| 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 | 33.3 | Very low | 32.2 | Very low | 183 Ų | 183 | 114.9 Ų | 114.9 | 90% | 0.901 | 67% | 0.668 | S | S | * | * | 0 | 120.4 | 0 | -179.8 | 178.6 | -83.1 | 0 | 0 | 106.2 | V17 L19 | M1-V17 HydrophobicContact CE-CG1 4.36Å; M1-L19 HydrophobicContact CE-CD2 3.99Å | |||
| 2 | T | 29.5 | Very low | 32.4 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 55% | 0.546 | 65% | 0.649 | S | S | . | * | trans | -120.2 | 111.4 | 179.5 | -47.4 | 0 | 0 | 0 | 0 | 106.6 | W4 | T2-W4 HydrophobicContact CG2-CZ2 3.98Š| ||
| 3 | S | 30.4 | Very low | 32.5 | Very low | 90 Ų | 90 | 109.2 Ų | 109.2 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 132 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 4 | W | 29 | Very low | 32.8 | Very low | 175 Ų | 175 | 105 Ų | 105 | 66% | 0.663 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.4 | 170.7 | -60.1 | 87.5 | 0 | 0 | 0 | 107.9 | T2 L6 | T2-W4 HydrophobicContact CG2-CZ2 3.98Å; W4-L6 PolarHBondContact O-N 3.04Å |
| 5 | N | 33.6 | Very low | 33.3 | Very low | 135 Ų | 135 | 100.7 Ų | 100.7 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.4 | 112.1 | 167.2 | -95 | -19.9 | 0 | 0 | 0 | 108 | D7 | N5-D7 PolarHBondContact O-N 2.96Å |
| 6 | L | 30.1 | Very low | 33.5 | Very low | 84 Ų | 84 | 98.4 Ų | 98.4 | 44% | 0.44 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 102.4 | 167.6 | -68 | 169.6 | 0 | 0 | 0 | 107.5 | W4 N14 | W4-L6 PolarHBondContact O-N 3.04Å; L6-N14 HydrophobicContact CB-CB 4.2Å; L6-N14 HydrophobicContact CD1-CB 3.63Å |
| 7 | D | 33 | Very low | 33.9 | Very low | 119 Ų | 119 | 95.2 Ų | 95.2 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | trans | 58.1 | 111.9 | 171.5 | -73.1 | -39 | 0 | 0 | 0 | 119.8 | N5 G9 | N5-D7 PolarHBondContact O-N 2.96Å; D7-G9 PolarHBondContact O-N 2.71Å; D7-G9 VanDerWaalsContact O-N 3.11Å | ||
| 8 | P | 31.2 | Very low | 34 | Very low | 137 Ų | 137 | 92.8 Ų | 92.8 | 89% | 0.89 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 22.2 | 175.3 | 33 | -33.6 | 0 | 0 | 0 | 114.6 | ||
| 9 | G | 34.8 | Very low | 34.2 | Very low | 77 Ų | 77 | 90.9 Ų | 90.9 | 79% | 0.794 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | 3.2 | -170 | 0 | 0 | 0 | 0 | 0 | 116.2 | D7 | D7-G9 PolarHBondContact O-N 2.71Å; D7-G9 VanDerWaalsContact O-N 3.11Å |
| 10 | N | 36.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 89.7 Ų | 89.7 | 59% | 0.594 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -137.3 | 131.5 | 176.8 | -162 | -2.7 | 0 | 0 | 0 | 106.5 | T12 | N10-T12 PolarHBondContact O-N 2.94Š|
| 11 | A | 32.9 | Very low | 34.6 | Very low | 64 Ų | 64 | 91.1 Ų | 91.1 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -72.1 | 48.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D31 | A11-D31 VanDerWaalsContact O-CG 3.26Å; A11-D31 VanDerWaalsContact O-OD2 3.14Å |
