| 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 | 44.3 | Very low | 76.6 | Confident | 246 Ų | 246 | 111 Ų | 111 | 100% | 1.212 | 61% | 0.613 | S | S | * | * | 0 | 121.1 | 0 | -71.4 | -68.6 | -175.2 | 0 | 0 | 106.4 | |||||
| 2 | T | 68.3 | Low | 77.5 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | trans | -74.1 | 151.3 | 172.9 | 48.8 | 0 | 0 | 0 | 0 | 109.1 | G4 L6 | T2-G4 WeakPolarHBondContact CB-O 3Å; T2-G4 PolarHBondContact O-N 3.35Å; T2-G4 PolarHBondContact OG1-O 2.99Å; T2-L6 HydrophobicContact CG2-CD1 4.09Å; T2-L6 HydrophobicContact CG2-CG 4.35Å | ||
| 3 | E | 70.3 | Confident | 78.6 | Confident | 218 Ų | 218 | 104 Ų | 104 | 100% | 1.019 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -73.4 | -3.1 | 178.2 | -68.7 | -157 | 127.3 | 0 | 0 | 113.5 | ||
| 4 | G | 76.8 | Confident | 79.5 | Confident | 45 Ų | 45 | 101.6 Ų | 101.6 | 46% | 0.464 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -162.1 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T2 | T2-G4 WeakPolarHBondContact CB-O 3Å; T2-G4 PolarHBondContact O-N 3.35Å; T2-G4 PolarHBondContact OG1-O 2.99Å |
| 5 | A | 79.2 | Confident | 80.4 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 87% | 0.868 | 56% | 0.559 | S | S | * | * | trans | -64.7 | 138.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | L | 82.8 | Confident | 81.1 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 43% | 0.429 | 55% | 0.549 | S | S | . | . | trans | -96.7 | 127.9 | 172.3 | -64.3 | 176.1 | 0 | 0 | 0 | 108.1 | T2 Y14 V38 | T2-L6 HydrophobicContact CG2-CD1 4.09Å; T2-L6 HydrophobicContact CG2-CG 4.35Å; L6-Y14 HydrophobicContact CD2-CE2 4.11Å; L6-V38 HydrophobicContact CB-CG1 4.17Å | ||
| 7 | D | 80.9 | Confident | 81.9 | Confident | 61 Ų | 61 | 99 Ų | 99 | 33% | 0.326 | 55% | 0.545 | S | S | . | . | trans | -125.7 | 117.7 | 176.9 | 171.6 | 28.2 | 0 | 0 | 0 | 108 | E9 S10 K11 | D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact OD1-N 2.89Å; D7-S10 PolarHBondContact O-N 2.98Å; D7-S10 VanDerWaalsContact OD2-CB 3.22Å; D7-S10 WeakPolarHBondContact OD2-CB 3.45Å; D7-S10 PolarHBondContact OD2-N 3.24Å; D7-S10 PolarHBondContact OD2-OG 2.82Å; D7-K11 PolarHBondContact O-N 3.22Å | ||
| 8 | R | 84.6 | Confident | 82.6 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 32% | 0.317 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -39.2 | -174.2 | -169.7 | -163.1 | 70 | 164 | -12.1 | 110.5 | S10 K11 A12 V38 D40 | R8-S10 PolarHBondContact O-N 2.94Å; R8-K11 CarbonylContact O-C 3.59Å; R8-K11 VanDerWaalsContact O-C 3.28Å; R8-K11 PolarHBondContact O-N 3.37Å; R8-K11 VanDerWaalsContact O-N 3.17Å; R8-A12 HydrophobicContact CG-CB 4Å; R8-A12 PolarHBondContact O-N 2.85Å; R8-V38 HydrophobicContact CB-CB 4.41Å; R8-V38 HydrophobicContact CB-CG1 4.01Å; R8-V38 HydrophobicContact CG-CB 4.39Å; R8-V38 HydrophobicContact CG-CG1 4.49Å; R8-D40 IonicContact CZ-OD1 3.12Å; R8-D40 IonicContact CZ-OD2 3.11Å; R8-D40 IonicContact NE-OD1 3.51Å; R8-D40 VanDerWaalsContact NH1-CB 3.28Å; R8-D40 IonicContact NH1-OD1 3.47Å; R8-D40 PolarHBondContact NH1-OD1 2.58Å; R8-D40 IonicContact NH1-OD2 2.7Å; R8-D40 PolarHBondContact NH1-OD2 3.07Å; R8-D40 IonicContact NH2-OD1 3.05Å; R8-D40 PolarHBondContact NH2-OD1 3.24Å; R8-D40 IonicContact NH2-OD2 3.07Å; R8-D40 PolarHBondContact NH2-OD2 2.7Å; R8-D40 VanDerWaalsContact NH2-OD2 3.07Å |
| 9 | E | 84.4 | Confident | 83.2 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 41% | 0.411 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -33.2 | -180 | -79 | 57.7 | -127.8 | 0 | 0 | 111.3 | D7 N44 | D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact OD1-N 2.89Å; E9-N44 VanDerWaalsContact CD-ND2 3.34Å; E9-N44 WeakPolarHBondContact CG-ND2 3.44Å |
