| 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 | 83 | Confident | 90.4 | Very high | 136 Ų | 136 | 92.9 Ų | 92.9 | 67% | 0.67 | 55% | 0.545 | S | S | * | . | 0 | 148.7 | 0 | 178.4 | 179 | -79.6 | 0 | 0 | 108.6 | S9 P13 | M1-S9 WeakPolarHBondContact CG-OG 3.49Å; M1-P13 HydrophobicContact CE-CB 4.42Å | |||
| 2 | F | 84.2 | Confident | 90.1 | Very high | 63 Ų | 63 | 90.3 Ų | 90.3 | 28% | 0.276 | 54% | 0.542 | S | S | . | . | trans | -116.1 | 122.5 | 173.3 | -63 | -92.8 | 0 | 0 | 0 | 109.3 | S9 R11 M43 | F2-S9 WeakPolarHBondContact O-CA 3.37Å; F2-S9 PolarHBondContact O-OG 2.75Å; F2-R11 VanDerWaalsContact CE1-NH2 3.33Å; F2-R11 VanDerWaalsContact CG-CZ 3.44Å; F2-R11 VanDerWaalsContact CZ-NH2 3.29Å; F2-M43 HydrophobicContact CE1-CE 3.3Å; F2-M43 HydrophobicContact CZ-CB 4.15Å; F2-M43 HydrophobicContact CZ-CE 3.31Å; F2-M43 HydrophobicContact CZ-CG 4Å; F2-M43 HydrophobicContact CZ-SD 4.48Å | ||
| 3 | A | 90.6 | Very high | 89.8 | Confident | 65 Ų | 65 | 87.7 Ų | 87.7 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -113.7 | 148.2 | 180 | 0 | 0 | 0 | 0 | 0 | 110.6 | I8 | A3-I8 CarbonylContact C-O 3.58Å; A3-I8 WeakPolarHBondContact CA-O 3.26Å |
| 4 | T | 92.8 | Very high | 89.7 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | trans | -69.6 | 170.7 | 165.5 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | A6 G7 I8 Q10 | T4-A6 PolarHBondContact O-N 3.23Å; T4-A6 PolarHBondContact OG1-N 3.11Å; T4-G7 PolarHBondContact O-N 3.02Å; T4-I8 PolarHBondContact N-O 3.49Å; T4-I8 PolarHBondContact OG1-N 2.87Å; T4-Q10 HydrophobicContact CG2-CG 4.3Å | ||
| 5 | V | 95 | Very high | 89.6 | Confident | 165 Ų | 165 | 87.3 Ų | 87.3 | 100% | 1 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.7 | 173.5 | -61.1 | 0 | 0 | 0 | 0 | 113.5 | G7 | V5-G7 VanDerWaalsContact C-N 3.29Š|
| 6 | A | 96.3 | Very high | 89.5 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 62% | 0.62 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T4 I8 | T4-A6 PolarHBondContact O-N 3.23Å; T4-A6 PolarHBondContact OG1-N 3.11Å; A6-I8 VanDerWaalsContact C-N 3.32Å; A6-I8 HydrophobicContact CB-CD1 4.29Å; A6-I8 HydrophobicContact CB-CG1 4.35Å; A6-I8 PolarHBondContact O-N 2.82Å |
| 7 | G | 92.9 | Very high | 89.5 | Confident | 62 Ų | 62 | 86.1 Ų | 86.1 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 77.8 | 13.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T4 V5 | T4-G7 PolarHBondContact O-N 3.02Å; V5-G7 VanDerWaalsContact C-N 3.29Å |
| 8 | I | 93.3 | Very high | 89.4 | Confident | 102 Ų | 102 | 92 Ų | 92 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | trans | -95.8 | 124.6 | -176.9 | -58.8 | 173.8 | 0 | 0 | 0 | 109.6 | A3 T4 A6 | A3-I8 CarbonylContact C-O 3.58Å; A3-I8 WeakPolarHBondContact CA-O 3.26Å; T4-I8 PolarHBondContact N-O 3.49Å; T4-I8 PolarHBondContact OG1-N 2.87Å; A6-I8 VanDerWaalsContact C-N 3.32Å; A6-I8 HydrophobicContact CB-CD1 4.29Å; A6-I8 HydrophobicContact CB-CG1 4.35Å; A6-I8 PolarHBondContact O-N 2.82Å | ||
