| 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 | 44.6 | Very low | 58.7 | Low | 239 Ų | 239 | 148.3 Ų | 148.3 | 100% | 1.177 | 85% | 0.847 | S | S | * | * | 0 | 97.2 | 0 | -67.1 | -72 | -134.9 | 0 | 0 | 107.6 | |||||
| 2 | S | 48.8 | Very low | 60 | Low | 127 Ų | 127 | 146.1 Ų | 146.1 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | trans | -89.8 | 112.3 | -177.4 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | G4 | S2-G4 PolarHBondContact O-N 3.19Š| ||
| 3 | T | 59 | Low | 61.4 | Low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -81.6 | 97.1 | 175.3 | 49.5 | 0 | 0 | 0 | 0 | 109 | T5 | T3-T5 PolarHBondContact O-N 3.26Š| ||
| 4 | G | 49.3 | Very low | 62.8 | Low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | trans | -67.7 | 108.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S2 K6 | S2-G4 PolarHBondContact O-N 3.19Å; G4-K6 PolarHBondContact O-N 3.11Å; G4-K6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | T | 62.2 | Low | 63.9 | Low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -70.9 | 103.4 | 169.5 | 51.6 | 0 | 0 | 0 | 0 | 109 | T3 Q7 | T3-T5 PolarHBondContact O-N 3.26Å; T5-Q7 PolarHBondContact O-N 3.17Å; T5-Q7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | K | 61.3 | Low | 64.7 | Low | 198 Ų | 198 | 134.2 Ų | 134.2 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -67.8 | 106.9 | 170.1 | -71.6 | -173.7 | 177.7 | -174.4 | 0 | 108.4 | G4 V8 | G4-K6 PolarHBondContact O-N 3.11Å; G4-K6 VanDerWaalsContact O-N 3.17Å; K6-V8 PolarHBondContact O-N 3.23Å | ||
| 7 | Q | 60 | Low | 65.6 | Low | 180 Ų | 180 | 131.4 Ų | 131.4 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | -62.1 | 106.1 | 167.2 | -82.1 | 177.9 | -3.8 | 0 | 0 | 108.8 | T5 K9 | T5-Q7 PolarHBondContact O-N 3.17Å; T5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-K9 PolarHBondContact O-N 3.03Å | ||
| 8 | V | 62.4 | Low | 65.9 | Low | 140 Ų | 140 | 125.8 Ų | 125.8 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -70.8 | 108.1 | 167.2 | -98.5 | 0 | 0 | 0 | 0 | 107.7 | K6 S10 | K6-V8 PolarHBondContact O-N 3.23Å; V8-S10 PolarHBondContact O-N 3.2Å | ||
| 9 | K | 66 | Low | 66.2 | Low | 192 Ų | 192 | 124.9 Ų | 124.9 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -66.9 | 113.3 | 168.7 | -63.8 | -176.8 | -179.3 | -178.5 | 0 | 107.2 | Q7 C11 | Q7-K9 PolarHBondContact O-N 3.03Å; K9-C11 PolarHBondContact O-N 3.21Å | ||
| 10 | S | 66.1 | Low | 66.5 | Low | 115 Ų | 115 | 119.7 Ų | 119.7 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -68.9 | 111.5 | 175.3 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | V8 | V8-S10 PolarHBondContact O-N 3.2Š| ||
| 11 | C | 66.3 | Low | 66.7 | Low | 114 Ų | 114 | 123.5 Ų | 123.5 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -68 | 133.8 | 168.6 | -63.6 | 0 | 0 | 0 | 0 | 108.9 | K9 I13 | K9-C11 PolarHBondContact O-N 3.21Å; C11-I13 PolarHBondContact O-N 3.35Å |
| 12 | P | 74.1 | Confident | 67.9 | Low | 122 Ų | 122 | 115.5 Ų | 115.5 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.4 | 177.5 | -21 | 31.3 | 0 | 0 | 0 | 110.9 | P14 | P12-P14 WeakPolarHBondContact O-CD 3.48Š|
| 13 | I | 78.5 | Confident | 68.7 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 51% | 0.513 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 126.2 | 174.2 | -61.5 | 175 | 0 | 0 | 0 | 108.3 | C11 T15 G45 R47 | C11-I13 PolarHBondContact O-N 3.35Å; I13-T15 PolarHBondContact O-N 3.39Å; I13-T15 VanDerWaalsContact O-N 3.08Å; I13-T15 PolarHBondContact O-OG1 3.43Å; I13-T15 VanDerWaalsContact O-OG1 3.08Å; I13-G45 WeakPolarHBondContact CG2-O 3.34Å; I13-R47 HydrophobicContact CG2-CB 4.05Å |
| 14 | P | 81 | Confident | 69.2 | Low | 89 Ų | 89 | 112 Ų | 112 | 58% | 0.578 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 119.5 | 174.5 | -25.5 | 34.5 | 0 | 0 | 0 | 110.4 | P12 R47 | P12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-R47 PolarHBondContact O-N 2.71Å |
| 15 | T | 79.3 | Confident | 70.3 | Confident | 83 Ų | 83 | 113.5 Ų | 113.5 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 127.9 | -175.8 | -60.4 | 0 | 0 | 0 | 0 | 109.4 | I13 R47 I49 | I13-T15 PolarHBondContact O-N 3.39Å; I13-T15 VanDerWaalsContact O-N 3.08Å; I13-T15 PolarHBondContact O-OG1 3.43Å; I13-T15 VanDerWaalsContact O-OG1 3.08Å; T15-R47 WeakPolarHBondContact CA-O 3.2Å; T15-I49 HydrophobicContact CG2-CD1 3.81Å; T15-I49 HydrophobicContact CG2-CG1 4.24Å |
| 16 | K | 77.1 | Confident | 70.9 | Confident | 122 Ų | 122 | 109.2 Ų | 109.2 | 53% | 0.53 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.2 | 173.5 | -168.4 | -179.1 | -177.7 | -171 | 0 | 108.5 | L18 T46 R47 I48 I49 | K16-L18 HydrophobicContact CD-CD2 3.65Å; K16-L18 HydrophobicContact CD-CG 4.44Å; K16-L18 HydrophobicContact CG-CD2 3.92Å; K16-L18 HydrophobicContact CG-CG 4.44Å; K16-T46 HydrophobicContact CB-CG2 3.89Å; K16-R47 PolarHBondContact N-O 3.28Å; K16-I48 WeakPolarHBondContact O-CA 3.03Å; K16-I49 PolarHBondContact O-N 3.17Å |
| 17 | V | 78.6 | Confident | 71.6 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 119.6 | 169.8 | -176 | 0 | 0 | 0 | 0 | 107.2 | ||
