5 | Very low | 64 Ų | 64 | 81.5 Ų | 81.5 | 33% | 0.328 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.8 | 174.5 | -54.3 | 176.3 | 0 | 0 | 0 | 108 | N60 I61 | I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.13Å; I58-I61 PolarHBondContact N-O 3.42Å; I58-I61 WeakPolarHBondContact O-CB 3.3Å; I58-I61 PolarHBondContact O-N 2.76Å |
| 59 | H | 41.5 | Very low | 39.9 | Very low | 173 Ų | 173 | 76.6 Ų | 76.6 | 80% | 0.801 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.8 | 55.2 | 173.8 | -55.8 | 142.1 | 0 | 0 | 0 | 113.5 | I61 | H59-I61 VanDerWaalsContact C-N 3.31Å; H59-I61 PolarHBondContact O-N 2.89Å |
| 60 | N | 35.5 | Very low | 39.8 | Very low | 168 Ų | 168 | 81.9 Ų | 81.9 | 90% | 0.898 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -1.2 | -179.6 | -47.6 | -25 | 0 | 0 | 0 | 116.4 | I58 | I58-N60 VanDerWaalsContact C-N 3.33Å; I58-N60 PolarHBondContact O-N 3.13Å |
| 61 | I | 36.3 | Very low | 39.6 | Very low | 98 Ų | 98 | 82.6 Ų | 82.6 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 119.6 | 173.7 | -53.8 | 175.5 | 0 | 0 | 0 | 108.7 | Y57 I58 H59 I63 | Y57-I61 WeakPolarHBondContact CA-O 3.42Å; I58-I61 PolarHBondContact N-O 3.42Å; I58-I61 WeakPolarHBondContact O-CB 3.3Å; I58-I61 PolarHBondContact O-N 2.76Å; H59-I61 VanDerWaalsContact C-N 3.31Å; H59-I61 PolarHBondContact O-N 2.89Å; I61-I63 HydrophobicContact CG2-CD1 4.44Å; I61-I63 HydrophobicContact CG2-CG1 3.86Å |
| 62 | S | 37.3 | Very low | 39.5 | Very low | 10 Ų | 10 | 86.1 Ų | 86.1 | 7% | 0.07 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 117 | 168.7 | 125.2 | 0 | 0 | 0 | 0 | 108.7 | S35 Q55 | S35-S62 PolarHBondContact OG-OG 2.9Å; S35-S62 VanDerWaalsContact OG-OG 3.09Å; Q55-S62 PolarHBondContact NE2-OG 3.24Å |
| 63 | I | 45.2 | Very low | 38.9 | Very low | 32 Ų | 32 | 87.1 Ų | 87.1 | 16% | 0.164 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 111.5 | 175.1 | -54.3 | 177 | 0 | 0 | 0 | 107.2 | L20 Q55 N56 I61 | L20-I63 HydrophobicContact CD1-CG2 4.2Å; L20-I63 HydrophobicContact CD2-CG2 4.27Å; Q55-I63 WeakPolarHBondContact CA-O 3.1Å; N56-I63 PolarHBondContact N-O 2.99Å; N56-I63 PolarHBondContact O-N 3.06Å; I61-I63 HydrophobicContact CG2-CD1 4.44Å; I61-I63 HydrophobicContact CG2-CG1 3.86Å |
| 64 | T | 43.7 | Very low | 38.3 | Very low | 26 Ų | 26 | 89.7 Ų | 89.7 | 16% | 0.16 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 100.9 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | T33 C53 | T33-T64 PolarHBondContact N-O 2.04Å; T33-T64 PolarHBondContact O-N 2.86Å; C53-T64 HydrophobicContact CB-CG2 3.63Å |
| 65 | A | 48 | Very low | 37.8 | Very low | 27 Ų | 27 | 94 Ų | 94 | 22% | 0.223 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | F22 C53 Q54 | F22-A65 HydrophobicContact CE1-CB 4.15Å; F22-A65 HydrophobicContact CZ-CB 4.37Å; C53-A65 CarbonylContact C-O 3.59Å; C53-A65 WeakPolarHBondContact CA-O 3.09Å; Q54-A65 PolarHBondContact N-O 3.02Å; Q54-A65 PolarHBondContact O-N 2.55Å |
| 66 | C | 40.6 | Very low | 37.6 | Very low | 6 Ų | 6 | 94.2 Ų | 94.2 | 4% | 0.041 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.6 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | C31 C51 T52 C53 | C31-C66 HydrophobicContact CB-CB 4.05Å; C31-C66 PolarHBondContact N-O 3.09Å; C31-C66 WeakPolarHBondContact O-CA 3.38Å; C31-C66 VanDerWaalsContact O-CB 3.3Å; C31-C66 WeakPolarHBondContact O-CB 3.43Å; C31-C66 PolarHBondContact O-N 2.87Å; C51-C66 HydrophobicContact CB-CB 4Å; T52-C66 WeakPolarHBondContact O-CA 3.46Å; C53-C66 HydrophobicContact CB-CB 4.11Å; C53-C66 WeakPolarHBondContact CB-SG 3.42Å; C53-C66 WeakPolarHBondContact SG-CB 3.47Å; C53-C66 CovalentContact SG-SG 2.04Å; C53-C66 PolarHBondContact SG-SG 3.16Å |