| 9 | S | 91 | Very high | 89.7 | Confident | 38 Ų | 38 | 92.7 Ų | 92.7 | 27% | 0.266 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -82.1 | 125.5 | 166.4 | -167.8 | 0 | 0 | 0 | 0 | 110.2 | M1 F2 R11 | M1-S9 WeakPolarHBondContact CG-OG 3.49Å; F2-S9 WeakPolarHBondContact O-CA 3.37Å; F2-S9 PolarHBondContact O-OG 2.75Å; S9-R11 PolarHBondContact OG-O 2.89Å |
| 10 | Q | 89.3 | Confident | 89.9 | Confident | 169 Ų | 169 | 90.4 Ų | 90.4 | 79% | 0.79 | 51% | 0.507 | S | S | * | . | trans | -95.3 | -3.6 | 176.4 | -66.7 | -177.4 | -19.2 | 0 | 0 | 112.9 | T4 | T4-Q10 HydrophobicContact CG2-CG 4.3Š| ||
| 11 | R | 86.5 | Confident | 90.3 | Very high | 95 Ų | 95 | 92 Ų | 92 | 36% | 0.358 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -136.8 | 157.4 | -178 | 54.8 | -167.7 | 178.3 | 160.7 | -9.2 | 111.3 | F2 S9 M43 | F2-R11 VanDerWaalsContact CE1-NH2 3.33Å; F2-R11 VanDerWaalsContact CG-CZ 3.44Å; F2-R11 VanDerWaalsContact CZ-NH2 3.29Å; S9-R11 PolarHBondContact OG-O 2.89Å; R11-M43 PolarHBondContact NH1-O 3.23Å |
| 12 | A | 86.1 | Confident | 90.9 | Very high | 61 Ų | 61 | 86.9 Ų | 86.9 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 151.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q46 | A12-Q46 PolarHBondContact O-NE2 3.49Å; A12-Q46 PolarHBondContact O-OE1 3.35Å |
| 13 | P | 86.9 | Confident | 91.5 | Very high | 57 Ų | 57 | 87.5 Ų | 87.5 | 37% | 0.37 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 155 | 171.9 | 27.8 | -33.4 | 0 | 0 | 0 | 111.4 | M1 | M1-P13 HydrophobicContact CE-CB 4.42Š|
| 14 | V | 88.2 | Confident | 91.8 | Very high | 13 Ų | 13 | 87 Ų | 87 | 8% | 0.079 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 131.4 | 163.4 | 176.9 | 0 | 0 | 0 | 0 | 106.8 | W16 H41 Q46 | V14-W16 HydrophobicContact CB-CE3 4.29Å; V14-W16 HydrophobicContact CB-CZ3 4.4Å; V14-W16 HydrophobicContact CG1-CE3 3.82Å; V14-W16 HydrophobicContact CG1-CZ3 4.27Å; V14-H41 HydrophobicContact CG1-CB 3.84Å; V14-Q46 HydrophobicContact CG2-CB 4.06Å; V14-Q46 HydrophobicContact CG2-CG 4.35Å |
| 15 | H | 87.4 | Confident | 91.9 | Very high | 156 Ų | 156 | 89.5 Ų | 89.5 | 72% | 0.722 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 126.5 | 172.9 | -72.6 | -82.6 | 0 | 0 | 0 | 109.4 | H41 | H15-H41 PolarHBondContact O-CE1 2.87Å; H15-H41 VanDerWaalsContact O-CE1 3.32Å |
| 16 | W | 89.1 | Confident | 91.9 | Very high | 112 Ų | 112 | 85.3 Ų | 85.3 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | trans | -145.9 | 175.1 | 175.2 | 51.3 | 41.7 | 0 | 0 | 0 | 109.3 | V14 V20 V30 A32 | V14-W16 HydrophobicContact CB-CE3 4.29Å; V14-W16 HydrophobicContact CB-CZ3 4.4Å; V14-W16 HydrophobicContact CG1-CE3 3.82Å; V14-W16 HydrophobicContact CG1-CZ3 4.27Å; W16-V20 HydrophobicContact CB-CG2 4.47Å; W16-V20 HydrophobicContact CG-CG2 4.18Å; W16-V30 HydrophobicContact CZ3-CG1 3.89Å; W16-A32 HydrophobicContact CE3-CB 4.42Å | ||