| 10 | S | 85.1 | Confident | 83.7 | Confident | 96 Ų | 96 | 96.3 Ų | 96.3 | 67% | 0.671 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -45.8 | 169.5 | -69 | 0 | 0 | 0 | 0 | 112.8 | D7 R8 | D7-S10 PolarHBondContact O-N 2.98Å; D7-S10 VanDerWaalsContact OD2-CB 3.22Å; D7-S10 WeakPolarHBondContact OD2-CB 3.45Å; D7-S10 PolarHBondContact OD2-N 3.24Å; D7-S10 PolarHBondContact OD2-OG 2.82Å; R8-S10 PolarHBondContact O-N 2.94Å |
| 11 | K | 85.9 | Confident | 84.3 | Confident | 100 Ų | 100 | 94.6 Ų | 94.6 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | trans | -156.5 | 108.9 | -178.3 | -173.4 | 161.3 | 176.8 | -179 | 0 | 112.9 | D7 R8 E13 Y14 V38 | D7-K11 PolarHBondContact O-N 3.22Å; R8-K11 CarbonylContact O-C 3.59Å; R8-K11 VanDerWaalsContact O-C 3.28Å; R8-K11 PolarHBondContact O-N 3.37Å; R8-K11 VanDerWaalsContact O-N 3.17Å; K11-E13 WeakPolarHBondContact CE-O 3.32Å; K11-E13 WeakPolarHBondContact CG-O 3.37Å; K11-Y14 HydrophobicContact CB-CE2 4.38Å; K11-Y14 HydrophobicContact CD-CD1 4.04Å; K11-Y14 HydrophobicContact CD-CE1 3.5Å; K11-Y14 HydrophobicContact CD-CE2 4.14Å; K11-Y14 VanDerWaalsContact CE-CD1 3.45Å; K11-Y14 VanDerWaalsContact CE-CE1 3.47Å; K11-Y14 HydrophobicContact CG-CD2 4.46Å; K11-Y14 HydrophobicContact CG-CE1 4.2Å; K11-Y14 HydrophobicContact CG-CE2 3.91Å; K11-V38 WeakPolarHBondContact O-CG2 3.22Å | ||
| 12 | A | 87.8 | Confident | 86.6 | Confident | 54 Ų | 54 | 85.9 Ų | 85.9 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -78.6 | -24.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R8 V38 | R8-A12 HydrophobicContact CG-CB 4Å; R8-A12 PolarHBondContact O-N 2.85Å; A12-V38 PolarHBondContact O-N 2.86Å |
| 13 | E | 91.4 | Very high | 87.8 | Confident | 77 Ų | 77 | 89 Ų | 89 | 36% | 0.36 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 144.1 | -173.4 | -170.2 | -179.7 | 93.1 | 0 | 0 | 113 | K11 N15 T35 L36 | K11-E13 WeakPolarHBondContact CE-O 3.32Å; K11-E13 WeakPolarHBondContact CG-O 3.37Å; E13-N15 PolarHBondContact OE1-ND2 2.87Å; E13-T35 HydrophobicContact CG-CG2 3.63Å; E13-T35 WeakPolarHBondContact OE2-CG2 3.48Å; E13-L36 CarbonylContact C-O 3.51Å; E13-L36 WeakPolarHBondContact CA-O 3.18Å |
| 14 | Y | 90.4 | Very high | 88.8 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 28% | 0.275 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.3 | 170.7 | -60.9 | -102.8 | 0 | 0 | 0 | 109.7 | L6 K11 L36 V38 | L6-Y14 HydrophobicContact CD2-CE2 4.11Å; K11-Y14 HydrophobicContact CB-CE2 4.38Å; K11-Y14 HydrophobicContact CD-CD1 4.04Å; K11-Y14 HydrophobicContact CD-CE1 3.5Å; K11-Y14 HydrophobicContact CD-CE2 4.14Å; K11-Y14 VanDerWaalsContact CE-CD1 3.45Å; K11-Y14 VanDerWaalsContact CE-CE1 3.47Å; K11-Y14 HydrophobicContact CG-CD2 4.46Å; K11-Y14 HydrophobicContact CG-CE1 4.2Å; K11-Y14 HydrophobicContact CG-CE2 3.91Å; Y14-L36 PolarHBondContact N-O 3.37Å; Y14-L36 PolarHBondContact O-N 3.17Å; Y14-V38 HydrophobicContact CD2-CG2 4.22Å; Y14-V38 HydrophobicContact CE2-CG2 3.79Å |
| 15 | N | 93.3 | Very high | 89.6 | Confident | 104 Ų | 104 | 85.2 Ų | 85.2 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 115.1 | 171.7 | -73.2 | -68.2 | 0 | 0 | 0 | 109 | E13 T35 | E13-N15 PolarHBondContact OE1-ND2 2.87Å; N15-T35 PolarHBondContact OD1-OG1 3.24Å; N15-T35 VanDerWaalsContact OD1-OG1 3.11Å |
| 16 | I | 91.6 | Very high | 89.9 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.7 | -175.1 | -57.2 | 171 | 0 | 0 | 0 | 108 | S33 I34 L36 | I16-S33 CarbonylContact O-C 3.28Å; I16-S33 WeakPolarHBondContact O-CA 3.01Å; I16-I34 HydrophobicContact CB-CB 4.42Å; I16-I34 PolarHBondContact N-O 2.8Å; I16-I34 PolarHBondContact O-N 3.33Å; I16-L36 HydrophobicContact CD1-CD1 4.22Å |