| 18 | L | 71.9 | Confident | 72.3 | Confident | 31 Ų | 31 | 101.3 Ų | 101.3 | 16% | 0.162 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 115.8 | -178.7 | -71.3 | -177 | 0 | 0 | 0 | 110.2 | K16 L20 I48 I49 | K16-L18 HydrophobicContact CD-CD2 3.65Å; K16-L18 HydrophobicContact CD-CG 4.44Å; K16-L18 HydrophobicContact CG-CD2 3.92Å; K16-L18 HydrophobicContact CG-CG 4.44Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 HydrophobicContact CB-CD2 3.99Å; L18-L20 HydrophobicContact CB-CG 3.96Å; L18-L20 HydrophobicContact CD1-CD2 4.06Å; L18-L20 PolarHBondContact O-N 3.08Å; L18-I48 HydrophobicContact CB-CG2 4.17Å; L18-I48 HydrophobicContact CD1-CB 4.31Å; L18-I48 HydrophobicContact CD1-CD1 3.91Å; L18-I48 HydrophobicContact CD1-CG1 3.98Å; L18-I48 HydrophobicContact CD1-CG2 3.39Å; L18-I48 HydrophobicContact CG-CG2 3.77Å; L18-I49 PolarHBondContact N-O 2.97Å |
| 19 | T | 71.1 | Confident | 73.1 | Confident | 109 Ų | 109 | 99.5 Ų | 99.5 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | trans | -83.8 | 77.3 | 163.7 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | L | 71.5 | Confident | 74.1 | Confident | 20 Ų | 20 | 96.3 Ų | 96.3 | 11% | 0.105 | 54% | 0.536 | C | S | . | . | trans | -69.4 | 132.5 | 177 | -63.5 | -176.4 | 0 | 0 | 0 | 109.7 | L18 Q25 L26 Y50 F54 | L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 HydrophobicContact CB-CD2 3.99Å; L18-L20 HydrophobicContact CB-CG 3.96Å; L18-L20 HydrophobicContact CD1-CD2 4.06Å; L18-L20 PolarHBondContact O-N 3.08Å; L20-Q25 HydrophobicContact CD1-CB 4.49Å; L20-Q25 HydrophobicContact CD2-CB 3.77Å; L20-L26 HydrophobicContact CD1-CD1 4.23Å; L20-Y50 HydrophobicContact CD1-CD1 3.86Å; L20-Y50 HydrophobicContact CD1-CE1 3.77Å; L20-F54 HydrophobicContact CB-CD1 4.18Å; L20-F54 HydrophobicContact CB-CD2 3.54Å; L20-F54 HydrophobicContact CB-CE1 3.98Å; L20-F54 HydrophobicContact CB-CE2 3.28Å; L20-F54 HydrophobicContact CB-CG 3.97Å; L20-F54 HydrophobicContact CB-CZ 3.52Å; L20-F54 HydrophobicContact CD1-CD1 4.32Å; L20-F54 HydrophobicContact CD1-CE1 3.62Å; L20-F54 HydrophobicContact CD1-CE2 4.26Å; L20-F54 HydrophobicContact CD1-CZ 3.57Å; L20-F54 HydrophobicContact CG-CE1 4.37Å; L20-F54 HydrophobicContact CG-CE2 4.4Å; L20-F54 HydrophobicContact CG-CZ 4.18Å; L20-F54 WeakPolarHBondContact O-CD2 3.35Å | ||
| 21 | K | 72.5 | Confident | 75.1 | Confident | 200 Ų | 200 | 94 Ų | 94 | 87% | 0.87 | 52% | 0.519 | S | S | * | . | trans | -96.5 | -24.9 | 176.4 | -68.8 | -175.5 | 179.4 | -178.8 | 0 | 112.6 | ||||
| 22 | D | 69.3 | Low | 76.1 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -142.7 | 157 | -174.5 | -175.4 | 36.7 | 0 | 0 | 0 | 110.8 | S24 Q25 | D22-S24 PolarHBondContact OD2-OG 3.31Å; D22-Q25 WeakPolarHBondContact O-CB 3.05Å; D22-Q25 PolarHBondContact O-N 3.42Å |
| 23 | W | 64.5 | Low | 76.9 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 31% | 0.311 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -74.9 | -34 | -169.2 | -67.6 | 112.6 | 0 | 0 | 0 | 115.7 | Q25 L26 F54 C58 S61 | W23-Q25 PolarHBondContact O-N 3.08Å; W23-L26 PolarHBondContact O-N 3.46Å; W23-F54 HydrophobicContact CE3-CZ 4.25Å; W23-C58 HydrophobicContact CE3-CB 4.05Å; W23-C58 HydrophobicContact CH2-CB 3.03Å; W23-C58 WeakPolarHBondContact CH2-O 2.9Å; W23-C58 VanDerWaalsContact CH2-SG 3.52Å; W23-C58 HydrophobicContact CZ2-CB 3.68Å; W23-C58 WeakPolarHBondContact CZ2-O 2.78Å; W23-C58 HydrophobicContact CZ3-CB 3.17Å; W23-C58 WeakPolarHBondContact CZ3-SG 3.13Å; W23-S61 WeakPolarHBondContact CH2-OG 3.47Å; W23-S61 WeakPolarHBondContact CZ2-OG 3.42Å |
| 24 | S | 69.9 | Low | 77.5 | Confident | 98 Ų | 98 | 93 Ų | 93 | 69% | 0.685 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -54.9 | -13.6 | 173.3 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | D22 | D22-S24 PolarHBondContact OD2-OG 3.31Š|
| 25 | Q | 72.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 92.2 Ų | 92.2 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -98.6 | -5 | -177.2 | -51.5 | 176.1 | 19.3 | 0 | 0 | 112.8 | L20 D22 W23 | L20-Q25 HydrophobicContact CD1-CB 4.49Å; L20-Q25 HydrophobicContact CD2-CB 3.77Å; D22-Q25 WeakPolarHBondContact O-CB 3.05Å; D22-Q25 PolarHBondContact O-N 3.42Å; W23-Q25 PolarHBondContact O-N 3.08Å |
| 26 | L | 74.2 | Confident | 78.2 | Confident | 39 Ų | 39 | 90 Ų | 90 | 20% | 0.204 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -80.9 | 127.5 | 176.8 | -172.4 | 69.3 | 0 | 0 | 0 | 110 | L20 W23 Y30 Y50 F54 | L20-L26 HydrophobicContact CD1-CD1 4.23Å; W23-L26 PolarHBondContact O-N 3.46Å; L26-Y30 HydrophobicContact CD2-CE1 4.45Å; L26-Y50 HydrophobicContact CD1-CD1 3.63Å; L26-Y50 HydrophobicContact CD1-CE1 3.22Å; L26-Y50 HydrophobicContact CD1-CE2 4.19Å; L26-Y50 HydrophobicContact CD1-CG 4.27Å; L26-F54 HydrophobicContact CB-CZ 4.43Å; L26-F54 HydrophobicContact CD1-CE1 4.07Å |
| 27 | P | 76.1 | Confident | 78.7 | Confident | 43 Ų | 43 | 87.3 Ų | 87.3 | 28% | 0.279 | 50% | 0.501 | S | S | . | . | trans | -64.7 | 147.8 | 173.1 | -20.2 | 33.5 | 0 | 0 | 0 | 112.8 | C29 Y50 | P27-C29 PolarHBondContact O-N 2.82Å; P27-Y50 WeakPolarHBondContact CD-OH 3.43Å; P27-Y50 WeakPolarHBondContact CG-OH 3.47Å | ||
| 28 | D | 75.7 | Confident | 79.1 | Confident | 170 Ų | 170 | 84.2 Ų | 84.2 | 91% | 0.909 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -64.9 | -23.1 | 178.6 | -63.4 | -29 | 0 | 0 | 0 | 113.6 | ||