| 17 | S | 88.5 | Confident | 91.8 | Very high | 42 Ų | 42 | 89.3 Ų | 89.3 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | trans | -52.7 | 147 | 176.6 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | N19 V20 D34 | S17-N19 PolarHBondContact O-N 2.88Å; S17-N19 PolarHBondContact OG-N 3.09Å; S17-V20 WeakPolarHBondContact O-CG2 3.38Å; S17-D34 WeakPolarHBondContact CB-OD2 3.44Å; S17-D34 PolarHBondContact OG-OD2 2.75Å | ||
| 18 | E | 88.8 | Confident | 91.9 | Very high | 193 Ų | 193 | 87.9 Ų | 87.9 | 90% | 0.902 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.8 | 175.8 | -63.9 | -164.2 | 151.2 | 0 | 0 | 112.2 | ||
| 19 | N | 93.9 | Very high | 92 | Very high | 105 Ų | 105 | 87.8 Ų | 87.8 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 32.2 | -174.8 | -62.8 | -36.8 | 0 | 0 | 0 | 113.1 | S17 I21 D34 | S17-N19 PolarHBondContact O-N 2.88Å; S17-N19 PolarHBondContact OG-N 3.09Å; N19-I21 WeakPolarHBondContact O-CG2 3.44Å; N19-I21 PolarHBondContact O-N 3.42Å; N19-I21 VanDerWaalsContact O-N 3.09Å; N19-D34 WeakPolarHBondContact O-CB 3.43Å |
| 20 | V | 94.9 | Very high | 92.2 | Very high | 46 Ų | 46 | 86.7 Ų | 86.7 | 28% | 0.279 | 47% | 0.468 | S | S | . | . | trans | -62.3 | 116.2 | 177.3 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | W16 S17 G22 A32 L33 | W16-V20 HydrophobicContact CB-CG2 4.47Å; W16-V20 HydrophobicContact CG-CG2 4.18Å; S17-V20 WeakPolarHBondContact O-CG2 3.38Å; V20-G22 VanDerWaalsContact CG1-O 3.26Å; V20-G22 WeakPolarHBondContact CG1-O 3.35Å; V20-A32 HydrophobicContact CG1-CB 4.2Å; V20-A32 HydrophobicContact CG2-CB 4.02Å; V20-L33 CarbonylContact C-O 3.55Å; V20-L33 WeakPolarHBondContact CA-O 3.45Å | ||
| 21 | I | 97.2 | Very high | 92.6 | Very high | 126 Ų | 126 | 81.5 Ų | 81.5 | 65% | 0.646 | 45% | 0.445 | S | S | * | . | trans | -95.8 | -15.8 | 178.8 | 61 | 171.7 | 0 | 0 | 0 | 112.6 | N19 L33 | N19-I21 WeakPolarHBondContact O-CG2 3.44Å; N19-I21 PolarHBondContact O-N 3.42Å; N19-I21 VanDerWaalsContact O-N 3.09Å; I21-L33 HydrophobicContact CD1-CD2 4.07Å; I21-L33 HydrophobicContact CD1-CG 4.11Å; I21-L33 HydrophobicContact CG1-CD2 4.1Å; I21-L33 HydrophobicContact CG1-CG 3.91Å; I21-L33 WeakPolarHBondContact CG1-O 3.38Å; I21-L33 PolarHBondContact N-O 2.83Å | ||
| 22 | G | 96.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 77 Ų | 77 | 28% | 0.278 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 148 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V20 L33 | V20-G22 VanDerWaalsContact CG1-O 3.26Å; V20-G22 WeakPolarHBondContact CG1-O 3.35Å; G22-L33 PolarHBondContact N-O 3.46Å; G22-L33 PolarHBondContact O-N 2.98Å |
