| 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 | 41 | Very low | 43.5 | Very low | 185 Ų | 185 | 96.6 Ų | 96.6 | 91% | 0.911 | 49% | 0.486 | S | S | * | . | 0 | 125.8 | 0 | -164 | 166.5 | 174.9 | 0 | 0 | 106.5 | T13 | M1-T13 HydrophobicContact CE-CG2 3.58Å; M1-T13 HydrophobicContact CG-CG2 4.32Å | |||
| 2 | V | 43.6 | Very low | 43.8 | Very low | 11 Ų | 11 | 96.2 Ų | 96.2 | 7% | 0.067 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 120 | -176 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | F14 Y24 | V2-F14 PolarHBondContact N-O 3.46Å; V2-F14 PolarHBondContact O-N 2.69Å; V2-Y24 HydrophobicContact CB-CE1 4.43Å |
| 3 | T | 42.8 | Very low | 44.1 | Very low | 45 Ų | 45 | 93.8 Ų | 93.8 | 28% | 0.276 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.5 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 108.6 | Y5 T11 | T3-Y5 HydrophobicContact CG2-CE2 4.06Å; T3-T11 HydrophobicContact CG2-CG2 4.13Å |
| 4 | M | 48.4 | Very low | 44.6 | Very low | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.005 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.4 | 176.1 | -75.4 | 175.9 | 42 | 0 | 0 | 110.8 | R12 F14 Y37 C39 I56 | M4-R12 PolarHBondContact N-O 3.42Å; M4-R12 VanDerWaalsContact O-O 3.06Å; M4-F14 HydrophobicContact CB-CD2 3.83Å; M4-F14 HydrophobicContact CB-CE2 4.06Å; M4-F14 HydrophobicContact CE-CD2 4.07Å; M4-F14 HydrophobicContact CE-CE2 3.81Å; M4-F14 HydrophobicContact CE-CZ 4.43Å; M4-F14 HydrophobicContact CG-CD2 3.98Å; M4-F14 HydrophobicContact SD-CB 4.43Å; M4-F14 HydrophobicContact SD-CD2 3.53Å; M4-F14 VanDerWaalsContact SD-CD2 3.53Å; M4-F14 HydrophobicContact SD-CE2 3.93Å; M4-F14 HydrophobicContact SD-CG 4.06Å; M4-Y37 HydrophobicContact CE-CG 4.48Å; M4-C39 HydrophobicContact CE-CB 4.23Å; M4-C39 WeakPolarHBondContact CE-SG 3.41Å; M4-C39 HydrophobicContact CG-CB 3.71Å; M4-C39 HydrophobicContact SD-CB 3.92Å; M4-C39 PolarHBondContact SD-SG 2.92Å; M4-I56 HydrophobicContact CE-CD1 3.74Å; M4-I56 HydrophobicContact SD-CD1 4.14Å |
| 5 | Y | 41.1 | Very low | 44.5 | Very low | 129 Ų | 129 | 86.9 Ų | 86.9 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 116.7 | 173.8 | -67.6 | -85.6 | 0 | 0 | 0 | 109.6 | T3 T11 | T3-Y5 HydrophobicContact CG2-CE2 4.06Å; Y5-T11 HydrophobicContact CD1-CG2 3.59Å; Y5-T11 HydrophobicContact CE1-CG2 3.64Å; Y5-T11 HydrophobicContact CG-CG2 4.33Å |
| 6 | L | 45.2 | Very low | 44.5 | Very low | 47 Ų | 47 | 86 Ų | 86 | 25% | 0.246 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 118.5 | 174.5 | -76.3 | 143.3 | 0 | 0 | 0 | 108.7 | N8 K9 R12 Y37 | L6-N8 PolarHBondContact O-N 2.95Å; L6-K9 HydrophobicContact CB-CB 4.01Å; L6-K9 PolarHBondContact O-N 3.08Å; L6-K9 VanDerWaalsContact O-O 3.11Å; L6-R12 HydrophobicContact CD1-CB 4.17Å; L6-R12 HydrophobicContact CD1-CG 4.36Å; L6-Y37 HydrophobicContact CD2-CD1 3.74Å; L6-Y37 HydrophobicContact CD2-CE1 4.05Å |
| 7 | F | 36.7 | Very low | 44.3 | Very low | 167 Ų | 167 | 87.5 Ų | 87.5 | 73% | 0.732 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 128.4 | 165.7 | -83.6 | -88.9 | 0 | 0 | 0 | 108.7 | K9 Y40 | F7-K9 PolarHBondContact O-N 3.45Å; F7-Y40 HydrophobicContact CE2-CE2 4.22Å |