| 29 | C | 78.5 | Confident | 80 | Confident | 102 Ų | 102 | 84.7 Ų | 84.7 | 69% | 0.689 | 48% | 0.483 | S | S | * | . | trans | -119.6 | 107.6 | -178 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | P27 S40 | P27-C29 PolarHBondContact O-N 2.82Å; C29-S40 WeakPolarHBondContact O-CB 3.4Å | ||
| 30 | Y | 86.7 | Confident | 80.9 | Confident | 125 Ų | 125 | 79.8 Ų | 79.8 | 49% | 0.49 | 45% | 0.453 | S | S | . | . | trans | -131.4 | 169.5 | 175 | 61.7 | -90.3 | 0 | 0 | 0 | 110.9 | L26 L38 | L26-Y30 HydrophobicContact CD2-CE1 4.45Å; Y30-L38 HydrophobicContact CD2-CD2 3.71Å; Y30-L38 HydrophobicContact CD2-CG 4.32Å; Y30-L38 HydrophobicContact CE2-CD2 3.76Å | ||
| 31 | S | 87.6 | Confident | 81.8 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 165.3 | -177.7 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | L38 F39 | S31-L38 CarbonylContact O-C 3.59Å; S31-L38 WeakPolarHBondContact O-CA 3.45Å; S31-F39 PolarHBondContact N-O 2.83Å; S31-F39 PolarHBondContact O-N 3.01Å; S31-F39 VanDerWaalsContact O-O 3.09Å |
| 32 | Q | 87.7 | Confident | 82.6 | Confident | 129 Ų | 129 | 75.6 Ų | 75.6 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.4 | -177 | -178.6 | 171.6 | -24.2 | 0 | 0 | 110.6 | T37 L38 | Q32-T37 WeakPolarHBondContact CA-O 3.32Å; Q32-L38 HydrophobicContact CB-CD1 4.48Å; Q32-L38 HydrophobicContact CG-CD1 4.18Å |
| 33 | T | 89.6 | Confident | 83.5 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 24% | 0.239 | 47% | 0.473 | C | S | . | . | trans | -76 | 158.5 | 171.8 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | G35 G36 T37 F39 | T33-G35 PolarHBondContact O-N 3.09Å; T33-G35 VanDerWaalsContact O-N 3.09Å; T33-G36 PolarHBondContact O-N 2.94Å; T33-T37 PolarHBondContact N-O 3.05Å; T33-T37 WeakPolarHBondContact OG1-CB 3.41Å; T33-T37 PolarHBondContact OG1-N 2.95Å; T33-T37 PolarHBondContact OG1-O 2.79Å; T33-F39 HydrophobicContact CG2-CD1 3.82Å; T33-F39 HydrophobicContact CG2-CE1 3.61Å | ||
| 34 | P | 92.2 | Very high | 84.6 | Confident | 148 Ų | 148 | 78.9 Ų | 78.9 | 96% | 0.961 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.5 | 172.9 | -28.4 | 36 | 0 | 0 | 0 | 113.9 | G36 | P34-G36 PolarHBondContact O-N 2.87Š|
| 35 | G | 88.9 | Confident | 85.4 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 74% | 0.742 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 7.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T33 T37 | T33-G35 PolarHBondContact O-N 3.09Å; T33-G35 VanDerWaalsContact O-N 3.09Å; G35-T37 PolarHBondContact O-N 2.8Å |
| 36 | G | 84.8 | Confident | 86.2 | Confident | 37 Ų | 37 | 73 Ų | 73 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 82.8 | 8.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T33 P34 | T33-G36 PolarHBondContact O-N 2.94Å; P34-G36 PolarHBondContact O-N 2.87Å |
| 37 | T | 88.1 | Confident | 86.9 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | trans | -84 | 123.9 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | Q32 T33 G35 I49 | Q32-T37 WeakPolarHBondContact CA-O 3.32Å; T33-T37 PolarHBondContact N-O 3.05Å; T33-T37 WeakPolarHBondContact OG1-CB 3.41Å; T33-T37 PolarHBondContact OG1-N 2.95Å; T33-T37 PolarHBondContact OG1-O 2.79Å; G35-T37 PolarHBondContact O-N 2.8Å; T37-I49 HydrophobicContact CG2-CG2 3.81Å | ||
| 38 | L | 88.3 | Confident | 87.5 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 12% | 0.115 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 136.8 | 173 | -80.1 | 70.3 | 0 | 0 | 0 | 110.7 | Y30 S31 Q32 Y50 L55 | Y30-L38 HydrophobicContact CD2-CD2 3.71Å; Y30-L38 HydrophobicContact CD2-CG 4.32Å; Y30-L38 HydrophobicContact CE2-CD2 3.76Å; S31-L38 CarbonylContact O-C 3.59Å; S31-L38 WeakPolarHBondContact O-CA 3.45Å; Q32-L38 HydrophobicContact CB-CD1 4.48Å; Q32-L38 HydrophobicContact CG-CD1 4.18Å; L38-Y50 HydrophobicContact CB-CD2 3.87Å; L38-Y50 PolarHBondContact O-N 3.31Å; L38-Y50 VanDerWaalsContact O-N 3.1Å; L38-L55 HydrophobicContact CB-CD1 3.93Å; L38-L55 HydrophobicContact CD1-CD1 3.62Å; L38-L55 HydrophobicContact CD2-CD1 3.76Å; L38-L55 HydrophobicContact CD2-CD2 3.66Å; L38-L55 HydrophobicContact CD2-CG 4.34Å; L38-L55 HydrophobicContact CG-CD1 3.95Å |
| 39 | F | 90.5 | Very high | 88.2 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 18% | 0.18 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 158.9 | 176.5 | 71.1 | -77.6 | 0 | 0 | 0 | 111.1 | S31 T33 R47 I48 | S31-F39 PolarHBondContact N-O 2.83Å; S31-F39 PolarHBondContact O-N 3.01Å; S31-F39 VanDerWaalsContact O-O 3.09Å; T33-F39 HydrophobicContact CG2-CD1 3.82Å; T33-F39 HydrophobicContact CG2-CE1 3.61Å; F39-R47 HydrophobicContact CB-CG 4.48Å; F39-R47 HydrophobicContact CD2-CG 4.32Å; F39-I48 CarbonylContact C-O 3.57Å; F39-I48 WeakPolarHBondContact CA-O 3.41Å; F39-I48 WeakPolarHBondContact CB-O 3.48Å |
| 40 | S | 90.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 161.3 | 167.4 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | C29 R47 I48 Y50 | C29-S40 WeakPolarHBondContact O-CB 3.4Å; S40-R47 CarbonylContact O-C 3.46Å; S40-R47 WeakPolarHBondContact O-CA 3.21Å; S40-I48 PolarHBondContact N-O 3.49Å; S40-I48 PolarHBondContact O-N 3Å; S40-I48 WeakPolarHBondContact OG-CB 3.03Å; S40-Y50 WeakPolarHBondContact CB-OH 3.49Å; S40-Y50 PolarHBondContact OG-OH 2.99Å |