| 17 | T | 95.4 | Very high | 90.3 | Very high | 79 Ų | 79 | 89 Ų | 89 | 49% | 0.485 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.6 | 175.3 | -52.6 | 0 | 0 | 0 | 0 | 110 | E31 | T17-E31 HydrophobicContact CG2-CB 4.16Å; T17-E31 HydrophobicContact CG2-CG 4.42Å |
| 18 | I | 93.8 | Very high | 91 | Very high | 77 Ų | 77 | 91.7 Ų | 91.7 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116 | 173.7 | -57.7 | 175.7 | 0 | 0 | 0 | 107.9 | V20 E31 H32 I34 | I18-V20 HydrophobicContact CG2-CG2 4.31Å; I18-E31 CarbonylContact O-C 3.4Å; I18-E31 VanDerWaalsContact O-CA 3.26Å; I18-E31 WeakPolarHBondContact O-CA 3.26Å; I18-H32 PolarHBondContact N-O 3.38Å; I18-H32 PolarHBondContact O-N 2.83Å; I18-I34 HydrophobicContact CD1-CD1 3.53Å; I18-I34 HydrophobicContact CD1-CG1 4.35Å; I18-I34 HydrophobicContact CG1-CD1 4.43Å |
| 19 | T | 95 | Very high | 91.4 | Very high | 71 Ų | 71 | 94.5 Ų | 94.5 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.5 | 172.9 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | K29 T30 E31 | T19-K29 HydrophobicContact CG2-CB 4.41Å; T19-T30 WeakPolarHBondContact CA-O 3.36Å; T19-E31 HydrophobicContact CG2-CG 3.92Å |
| 20 | V | 92.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 95.1 Ų | 95.1 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.9 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | I18 K29 T30 | I18-V20 HydrophobicContact CG2-CG2 4.31Å; V20-K29 CarbonylContact O-C 3.59Å; V20-K29 WeakPolarHBondContact O-CA 3.43Å; V20-T30 PolarHBondContact N-O 2.78Å; V20-T30 PolarHBondContact O-N 2.88Å |
| 21 | T | 95.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 96 Ų | 96 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.3 | 176.3 | -49.7 | 0 | 0 | 0 | 0 | 109.2 | R27 L28 K29 | T21-R27 HydrophobicContact CG2-CB 4.22Å; T21-R27 VanDerWaalsContact CG2-NH2 3.32Å; T21-L28 WeakPolarHBondContact CA-O 3.44Å; T21-K29 HydrophobicContact CG2-CB 4.36Å |
| 22 | D | 92.6 | Very high | 92.7 | Very high | 64 Ų | 64 | 97.3 Ų | 97.3 | 34% | 0.342 | 53% | 0.525 | S | S | . | . | trans | -78.7 | 177 | 174.6 | 71.6 | 25.6 | 0 | 0 | 0 | 112.3 | G24 R27 L28 | D22-G24 PolarHBondContact OD1-N 2.93Å; D22-R27 PolarHBondContact O-NE 2.84Å; D22-R27 PolarHBondContact O-NH2 2.77Å; D22-R27 VanDerWaalsContact OD1-CA 3.26Å; D22-R27 WeakPolarHBondContact OD1-CA 3.49Å; D22-L28 PolarHBondContact N-O 3.37Å; D22-L28 PolarHBondContact OD1-N 3.11Å; D22-L28 VanDerWaalsContact OD2-CB 3.32Å; D22-L28 WeakPolarHBondContact OD2-CB 3.42Å; D22-L28 PolarHBondContact OD2-N 2.91Å | ||
| 23 | L | 94.2 | Very high | 93.1 | Very high | 162 Ų | 162 | 98.4 Ų | 98.4 | 85% | 0.848 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -103.2 | 18.1 | 176 | -61.5 | 177.3 | 0 | 0 | 0 | 112.2 | ||
| 24 | G | 91.4 | Very high | 93.2 | Very high | 31 Ų | 31 | 98 Ų | 98 | 32% | 0.32 | 53% | 0.529 | S | S | . | . | trans | -74.3 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D22 P26 R27 | D22-G24 PolarHBondContact OD1-N 2.93Å; G24-P26 CarbonylContact C-O 3.58Å; G24-P26 CarbonylContact O-C 3.34Å; G24-R27 WeakPolarHBondContact O-CA 3.26Å; G24-R27 WeakPolarHBondContact O-CG 3.2Å; G24-R27 PolarHBondContact O-N 2.84Å | ||
| 25 | T | 92.4 | Very high | 93.3 | Very high | 151 Ų | 151 | 98.3 Ų | 98.3 | 93% | 0.926 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -129.3 | 102.8 | 171.2 | -39.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 26 | P | 87.2 | Confident | 93.1 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | S | Bend | cis | -72.5 | 154.1 | 2.2 | 31.8 | -35.4 | 0 | 0 | 0 | 112.9 | G24 | G24-P26 CarbonylContact C-O 3.58Å; G24-P26 CarbonylContact O-C 3.34Å |