| 8 | N | 38.3 | Very low | 44.1 | Very low | 173 Ų | 173 | 85.1 Ų | 85.1 | 93% | 0.925 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 14.7 | -177.8 | -80.8 | -5.1 | 0 | 0 | 0 | 118.2 | L6 | L6-N8 PolarHBondContact O-N 2.95Š|
| 9 | K | 42.2 | Very low | 44.1 | Very low | 127 Ų | 127 | 85.1 Ų | 85.1 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -140.8 | 158.8 | 169 | -77.1 | -160.3 | -179.4 | -176.8 | 0 | 111.7 | L6 F7 T11 | L6-K9 HydrophobicContact CB-CB 4.01Å; L6-K9 PolarHBondContact O-N 3.08Å; L6-K9 VanDerWaalsContact O-O 3.11Å; F7-K9 PolarHBondContact O-N 3.45Å; K9-T11 PolarHBondContact O-N 2.82Å |
| 10 | P | 48.4 | Very low | 43.6 | Very low | 99 Ų | 99 | 89.4 Ų | 89.4 | 64% | 0.643 | 46% | 0.461 | S | S | * | . | trans | -53.7 | 134.3 | 177.6 | 20 | -32.4 | 0 | 0 | 0 | 110.9 | R12 | P10-R12 PolarHBondContact O-N 3.31Š| ||
| 11 | T | 50.5 | Low | 43.2 | Very low | 79 Ų | 79 | 95.2 Ų | 95.2 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | trans | -50.7 | 122.6 | 175.3 | -47.8 | 0 | 0 | 0 | 0 | 109.5 | T3 Y5 K9 | T3-T11 HydrophobicContact CG2-CG2 4.13Å; Y5-T11 HydrophobicContact CD1-CG2 3.59Å; Y5-T11 HydrophobicContact CE1-CG2 3.64Å; Y5-T11 HydrophobicContact CG-CG2 4.33Å; K9-T11 PolarHBondContact O-N 2.82Å | ||
| 12 | R | 47.4 | Very low | 43.3 | Very low | 91 Ų | 91 | 89.7 Ų | 89.7 | 34% | 0.343 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.9 | 178 | -74.5 | -151.3 | 174 | -173.7 | 0.4 | 110.8 | M4 L6 P10 F14 S28 | M4-R12 PolarHBondContact N-O 3.42Å; M4-R12 VanDerWaalsContact O-O 3.06Å; L6-R12 HydrophobicContact CD1-CB 4.17Å; L6-R12 HydrophobicContact CD1-CG 4.36Å; P10-R12 PolarHBondContact O-N 3.31Å; R12-F14 HydrophobicContact CB-CE2 3.78Å; R12-F14 HydrophobicContact CB-CZ 4.18Å; R12-F14 WeakPolarHBondContact O-CD2 3.33Å; R12-S28 VanDerWaalsContact CZ-OG 3.3Å; R12-S28 PolarHBondContact NH1-O 3.46Å; R12-S28 PolarHBondContact NH1-OG 3.43Å |
| 13 | T | 47.7 | Very low | 43 | Very low | 66 Ų | 66 | 91.8 Ų | 91.8 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.4 | -179.5 | -39.4 | 0 | 0 | 0 | 0 | 109.2 | M1 | M1-T13 HydrophobicContact CE-CG2 3.58Å; M1-T13 HydrophobicContact CG-CG2 4.32Å |
| 14 | F | 50.8 | Low | 43.3 | Very low | 13 Ų | 13 | 90.8 Ų | 90.8 | 6% | 0.057 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.2 | 178.1 | -65.9 | -93.7 | 0 | 0 | 0 | 109.7 | V2 M4 R12 Y24 N26 | V2-F14 PolarHBondContact N-O 3.46Å; V2-F14 PolarHBondContact O-N 2.69Å; M4-F14 HydrophobicContact CB-CD2 3.83Å; M4-F14 HydrophobicContact CB-CE2 4.06Å; M4-F14 HydrophobicContact CE-CD2 4.07Å; M4-F14 HydrophobicContact CE-CE2 3.81Å; M4-F14 HydrophobicContact CE-CZ 4.43Å; M4-F14 HydrophobicContact CG-CD2 3.98Å; M4-F14 HydrophobicContact SD-CB 4.43Å; M4-F14 HydrophobicContact SD-CD2 3.53Å; M4-F14 VanDerWaalsContact SD-CD2 3.53Å; M4-F14 HydrophobicContact SD-CE2 3.93Å; M4-F14 HydrophobicContact SD-CG 4.06Å; R12-F14 HydrophobicContact CB-CE2 3.78Å; R12-F14 HydrophobicContact CB-CZ 4.18Å; R12-F14 WeakPolarHBondContact O-CD2 3.33Å; F14-Y24 HydrophobicContact CB-CD1 3.86Å; F14-Y24 HydrophobicContact CB-CG 4.36Å; F14-N26 HydrophobicContact CE1-CB 4Å |