| 41 | T | 90.1 | Very high | 88.7 | Confident | 81 Ų | 81 | 60.2 Ų | 60.2 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 118.8 | 174.5 | -60 | 0 | 0 | 0 | 0 | 107.7 | T46 | T41-T46 WeakPolarHBondContact CA-O 3.47Å |
| 42 | T | 88.6 | Confident | 88.5 | Confident | 51 Ų | 51 | 66 Ų | 66 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | trans | -70.8 | 156.4 | 174.4 | 64.4 | 0 | 0 | 0 | 0 | 109.6 | G44 G45 T46 I48 | T42-G44 PolarHBondContact O-N 3.5Å; T42-G45 PolarHBondContact O-N 3.1Å; T42-T46 PolarHBondContact N-O 3.24Å; T42-T46 PolarHBondContact OG1-N 2.83Å; T42-I48 HydrophobicContact CG2-CD1 3.65Å; T42-I48 HydrophobicContact CG2-CG1 4.48Å | ||
| 43 | P | 88.9 | Confident | 88.5 | Confident | 149 Ų | 149 | 67.9 Ų | 67.9 | 97% | 0.968 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.6 | 175.5 | -29.1 | 36 | 0 | 0 | 0 | 114.3 | G45 | P43-G45 PolarHBondContact O-N 3.18Š|
| 44 | G | 87.3 | Confident | 88.2 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 75% | 0.753 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T42 | T42-G44 PolarHBondContact O-N 3.5Š|
| 45 | G | 87.4 | Confident | 87.8 | Confident | 31 Ų | 31 | 61.8 Ų | 61.8 | 32% | 0.32 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 85.5 | 1.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | I13 T42 P43 R47 | I13-G45 WeakPolarHBondContact CG2-O 3.34Å; T42-G45 PolarHBondContact O-N 3.1Å; P43-G45 PolarHBondContact O-N 3.18Å; G45-R47 PolarHBondContact O-N 3.25Å |
| 46 | T | 88.7 | Confident | 87.7 | Confident | 44 Ų | 44 | 62 Ų | 62 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -75 | 127 | 178.8 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | K16 T41 T42 | K16-T46 HydrophobicContact CB-CG2 3.89Å; T41-T46 WeakPolarHBondContact CA-O 3.47Å; T42-T46 PolarHBondContact N-O 3.24Å; T42-T46 PolarHBondContact OG1-N 2.83Å |
| 47 | R | 88.8 | Confident | 87.8 | Confident | 80 Ų | 80 | 65 Ų | 65 | 30% | 0.302 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.6 | 172.9 | -169.3 | 174.5 | -175.6 | 171.5 | 2.3 | 110.2 | I13 P14 T15 K16 F39 S40 G45 | I13-R47 HydrophobicContact CG2-CB 4.05Å; P14-R47 PolarHBondContact O-N 2.71Å; T15-R47 WeakPolarHBondContact CA-O 3.2Å; K16-R47 PolarHBondContact N-O 3.28Å; F39-R47 HydrophobicContact CB-CG 4.48Å; F39-R47 HydrophobicContact CD2-CG 4.32Å; S40-R47 CarbonylContact O-C 3.46Å; S40-R47 WeakPolarHBondContact O-CA 3.21Å; G45-R47 PolarHBondContact O-N 3.25Å |
| 48 | I | 89.3 | Confident | 87.6 | Confident | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.8 | 174 | -64.8 | 167 | 0 | 0 | 0 | 108.2 | K16 L18 F39 S40 T42 Y50 | K16-I48 WeakPolarHBondContact O-CA 3.03Å; L18-I48 HydrophobicContact CB-CG2 4.17Å; L18-I48 HydrophobicContact CD1-CB 4.31Å; L18-I48 HydrophobicContact CD1-CD1 3.91Å; L18-I48 HydrophobicContact CD1-CG1 3.98Å; L18-I48 HydrophobicContact CD1-CG2 3.39Å; L18-I48 HydrophobicContact CG-CG2 3.77Å; F39-I48 CarbonylContact C-O 3.57Å; F39-I48 WeakPolarHBondContact CA-O 3.41Å; F39-I48 WeakPolarHBondContact CB-O 3.48Å; S40-I48 PolarHBondContact N-O 3.49Å; S40-I48 PolarHBondContact O-N 3Å; S40-I48 WeakPolarHBondContact OG-CB 3.03Å; T42-I48 HydrophobicContact CG2-CD1 3.65Å; T42-I48 HydrophobicContact CG2-CG1 4.48Å; I48-Y50 HydrophobicContact CG2-CD1 4.12Å; I48-Y50 HydrophobicContact CG2-CE1 3.55Å; I48-Y50 HydrophobicContact CG2-CE2 4.05Å |
| 49 | I | 89.8 | Confident | 87.6 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.2 | 172.1 | -57.7 | 178.7 | 0 | 0 | 0 | 108.2 | T15 K16 L18 T37 | T15-I49 HydrophobicContact CG2-CD1 3.81Å; T15-I49 HydrophobicContact CG2-CG1 4.24Å; K16-I49 PolarHBondContact O-N 3.17Å; L18-I49 PolarHBondContact N-O 2.97Å; T37-I49 HydrophobicContact CG2-CG2 3.81Å |
| 50 | Y | 87.1 | Confident | 87.4 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 3% | 0.027 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.8 | -179.2 | -56.2 | -77.4 | 0 | 0 | 0 | 111.6 | L20 L26 P27 L38 S40 I48 | L20-Y50 HydrophobicContact CD1-CD1 3.86Å; L20-Y50 HydrophobicContact CD1-CE1 3.77Å; L26-Y50 HydrophobicContact CD1-CD1 3.63Å; L26-Y50 HydrophobicContact CD1-CE1 3.22Å; L26-Y50 HydrophobicContact CD1-CE2 4.19Å; L26-Y50 HydrophobicContact CD1-CG 4.27Å; P27-Y50 WeakPolarHBondContact CD-OH 3.43Å; P27-Y50 WeakPolarHBondContact CG-OH 3.47Å; L38-Y50 HydrophobicContact CB-CD2 3.87Å; L38-Y50 PolarHBondContact O-N 3.31Å; L38-Y50 VanDerWaalsContact O-N 3.1Å; S40-Y50 WeakPolarHBondContact CB-OH 3.49Å; S40-Y50 PolarHBondContact OG-OH 2.99Å; I48-Y50 HydrophobicContact CG2-CD1 4.12Å; I48-Y50 HydrophobicContact CG2-CE1 3.55Å; I48-Y50 HydrophobicContact CG2-CE2 4.05Å |
| 51 | D | 88.6 | Confident | 87.2 | Confident | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 39% | 0.388 | S | S | . | . | trans | -75 | 140.7 | 179.4 | -82.7 | -8.4 | 0 | 0 | 0 | 112.6 | K53 F54 L55 | D51-K53 PolarHBondContact O-N 3.05Å; D51-F54 HydrophobicContact CB-CB 4.43Å; D51-F54 WeakPolarHBondContact O-CB 3.39Å; D51-F54 PolarHBondContact O-N 3.37Å; D51-F54 VanDerWaalsContact O-N 3.17Å; D51-L55 WeakPolarHBondContact O-CG 3.11Å; D51-L55 PolarHBondContact O-N 3.06Å | ||