| 12 | T | 34.2 | Very low | 35.2 | Very low | 73 Ų | 73 | 87.2 Ų | 87.2 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | trans | -140.6 | 67.8 | 177.7 | 56.1 | 0 | 0 | 0 | 0 | 106.7 | N10 N14 | N10-T12 PolarHBondContact O-N 2.94Å; T12-N14 VanDerWaalsContact C-N 3.25Å; T12-N14 PolarHBondContact O-N 3.46Å; T12-N14 PolarHBondContact O-ND2 2.82Å | ||
| 13 | T | 33.6 | Very low | 35.9 | Very low | 83 Ų | 83 | 85.9 Ų | 85.9 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | trans | -68.2 | 87.4 | 174.3 | 26.5 | 0 | 0 | 0 | 0 | 109.1 | I15 | T13-I15 PolarHBondContact O-N 3.02Å; T13-I15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | N | 37.2 | Very low | 36.4 | Very low | 50 Ų | 50 | 91.1 Ų | 91.1 | 27% | 0.267 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 100.5 | 171.8 | -64 | -52.5 | 0 | 0 | 0 | 108.1 | L6 T12 Y28 | L6-N14 HydrophobicContact CB-CB 4.2Å; L6-N14 HydrophobicContact CD1-CB 3.63Å; T12-N14 VanDerWaalsContact C-N 3.25Å; T12-N14 PolarHBondContact O-N 3.46Å; T12-N14 PolarHBondContact O-ND2 2.82Å; N14-Y28 HydrophobicContact CB-CD1 4.16Å; N14-Y28 HydrophobicContact CB-CE1 4.01Å; N14-Y28 WeakPolarHBondContact OD1-CD1 3.35Å |
| 15 | I | 39.9 | Very low | 37 | Very low | 41 Ų | 41 | 85.8 Ų | 85.8 | 21% | 0.21 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.9 | 175.2 | -58 | 176.4 | 0 | 0 | 0 | 108.6 | T13 V17 M36 I52 | T13-I15 PolarHBondContact O-N 3.02Å; T13-I15 VanDerWaalsContact O-N 3.11Å; I15-V17 HydrophobicContact CG2-CG2 3.7Å; I15-M36 HydrophobicContact CB-CE 3.92Å; I15-M36 HydrophobicContact CD1-CE 4.4Å; I15-M36 HydrophobicContact CG2-CE 4.35Å; I15-I52 HydrophobicContact CD1-CG2 3.98Å |
| 16 | L | 37.1 | Very low | 37.5 | Very low | 63 Ų | 63 | 84 Ų | 84 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 105.2 | 170.7 | -151.3 | 87.9 | 0 | 0 | 0 | 109.3 | I26 | L16-I26 HydrophobicContact CD1-CB 4.27Å; L16-I26 HydrophobicContact CD1-CD1 3.69Å; L16-I26 HydrophobicContact CD1-CG1 3.81Å; L16-I26 HydrophobicContact CD1-CG2 3.48Å; L16-I26 VanDerWaalsContact CD1-CG2 3.48Å; L16-I26 HydrophobicContact CG-CD1 4.33Å; L16-I26 HydrophobicContact CG-CG1 4.37Å |
| 17 | V | 39.4 | Very low | 38.2 | Very low | 44 Ų | 44 | 83.9 Ų | 83.9 | 27% | 0.267 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 100.5 | 172.3 | -170.5 | 0 | 0 | 0 | 0 | 109.4 | M1 I15 L19 | M1-V17 HydrophobicContact CE-CG1 4.36Å; I15-V17 HydrophobicContact CG2-CG2 3.7Å; V17-L19 HydrophobicContact CG1-CD2 3.81Å; V17-L19 HydrophobicContact CG1-CG 4.11Å; V17-L19 PolarHBondContact O-N 2.83Å |
| 18 | G | 35.9 | Very low | 38.6 | Very low | 52 Ų | 52 | 85.3 Ų | 85.3 | 54% | 0.536 | 52% | 0.524 | S | S | . | . | trans | -74.1 | 102.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 19 | L | 37.8 | Very low | 38.9 | Very low | 58 Ų | 58 | 81.6 Ų | 81.6 | 30% | 0.304 | 50% | 0.496 | S | S | . | . | trans | -88.8 | 144.8 | 167.1 | -58.2 | 176.3 | 0 | 0 | 0 | 108.8 | M1 V17 T23 D38 | M1-L19 HydrophobicContact CE-CD2 3.99Å; V17-L19 HydrophobicContact CG1-CD2 3.81Å; V17-L19 HydrophobicContact CG1-CG 4.11Å; V17-L19 PolarHBondContact O-N 2.83Å; L19-T23 VanDerWaalsContact O-CB 3.31Å; L19-T23 WeakPolarHBondContact O-CB 3.44Å; L19-T23 PolarHBondContact O-OG1 3.22Å; L19-D38 WeakPolarHBondContact CD1-OD2 2.87Å | ||