| 23 | A | 95.7 | Very high | 93.6 | Very high | 77 Ų | 77 | 77.6 Ų | 77.6 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I31 | A23-I31 CarbonylContact C-O 3.56Å; A23-I31 VanDerWaalsContact CA-O 3.23Å; A23-I31 WeakPolarHBondContact CA-O 3.45Å |
| 24 | A | 97.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 44% | 0.438 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V30 I31 | A24-V30 WeakPolarHBondContact O-CA 3.02Å; A24-I31 PolarHBondContact N-O 2.86Å; A24-I31 PolarHBondContact O-N 2.96Å |
| 25 | V | 95.6 | Very high | 94.4 | Very high | 105 Ų | 105 | 81 Ų | 81 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.8 | 174 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | V30 M43 | V25-V30 HydrophobicContact CG2-CG2 4.4Å; V25-M43 HydrophobicContact CG1-CE 4.27Å; V25-M43 HydrophobicContact CG1-SD 4.03Å |
| 26 | C | 95.1 | Very high | 94.7 | Very high | 78 Ų | 78 | 80.6 Ų | 80.6 | 53% | 0.527 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 87 | 170.4 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | Y29 | C26-Y29 CarbonylContact C-O 3.59Å; C26-Y29 PolarHBondContact N-O 2.86Å; C26-Y29 WeakPolarHBondContact O-CA 3.23Å; C26-Y29 WeakPolarHBondContact O-CB 3.46Å; C26-Y29 PolarHBondContact O-N 2.9Å |
| 27 | F | 94.1 | Very high | 95 | Very high | 158 Ų | 158 | 79.1 Ų | 79.1 | 69% | 0.693 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 130.1 | -170.9 | -179.1 | -90.1 | 0 | 0 | 0 | 111.4 | ||
| 28 | P | 94.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 80.5 Ų | 80.5 | 21% | 0.214 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -94 | 23.3 | 12.3 | 38.5 | -38.2 | 0 | 0 | 0 | 115.3 | M43 L44 | P28-M43 VanDerWaalsContact O-CB 3.28Å; P28-M43 WeakPolarHBondContact O-CB 3.39Å; P28-M43 WeakPolarHBondContact O-CG 3.06Å; P28-M43 PolarHBondContact O-N 3.23Å; P28-L44 HydrophobicContact CB-CD1 4.06Å; P28-L44 HydrophobicContact CB-CD2 4.46Å; P28-L44 HydrophobicContact CB-CG 4.04Å |
| 29 | Y | 95.8 | Very high | 95.9 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 152.9 | -173.6 | -52.5 | -73.9 | 0 | 0 | 0 | 113.8 | C26 V40 H41 K49 | C26-Y29 CarbonylContact C-O 3.59Å; C26-Y29 PolarHBondContact N-O 2.86Å; C26-Y29 WeakPolarHBondContact O-CA 3.23Å; C26-Y29 WeakPolarHBondContact O-CB 3.46Å; C26-Y29 PolarHBondContact O-N 2.9Å; Y29-V40 HydrophobicContact CD1-CG1 3.87Å; Y29-V40 HydrophobicContact CG-CG1 3.97Å; Y29-H41 CarbonylContact C-O 3.55Å; Y29-H41 VanDerWaalsContact CA-O 3.27Å; Y29-H41 WeakPolarHBondContact CA-O 3.47Å; Y29-K49 HydrophobicContact CE1-CG 4.26Å |