| 52 | R | 84.5 | Confident | 87.1 | Confident | 187 Ų | 187 | 74.3 Ų | 74.3 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -53.6 | -38.9 | 175.5 | -179.3 | 179.2 | -179.6 | -87 | 1.3 | 113 | L55 L56 | R52-L55 PolarHBondContact O-N 3.27Å; R52-L56 HydrophobicContact CG-CD1 4.08Å; R52-L56 HydrophobicContact CG-CG 4.39Å; R52-L56 VanDerWaalsContact NH1-CD1 3.31Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 3.17Å |
| 53 | K | 86.4 | Confident | 86.9 | Confident | 168 Ų | 168 | 78.4 Ų | 78.4 | 73% | 0.73 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62 | -50.3 | -179.7 | -66.5 | -168.3 | 179.2 | 101 | 0 | 110.7 | D51 L55 L56 D57 | D51-K53 PolarHBondContact O-N 3.05Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.37Å; K53-L56 PolarHBondContact O-N 3.19Å; K53-D57 PolarHBondContact O-N 2.84Å |
| 54 | F | 84.2 | Confident | 86.8 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.6 | -47.3 | 175.5 | 173.3 | -102.9 | 0 | 0 | 0 | 111.3 | L20 W23 L26 D51 L56 D57 C58 | L20-F54 HydrophobicContact CB-CD1 4.18Å; L20-F54 HydrophobicContact CB-CD2 3.54Å; L20-F54 HydrophobicContact CB-CE1 3.98Å; L20-F54 HydrophobicContact CB-CE2 3.28Å; L20-F54 HydrophobicContact CB-CG 3.97Å; L20-F54 HydrophobicContact CB-CZ 3.52Å; L20-F54 HydrophobicContact CD1-CD1 4.32Å; L20-F54 HydrophobicContact CD1-CE1 3.62Å; L20-F54 HydrophobicContact CD1-CE2 4.26Å; L20-F54 HydrophobicContact CD1-CZ 3.57Å; L20-F54 HydrophobicContact CG-CE1 4.37Å; L20-F54 HydrophobicContact CG-CE2 4.4Å; L20-F54 HydrophobicContact CG-CZ 4.18Å; L20-F54 WeakPolarHBondContact O-CD2 3.35Å; W23-F54 HydrophobicContact CE3-CZ 4.25Å; L26-F54 HydrophobicContact CB-CZ 4.43Å; L26-F54 HydrophobicContact CD1-CE1 4.07Å; D51-F54 HydrophobicContact CB-CB 4.43Å; D51-F54 WeakPolarHBondContact O-CB 3.39Å; D51-F54 PolarHBondContact O-N 3.37Å; D51-F54 VanDerWaalsContact O-N 3.17Å; F54-L56 VanDerWaalsContact C-N 3.26Å; F54-L56 PolarHBondContact O-N 3.39Å; F54-D57 WeakPolarHBondContact O-CB 3.34Å; F54-D57 PolarHBondContact O-N 2.58Å; F54-C58 PolarHBondContact O-N 3.42Å; F54-C58 PolarHBondContact O-SG 2.92Å |
| 55 | L | 84.2 | Confident | 86.7 | Confident | 43 Ų | 43 | 79.8 Ų | 79.8 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.4 | -22.7 | 177.6 | -62.5 | 175 | 0 | 0 | 0 | 114.9 | L38 D51 R52 K53 C58 | L38-L55 HydrophobicContact CB-CD1 3.93Å; L38-L55 HydrophobicContact CD1-CD1 3.62Å; L38-L55 HydrophobicContact CD2-CD1 3.76Å; L38-L55 HydrophobicContact CD2-CD2 3.66Å; L38-L55 HydrophobicContact CD2-CG 4.34Å; L38-L55 HydrophobicContact CG-CD1 3.95Å; D51-L55 WeakPolarHBondContact O-CG 3.11Å; D51-L55 PolarHBondContact O-N 3.06Å; R52-L55 PolarHBondContact O-N 3.27Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.37Å; L55-C58 VanDerWaalsContact CA-SG 3.55Å; L55-C58 WeakPolarHBondContact O-CB 3.47Å; L55-C58 PolarHBondContact O-N 3.27Å |
| 56 | L | 86.6 | Confident | 86.7 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 40% | 0.398 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -85.6 | -37.5 | 175.2 | -74.6 | 176.3 | 0 | 0 | 0 | 111.9 | R52 K53 F54 C58 R59 | R52-L56 HydrophobicContact CG-CD1 4.08Å; R52-L56 HydrophobicContact CG-CG 4.39Å; R52-L56 VanDerWaalsContact NH1-CD1 3.31Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 3.17Å; K53-L56 PolarHBondContact O-N 3.19Å; F54-L56 VanDerWaalsContact C-N 3.26Å; F54-L56 PolarHBondContact O-N 3.39Å; L56-C58 PolarHBondContact O-N 3.07Å; L56-C58 VanDerWaalsContact O-N 3.09Å; L56-R59 WeakPolarHBondContact O-CB 2.99Å; L56-R59 WeakPolarHBondContact O-CD 3.46Å; L56-R59 WeakPolarHBondContact O-CG 3.48Å; L56-R59 PolarHBondContact O-N 3.15Å |
| 57 | D | 87.4 | Confident | 86.5 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.6 | -23.8 | 164.4 | -63.1 | -24.5 | 0 | 0 | 0 | 109.5 | K53 F54 R59 N60 | K53-D57 PolarHBondContact O-N 2.84Å; F54-D57 WeakPolarHBondContact O-CB 3.34Å; F54-D57 PolarHBondContact O-N 2.58Å; D57-R59 PolarHBondContact O-N 3.04Å; D57-R59 VanDerWaalsContact O-N 3.15Å; D57-N60 PolarHBondContact O-N 3.4Å |
| 58 | C | 83.5 | Confident | 86.3 | Confident | 17 Ų | 17 | 86.4 Ų | 86.4 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -59.5 | -27.8 | 176.7 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | W23 F54 L55 L56 N60 S61 | W23-C58 HydrophobicContact CE3-CB 4.05Å; W23-C58 HydrophobicContact CH2-CB 3.03Å; W23-C58 WeakPolarHBondContact CH2-O 2.9Å; W23-C58 VanDerWaalsContact CH2-SG 3.52Å; W23-C58 HydrophobicContact CZ2-CB 3.68Å; W23-C58 WeakPolarHBondContact CZ2-O 2.78Å; W23-C58 HydrophobicContact CZ3-CB 3.17Å; W23-C58 WeakPolarHBondContact CZ3-SG 3.13Å; F54-C58 PolarHBondContact O-N 3.42Å; F54-C58 PolarHBondContact O-SG 2.92Å; L55-C58 VanDerWaalsContact CA-SG 3.55Å; L55-C58 WeakPolarHBondContact O-CB 3.47Å; L55-C58 PolarHBondContact O-N 3.27Å; L56-C58 PolarHBondContact O-N 3.07Å; L56-C58 VanDerWaalsContact O-N 3.09Å; C58-N60 PolarHBondContact O-N 3.35Å; C58-S61 PolarHBondContact O-N 3.1Å; C58-S61 PolarHBondContact O-OG 3.07Å |
| 59 | R | 86.9 | Confident | 85.9 | Confident | 182 Ų | 182 | 91.5 Ų | 91.5 | 69% | 0.687 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -66.2 | -20.1 | -175.6 | 83.2 | -170.1 | -157.5 | 171.4 | 5.2 | 114 | L56 D57 | L56-R59 WeakPolarHBondContact O-CB 2.99Å; L56-R59 WeakPolarHBondContact O-CD 3.46Å; L56-R59 WeakPolarHBondContact O-CG 3.48Å; L56-R59 PolarHBondContact O-N 3.15Å; D57-R59 PolarHBondContact O-N 3.04Å; D57-R59 VanDerWaalsContact O-N 3.15Å |