| 15 | T | 43.3 | Very low | 42.9 | Very low | 71 Ų | 71 | 93.3 Ų | 93.3 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.2 | 173.9 | -52.1 | 0 | 0 | 0 | 0 | 108 | L17 | T15-L17 PolarHBondContact O-N 3.36Å |
| 16 | M | 44.7 | Very low | 43.2 | Very low | 72 Ų | 72 | 89.9 Ų | 89.9 | 36% | 0.355 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 119.6 | 179.8 | -175.7 | -177.9 | 77.4 | 0 | 0 | 109.7 | S18 K22 Y24 | M16-S18 WeakPolarHBondContact CG-O 3.44Å; M16-K22 HydrophobicContact CG-CB 4.41Å; M16-K22 HydrophobicContact CG-CD 4.32Å; M16-K22 HydrophobicContact CG-CG 4.04Å; M16-K22 HydrophobicContact SD-CD 3.7Å; M16-K22 HydrophobicContact SD-CG 3.76Å; M16-Y24 HydrophobicContact CB-CE1 4.27Å; M16-Y24 HydrophobicContact CG-CE1 4.47Å |
| 17 | L | 41.6 | Very low | 43.1 | Very low | 111 Ų | 111 | 92.9 Ų | 92.9 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -85.3 | -23.5 | -177.4 | -65.8 | 174.7 | 0 | 0 | 0 | 113.5 | T15 A23 | T15-L17 PolarHBondContact O-N 3.36Å; L17-A23 HydrophobicContact CB-CB 4.49Å; L17-A23 WeakPolarHBondContact CB-O 2.96Å; L17-A23 PolarHBondContact N-O 3.24Å |
| 18 | S | 40 | Very low | 43.3 | Very low | 45 Ų | 45 | 87.2 Ų | 87.2 | 32% | 0.315 | 47% | 0.467 | S | S | . | . | trans | -153 | 150.3 | 171.5 | 112.2 | 0 | 0 | 0 | 0 | 112.2 | M16 W21 K22 | M16-S18 WeakPolarHBondContact CG-O 3.44Å; S18-W21 WeakPolarHBondContact CB-O 2.98Å; S18-W21 CarbonylContact O-C 3.51Å; S18-W21 VanDerWaalsContact O-O 3.13Å; S18-W21 PolarHBondContact OG-N 3.34Å; S18-W21 PolarHBondContact OG-O 2.96Å; S18-K22 WeakPolarHBondContact O-CA 3.44Å | ||
| 19 | S | 43.8 | Very low | 43.3 | Very low | 84 Ų | 84 | 85.9 Ų | 85.9 | 59% | 0.587 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -81 | -27.4 | -179.3 | 47.9 | 0 | 0 | 0 | 0 | 114 | ||
| 20 | H | 33.8 | Very low | 43.1 | Very low | 171 Ų | 171 | 88.5 Ų | 88.5 | 79% | 0.792 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -90.7 | -28 | -177.8 | -71 | -98.4 | 0 | 0 | 0 | 112.6 | ||
| 21 | W | 35.1 | Very low | 42.8 | Very low | 212 Ų | 212 | 88.8 Ų | 88.8 | 80% | 0.803 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -133.6 | 97.7 | 173.1 | -61.9 | 77 | 0 | 0 | 0 | 105.2 | S18 A23 | S18-W21 WeakPolarHBondContact CB-O 2.98Å; S18-W21 CarbonylContact O-C 3.51Å; S18-W21 VanDerWaalsContact O-O 3.13Å; S18-W21 PolarHBondContact OG-N 3.34Å; S18-W21 PolarHBondContact OG-O 2.96Å; W21-A23 PolarHBondContact O-N 3.4Å |