| 27 | R | 91.4 | Very high | 93 | Very high | 157 Ų | 157 | 100.6 Ų | 100.6 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 132.7 | 177.3 | -62.5 | 178.8 | 74.5 | -169.5 | 3.6 | 110.3 | T21 D22 G24 | T21-R27 HydrophobicContact CG2-CB 4.22Å; T21-R27 VanDerWaalsContact CG2-NH2 3.32Å; D22-R27 PolarHBondContact O-NE 2.84Å; D22-R27 PolarHBondContact O-NH2 2.77Å; D22-R27 VanDerWaalsContact OD1-CA 3.26Å; D22-R27 WeakPolarHBondContact OD1-CA 3.49Å; G24-R27 WeakPolarHBondContact O-CA 3.26Å; G24-R27 WeakPolarHBondContact O-CG 3.2Å; G24-R27 PolarHBondContact O-N 2.84Å |
| 28 | L | 93.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 97.8 Ų | 97.8 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 147 | 169.6 | -57 | 176 | 0 | 0 | 0 | 110.3 | T21 D22 | T21-L28 WeakPolarHBondContact CA-O 3.44Å; D22-L28 PolarHBondContact N-O 3.37Å; D22-L28 PolarHBondContact OD1-N 3.11Å; D22-L28 VanDerWaalsContact OD2-CB 3.32Å; D22-L28 WeakPolarHBondContact OD2-CB 3.42Å; D22-L28 PolarHBondContact OD2-N 2.91Å |
| 29 | K | 93.7 | Very high | 92 | Very high | 143 Ų | 143 | 98.7 Ų | 98.7 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.2 | 174.1 | 56.7 | 173.7 | 178.5 | 169.9 | 0 | 111 | T19 V20 T21 | T19-K29 HydrophobicContact CG2-CB 4.41Å; V20-K29 CarbonylContact O-C 3.59Å; V20-K29 WeakPolarHBondContact O-CA 3.43Å; T21-K29 HydrophobicContact CG2-CB 4.36Å |
| 30 | T | 93.2 | Very high | 91.1 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.3 | 173.9 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | T19 V20 | T19-T30 WeakPolarHBondContact CA-O 3.36Å; V20-T30 PolarHBondContact N-O 2.78Å; V20-T30 PolarHBondContact O-N 2.88Å |
| 31 | E | 95.4 | Very high | 90.2 | Very high | 115 Ų | 115 | 99.5 Ų | 99.5 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.6 | -179.8 | -67.2 | 177.8 | -176.3 | 0 | 0 | 109.9 | T17 I18 T19 | T17-E31 HydrophobicContact CG2-CB 4.16Å; T17-E31 HydrophobicContact CG2-CG 4.42Å; I18-E31 CarbonylContact O-C 3.4Å; I18-E31 VanDerWaalsContact O-CA 3.26Å; I18-E31 WeakPolarHBondContact O-CA 3.26Å; T19-E31 HydrophobicContact CG2-CG 3.92Å |
| 32 | H | 94.9 | Very high | 89 | Confident | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.9 | 173.1 | -166.3 | 67.2 | 0 | 0 | 0 | 109.9 | I18 | I18-H32 PolarHBondContact N-O 3.38Å; I18-H32 PolarHBondContact O-N 2.83Å |
| 33 | S | 95 | Very high | 87.9 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 54% | 0.538 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 132.8 | -177.7 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | I16 | I16-S33 CarbonylContact O-C 3.28Å; I16-S33 WeakPolarHBondContact O-CA 3.01Å |
| 34 | I | 93.7 | Very high | 86.8 | Confident | 69 Ų | 69 | 101.9 Ų | 101.9 | 35% | 0.354 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.4 | 174.7 | -57.4 | 176.3 | 0 | 0 | 0 | 108 | I16 I18 | I16-I34 HydrophobicContact CB-CB 4.42Å; I16-I34 PolarHBondContact N-O 2.8Å; I16-I34 PolarHBondContact O-N 3.33Å; I18-I34 HydrophobicContact CD1-CD1 3.53Å; I18-I34 HydrophobicContact CD1-CG1 4.35Å; I18-I34 HydrophobicContact CG1-CD1 4.43Å |
| 35 | T | 93.1 | Very high | 86.2 | Confident | 77 Ų | 77 | 104.3 Ų | 104.3 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 118 | 173.1 | -56.7 | 0 | 0 | 0 | 0 | 109 | E13 N15 | E13-T35 HydrophobicContact CG-CG2 3.63Å; E13-T35 WeakPolarHBondContact OE2-CG2 3.48Å; N15-T35 PolarHBondContact OD1-OG1 3.24Å; N15-T35 VanDerWaalsContact OD1-OG1 3.11Å |