| 60 | N | 86.9 | Confident | 85.6 | Confident | 93 Ų | 93 | 95.5 Ų | 95.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -93.5 | -2.5 | -170.7 | -61.3 | -45.4 | 0 | 0 | 0 | 113.3 | D57 C58 | D57-N60 PolarHBondContact O-N 3.4Å; C58-N60 PolarHBondContact O-N 3.35Å |
| 61 | S | 86.7 | Confident | 85.6 | Confident | 10 Ų | 10 | 99.8 Ų | 99.8 | 7% | 0.07 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -71.1 | 156.7 | 179.3 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | W23 C58 L63 A64 | W23-S61 WeakPolarHBondContact CH2-OG 3.47Å; W23-S61 WeakPolarHBondContact CZ2-OG 3.42Å; C58-S61 PolarHBondContact O-N 3.1Å; C58-S61 PolarHBondContact O-OG 3.07Å; S61-L63 PolarHBondContact O-N 3.47Å; S61-A64 PolarHBondContact O-N 3.09Å; S61-A64 PolarHBondContact OG-N 2.95Å |
| 62 | P | 87.2 | Confident | 85.6 | Confident | 109 Ų | 109 | 100.5 Ų | 100.5 | 71% | 0.708 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -37.2 | 168.5 | -25 | 34.5 | 0 | 0 | 0 | 113 | A64 R65 | P62-A64 VanDerWaalsContact C-N 3.33Å; P62-A64 PolarHBondContact O-N 3.3Å; P62-R65 WeakPolarHBondContact O-CB 3.49Å; P62-R65 PolarHBondContact O-N 3Å |
| 63 | L | 84.4 | Confident | 85.7 | Confident | 137 Ų | 137 | 98.3 Ų | 98.3 | 72% | 0.717 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -62.7 | -36.9 | 178.7 | -71.5 | 171.7 | 0 | 0 | 0 | 112.4 | S61 R65 T66 | S61-L63 PolarHBondContact O-N 3.47Å; L63-R65 PolarHBondContact O-N 3.39Å; L63-T66 PolarHBondContact O-N 3.46Å; L63-T66 PolarHBondContact O-OG1 2.69Å |
| 64 | A | 87.4 | Confident | 85.9 | Confident | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -68.3 | -14.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S61 P62 | S61-A64 PolarHBondContact O-N 3.09Å; S61-A64 PolarHBondContact OG-N 2.95Å; P62-A64 VanDerWaalsContact C-N 3.33Å; P62-A64 PolarHBondContact O-N 3.3Å |
| 65 | R | 85.2 | Confident | 85.9 | Confident | 190 Ų | 190 | 98.5 Ų | 98.5 | 72% | 0.717 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -95.9 | -3.5 | 179.6 | -60.8 | -178.2 | -176.9 | -179.2 | 0.9 | 113.4 | P62 L63 P67 | P62-R65 WeakPolarHBondContact O-CB 3.49Å; P62-R65 PolarHBondContact O-N 3Å; L63-R65 PolarHBondContact O-N 3.39Å; R65-P67 WeakPolarHBondContact O-CD 3.19Å |
| 66 | T | 86.5 | Confident | 85.9 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -84.4 | 119.1 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | L63 | L63-T66 PolarHBondContact O-N 3.46Å; L63-T66 PolarHBondContact O-OG1 2.69Å |
| 67 | P | 84.3 | Confident | 86 | Confident | 117 Ų | 117 | 101.9 Ų | 101.9 | 76% | 0.76 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.8 | 175.2 | -22.7 | 33.5 | 0 | 0 | 0 | 110.8 | R65 C69 | R65-P67 WeakPolarHBondContact O-CD 3.19Å; P67-C69 PolarHBondContact O-N 2.95Å |
| 68 | P | 86.4 | Confident | 85.9 | Confident | 87 Ų | 87 | 99 Ų | 99 | 57% | 0.565 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 134.9 | 178.4 | -18 | 29.2 | 0 | 0 | 0 | 110.8 | C70 L71 | P68-C70 PolarHBondContact O-N 3.29Å; P68-L71 HydrophobicContact CB-CB 4.28Å; P68-L71 HydrophobicContact CG-CD2 4.32Å |
| 69 | C | 79.7 | Confident | 85.9 | Confident | 119 Ų | 119 | 99.5 Ų | 99.5 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 131.5 | 169.2 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | P67 | P67-C69 PolarHBondContact O-N 2.95Š|
| 70 | C | 83.9 | Confident | 85.4 | Confident | 130 Ų | 130 | 94.2 Ų | 94.2 | 88% | 0.878 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.5 | 21.1 | 176.5 | -42.7 | 0 | 0 | 0 | 0 | 116.8 | P68 | P68-C70 PolarHBondContact O-N 3.29Š|
| 71 | L | 86.2 | Confident | 84.5 | Confident | 97 Ų | 97 | 94.4 Ų | 94.4 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | trans | -75.1 | 129.2 | 170.7 | -163.9 | 71.8 | 0 | 0 | 0 | 110.8 | P68 T78 | P68-L71 HydrophobicContact CB-CB 4.28Å; P68-L71 HydrophobicContact CG-CD2 4.32Å; L71-T78 HydrophobicContact CD2-CG2 3.57Å; L71-T78 HydrophobicContact CG-CG2 3.89Å | ||
| 72 | P | 89.1 | Confident | 83.3 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 53% | 0.532 | 62% | 0.615 | S | S | . | * | trans | -65.9 | 147.4 | 179.1 | 27.2 | -34.4 | 0 | 0 | 0 | 111.3 | I74 T78 | P72-I74 HydrophobicContact CB-CG1 4.46Å; P72-I74 HydrophobicContact CG-CD1 4.19Å; P72-I74 PolarHBondContact O-N 2.89Å; P72-T78 WeakPolarHBondContact O-CB 3.11Å; P72-T78 PolarHBondContact O-OG1 3.3Å | ||
| 73 | Q | 86.9 | Confident | 81.8 | Confident | 141 Ų | 141 | 99.5 Ų | 99.5 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | trans | -89.2 | 100.2 | -179.5 | -165 | 160.3 | -27.6 | 0 | 0 | 110.7 | T78 V79 | Q73-T78 WeakPolarHBondContact CA-OG1 3.2Å; Q73-V79 HydrophobicContact CG-CG1 3.21Å; Q73-V79 VanDerWaalsContact NE2-CG1 3.34Å | ||
| 74 | I | 89.7 | Confident | 80.4 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | trans | -114.1 | 115.9 | -176.7 | -59.2 | 171 | 0 | 0 | 0 | 107.4 | P72 G76 V77 T78 | P72-I74 HydrophobicContact CB-CG1 4.46Å; P72-I74 HydrophobicContact CG-CD1 4.19Å; P72-I74 PolarHBondContact O-N 2.89Å; I74-G76 PolarHBondContact O-N 3.16Å; I74-V77 HydrophobicContact CB-CB 4.11Å; I74-V77 HydrophobicContact CB-CG2 4.49Å; I74-V77 HydrophobicContact CG2-CB 3.97Å; I74-V77 HydrophobicContact CG2-CG2 3.8Å; I74-V77 PolarHBondContact O-N 3.5Å; I74-V77 VanDerWaalsContact O-N 3.07Å; I74-T78 PolarHBondContact N-OG1 3.2Å; I74-T78 PolarHBondContact O-N 3.21Å; I74-T78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | P | 85.5 | Confident | 78.7 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 70% | 0.695 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | 129.1 | 175.8 | -29.4 | 36.8 | 0 | 0 | 0 | 112.4 | V77 | P75-V77 VanDerWaalsContact C-N 3.25Å; P75-V77 PolarHBondContact O-N 2.81Å |