| 30 | V | 95.7 | Very high | 96 | Very high | 15 Ų | 15 | 68 Ų | 68 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.8 | 160 | 177 | 0 | 0 | 0 | 0 | 107.6 | W16 A24 V25 H41 M43 | W16-V30 HydrophobicContact CZ3-CG1 3.89Å; A24-V30 WeakPolarHBondContact O-CA 3.02Å; V25-V30 HydrophobicContact CG2-CG2 4.4Å; V30-H41 PolarHBondContact N-O 2.7Å; V30-H41 PolarHBondContact O-N 2.89Å; V30-M43 HydrophobicContact CG2-CE 4.26Å; V30-M43 HydrophobicContact CG2-CG 3.62Å; V30-M43 HydrophobicContact CG2-SD 3.86Å |
| 31 | I | 96.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128 | 174.3 | -57.7 | 166.6 | 0 | 0 | 0 | 106.7 | A23 A24 I38 T39 | A23-I31 CarbonylContact C-O 3.56Å; A23-I31 VanDerWaalsContact CA-O 3.23Å; A23-I31 WeakPolarHBondContact CA-O 3.45Å; A24-I31 PolarHBondContact N-O 2.86Å; A24-I31 PolarHBondContact O-N 2.96Å; I31-I38 HydrophobicContact CG2-CG2 3.56Å; I31-T39 WeakPolarHBondContact CA-O 3.27Å |
| 32 | A | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | W16 V20 T39 | W16-A32 HydrophobicContact CE3-CB 4.42Å; V20-A32 HydrophobicContact CG1-CB 4.2Å; V20-A32 HydrophobicContact CG2-CB 4.02Å; A32-T39 PolarHBondContact N-O 2.75Å; A32-T39 PolarHBondContact O-N 2.9Å |
| 33 | L | 97.5 | Very high | 95.7 | Very high | 74 Ų | 74 | 60.1 Ų | 60.1 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.5 | 175.1 | 173.4 | 69.3 | 0 | 0 | 0 | 108 | V20 I21 G22 I38 | V20-L33 CarbonylContact C-O 3.55Å; V20-L33 WeakPolarHBondContact CA-O 3.45Å; I21-L33 HydrophobicContact CD1-CD2 4.07Å; I21-L33 HydrophobicContact CD1-CG 4.11Å; I21-L33 HydrophobicContact CG1-CD2 4.1Å; I21-L33 HydrophobicContact CG1-CG 3.91Å; I21-L33 WeakPolarHBondContact CG1-O 3.38Å; I21-L33 PolarHBondContact N-O 2.83Å; G22-L33 PolarHBondContact N-O 3.46Å; G22-L33 PolarHBondContact O-N 2.98Å; L33-I38 HydrophobicContact CD1-CD1 4.44Å; L33-I38 HydrophobicContact CD1-CG1 3.69Å |
| 34 | D | 95.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | trans | -112.2 | -164.9 | 162.3 | 64.7 | 27.6 | 0 | 0 | 0 | 110.4 | S17 N19 E36 F37 | S17-D34 WeakPolarHBondContact CB-OD2 3.44Å; S17-D34 PolarHBondContact OG-OD2 2.75Å; N19-D34 WeakPolarHBondContact O-CB 3.43Å; D34-E36 VanDerWaalsContact C-N 3.28Å; D34-E36 PolarHBondContact O-N 3.32Å; D34-E36 PolarHBondContact OD1-N 2.8Å; D34-F37 PolarHBondContact N-O 2.9Å; D34-F37 VanDerWaalsContact N-O 3.11Å; D34-F37 PolarHBondContact OD1-N 2.83Å | ||
| 35 | D | 95.1 | Very high | 95.3 | Very high | 127 Ų | 127 | 63.4 Ų | 63.4 | 68% | 0.679 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -73.2 | -17.3 | -177.2 | 58.8 | -37.2 | 0 | 0 | 0 | 114.1 | ||
| 36 | E | 94.8 | Very high | 95.1 | Very high | 146 Ų | 146 | 60 Ų | 60 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -120.1 | -36.9 | -173.5 | -164.1 | 176 | -174 | 0 | 0 | 112.7 | D34 | D34-E36 VanDerWaalsContact C-N 3.28Å; D34-E36 PolarHBondContact O-N 3.32Å; D34-E36 PolarHBondContact OD1-N 2.8Å |