| 67 | S | 41.9 | Very low | 37.3 | Very low | 36 Ų | 36 | 94.1 Ų | 94.1 | 25% | 0.252 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.1 | 168.5 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | C51 T52 | C51-S67 WeakPolarHBondContact CA-O 3.49Å; T52-S67 PolarHBondContact N-O 3.35Å; T52-S67 PolarHBondContact O-N 3.23Å; T52-S67 PolarHBondContact O-OG 3.27Å |
| 68 | I | 38.8 | Very low | 37.3 | Very low | 13 Ų | 13 | 90 Ų | 90 | 7% | 0.067 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 112.1 | 170.4 | -69.2 | 164.4 | 0 | 0 | 0 | 108.3 | S29 C31 S49 C51 K70 | S29-I68 WeakPolarHBondContact O-CB 3.41Å; S29-I68 PolarHBondContact O-N 3.45Å; C31-I68 HydrophobicContact CB-CD1 3.99Å; C31-I68 HydrophobicContact CB-CG1 4.43Å; S49-I68 VanDerWaalsContact CB-CG2 3.46Å; S49-I68 WeakPolarHBondContact OG-CG2 3.4Å; C51-I68 VanDerWaalsContact SG-CG1 3.58Å; I68-K70 HydrophobicContact CG2-CG 4.13Å; I68-K70 PolarHBondContact O-N 2.98Å |
| 69 | H | 34.5 | Very low | 37 | Very low | 97 Ų | 97 | 91.5 Ų | 91.5 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | trans | -83.9 | 99.1 | 165.5 | -82 | -117.3 | 0 | 0 | 0 | 108.4 | T71 | H69-T71 PolarHBondContact O-N 3Š| ||
| 70 | K | 31.1 | Very low | 36.7 | Very low | 153 Ų | 153 | 86.4 Ų | 86.4 | 67% | 0.665 | 49% | 0.491 | S | S | * | . | trans | -76.1 | 105.5 | 160.4 | -81.7 | -169.9 | 173.7 | -176.7 | 0 | 107.8 | I68 V72 | I68-K70 HydrophobicContact CG2-CG 4.13Å; I68-K70 PolarHBondContact O-N 2.98Å; K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 3.3Å | ||
| 71 | T | 31 | Very low | 36.8 | Very low | 125 Ų | 125 | 81 Ų | 81 | 77% | 0.767 | 46% | 0.464 | S | S | * | . | trans | -68.9 | 97.8 | 163.7 | -34.5 | 0 | 0 | 0 | 0 | 106.8 | H69 S73 | H69-T71 PolarHBondContact O-N 3Å; T71-S73 PolarHBondContact O-N 3.01Å; T71-S73 VanDerWaalsContact O-N 3.14Å | ||
| 72 | V | 31.7 | Very low | 36.8 | Very low | 128 Ų | 128 | 79.8 Ų | 79.8 | 78% | 0.776 | 46% | 0.462 | S | S | * | . | trans | -70.5 | 103.3 | 165.7 | -86.3 | 0 | 0 | 0 | 0 | 106.7 | K70 S74 | K70-V72 VanDerWaalsContact C-N 3.33Å; K70-V72 PolarHBondContact O-N 3.3Å; V72-S74 PolarHBondContact O-N 3.14Å | ||
| 73 | S | 28.8 | Very low | 36.8 | Very low | 113 Ų | 113 | 85.2 Ų | 85.2 | 79% | 0.79 | 49% | 0.492 | S | S | * | . | trans | -60.4 | 108.6 | 164.3 | -68.9 | 0 | 0 | 0 | 0 | 107.1 | T71 L75 | T71-S73 PolarHBondContact O-N 3.01Å; T71-S73 VanDerWaalsContact O-N 3.14Å; S73-L75 PolarHBondContact O-N 3.4Å | ||
| 74 | S | 30.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 89.6 Ų | 89.6 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | trans | -58.3 | 130 | 164.6 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | V72 | V72-S74 PolarHBondContact O-N 3.14Š| ||
| 75 | L | 32.4 | Very low | 35.4 | Very low | 236 Ų | 236 | 95.4 Ų | 95.4 | 100% | 1.236 | 55% | 0.552 | S | S | * | * | trans | -49.8 | 0 | 157.8 | -78.8 | 142.9 | 0 | 0 | 0 | 110.6 | S73 | S73-L75 PolarHBondContact O-N 3.4Š|
Retrieved 75 of 75 residues in 213.6 ms
(Link to these results)