| 20 | G | 36.6 | Very low | 39.2 | Very low | 66 Ų | 66 | 81.9 Ų | 81.9 | 68% | 0.68 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 162.1 | -161.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | D22 T23 | G20-D22 PolarHBondContact O-N 2.82Å; G20-T23 PolarHBondContact O-OG1 3.11Å |
| 21 | S | 40.9 | Very low | 39.6 | Very low | 120 Ų | 120 | 82 Ų | 82 | 84% | 0.839 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 7.3 | -20.4 | -174.1 | 69.5 | 0 | 0 | 0 | 0 | 124.1 | ||
| 22 | D | 44.5 | Very low | 40.1 | Very low | 101 Ų | 101 | 84.1 Ų | 84.1 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.2 | 14 | -169.6 | -67.9 | -65 | 0 | 0 | 0 | 114.1 | G20 K24 | G20-D22 PolarHBondContact O-N 2.82Å; D22-K24 PolarHBondContact O-N 3.46Å |
| 23 | T | 44.7 | Very low | 40.6 | Very low | 61 Ų | 61 | 82.7 Ų | 82.7 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | trans | -80.5 | 115 | 179.6 | -50.6 | 0 | 0 | 0 | 0 | 110.8 | L19 G20 | L19-T23 VanDerWaalsContact O-CB 3.31Å; L19-T23 WeakPolarHBondContact O-CB 3.44Å; L19-T23 PolarHBondContact O-OG1 3.22Å; G20-T23 PolarHBondContact O-OG1 3.11Å | ||
| 24 | K | 42.3 | Very low | 41.2 | Very low | 200 Ų | 200 | 82.1 Ų | 82.1 | 87% | 0.87 | 48% | 0.48 | S | S | * | . | trans | -110.1 | 12.6 | -177.2 | -68.4 | -160.7 | 177 | -166.7 | 0 | 114.5 | D22 | D22-K24 PolarHBondContact O-N 3.46Š| ||
| 25 | S | 40.8 | Very low | 41.4 | Very low | 62 Ų | 62 | 86.1 Ų | 86.1 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | trans | -144.9 | 133.2 | -177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 26 | I | 43.9 | Very low | 41.5 | Very low | 97 Ų | 97 | 85.7 Ų | 85.7 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | trans | -119.1 | 132.1 | 175.7 | -68.6 | 144 | 0 | 0 | 0 | 105.3 | L16 Y28 | L16-I26 HydrophobicContact CD1-CB 4.27Å; L16-I26 HydrophobicContact CD1-CD1 3.69Å; L16-I26 HydrophobicContact CD1-CG1 3.81Å; L16-I26 HydrophobicContact CD1-CG2 3.48Å; L16-I26 VanDerWaalsContact CD1-CG2 3.48Å; L16-I26 HydrophobicContact CG-CD1 4.33Å; L16-I26 HydrophobicContact CG-CG1 4.37Å; I26-Y28 HydrophobicContact CG2-CE2 4.14Å | ||
| 27 | V | 44.4 | Very low | 41.7 | Very low | 83 Ų | 83 | 84.8 Ų | 84.8 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | trans | -119.3 | 128.2 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 109 | C37 | V27-C37 WeakPolarHBondContact CB-O 3.09Å; V27-C37 VanDerWaalsContact CG2-O 3.24Å; V27-C37 WeakPolarHBondContact CG2-O 2.95Å | ||