| 37 | F | 95.5 | Very high | 95 | Very high | 81 Ų | 81 | 61.8 Ų | 61.8 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | trans | -134.2 | 156 | -168.7 | -60.8 | -71.8 | 0 | 0 | 0 | 114.1 | D34 T39 T51 L52 | D34-F37 PolarHBondContact N-O 2.9Å; D34-F37 VanDerWaalsContact N-O 3.11Å; D34-F37 PolarHBondContact OD1-N 2.83Å; F37-T39 HydrophobicContact CB-CG2 4.49Å; F37-T51 HydrophobicContact CB-CG2 3.96Å; F37-T51 HydrophobicContact CD1-CG2 3.62Å; F37-T51 HydrophobicContact CE1-CG2 4.35Å; F37-T51 HydrophobicContact CG-CG2 3.88Å; F37-L52 WeakPolarHBondContact CA-O 3.34Å | ||
| 38 | I | 96.8 | Very high | 95.1 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.8 | 160.6 | -61.2 | 171.6 | 0 | 0 | 0 | 108.2 | I31 L33 T51 L52 | I31-I38 HydrophobicContact CG2-CG2 3.56Å; L33-I38 HydrophobicContact CD1-CD1 4.44Å; L33-I38 HydrophobicContact CD1-CG1 3.69Å; I38-T51 CarbonylContact O-C 3.57Å; I38-T51 WeakPolarHBondContact O-CA 3.4Å; I38-L52 HydrophobicContact CB-CB 4.43Å; I38-L52 HydrophobicContact CB-CD1 4.48Å; I38-L52 HydrophobicContact CG2-CD1 4.44Å; I38-L52 PolarHBondContact N-O 2.84Å; I38-L52 PolarHBondContact O-N 2.76Å |
| 39 | T | 97.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.4 | 175.7 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | I31 A32 F37 H41 Q50 T51 | I31-T39 WeakPolarHBondContact CA-O 3.27Å; A32-T39 PolarHBondContact N-O 2.75Å; A32-T39 PolarHBondContact O-N 2.9Å; F37-T39 HydrophobicContact CB-CG2 4.49Å; T39-H41 WeakPolarHBondContact CB-NE2 3.28Å; T39-H41 PolarHBondContact OG1-NE2 3.42Å; T39-Q50 WeakPolarHBondContact CA-O 3.36Å; T39-T51 HydrophobicContact CG2-CG2 4.25Å |
| 40 | V | 97.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 63 Ų | 63 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.7 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | Y29 Q48 K49 Q50 | Y29-V40 HydrophobicContact CD1-CG1 3.87Å; Y29-V40 HydrophobicContact CG-CG1 3.97Å; V40-Q48 CarbonylContact O-C 3.39Å; V40-Q48 WeakPolarHBondContact O-CA 3.39Å; V40-K49 PolarHBondContact O-N 2.89Å; V40-Q50 HydrophobicContact CB-CB 4.09Å; V40-Q50 HydrophobicContact CG2-CB 4.18Å; V40-Q50 PolarHBondContact N-O 2.93Å; V40-Q50 PolarHBondContact O-N 3.45Å |
| 41 | H | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.2 | -178.1 | -58.9 | -88.2 | 0 | 0 | 0 | 110.3 | V14 H15 Y29 V30 T39 | V14-H41 HydrophobicContact CG1-CB 3.84Å; H15-H41 PolarHBondContact O-CE1 2.87Å; H15-H41 VanDerWaalsContact O-CE1 3.32Å; Y29-H41 CarbonylContact C-O 3.55Å; Y29-H41 VanDerWaalsContact CA-O 3.27Å; Y29-H41 WeakPolarHBondContact CA-O 3.47Å; V30-H41 PolarHBondContact N-O 2.7Å; V30-H41 PolarHBondContact O-N 2.89Å; T39-H41 WeakPolarHBondContact CB-NE2 3.28Å; T39-H41 PolarHBondContact OG1-NE2 3.42Å |