| 36 | L | 88.5 | Confident | 85.7 | Confident | 79 Ų | 79 | 101.4 Ų | 101.4 | 41% | 0.414 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 116.4 | -177.9 | -150.7 | 128.1 | 0 | 0 | 0 | 109 | E13 Y14 I16 | E13-L36 CarbonylContact C-O 3.51Å; E13-L36 WeakPolarHBondContact CA-O 3.18Å; Y14-L36 PolarHBondContact N-O 3.37Å; Y14-L36 PolarHBondContact O-N 3.17Å; I16-L36 HydrophobicContact CD1-CD1 4.22Å |
| 37 | Q | 89.4 | Confident | 85.6 | Confident | 150 Ų | 150 | 99.1 Ų | 99.1 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 130 | -178.8 | -66.8 | -175.4 | -27.1 | 0 | 0 | 110.3 | ||
| 38 | V | 87.4 | Confident | 85.5 | Confident | 21 Ų | 21 | 98 Ų | 98 | 13% | 0.127 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -81 | 120.7 | 173.6 | -175.1 | 0 | 0 | 0 | 0 | 108 | L6 R8 K11 A12 Y14 | L6-V38 HydrophobicContact CB-CG1 4.17Å; R8-V38 HydrophobicContact CB-CB 4.41Å; R8-V38 HydrophobicContact CB-CG1 4.01Å; R8-V38 HydrophobicContact CG-CB 4.39Å; R8-V38 HydrophobicContact CG-CG1 4.49Å; K11-V38 WeakPolarHBondContact O-CG2 3.22Å; A12-V38 PolarHBondContact O-N 2.86Å; Y14-V38 HydrophobicContact CD2-CG2 4.22Å; Y14-V38 HydrophobicContact CE2-CG2 3.79Å |
| 39 | S | 80.9 | Confident | 85.2 | Confident | 95 Ų | 95 | 97 Ų | 97 | 66% | 0.664 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 137.5 | 177.9 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 40 | D | 76.1 | Confident | 84.8 | Confident | 93 Ų | 93 | 95.5 Ų | 95.5 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 131.8 | 172.1 | -164.4 | 3.9 | 0 | 0 | 0 | 110.9 | R8 | R8-D40 IonicContact CZ-OD1 3.12Å; R8-D40 IonicContact CZ-OD2 3.11Å; R8-D40 IonicContact NE-OD1 3.51Å; R8-D40 VanDerWaalsContact NH1-CB 3.28Å; R8-D40 IonicContact NH1-OD1 3.47Å; R8-D40 PolarHBondContact NH1-OD1 2.58Å; R8-D40 IonicContact NH1-OD2 2.7Å; R8-D40 PolarHBondContact NH1-OD2 3.07Å; R8-D40 IonicContact NH2-OD1 3.05Å; R8-D40 PolarHBondContact NH2-OD1 3.24Å; R8-D40 IonicContact NH2-OD2 3.07Å; R8-D40 PolarHBondContact NH2-OD2 2.7Å; R8-D40 VanDerWaalsContact NH2-OD2 3.07Å |
| 41 | V | 75.1 | Confident | 84.5 | Confident | 91 Ų | 91 | 98.2 Ų | 98.2 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | trans | -120.6 | 131.6 | 165.4 | 178.4 | 0 | 0 | 0 | 0 | 105.1 | D43 | V41-D43 HydrophobicContact CG1-CB 4.47Å; V41-D43 PolarHBondContact O-N 3.05Å; V41-D43 VanDerWaalsContact O-OD1 3.08Å | ||
| 42 | N | 69.9 | Low | 84.2 | Confident | 143 Ų | 143 | 96.9 Ų | 96.9 | 77% | 0.765 | 56% | 0.559 | S | S | * | * | trans | -74.7 | 71.6 | 176.9 | -172.7 | 25.6 | 0 | 0 | 0 | 110.5 | ||||
| 43 | D | 69.1 | Low | 84 | Confident | 100 Ų | 100 | 94.2 Ų | 94.2 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | trans | -96.7 | -9.9 | 176.9 | 60.7 | -3.1 | 0 | 0 | 0 | 112.9 | V41 A45 | V41-D43 HydrophobicContact CG1-CB 4.47Å; V41-D43 PolarHBondContact O-N 3.05Å; V41-D43 VanDerWaalsContact O-OD1 3.08Å; D43-A45 PolarHBondContact O-N 3.47Å | ||
| 44 | N | 71.6 | Confident | 83.8 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | trans | -93.2 | 82 | 172.3 | -70.6 | -70.2 | 0 | 0 | 0 | 110.7 | E9 | E9-N44 VanDerWaalsContact CD-ND2 3.34Å; E9-N44 WeakPolarHBondContact CG-ND2 3.44Å | ||
| 45 | A | 79.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | trans | -68.2 | 134.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D43 A47 | D43-A45 PolarHBondContact O-N 3.47Å; A45-A47 PolarHBondContact O-N 3.36Å | ||