| 22 | K | 43.7 | Very low | 42.2 | Very low | 69 Ų | 69 | 91.3 Ų | 91.3 | 30% | 0.3 | 48% | 0.481 | S | S | . | . | trans | -70.3 | 74.8 | -180 | -66.8 | -164 | -175.1 | 179.6 | 0 | 109.2 | M16 S18 Y24 D41 | M16-K22 HydrophobicContact CG-CB 4.41Å; M16-K22 HydrophobicContact CG-CD 4.32Å; M16-K22 HydrophobicContact CG-CG 4.04Å; M16-K22 HydrophobicContact SD-CD 3.7Å; M16-K22 HydrophobicContact SD-CG 3.76Å; S18-K22 WeakPolarHBondContact O-CA 3.44Å; K22-Y24 HydrophobicContact CB-CD2 4.49Å; K22-Y24 HydrophobicContact CB-CE1 4.46Å; K22-Y24 HydrophobicContact CB-CE2 3.7Å; K22-Y24 WeakPolarHBondContact CD-OH 3.12Å; K22-Y24 WeakPolarHBondContact O-CD2 3.4Å; K22-Y24 VanDerWaalsContact O-CE2 3.23Å; K22-Y24 WeakPolarHBondContact O-CE2 3.4Å; K22-D41 IonicContact NZ-OD2 2.85Å; K22-D41 PolarHBondContact NZ-OD2 3.35Å | ||
| 23 | A | 37.5 | Very low | 41.7 | Very low | 55 Ų | 55 | 91.9 Ų | 91.9 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -74.9 | 126.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | L17 W21 | L17-A23 HydrophobicContact CB-CB 4.49Å; L17-A23 WeakPolarHBondContact CB-O 2.96Å; L17-A23 PolarHBondContact N-O 3.24Å; W21-A23 PolarHBondContact O-N 3.4Å | ||
| 24 | Y | 48.3 | Very low | 41.6 | Very low | 24 Ų | 24 | 94.2 Ų | 94.2 | 9% | 0.094 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.9 | 178.7 | -60.1 | -83.8 | 0 | 0 | 0 | 106.9 | V2 F14 M16 K22 I56 | V2-Y24 HydrophobicContact CB-CE1 4.43Å; F14-Y24 HydrophobicContact CB-CD1 3.86Å; F14-Y24 HydrophobicContact CB-CG 4.36Å; M16-Y24 HydrophobicContact CB-CE1 4.27Å; M16-Y24 HydrophobicContact CG-CE1 4.47Å; K22-Y24 HydrophobicContact CB-CD2 4.49Å; K22-Y24 HydrophobicContact CB-CE1 4.46Å; K22-Y24 HydrophobicContact CB-CE2 3.7Å; K22-Y24 WeakPolarHBondContact CD-OH 3.12Å; K22-Y24 WeakPolarHBondContact O-CD2 3.4Å; K22-Y24 VanDerWaalsContact O-CE2 3.23Å; K22-Y24 WeakPolarHBondContact O-CE2 3.4Å; Y24-I56 HydrophobicContact CD2-CD1 4.33Å |
| 25 | S | 39.9 | Very low | 41.2 | Very low | 55 Ų | 55 | 99.7 Ų | 99.7 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.9 | 167.3 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | V27 | S25-V27 PolarHBondContact O-N 3.3Å |
| 26 | N | 48 | Very low | 41.3 | Very low | 57 Ų | 57 | 100.3 Ų | 100.3 | 31% | 0.305 | 54% | 0.535 | S | S | . | . | trans | -69.8 | 121.5 | 172.7 | -159.9 | -0.8 | 0 | 0 | 0 | 108.4 | F14 S28 | F14-N26 HydrophobicContact CE1-CB 4Å; N26-S28 PolarHBondContact O-N 3.47Å | ||
| 27 | V | 44.2 | Very low | 41.5 | Very low | 110 Ų | 110 | 98.7 Ų | 98.7 | 67% | 0.667 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -84.2 | 10.4 | -175.5 | -154.4 | 0 | 0 | 0 | 0 | 111.9 | S25 | S25-V27 PolarHBondContact O-N 3.3Š|
| 28 | S | 41.1 | Very low | 41.5 | Very low | 47 Ų | 47 | 98.3 Ų | 98.3 | 33% | 0.329 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -149.7 | 119.2 | -177.6 | 33 | 0 | 0 | 0 | 0 | 111.6 | R12 N26 | R12-S28 VanDerWaalsContact CZ-OG 3.3Å; R12-S28 PolarHBondContact NH1-O 3.46Å; R12-S28 PolarHBondContact NH1-OG 3.43Å; N26-S28 PolarHBondContact O-N 3.47Å |
| 29 | D | 38 | Very low | 41.8 | Very low | 145 Ų | 145 | 96.3 Ų | 96.3 | 78% | 0.775 | 51% | 0.505 | S | S | * | . | trans | -15.3 | 147.7 | -177.1 | -66.6 | -74 | 0 | 0 | 0 | 121.2 | ||||
| 30 | E | 36.8 | Very low | 41.7 | Very low | 183 Ų | 183 | 95.8 Ų | 95.8 | 86% | 0.855 | 49% | 0.491 | S | S | * | . | trans | 35.6 | 93.8 | 160.2 | -68.4 | -178 | 114 | 0 | 0 | 117.2 | ||||