| 42 | S | 94 | Very high | 95.3 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 130 | 174.9 | 151.5 | 0 | 0 | 0 | 0 | 110.7 | L44 D45 Q46 Q47 K49 | S42-L44 PolarHBondContact O-N 3.25Å; S42-L44 PolarHBondContact OG-N 2.62Å; S42-D45 WeakPolarHBondContact CB-OD1 3.33Å; S42-D45 PolarHBondContact OG-N 2.66Å; S42-D45 PolarHBondContact OG-OD1 3.41Å; S42-Q46 WeakPolarHBondContact O-CA 3.01Å; S42-Q46 PolarHBondContact O-N 2.87Å; S42-Q47 PolarHBondContact N-O 3.32Å; S42-K49 VanDerWaalsContact CB-CE 3.41Å |
| 43 | M | 91.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 72.3 Ų | 72.3 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.1 | 175.9 | -60 | 171.7 | 79.3 | 0 | 0 | 112.6 | F2 R11 V25 P28 V30 | F2-M43 HydrophobicContact CE1-CE 3.3Å; F2-M43 HydrophobicContact CZ-CB 4.15Å; F2-M43 HydrophobicContact CZ-CE 3.31Å; F2-M43 HydrophobicContact CZ-CG 4Å; F2-M43 HydrophobicContact CZ-SD 4.48Å; R11-M43 PolarHBondContact NH1-O 3.23Å; V25-M43 HydrophobicContact CG1-CE 4.27Å; V25-M43 HydrophobicContact CG1-SD 4.03Å; P28-M43 VanDerWaalsContact O-CB 3.28Å; P28-M43 WeakPolarHBondContact O-CB 3.39Å; P28-M43 WeakPolarHBondContact O-CG 3.06Å; P28-M43 PolarHBondContact O-N 3.23Å; V30-M43 HydrophobicContact CG2-CE 4.26Å; V30-M43 HydrophobicContact CG2-CG 3.62Å; V30-M43 HydrophobicContact CG2-SD 3.86Å |
| 44 | L | 91.7 | Very high | 95.1 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -45.5 | -177 | -57.8 | -179.9 | 0 | 0 | 0 | 111.2 | P28 S42 | P28-L44 HydrophobicContact CB-CD1 4.06Å; P28-L44 HydrophobicContact CB-CD2 4.46Å; P28-L44 HydrophobicContact CB-CG 4.04Å; S42-L44 PolarHBondContact O-N 3.25Å; S42-L44 PolarHBondContact OG-N 2.62Å |
| 45 | D | 91.9 | Very high | 95 | Very high | 74 Ų | 74 | 75.3 Ų | 75.3 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -2.2 | -177.2 | 63.4 | 7.1 | 0 | 0 | 0 | 113.8 | S42 Q47 K49 | S42-D45 WeakPolarHBondContact CB-OD1 3.33Å; S42-D45 PolarHBondContact OG-N 2.66Å; S42-D45 PolarHBondContact OG-OD1 3.41Å; D45-Q47 HydrophobicContact CB-CG 4.42Å; D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 PolarHBondContact OD1-N 3.5Å; D45-K49 WeakPolarHBondContact OD1-CE 3.34Å; D45-K49 IonicContact OD1-NZ 3.52Å; D45-K49 WeakPolarHBondContact OD2-CE 3.35Å; D45-K49 IonicContact OD2-NZ 2.66Å; D45-K49 PolarHBondContact OD2-NZ 2.73Å |
| 46 | Q | 91.4 | Very high | 95 | Very high | 34 Ų | 34 | 72.2 Ų | 72.2 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | trans | 63 | 22.6 | 175.1 | -45.1 | -173.7 | 147.7 | 0 | 0 | 114 | A12 V14 S42 | A12-Q46 PolarHBondContact O-NE2 3.49Å; A12-Q46 PolarHBondContact O-OE1 3.35Å; V14-Q46 HydrophobicContact CG2-CB 4.06Å; V14-Q46 HydrophobicContact CG2-CG 4.35Å; S42-Q46 WeakPolarHBondContact O-CA 3.01Å; S42-Q46 PolarHBondContact O-N 2.87Å | ||