| 28 | Y | 41.9 | Very low | 41.9 | Very low | 148 Ų | 148 | 84.2 Ų | 84.2 | 58% | 0.58 | 49% | 0.487 | S | S | * | . | trans | -89.3 | 143.3 | 175.9 | -64.3 | -86.9 | 0 | 0 | 0 | 109.9 | N14 I26 | N14-Y28 HydrophobicContact CB-CD1 4.16Å; N14-Y28 HydrophobicContact CB-CE1 4.01Å; N14-Y28 WeakPolarHBondContact OD1-CD1 3.35Å; I26-Y28 HydrophobicContact CG2-CE2 4.14Å | ||
| 29 | L | 37.3 | Very low | 42.3 | Very low | 59 Ų | 59 | 84.4 Ų | 84.4 | 31% | 0.309 | 48% | 0.476 | S | S | . | . | trans | -109 | 143.3 | 172.6 | -76.3 | 160.9 | 0 | 0 | 0 | 111.7 | K35 M36 I52 | L29-K35 WeakPolarHBondContact CD1-O 3.2Å; L29-K35 WeakPolarHBondContact CD2-O 3.47Å; L29-M36 HydrophobicContact CD1-CB 4.21Å; L29-M36 HydrophobicContact CD1-CG 3.46Å; L29-M36 VanDerWaalsContact CD1-CG 3.46Å; L29-I52 HydrophobicContact CD1-CD1 3.71Å | ||
| 30 | D | 41.7 | Very low | 42.5 | Very low | 84 Ų | 84 | 83 Ų | 83 | 45% | 0.449 | 47% | 0.47 | S | S | . | . | trans | -77.8 | 142.4 | 167.1 | -159.6 | -23.8 | 0 | 0 | 0 | 108.8 | S32 A33 P77 | D30-S32 PolarHBondContact O-N 2.78Å; D30-A33 PolarHBondContact O-N 3.11Å; D30-P77 HydrophobicContact CB-CB 4.48Å; D30-P77 WeakPolarHBondContact OD2-CB 3.4Å; D30-P77 WeakPolarHBondContact OD2-CG 3.31Å | ||
| 31 | D | 43.7 | Very low | 42.6 | Very low | 114 Ų | 114 | 82.9 Ų | 82.9 | 61% | 0.61 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 1.4 | -169.2 | -156.6 | 29.7 | 0 | 0 | 0 | 113.6 | A11 | A11-D31 VanDerWaalsContact O-CG 3.26Å; A11-D31 VanDerWaalsContact O-OD2 3.14Å |
| 32 | S | 44.4 | Very low | 42.6 | Very low | 108 Ų | 108 | 82.2 Ų | 82.2 | 76% | 0.755 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -4.7 | 176.9 | 60 | 0 | 0 | 0 | 0 | 114.4 | D30 | D30-S32 PolarHBondContact O-N 2.78Š|
| 33 | A | 44.8 | Very low | 42.2 | Very low | 43 Ų | 43 | 83.9 Ų | 83.9 | 36% | 0.355 | 46% | 0.464 | S | S | . | . | trans | -135.2 | 104.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | D30 K35 | D30-A33 PolarHBondContact O-N 3.11Å; A33-K35 PolarHBondContact O-N 2.86Å | ||
| 34 | N | 45.5 | Very low | 41.9 | Very low | 70 Ų | 70 | 83 Ų | 83 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | trans | -62.3 | 22.4 | 176.1 | -79.1 | -15.1 | 0 | 0 | 0 | 116 | D51 E53 | N34-D51 WeakPolarHBondContact O-CA 3.19Å; N34-E53 PolarHBondContact ND2-OE1 3.37Å; N34-E53 PolarHBondContact ND2-OE2 2.71Å | ||
| 35 | K | 40.7 | Very low | 41.8 | Very low | 134 Ų | 134 | 79.4 Ų | 79.4 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | B | Isolated β-bridge | trans | -124.2 | 103.1 | -162.7 | -65.1 | -173 | 178.3 | -177 | 0 | 114.6 | L29 A33 Y49 | L29-K35 WeakPolarHBondContact CD1-O 3.2Å; L29-K35 WeakPolarHBondContact CD2-O 3.47Å; A33-K35 PolarHBondContact O-N 2.86Å; K35-Y49 HydrophobicContact CB-CD1 4.5Å |