| 31 | F | 43.1 | Very low | 42.2 | Very low | 104 Ų | 104 | 89.5 Ų | 89.5 | 46% | 0.456 | 46% | 0.463 | S | S | . | . | trans | -143.8 | 97.6 | 151.6 | -138.5 | -93.5 | 0 | 0 | 0 | 111.5 | L33 Y35 | F31-L33 PolarHBondContact O-N 2.63Å; F31-Y35 HydrophobicContact CE1-CD2 4.49Å; F31-Y35 HydrophobicContact CE1-CE2 4.04Å | ||
| 32 | T | 37 | Very low | 42.6 | Very low | 132 Ų | 132 | 83.2 Ų | 83.2 | 81% | 0.81 | 46% | 0.456 | S | S | * | . | trans | -68.9 | 112.9 | 158.8 | 3.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 33 | L | 36.5 | Very low | 42.5 | Very low | 104 Ų | 104 | 85.4 Ų | 85.4 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 165.4 | 145.2 | 145.9 | -87.7 | 159.1 | 0 | 0 | 0 | 109.9 | F31 Y35 | F31-L33 PolarHBondContact O-N 2.63Å; L33-Y35 HydrophobicContact CB-CD2 3.95Å; L33-Y35 HydrophobicContact CB-CE2 3.55Å; L33-Y35 HydrophobicContact CD1-CE2 4.21Å; L33-Y35 HydrophobicContact CG-CE2 4.5Å; L33-Y35 PolarHBondContact O-N 3.04Å; L33-Y35 VanDerWaalsContact O-N 3.08Å |
| 34 | P | 46.2 | Very low | 42.8 | Very low | 114 Ų | 114 | 85 Ų | 85 | 74% | 0.74 | 47% | 0.473 | S | S | * | . | trans | -82.3 | 92.4 | -174.4 | 33.9 | -31 | 0 | 0 | 0 | 109.6 | ||||
| 35 | Y | 43.5 | Very low | 42.6 | Very low | 129 Ų | 129 | 89.6 Ų | 89.6 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | trans | -98.6 | 137.7 | 170.6 | -72.7 | -80.7 | 0 | 0 | 0 | 110.3 | F31 L33 Y37 | F31-Y35 HydrophobicContact CE1-CD2 4.49Å; F31-Y35 HydrophobicContact CE1-CE2 4.04Å; L33-Y35 HydrophobicContact CB-CD2 3.95Å; L33-Y35 HydrophobicContact CB-CE2 3.55Å; L33-Y35 HydrophobicContact CD1-CE2 4.21Å; L33-Y35 HydrophobicContact CG-CE2 4.5Å; L33-Y35 PolarHBondContact O-N 3.04Å; L33-Y35 VanDerWaalsContact O-N 3.08Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.17Å; Y35-Y37 WeakPolarHBondContact O-CE2 3.15Å | ||
| 36 | S | 43.6 | Very low | 42.6 | Very low | 84 Ų | 84 | 92.8 Ų | 92.8 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 126.4 | 166.6 | -64.6 | 0 | 0 | 0 | 0 | 108.6 | N55 | S36-N55 WeakPolarHBondContact CB-OD1 3.23Å; S36-N55 PolarHBondContact OG-OD1 2.71Å |
| 37 | Y | 49.3 | Very low | 42.3 | Very low | 38 Ų | 38 | 99.6 Ų | 99.6 | 15% | 0.149 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 131 | -178 | -60 | -86.8 | 0 | 0 | 0 | 109.6 | M4 L6 Y35 Y54 I56 | M4-Y37 HydrophobicContact CE-CG 4.48Å; L6-Y37 HydrophobicContact CD2-CD1 3.74Å; L6-Y37 HydrophobicContact CD2-CE1 4.05Å; Y35-Y37 WeakPolarHBondContact O-CD2 3.17Å; Y35-Y37 WeakPolarHBondContact O-CE2 3.15Å; Y37-Y54 PolarHBondContact N-O 3.02Å; Y37-Y54 CarbonylContact O-C 3.37Å; Y37-Y54 PolarHBondContact O-N 3.26Å; Y37-I56 HydrophobicContact CD2-CB 3.54Å; Y37-I56 HydrophobicContact CD2-CD1 3.65Å; Y37-I56 HydrophobicContact CD2-CG1 3.67Å; Y37-I56 HydrophobicContact CE2-CB 3.86Å; Y37-I56 HydrophobicContact CE2-CD1 4.4Å; Y37-I56 HydrophobicContact CE2-CG1 4.44Å; Y37-I56 HydrophobicContact CG-CD1 3.88Å; Y37-I56 HydrophobicContact CG-CG1 4.29Å |