| 46 | P | 82.2 | Confident | 83.3 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | trans | -62.5 | 132.3 | -176.5 | 23.1 | -32.2 | 0 | 0 | 0 | 111 | A72 T73 | P46-A72 HydrophobicContact CB-CB 4.13Å; P46-T73 CarbonylContact C-O 3.52Å; P46-T73 WeakPolarHBondContact CA-O 3.28Å | ||
| 47 | A | 84.9 | Confident | 83.3 | Confident | 62 Ų | 62 | 102.9 Ų | 102.9 | 51% | 0.512 | 58% | 0.581 | S | S | . | * | trans | -107.5 | 136.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A45 A72 T73 | A45-A47 PolarHBondContact O-N 3.36Å; A47-A72 WeakPolarHBondContact O-CA 3.18Å; A47-A72 WeakPolarHBondContact O-CB 3.32Å; A47-T73 PolarHBondContact N-O 3.46Å; A47-T73 PolarHBondContact O-N 2.65Å; A47-T73 VanDerWaalsContact O-N 3.12Å | ||
| 48 | F | 89.4 | Confident | 83.3 | Confident | 133 Ų | 133 | 106.1 Ų | 106.1 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | B | Isolated β-bridge | trans | -64.1 | 141.5 | 171.9 | -73.1 | -75.8 | 0 | 0 | 0 | 110.7 | Q50 Y53 V70 A72 | F48-Q50 PolarHBondContact O-N 2.84Å; F48-Y53 HydrophobicContact CB-CE2 4.13Å; F48-Y53 HydrophobicContact CD1-CE2 4.05Å; F48-Y53 HydrophobicContact CG-CE2 4.36Å; F48-V70 HydrophobicContact CE1-CG2 4.03Å; F48-A72 HydrophobicContact CD1-CB 4.07Å; F48-A72 HydrophobicContact CE1-CB 4.35Å; F48-A72 HydrophobicContact CG-CB 4.37Å |
| 49 | T | 86.3 | Confident | 83.2 | Confident | 96 Ų | 96 | 114 Ų | 114 | 59% | 0.589 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -66.8 | -20.3 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | Y53 S71 | T49-Y53 PolarHBondContact N-OH 3.35Å; T49-Y53 PolarHBondContact OG1-OH 3.06Å; T49-S71 PolarHBondContact N-O 3.25Å |
| 50 | Q | 86 | Confident | 83.5 | Confident | 112 Ų | 112 | 117.5 Ų | 117.5 | 52% | 0.523 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -134.2 | 146.1 | 177 | -62.4 | -176.9 | -48.8 | 0 | 0 | 111 | F48 S52 Y53 | F48-Q50 PolarHBondContact O-N 2.84Å; Q50-S52 PolarHBondContact O-N 3.12Å; Q50-Y53 HydrophobicContact CB-CD1 4.29Å; Q50-Y53 HydrophobicContact CB-CE1 3.84Å; Q50-Y53 HydrophobicContact CB-CE2 4.12Å; Q50-Y53 HydrophobicContact CG-CE1 3.97Å; Q50-Y53 PolarHBondContact N-OH 3.01Å; Q50-Y53 VanDerWaalsContact OE1-CE1 3.24Å |
| 51 | T | 85.8 | Confident | 84 | Confident | 158 Ų | 158 | 116.5 Ų | 116.5 | 97% | 0.969 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -66.1 | -24.3 | 173.2 | -43.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 52 | S | 89 | Confident | 84.7 | Confident | 86 Ų | 86 | 115.8 Ų | 115.8 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | trans | -151.8 | 137.6 | 177.2 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | Q50 | Q50-S52 PolarHBondContact O-N 3.12Š| ||
| 53 | Y | 90.4 | Very high | 85.3 | Confident | 72 Ų | 72 | 115.1 Ų | 115.1 | 28% | 0.282 | 63% | 0.631 | S | S | . | * | trans | -113.1 | 126.3 | 173.3 | -60.8 | -90.9 | 0 | 0 | 0 | 109.9 | F48 T49 Q50 V70 S71 | F48-Y53 HydrophobicContact CB-CE2 4.13Å; F48-Y53 HydrophobicContact CD1-CE2 4.05Å; F48-Y53 HydrophobicContact CG-CE2 4.36Å; T49-Y53 PolarHBondContact N-OH 3.35Å; T49-Y53 PolarHBondContact OG1-OH 3.06Å; Q50-Y53 HydrophobicContact CB-CD1 4.29Å; Q50-Y53 HydrophobicContact CB-CE1 3.84Å; Q50-Y53 HydrophobicContact CB-CE2 4.12Å; Q50-Y53 HydrophobicContact CG-CE1 3.97Å; Q50-Y53 PolarHBondContact N-OH 3.01Å; Q50-Y53 VanDerWaalsContact OE1-CE1 3.24Å; Y53-V70 HydrophobicContact CD1-CG1 3.76Å; Y53-V70 HydrophobicContact CD2-CB 4.4Å; Y53-V70 HydrophobicContact CD2-CG1 3.73Å; Y53-V70 HydrophobicContact CE1-CB 4.42Å; Y53-V70 HydrophobicContact CE1-CG1 4.07Å; Y53-V70 HydrophobicContact CE2-CB 4.23Å; Y53-V70 HydrophobicContact CE2-CG1 4.04Å; Y53-V70 HydrophobicContact CG-CG1 3.58Å; Y53-S71 PolarHBondContact OH-O 3.43Å | ||