| 76 | G | 83.9 | Confident | 77.2 | Confident | 79 Ų | 79 | 99.4 Ų | 99.4 | 81% | 0.814 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.8 | -7.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | I74 V79 | I74-G76 PolarHBondContact O-N 3.16Å; G76-V79 VanDerWaalsContact N-CG2 3.32Å |
| 77 | V | 88.9 | Confident | 75.7 | Confident | 111 Ų | 111 | 99.8 Ų | 99.8 | 67% | 0.673 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -58.9 | -179.8 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | I74 P75 | I74-V77 HydrophobicContact CB-CB 4.11Å; I74-V77 HydrophobicContact CB-CG2 4.49Å; I74-V77 HydrophobicContact CG2-CB 3.97Å; I74-V77 HydrophobicContact CG2-CG2 3.8Å; I74-V77 PolarHBondContact O-N 3.5Å; I74-V77 VanDerWaalsContact O-N 3.07Å; P75-V77 VanDerWaalsContact C-N 3.25Å; P75-V77 PolarHBondContact O-N 2.81Å |
| 78 | T | 85.4 | Confident | 73.9 | Confident | 41 Ų | 41 | 97.6 Ų | 97.6 | 25% | 0.252 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | -14.3 | -171.9 | 61 | 0 | 0 | 0 | 0 | 113 | L71 P72 Q73 I74 | L71-T78 HydrophobicContact CD2-CG2 3.57Å; L71-T78 HydrophobicContact CG-CG2 3.89Å; P72-T78 WeakPolarHBondContact O-CB 3.11Å; P72-T78 PolarHBondContact O-OG1 3.3Å; Q73-T78 WeakPolarHBondContact CA-OG1 3.2Å; I74-T78 PolarHBondContact N-OG1 3.2Å; I74-T78 PolarHBondContact O-N 3.21Å; I74-T78 VanDerWaalsContact O-N 3.1Å |
| 79 | V | 82.7 | Confident | 71.8 | Confident | 27 Ų | 27 | 103.5 Ų | 103.5 | 16% | 0.164 | 63% | 0.626 | C | S | . | * | S | Bend | trans | -74.5 | 132.5 | 170.1 | -78.5 | 0 | 0 | 0 | 0 | 111.1 | Q73 G76 A81 | Q73-V79 HydrophobicContact CG-CG1 3.21Å; Q73-V79 VanDerWaalsContact NE2-CG1 3.34Å; G76-V79 VanDerWaalsContact N-CG2 3.32Å; V79-A81 PolarHBondContact O-N 3.06Å |
| 80 | P | 76.5 | Confident | 70.3 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 47% | 0.468 | 63% | 0.627 | S | S | . | * | trans | -60.6 | 139.1 | 167.2 | -19.1 | 31 | 0 | 0 | 0 | 110.2 | T82 H83 | P80-T82 PolarHBondContact O-N 3.21Å; P80-H83 PolarHBondContact O-N 3.27Å | ||
| 81 | A | 67.2 | Low | 68.2 | Low | 97 Ų | 97 | 106.8 Ų | 106.8 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -56 | -23 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V79 H83 | V79-A81 PolarHBondContact O-N 3.06Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-H83 PolarHBondContact O-N 3.42Å |
| 82 | T | 63.3 | Low | 65.8 | Low | 119 Ų | 119 | 110.1 Ų | 110.1 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -72.7 | -20.3 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 114 | P80 | P80-T82 PolarHBondContact O-N 3.21Š|
| 83 | H | 55.9 | Low | 63.6 | Low | 106 Ų | 106 | 114 Ų | 114 | 49% | 0.491 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -99.7 | -3.5 | 179.2 | -70.7 | -73 | 0 | 0 | 0 | 113.7 | P80 A81 H85 H86 | P80-H83 PolarHBondContact O-N 3.27Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-H83 PolarHBondContact O-N 3.42Å; H83-H85 PolarHBondContact O-N 3.32Å; H83-H85 VanDerWaalsContact O-N 3.13Å; H83-H86 PolarHBondContact O-ND1 3.4Å; H83-H86 VanDerWaalsContact O-ND1 3.08Å |
| 84 | A | 54.1 | Low | 61.5 | Low | 67 Ų | 67 | 115 Ų | 115 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -12.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 85 | H | 51.1 | Low | 59 | Low | 187 Ų | 187 | 120.1 Ų | 120.1 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 0.9 | -173.6 | -139.8 | -74.5 | 0 | 0 | 0 | 115 | H83 | H83-H85 PolarHBondContact O-N 3.32Å; H83-H85 VanDerWaalsContact O-N 3.13Å |
| 86 | H | 54.2 | Low | 56.9 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 62% | 0.616 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -108.5 | -6.1 | -174.1 | 96.5 | -76.7 | 0 | 0 | 0 | 115.7 | H83 | H83-H86 PolarHBondContact O-ND1 3.4Å; H83-H86 VanDerWaalsContact O-ND1 3.08Å |
| 87 | T | 54.8 | Low | 54.6 | Low | 98 Ų | 98 | 123.3 Ų | 123.3 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -126 | 95.4 | 180 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 88 | G | 45.8 | Very low | 52.1 | Low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | 144.5 | 62.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L90 | G88-L90 PolarHBondContact O-N 2.85Š| ||
| 89 | K | 43.6 | Very low | 50 | Low | 212 Ų | 212 | 134.3 Ų | 134.3 | 92% | 0.922 | 72% | 0.721 | S | S | * | * | trans | -68.2 | 78.2 | 141.4 | -78 | -169 | 176.9 | -171.9 | 0 | 107 | ||||
| 90 | L | 46.8 | Very low | 47.9 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | trans | -96.9 | 108.5 | 163.2 | -149.9 | 157.4 | 0 | 0 | 0 | 104.9 | G88 D92 | G88-L90 PolarHBondContact O-N 2.85Å; L90-D92 PolarHBondContact O-N 2.99Å | ||
| 91 | Q | 40.7 | Very low | 46.4 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | trans | -55.8 | 120.2 | -173 | -64.4 | 155.3 | 27.9 | 0 | 0 | 108.7 | L93 | Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 3.26Å | ||