| 36 | M | 42.6 | Very low | 41.7 | Very low | 33 Ų | 33 | 78.1 Ų | 78.1 | 16% | 0.163 | 43% | 0.43 | C | S | . | . | trans | -75.1 | 155.2 | 174.6 | -69.8 | -176.1 | 165.6 | 0 | 0 | 112.6 | I15 L29 Y49 Q50 I52 | I15-M36 HydrophobicContact CB-CE 3.92Å; I15-M36 HydrophobicContact CD1-CE 4.4Å; I15-M36 HydrophobicContact CG2-CE 4.35Å; L29-M36 HydrophobicContact CD1-CB 4.21Å; L29-M36 HydrophobicContact CD1-CG 3.46Å; L29-M36 VanDerWaalsContact CD1-CG 3.46Å; M36-Y49 WeakPolarHBondContact O-CA 3.22Å; M36-Y49 WeakPolarHBondContact O-CB 3.45Å; M36-Y49 WeakPolarHBondContact O-CD1 3.08Å; M36-Q50 HydrophobicContact CB-CB 4.27Å; M36-Q50 WeakPolarHBondContact CB-O 3.49Å; M36-Q50 PolarHBondContact N-O 2.71Å; M36-Q50 VanDerWaalsContact N-O 3.11Å; M36-Q50 HydrophobicContact SD-CB 4.3Å; M36-I52 HydrophobicContact CE-CD1 3.47Å; M36-I52 VanDerWaalsContact CE-CD1 3.47Å; M36-I52 HydrophobicContact CE-CG1 3.69Å; M36-I52 HydrophobicContact CG-CD1 4.08Å; M36-I52 HydrophobicContact CG-CG1 4.02Å; M36-I52 HydrophobicContact SD-CD1 4.38Å; M36-I52 HydrophobicContact SD-CG1 4.12Å | ||
| 37 | C | 41 | Very low | 41.6 | Very low | 44 Ų | 44 | 75.5 Ų | 75.5 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | trans | -134.4 | 112.6 | 170 | -71.2 | 0 | 0 | 0 | 0 | 109.1 | V27 V47 Y49 | V27-C37 WeakPolarHBondContact CB-O 3.09Å; V27-C37 VanDerWaalsContact CG2-O 3.24Å; V27-C37 WeakPolarHBondContact CG2-O 2.95Å; C37-V47 HydrophobicContact CB-CG1 3.72Å; C37-Y49 WeakPolarHBondContact SG-CE1 3.24Å | ||
| 38 | D | 45.3 | Very low | 41.4 | Very low | 32 Ų | 32 | 73.9 Ų | 73.9 | 17% | 0.171 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130 | 172.3 | 172.6 | 24.8 | 0 | 0 | 0 | 110.5 | L19 V47 N48 | L19-D38 WeakPolarHBondContact CD1-OD2 2.87Å; D38-V47 CarbonylContact O-C 3.44Å; D38-V47 WeakPolarHBondContact O-CA 3.5Å; D38-N48 HydrophobicContact CB-CB 4.43Å; D38-N48 PolarHBondContact N-O 3.11Å; D38-N48 PolarHBondContact O-N 2.93Å |
| 39 | N | 43.9 | Very low | 41.3 | Very low | 56 Ų | 56 | 70.6 Ų | 70.6 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 95.7 | 176.4 | -164.9 | 3.3 | 0 | 0 | 0 | 110 | R71 | N39-R71 PolarHBondContact ND2-NH1 3.21Å; N39-R71 VanDerWaalsContact ND2-NH1 3.14Å; N39-R71 PolarHBondContact OD1-NH1 3.31Å |
| 40 | S | 40.9 | Very low | 41.6 | Very low | 27 Ų | 27 | 71.7 Ų | 71.7 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 131.1 | -172.7 | 85.3 | 0 | 0 | 0 | 0 | 112.3 | S44 T46 | S40-S44 CarbonylContact O-C 3.28Å; S40-S44 VanDerWaalsContact O-C 3.28Å; S40-S44 WeakPolarHBondContact O-CB 3.34Å; S40-T46 PolarHBondContact N-O 3.13Å; S40-T46 PolarHBondContact OG-OG1 3.37Å |
| 41 | T | 38.8 | Very low | 41.4 | Very low | 64 Ų | 64 | 70.3 Ų | 70.3 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | trans | 50.8 | 146.5 | 169.4 | 58.9 | 0 | 0 | 0 | 0 | 119.9 | T43 S44 R71 | T41-T43 PolarHBondContact O-N 3.36Å; T41-S44 PolarHBondContact O-N 3.07Å; T41-S44 WeakPolarHBondContact OG1-CB 3.43Å; T41-S44 PolarHBondContact OG1-N 3.22Å; T41-R71 PolarHBondContact O-NH1 2.71Å; T41-R71 PolarHBondContact O-NH2 3.22Å | ||