| 54 | T | 91 | Very high | 86 | Confident | 106 Ų | 106 | 115.6 Ų | 115.6 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | trans | -113.4 | 122.6 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 109 | F56 | T54-F56 HydrophobicContact CG2-CE1 4.43Å; T54-F56 HydrophobicContact CG2-CE2 4Å; T54-F56 HydrophobicContact CG2-CZ 3.85Å | ||
| 55 | L | 88.8 | Confident | 86.8 | Confident | 100 Ų | 100 | 114.9 Ų | 114.9 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | trans | -119 | 140.7 | 179 | -59.9 | 171.2 | 0 | 0 | 0 | 109.5 | I67 | L55-I67 HydrophobicContact CB-CG2 3.9Å; L55-I67 HydrophobicContact CD1-CG2 4.13Å | ||
| 56 | F | 88.2 | Confident | 87.2 | Confident | 190 Ų | 190 | 117.7 Ų | 117.7 | 83% | 0.833 | 64% | 0.643 | S | S | * | * | trans | -111.2 | 132.1 | 178.4 | -62.5 | -82.6 | 0 | 0 | 0 | 110.1 | T54 | T54-F56 HydrophobicContact CG2-CE1 4.43Å; T54-F56 HydrophobicContact CG2-CE2 4Å; T54-F56 HydrophobicContact CG2-CZ 3.85Å | ||
| 57 | V | 88.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 117.9 Ų | 117.9 | 53% | 0.527 | 64% | 0.638 | S | S | . | * | trans | -128 | 136.9 | 177.3 | 65.7 | 0 | 0 | 0 | 0 | 109 | N61 L65 I67 | V57-N61 VanDerWaalsContact CG2-ND2 3.32Å; V57-N61 WeakPolarHBondContact CG2-ND2 3.39Å; V57-L65 HydrophobicContact CG2-CD2 4.36Å; V57-I67 HydrophobicContact CB-CD1 4.41Å; V57-I67 HydrophobicContact CB-CG2 4.42Å; V57-I67 HydrophobicContact CG2-CD1 4.29Å; V57-I67 HydrophobicContact CG2-CG1 4.27Å | ||
| 58 | R | 90 | Very high | 87.5 | Confident | 218 Ų | 218 | 116.5 Ų | 116.5 | 82% | 0.823 | 63% | 0.63 | S | S | * | * | trans | -73.7 | 157.7 | 175 | -70.9 | -177.1 | 179.3 | 157.6 | -0 | 110.7 | N61 | R58-N61 PolarHBondContact N-ND2 2.71Å; R58-N61 PolarHBondContact O-ND2 3.47Å | ||
| 59 | E | 83.4 | Confident | 87.6 | Confident | 187 Ų | 187 | 115.2 Ų | 115.2 | 87% | 0.874 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -69.6 | 157.9 | 166.5 | 63.5 | -170.9 | 137 | 0 | 0 | 110.9 | ||
| 60 | N | 88.6 | Confident | 87.7 | Confident | 168 Ų | 168 | 114.5 Ų | 114.5 | 90% | 0.898 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 64.3 | 36.7 | 176.6 | -157.1 | 37.2 | 0 | 0 | 0 | 116.3 | ||
| 61 | N | 86 | Confident | 87.8 | Confident | 73 Ų | 73 | 112.6 Ų | 112.6 | 39% | 0.39 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 156.4 | 173.8 | -79.5 | -60.4 | 0 | 0 | 0 | 113 | V57 R58 L65 | V57-N61 VanDerWaalsContact CG2-ND2 3.32Å; V57-N61 WeakPolarHBondContact CG2-ND2 3.39Å; R58-N61 PolarHBondContact N-ND2 2.71Å; R58-N61 PolarHBondContact O-ND2 3.47Å; N61-L65 HydrophobicContact CB-CB 4.28Å; N61-L65 HydrophobicContact CB-CD2 3.55Å; N61-L65 VanDerWaalsContact OD1-CD2 3.28Å; N61-L65 WeakPolarHBondContact OD1-CD2 3.37Å |
| 62 | S | 89.6 | Confident | 87.8 | Confident | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 145.9 | 175.5 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | A64 L65 | S62-A64 PolarHBondContact O-N 3.1Å; S62-L65 PolarHBondContact O-N 3.45Å |
| 63 | P | 83.8 | Confident | 87.2 | Confident | 129 Ų | 129 | 109.8 Ų | 109.8 | 84% | 0.838 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 138.5 | 168 | -23.6 | 33 | 0 | 0 | 0 | 110.5 | ||
| 64 | A | 83.6 | Confident | 87.1 | Confident | 109 Ų | 109 | 111.7 Ų | 111.7 | 90% | 0.901 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.5 | 23.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S62 H66 | S62-A64 PolarHBondContact O-N 3.1Å; A64-H66 PolarHBondContact O-N 3.48Å |