| 38 | K | 41.7 | Very low | 42.2 | Very low | 102 Ų | 102 | 101 Ų | 101 | 44% | 0.443 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 124 | 167.5 | -74 | -168.6 | 168.9 | -159.9 | 0 | 108.3 | E51 T53 | K38-E51 IonicContact NZ-OE1 2.83Å; K38-E51 PolarHBondContact NZ-OE1 3.31Å; K38-T53 HydrophobicContact CG-CG2 4.46Å |
| 39 | C | 47.7 | Very low | 42.2 | Very low | 3 Ų | 3 | 102.1 Ų | 102.1 | 2% | 0.02 | 56% | 0.562 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.5 | -177.7 | -42.6 | 0 | 0 | 0 | 0 | 108.5 | M4 L52 Y54 | M4-C39 HydrophobicContact CE-CB 4.23Å; M4-C39 WeakPolarHBondContact CE-SG 3.41Å; M4-C39 HydrophobicContact CG-CB 3.71Å; M4-C39 HydrophobicContact SD-CB 3.92Å; M4-C39 PolarHBondContact SD-SG 2.92Å; C39-L52 PolarHBondContact N-O 2.95Å; C39-L52 VanDerWaalsContact O-O 3.14Å; C39-Y54 HydrophobicContact CB-CD2 3.42Å; C39-Y54 VanDerWaalsContact CB-CD2 3.42Å; C39-Y54 HydrophobicContact CB-CE2 3.61Å; C39-Y54 WeakPolarHBondContact SG-CD2 3.41Å |
| 40 | Y | 41.6 | Very low | 42.2 | Very low | 74 Ų | 74 | 98.2 Ų | 98.2 | 29% | 0.29 | 55% | 0.55 | S | S | . | * | trans | -106.2 | 121.3 | 175.7 | -63.3 | -84.7 | 0 | 0 | 0 | 108.3 | F7 A42 E51 | F7-Y40 HydrophobicContact CE2-CE2 4.22Å; Y40-A42 PolarHBondContact O-N 3.34Å; Y40-E51 HydrophobicContact CE1-CG 4.23Å | ||
| 41 | D | 43 | Very low | 42.4 | Very low | 39 Ų | 39 | 95.2 Ų | 95.2 | 21% | 0.209 | 54% | 0.536 | C | S | . | . | trans | -80.9 | 104.6 | 178.3 | -161.4 | -22.6 | 0 | 0 | 0 | 109.4 | K22 C43 S44 | K22-D41 IonicContact NZ-OD2 2.85Å; K22-D41 PolarHBondContact NZ-OD2 3.35Å; D41-C43 PolarHBondContact O-N 2.85Å; D41-C43 VanDerWaalsContact O-N 3.13Å; D41-C43 VanDerWaalsContact OD1-CB 3.31Å; D41-C43 WeakPolarHBondContact OD1-CB 3.39Å; D41-C43 PolarHBondContact OD1-N 3.32Å; D41-S44 PolarHBondContact O-N 2.67Å | ||
| 42 | A | 44.5 | Very low | 42.3 | Very low | 79 Ų | 79 | 93.7 Ų | 93.7 | 65% | 0.653 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -7.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y40 S44 | Y40-A42 PolarHBondContact O-N 3.34Å; A42-S44 VanDerWaalsContact C-N 3.33Å |
| 43 | C | 41.6 | Very low | 42.5 | Very low | 115 Ų | 115 | 91.4 Ų | 91.4 | 78% | 0.777 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11.1 | 175.5 | -115.5 | 0 | 0 | 0 | 0 | 113.7 | D41 S45 | D41-C43 PolarHBondContact O-N 2.85Å; D41-C43 VanDerWaalsContact O-N 3.13Å; D41-C43 VanDerWaalsContact OD1-CB 3.31Å; D41-C43 WeakPolarHBondContact OD1-CB 3.39Å; D41-C43 PolarHBondContact OD1-N 3.32Å; C43-S45 PolarHBondContact O-N 3.22Å |
| 44 | S | 42.6 | Very low | 43 | Very low | 48 Ų | 48 | 88.8 Ų | 88.8 | 34% | 0.336 | 50% | 0.502 | S | S | . | . | trans | -91 | 86.7 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 110 | D41 A42 N46 | D41-S44 PolarHBondContact O-N 2.67Å; A42-S44 VanDerWaalsContact C-N 3.33Å; S44-N46 PolarHBondContact O-N 2.83Å; S44-N46 PolarHBondContact OG-O 3.03Å | ||