| 42 | P | 41.5 | Very low | 41.3 | Very low | 106 Ų | 106 | 67.4 Ų | 67.4 | 69% | 0.688 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -57 | -27.6 | -177.3 | -21.7 | 30 | 0 | 0 | 0 | 114.8 | R71 | P42-R71 PolarHBondContact O-NH2 3.17Å; P42-R71 VanDerWaalsContact O-NH2 3.17Å |
| 43 | T | 36.6 | Very low | 41 | Very low | 137 Ų | 137 | 69 Ų | 69 | 84% | 0.84 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -103.3 | -18.3 | -178.4 | 48.4 | 0 | 0 | 0 | 0 | 114 | T41 | T41-T43 PolarHBondContact O-N 3.36Š|
| 44 | S | 36.9 | Very low | 40.6 | Very low | 41 Ų | 41 | 71 Ų | 71 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | trans | -95.1 | 147.7 | 171.3 | -163.1 | 0 | 0 | 0 | 0 | 110.2 | S40 T41 T46 R71 | S40-S44 CarbonylContact O-C 3.28Å; S40-S44 VanDerWaalsContact O-C 3.28Å; S40-S44 WeakPolarHBondContact O-CB 3.34Å; T41-S44 PolarHBondContact O-N 3.07Å; T41-S44 WeakPolarHBondContact OG1-CB 3.43Å; T41-S44 PolarHBondContact OG1-N 3.22Å; S44-T46 PolarHBondContact OG-OG1 3.38Å; S44-T46 VanDerWaalsContact OG-OG1 3.13Å; S44-R71 PolarHBondContact O-NH2 2.82Å | ||
| 45 | R | 41.7 | Very low | 40 | Very low | 126 Ų | 126 | 74.6 Ų | 74.6 | 48% | 0.475 | 39% | 0.392 | S | S | . | . | trans | -120.2 | 29 | -177.1 | -64.2 | -179.5 | -178.7 | 153.1 | 1.3 | 110.3 | T67 | R45-T67 VanDerWaalsContact CZ-N 3.27Š| ||
| 46 | T | 38 | Very low | 39.6 | Very low | 35 Ų | 35 | 72 Ų | 72 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.6 | -179.2 | 43.2 | 0 | 0 | 0 | 0 | 109.1 | S40 S44 | S40-T46 PolarHBondContact N-O 3.13Å; S40-T46 PolarHBondContact OG-OG1 3.37Å; S44-T46 PolarHBondContact OG-OG1 3.38Å; S44-T46 VanDerWaalsContact OG-OG1 3.13Å |
| 47 | V | 41.3 | Very low | 39 | Very low | 41 Ų | 41 | 76.6 Ų | 76.6 | 25% | 0.248 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 113.1 | 166.4 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | C37 D38 Y49 | C37-V47 HydrophobicContact CB-CG1 3.72Å; D38-V47 CarbonylContact O-C 3.44Å; D38-V47 WeakPolarHBondContact O-CA 3.5Å; V47-Y49 HydrophobicContact CB-CE2 4.27Å; V47-Y49 HydrophobicContact CG1-CD2 4.27Å; V47-Y49 HydrophobicContact CG1-CE2 3.76Å |
| 48 | N | 41 | Very low | 38.5 | Very low | 50 Ų | 50 | 80.1 Ų | 80.1 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.7 | 175 | -69.8 | -30.6 | 0 | 0 | 0 | 109.2 | D38 | D38-N48 HydrophobicContact CB-CB 4.43Å; D38-N48 PolarHBondContact N-O 3.11Å; D38-N48 PolarHBondContact O-N 2.93Å |
| 49 | Y | 39.3 | Very low | 37.8 | Very low | 78 Ų | 78 | 80.6 Ų | 80.6 | 31% | 0.306 | 46% | 0.456 | S | S | . | . | trans | -95 | 135.1 | 169 | -65.7 | -102.2 | 0 | 0 | 0 | 108.9 | K35 M36 C37 V47 I62 | K35-Y49 HydrophobicContact CB-CD1 4.5Å; M36-Y49 WeakPolarHBondContact O-CA 3.22Å; M36-Y49 WeakPolarHBondContact O-CB 3.45Å; M36-Y49 WeakPolarHBondContact O-CD1 3.08Å; C37-Y49 WeakPolarHBondContact SG-CE1 3.24Å; V47-Y49 HydrophobicContact CB-CE2 4.27Å; V47-Y49 HydrophobicContact CG1-CD2 4.27Å; V47-Y49 HydrophobicContact CG1-CE2 3.76Å; Y49-I62 HydrophobicContact CE2-CB 4.39Å; Y49-I62 HydrophobicContact CE2-CD1 4.32Å | ||