| 65 | L | 87.7 | Confident | 86.8 | Confident | 78 Ų | 78 | 111.9 Ų | 111.9 | 41% | 0.408 | 63% | 0.63 | S | S | . | * | trans | -60.4 | 124.8 | 169.7 | -178.9 | 66.9 | 0 | 0 | 0 | 111 | V57 N61 S62 I67 | V57-L65 HydrophobicContact CG2-CD2 4.36Å; N61-L65 HydrophobicContact CB-CB 4.28Å; N61-L65 HydrophobicContact CB-CD2 3.55Å; N61-L65 VanDerWaalsContact OD1-CD2 3.28Å; N61-L65 WeakPolarHBondContact OD1-CD2 3.37Å; S62-L65 PolarHBondContact O-N 3.45Å; L65-I67 PolarHBondContact O-N 3.2Å | ||
| 66 | H | 87.7 | Confident | 86.7 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 65% | 0.653 | 64% | 0.636 | S | S | * | * | trans | -74.7 | 119.4 | 171.2 | -179.3 | 72.3 | 0 | 0 | 0 | 110.1 | A64 G68 | A64-H66 PolarHBondContact O-N 3.48Å; H66-G68 VanDerWaalsContact CE1-C 3.48Å; H66-G68 PolarHBondContact CE1-O 3.41Å; H66-G68 PolarHBondContact NE2-O 3.25Å | ||
| 67 | I | 88.3 | Confident | 86.7 | Confident | 95 Ų | 95 | 108.1 Ų | 108.1 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | trans | -90.9 | -33.6 | -174.4 | -58.4 | 172.1 | 0 | 0 | 0 | 111.6 | L55 V57 L65 | L55-I67 HydrophobicContact CB-CG2 3.9Å; L55-I67 HydrophobicContact CD1-CG2 4.13Å; V57-I67 HydrophobicContact CB-CD1 4.41Å; V57-I67 HydrophobicContact CB-CG2 4.42Å; V57-I67 HydrophobicContact CG2-CD1 4.29Å; V57-I67 HydrophobicContact CG2-CG1 4.27Å; L65-I67 PolarHBondContact O-N 3.2Å | ||
| 68 | G | 86.2 | Confident | 86.5 | Confident | 33 Ų | 33 | 109.4 Ų | 109.4 | 34% | 0.34 | 63% | 0.631 | S | S | . | * | trans | 168.4 | 172.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | H66 | H66-G68 VanDerWaalsContact CE1-C 3.48Å; H66-G68 PolarHBondContact CE1-O 3.41Å; H66-G68 PolarHBondContact NE2-O 3.25Å | ||
| 69 | S | 89.6 | Confident | 86.3 | Confident | 105 Ų | 105 | 102.1 Ų | 102.1 | 73% | 0.734 | 62% | 0.618 | S | S | * | * | trans | -127.1 | 147.6 | 174.7 | 53.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 70 | V | 89.8 | Confident | 86.5 | Confident | 81 Ų | 81 | 96.1 Ų | 96.1 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | trans | -115 | 151.8 | 171.6 | -63.6 | 0 | 0 | 0 | 0 | 108.4 | F48 Y53 | F48-V70 HydrophobicContact CE1-CG2 4.03Å; Y53-V70 HydrophobicContact CD1-CG1 3.76Å; Y53-V70 HydrophobicContact CD2-CB 4.4Å; Y53-V70 HydrophobicContact CD2-CG1 3.73Å; Y53-V70 HydrophobicContact CE1-CB 4.42Å; Y53-V70 HydrophobicContact CE1-CG1 4.07Å; Y53-V70 HydrophobicContact CE2-CB 4.23Å; Y53-V70 HydrophobicContact CE2-CG1 4.04Å; Y53-V70 HydrophobicContact CG-CG1 3.58Å | ||
| 71 | S | 86.8 | Confident | 86.3 | Confident | 72 Ų | 72 | 90.5 Ų | 90.5 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | trans | -132.1 | 146.8 | -177.3 | -177 | 0 | 0 | 0 | 0 | 110 | T49 Y53 | T49-S71 PolarHBondContact N-O 3.25Å; Y53-S71 PolarHBondContact OH-O 3.43Å | ||
| 72 | A | 85.8 | Confident | 86.4 | Confident | 40 Ų | 40 | 92 Ų | 92 | 33% | 0.331 | 59% | 0.592 | S | S | . | * | B | Isolated β-bridge | trans | -134 | 146.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | P46 A47 F48 | P46-A72 HydrophobicContact CB-CB 4.13Å; A47-A72 WeakPolarHBondContact O-CA 3.18Å; A47-A72 WeakPolarHBondContact O-CB 3.32Å; F48-A72 HydrophobicContact CD1-CB 4.07Å; F48-A72 HydrophobicContact CE1-CB 4.35Å; F48-A72 HydrophobicContact CG-CB 4.37Å |
| 73 | T | 77.7 | Confident | 86.1 | Confident | 145 Ų | 145 | 93.5 Ų | 93.5 | 89% | 0.89 | 60% | 0.598 | S | S | * | * | trans | -129 | 0 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 110.4 | P46 A47 | P46-T73 CarbonylContact C-O 3.52Å; P46-T73 WeakPolarHBondContact CA-O 3.28Å; A47-T73 PolarHBondContact N-O 3.46Å; A47-T73 PolarHBondContact O-N 2.65Å; A47-T73 VanDerWaalsContact O-N 3.12Å |
Retrieved 73 of 73 residues in 356.8 ms
(Link to these results)