| 45 | S | 44.3 | Very low | 42.6 | Very low | 119 Ų | 119 | 89.2 Ų | 89.2 | 83% | 0.832 | 50% | 0.498 | S | S | * | . | trans | -69.2 | 17.5 | 163.8 | -46.7 | 0 | 0 | 0 | 0 | 113.1 | C43 | C43-S45 PolarHBondContact O-N 3.22Š| ||
| 46 | N | 40.2 | Very low | 42.8 | Very low | 122 Ų | 122 | 84.1 Ų | 84.1 | 65% | 0.652 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -102.4 | 139.8 | 170 | -86.1 | -5.6 | 0 | 0 | 0 | 109 | S44 N48 S49 | S44-N46 PolarHBondContact O-N 2.83Å; S44-N46 PolarHBondContact OG-O 3.03Å; N46-N48 CarbonylContact O-C 3.59Å; N46-N48 PolarHBondContact O-N 3.13Å; N46-S49 PolarHBondContact O-N 3.29Å; N46-S49 VanDerWaalsContact O-N 3.13Å |
| 47 | E | 42.5 | Very low | 42.5 | Very low | 201 Ų | 201 | 87.5 Ų | 87.5 | 94% | 0.939 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -54.3 | -4.3 | 176.2 | -58.4 | 175.6 | 139.2 | 0 | 0 | 113.8 | ||
| 48 | N | 40.7 | Very low | 41.9 | Very low | 139 Ų | 139 | 89.6 Ų | 89.6 | 74% | 0.743 | 50% | 0.504 | S | S | * | . | trans | -96.8 | 52.1 | 165.6 | -71.5 | -23.4 | 0 | 0 | 0 | 111.7 | N46 A50 | N46-N48 CarbonylContact O-C 3.59Å; N46-N48 PolarHBondContact O-N 3.13Å; N48-A50 PolarHBondContact O-N 3.26Å | ||
| 49 | S | 41.7 | Very low | 41.9 | Very low | 70 Ų | 70 | 96.9 Ų | 96.9 | 49% | 0.49 | 54% | 0.536 | S | S | . | . | trans | -67.3 | 77.9 | 163.3 | 32.7 | 0 | 0 | 0 | 0 | 107.6 | N46 E51 | N46-S49 PolarHBondContact O-N 3.29Å; N46-S49 VanDerWaalsContact O-N 3.13Å; S49-E51 PolarHBondContact O-N 2.72Å; S49-E51 VanDerWaalsContact O-N 3.11Å | ||
| 50 | A | 38.2 | Very low | 41.7 | Very low | 63 Ų | 63 | 101.6 Ų | 101.6 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | trans | -49.5 | 122.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | N48 L52 | N48-A50 PolarHBondContact O-N 3.26Å; A50-L52 HydrophobicContact CB-CG 4.33Å; A50-L52 WeakPolarHBondContact O-CG 3.48Å; A50-L52 PolarHBondContact O-N 3.11Å | ||
| 51 | E | 40.3 | Very low | 41.7 | Very low | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | trans | -57 | 90.7 | 170.6 | -90 | -169 | 106.2 | 0 | 0 | 108 | K38 Y40 S49 T53 | K38-E51 IonicContact NZ-OE1 2.83Å; K38-E51 PolarHBondContact NZ-OE1 3.31Å; Y40-E51 HydrophobicContact CE1-CG 4.23Å; S49-E51 PolarHBondContact O-N 2.72Å; S49-E51 VanDerWaalsContact O-N 3.11Å; E51-T53 PolarHBondContact O-N 3.33Å | ||
| 52 | L | 40.7 | Very low | 41.6 | Very low | 73 Ų | 73 | 106.6 Ų | 106.6 | 38% | 0.382 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 100.5 | 177.6 | -73.7 | 153.5 | 0 | 0 | 0 | 106.2 | C39 A50 Y54 | C39-L52 PolarHBondContact N-O 2.95Å; C39-L52 VanDerWaalsContact O-O 3.14Å; A50-L52 HydrophobicContact CB-CG 4.33Å; A50-L52 WeakPolarHBondContact O-CG 3.48Å; A50-L52 PolarHBondContact O-N 3.11Å; L52-Y54 HydrophobicContact CB-CD2 4.07Å; L52-Y54 HydrophobicContact CB-CE1 4.36Å; L52-Y54 HydrophobicContact CB-CE2 3.28Å; L52-Y54 VanDerWaalsContact CB-CZ 3.47Å; L52-Y54 WeakPolarHBondContact CB-OH 3.31Å; L52-Y54 WeakPolarHBondContact CD1-OH 3.43Å; L52-Y54 HydrophobicContact CG-CE2 4.47Å; L52-Y54 WeakPolarHBondContact O-CD2 3.38Å; L52-Y54 WeakPolarHBondContact O-CE2 3.11Å |