| 92 | D | 36.8 | Very low | 45.1 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -57.5 | 97.3 | 165.9 | -73 | -65.9 | 0 | 0 | 0 | 108.3 | L90 K94 | L90-D92 PolarHBondContact O-N 2.99Å; D92-K94 PolarHBondContact O-N 3.08Å; D92-K94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | L | 41.3 | Very low | 44 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -70.1 | 107.1 | 165 | -80.6 | 161 | 0 | 0 | 0 | 106.7 | Q91 E95 | Q91-L93 VanDerWaalsContact C-N 3.32Å; Q91-L93 PolarHBondContact O-N 3.26Å; L93-E95 PolarHBondContact O-N 3.13Å | ||
| 94 | K | 44.4 | Very low | 43.4 | Very low | 163 Ų | 163 | 156.5 Ų | 156.5 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | -43.1 | 113.2 | 164.8 | 176.9 | 166.8 | -179.8 | 169.6 | 0 | 110.9 | D92 E96 | D92-K94 PolarHBondContact O-N 3.08Å; D92-K94 VanDerWaalsContact O-N 3.16Å; K94-E96 WeakPolarHBondContact CE-OE1 3.07Å; K94-E96 IonicContact NZ-OE1 2.85Å; K94-E96 PolarHBondContact NZ-OE1 3.49Å | ||
| 95 | E | 36.7 | Very low | 43.1 | Very low | 186 Ų | 186 | 156.7 Ų | 156.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -121.4 | 102.4 | 156.6 | -79.9 | -176.7 | 166.2 | 0 | 0 | 107.7 | L93 | L93-E95 PolarHBondContact O-N 3.13Š| ||
| 96 | E | 41.8 | Very low | 42.9 | Very low | 160 Ų | 160 | 154.5 Ų | 154.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 121 | 153 | -73.9 | 178.7 | -159.7 | 0 | 0 | 106.4 | K94 | K94-E96 WeakPolarHBondContact CE-OE1 3.07Å; K94-E96 IonicContact NZ-OE1 2.85Å; K94-E96 PolarHBondContact NZ-OE1 3.49Å | ||
| 97 | A | 35.1 | Very low | 42.9 | Very low | 94 Ų | 94 | 154.9 Ų | 154.9 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -145.6 | 123.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 98 | E | 36.6 | Very low | 43.4 | Very low | 194 Ų | 194 | 154.9 Ų | 154.9 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -58.6 | 149.5 | -172.3 | -65.9 | 155.7 | 164.2 | 0 | 0 | 113 | ||||
| 99 | E | 40.8 | Very low | 44.6 | Very low | 188 Ų | 188 | 159.7 Ų | 159.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -58.6 | 131.4 | 162.5 | -61.8 | 172.4 | 161.4 | 0 | 0 | 109.5 | ||||
| 100 | E | 37.7 | Very low | 45.6 | Very low | 198 Ų | 198 | 158.5 Ų | 158.5 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -179.2 | 135.7 | 138.7 | -99.7 | 173.1 | -163.4 | 0 | 0 | 112.1 | ||||
| 101 | E | 45 | Very low | 46.7 | Very low | 188 Ų | 188 | 159 Ų | 159 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -61.8 | 148.1 | -176.9 | -59.7 | 176.3 | 135 | 0 | 0 | 115 | ||||
| 102 | K | 41.3 | Very low | 48.2 | Very low | 207 Ų | 207 | 159 Ų | 159 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | trans | -159.9 | 103 | 137.4 | -71.1 | -156 | -179.5 | 169.2 | 0 | 113.6 | ||||
| 103 | D | 39.8 | Very low | 50 | Low | 141 Ų | 141 | 158.2 Ų | 158.2 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | 44.9 | 126.5 | 118.3 | -147.1 | 29.1 | 0 | 0 | 0 | 123.9 | |||||
| 104 | I | 42.7 | Very low | 51 | Low | 154 Ų | 154 | 161.5 Ų | 161.5 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | 71.4 | 129.8 | 146.5 | -78.8 | 160.9 | 0 | 0 | 0 | 123.4 | ||||
| 105 | G | 48.7 | Very low | 51.4 | Low | 71 Ų | 71 | 161.5 Ų | 161.5 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 154.2 | 60.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 106 | D | 45.9 | Very low | 52.1 | Low | 140 Ų | 140 | 160.2 Ų | 160.2 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | 63.1 | 101.4 | 99.5 | -158.5 | 29.3 | 0 | 0 | 0 | 115.6 | |||||
| 107 | D | 54.3 | Low | 52.7 | Low | 141 Ų | 141 | 160.2 Ų | 160.2 | 75% | 0.754 | 83% | 0.829 | S | S | * | * | trans | 31.7 | 107.2 | 139.4 | -59.2 | -16.2 | 0 | 0 | 0 | 120.2 | ||||
| 108 | S | 66.3 | Low | 53.8 | Low | 99 Ų | 99 | 164.1 Ų | 164.1 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | 158.5 | 60.5 | 126.9 | -74.7 | 0 | 0 | 0 | 0 | 113 | F110 | S108-F110 PolarHBondContact O-N 2.91Š| |||
| 109 | Q | 70.4 | Confident | 54.8 | Low | 171 Ų | 171 | 162.2 Ų | 162.2 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -75.6 | -12.2 | 173.7 | -167.8 | 169.5 | 17.4 | 0 | 0 | 113.3 | ||
| 110 | F | 64.7 | Low | 55.8 | Low | 187 Ų | 187 | 160.5 Ų | 160.5 | 82% | 0.82 | 82% | 0.824 | S | S | * | * | trans | -142.1 | 67.1 | -175.7 | -56.7 | -77.4 | 0 | 0 | 0 | 112.4 | S108 | S108-F110 PolarHBondContact O-N 2.91Š| ||
| 111 | E | 69.3 | Low | 57 | Low | 164 Ų | 164 | 157.8 Ų | 157.8 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -84.8 | 114.2 | 160.3 | -163.1 | 169.5 | -166.7 | 0 | 0 | 108.1 | ||||
| 112 | M | 71.9 | Confident | 58 | Low | 164 Ų | 164 | 155.5 Ų | 155.5 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -105.7 | 108.8 | 174.5 | -178.7 | 92.2 | 68 | 0 | 0 | 106.7 | I114 | M112-I114 PolarHBondContact O-N 2.99Š| ||
| 113 | D | 74.7 | Confident | 59.4 | Low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -60.9 | 127 | 172.6 | -69.3 | -42 | 0 | 0 | 0 | 109.9 | ||||
| 114 | I | 63.7 | Low | 61.1 | Low | 233 Ų | 233 | 152.1 Ų | 152.1 | 100% | 1.195 | 81% | 0.809 | S | S | * | * | trans | -110.4 | 0 | 168.4 | 55.9 | 165.4 | 0 | 0 | 0 | 110.9 | M112 | M112-I114 PolarHBondContact O-N 2.99Š|
Retrieved 114 of 114 residues in 148.5 ms
(Link to these results)