| 47 | Q | 93.5 | Very high | 95 | Very high | 116 Ų | 116 | 67.6 Ų | 67.6 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | trans | -98.3 | 143.9 | 178.4 | -61.6 | -58.6 | -49.7 | 0 | 0 | 111.1 | S42 D45 K49 | S42-Q47 PolarHBondContact N-O 3.32Å; D45-Q47 HydrophobicContact CB-CG 4.42Å; D45-Q47 PolarHBondContact O-N 3.07Å; D45-Q47 PolarHBondContact OD1-N 3.5Å; Q47-K49 PolarHBondContact O-N 3.18Å | ||
| 48 | Q | 95.6 | Very high | 95 | Very high | 104 Ų | 104 | 66.7 Ų | 66.7 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.2 | 165.4 | -173 | 176.5 | -66.5 | 0 | 0 | 109.1 | V40 T51 | V40-Q48 CarbonylContact O-C 3.39Å; V40-Q48 WeakPolarHBondContact O-CA 3.39Å; Q48-T51 PolarHBondContact NE2-OG1 2.94Å |
| 49 | K | 97.2 | Very high | 94.8 | Very high | 105 Ų | 105 | 66.4 Ų | 66.4 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -27.4 | -179.2 | -59.5 | -55.2 | -177.6 | -179.4 | 0 | 112.3 | Y29 V40 S42 D45 Q47 | Y29-K49 HydrophobicContact CE1-CG 4.26Å; V40-K49 PolarHBondContact O-N 2.89Å; S42-K49 VanDerWaalsContact CB-CE 3.41Å; D45-K49 WeakPolarHBondContact OD1-CE 3.34Å; D45-K49 IonicContact OD1-NZ 3.52Å; D45-K49 WeakPolarHBondContact OD2-CE 3.35Å; D45-K49 IonicContact OD2-NZ 2.66Å; D45-K49 PolarHBondContact OD2-NZ 2.73Å; Q47-K49 PolarHBondContact O-N 3.18Å |
| 50 | Q | 97.4 | Very high | 94.6 | Very high | 105 Ų | 105 | 70.5 Ų | 70.5 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 151.8 | -178 | -167.9 | 169.9 | 5.2 | 0 | 0 | 111.4 | T39 V40 L52 | T39-Q50 WeakPolarHBondContact CA-O 3.36Å; V40-Q50 HydrophobicContact CB-CB 4.09Å; V40-Q50 HydrophobicContact CG2-CB 4.18Å; V40-Q50 PolarHBondContact N-O 2.93Å; V40-Q50 PolarHBondContact O-N 3.45Å; Q50-L52 HydrophobicContact CG-CD1 3.92Å; Q50-L52 HydrophobicContact CG-CG 4.34Å |
| 51 | T | 96.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 74.6 Ų | 74.6 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.8 | 165.4 | -59.8 | 0 | 0 | 0 | 0 | 107.6 | F37 I38 T39 Q48 | F37-T51 HydrophobicContact CB-CG2 3.96Å; F37-T51 HydrophobicContact CD1-CG2 3.62Å; F37-T51 HydrophobicContact CE1-CG2 4.35Å; F37-T51 HydrophobicContact CG-CG2 3.88Å; I38-T51 CarbonylContact O-C 3.57Å; I38-T51 WeakPolarHBondContact O-CA 3.4Å; T39-T51 HydrophobicContact CG2-CG2 4.25Å; Q48-T51 PolarHBondContact NE2-OG1 2.94Å |
| 52 | L | 95.8 | Very high | 94.3 | Very high | 134 Ų | 134 | 81.2 Ų | 81.2 | 70% | 0.702 | 41% | 0.405 | S | S | * | . | trans | -121.2 | 0 | 171.4 | -59.5 | 101.2 | 0 | 0 | 0 | 109.8 | F37 I38 Q50 | F37-L52 WeakPolarHBondContact CA-O 3.34Å; I38-L52 HydrophobicContact CB-CB 4.43Å; I38-L52 HydrophobicContact CB-CD1 4.48Å; I38-L52 HydrophobicContact CG2-CD1 4.44Å; I38-L52 PolarHBondContact N-O 2.84Å; I38-L52 PolarHBondContact O-N 2.76Å; Q50-L52 HydrophobicContact CG-CD1 3.92Å; Q50-L52 HydrophobicContact CG-CG 4.34Å |
Retrieved 52 of 52 residues in 69.6 ms
(Link to these results)