| 53 | T | 41.7 | Very low | 41.4 | Very low | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.4 | 115.4 | 171.4 | -58.5 | 0 | 0 | 0 | 0 | 107.5 | K38 E51 | K38-T53 HydrophobicContact CG-CG2 4.46Å; E51-T53 PolarHBondContact O-N 3.33Å |
| 54 | Y | 46.7 | Very low | 41.4 | Very low | 49 Ų | 49 | 107.8 Ų | 107.8 | 19% | 0.192 | 58% | 0.582 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.4 | -179.4 | -62.3 | -86.7 | 0 | 0 | 0 | 110 | Y37 C39 L52 I56 | Y37-Y54 PolarHBondContact N-O 3.02Å; Y37-Y54 CarbonylContact O-C 3.37Å; Y37-Y54 PolarHBondContact O-N 3.26Å; C39-Y54 HydrophobicContact CB-CD2 3.42Å; C39-Y54 VanDerWaalsContact CB-CD2 3.42Å; C39-Y54 HydrophobicContact CB-CE2 3.61Å; C39-Y54 WeakPolarHBondContact SG-CD2 3.41Å; L52-Y54 HydrophobicContact CB-CD2 4.07Å; L52-Y54 HydrophobicContact CB-CE1 4.36Å; L52-Y54 HydrophobicContact CB-CE2 3.28Å; L52-Y54 VanDerWaalsContact CB-CZ 3.47Å; L52-Y54 WeakPolarHBondContact CB-OH 3.31Å; L52-Y54 WeakPolarHBondContact CD1-OH 3.43Å; L52-Y54 HydrophobicContact CG-CE2 4.47Å; L52-Y54 WeakPolarHBondContact O-CD2 3.38Å; L52-Y54 WeakPolarHBondContact O-CE2 3.11Å; Y54-I56 PolarHBondContact O-N 2.79Å |
| 55 | N | 39.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 65% | 0.652 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 99.3 | 164.4 | -71.2 | -38.4 | 0 | 0 | 0 | 107.5 | S36 M57 | S36-N55 WeakPolarHBondContact CB-OD1 3.23Å; S36-N55 PolarHBondContact OG-OD1 2.71Å; N55-M57 PolarHBondContact O-N 3.13Å |
| 56 | I | 47.6 | Very low | 41.1 | Very low | 22 Ų | 22 | 111.2 Ų | 111.2 | 11% | 0.113 | 58% | 0.581 | C | S | . | * | trans | -84.7 | 111.6 | 175.3 | -53.1 | 178.7 | 0 | 0 | 0 | 106.8 | M4 Y24 Y37 Y54 V58 | M4-I56 HydrophobicContact CE-CD1 3.74Å; M4-I56 HydrophobicContact SD-CD1 4.14Å; Y24-I56 HydrophobicContact CD2-CD1 4.33Å; Y37-I56 HydrophobicContact CD2-CB 3.54Å; Y37-I56 HydrophobicContact CD2-CD1 3.65Å; Y37-I56 HydrophobicContact CD2-CG1 3.67Å; Y37-I56 HydrophobicContact CE2-CB 3.86Å; Y37-I56 HydrophobicContact CE2-CD1 4.4Å; Y37-I56 HydrophobicContact CE2-CG1 4.44Å; Y37-I56 HydrophobicContact CG-CD1 3.88Å; Y37-I56 HydrophobicContact CG-CG1 4.29Å; Y54-I56 PolarHBondContact O-N 2.79Å; I56-V58 HydrophobicContact CG2-CG2 4.09Å | ||
| 57 | M | 36.3 | Very low | 41.2 | Very low | 155 Ų | 155 | 110.4 Ų | 110.4 | 76% | 0.764 | 58% | 0.576 | S | S | * | * | trans | -83.7 | 119.5 | 164.2 | -83.6 | -177.4 | -85.4 | 0 | 0 | 108.3 | N55 | N55-M57 PolarHBondContact O-N 3.13Š| ||
| 58 | V | 37.8 | Very low | 41.1 | Very low | 82 Ų | 82 | 102.8 Ų | 102.8 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | trans | -98.9 | 125.4 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | I56 | I56-V58 HydrophobicContact CG2-CG2 4.09Š| ||
| 59 | F | 41.7 | Very low | 41.1 | Very low | 255 Ų | 255 | 99.5 Ų | 99.5 | 100% | 1.118 | 53% | 0.528 | S | S | * | . | trans | -95.3 | 0 | 175 | -67.1 | -82 | 0 | 0 | 0 | 110.8 |
Retrieved 59 of 59 residues in 55 ms
(Link to these results)