| 50 | Q | 43.5 | Very low | 37.1 | Very low | 82 Ų | 82 | 80.4 Ų | 80.4 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | trans | -123 | 120.5 | 167.8 | -66.3 | -171.1 | 13.2 | 0 | 0 | 107.4 | M36 I52 | M36-Q50 HydrophobicContact CB-CB 4.27Å; M36-Q50 WeakPolarHBondContact CB-O 3.49Å; M36-Q50 PolarHBondContact N-O 2.71Å; M36-Q50 VanDerWaalsContact N-O 3.11Å; M36-Q50 HydrophobicContact SD-CB 4.3Å; Q50-I52 PolarHBondContact O-N 2.87Å | ||
| 51 | D | 38.4 | Very low | 36.5 | Very low | 55 Ų | 55 | 86.2 Ų | 86.2 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 119 | 165.5 | -85.3 | -63.2 | 0 | 0 | 0 | 108.7 | N34 E53 N54 S59 | N34-D51 WeakPolarHBondContact O-CA 3.19Å; D51-E53 PolarHBondContact O-N 3.13Å; D51-N54 CarbonylContact O-C 3.57Å; D51-N54 PolarHBondContact O-N 2.88Å; D51-N54 VanDerWaalsContact O-N 3.13Å; D51-S59 PolarHBondContact N-OG 3.27Å; D51-S59 VanDerWaalsContact N-OG 3.07Å; D51-S59 WeakPolarHBondContact OD2-CB 3.41Å; D51-S59 PolarHBondContact OD2-OG 3.37Å |
| 52 | I | 40.8 | Very low | 36.1 | Very low | 54 Ų | 54 | 87.8 Ų | 87.8 | 28% | 0.277 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -66.9 | -18.9 | -179.1 | -57.2 | 177.1 | 0 | 0 | 0 | 111.3 | I15 L29 M36 Q50 N54 I55 | I15-I52 HydrophobicContact CD1-CG2 3.98Å; L29-I52 HydrophobicContact CD1-CD1 3.71Å; M36-I52 HydrophobicContact CE-CD1 3.47Å; M36-I52 VanDerWaalsContact CE-CD1 3.47Å; M36-I52 HydrophobicContact CE-CG1 3.69Å; M36-I52 HydrophobicContact CG-CD1 4.08Å; M36-I52 HydrophobicContact CG-CG1 4.02Å; M36-I52 HydrophobicContact SD-CD1 4.38Å; M36-I52 HydrophobicContact SD-CG1 4.12Å; Q50-I52 PolarHBondContact O-N 2.87Å; I52-N54 PolarHBondContact O-N 2.99Å; I52-I55 WeakPolarHBondContact O-CG1 3Å |
| 53 | E | 37.8 | Very low | 35.3 | Very low | 142 Ų | 142 | 87 Ų | 87 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -73.1 | -14.2 | 175.5 | -71.9 | -174.6 | 166.2 | 0 | 0 | 113.7 | N34 D51 | N34-E53 PolarHBondContact ND2-OE1 3.37Å; N34-E53 PolarHBondContact ND2-OE2 2.71Å; D51-E53 PolarHBondContact O-N 3.13Å |
| 54 | N | 36.7 | Very low | 35.1 | Very low | 85 Ų | 85 | 89.9 Ų | 89.9 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -132.7 | 64.9 | 174.7 | -73.9 | -57.1 | 0 | 0 | 0 | 110.9 | D51 I52 G56 Q57 | D51-N54 CarbonylContact O-C 3.57Å; D51-N54 PolarHBondContact O-N 2.88Å; D51-N54 VanDerWaalsContact O-N 3.13Å; I52-N54 PolarHBondContact O-N 2.99Å; N54-G56 PolarHBondContact O-N 3.41Å; N54-Q57 HydrophobicContact CB-CB 3.93Å; N54-Q57 HydrophobicContact CB-CG 4.24Å; N54-Q57 PolarHBondContact O-N 2.89Å |
| 55 | I | 33.9 | Very low | 34.5 | Very low | 144 Ų | 144 | 90.9 Ų | 90.9 | 74% | 0.738 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 101.4 | 169.5 | -55.9 | -180 | 0 | 0 | 0 | 108.5 | I52 | I52-I55 WeakPolarHBondContact O-CG1 3Š|
| 56 | G | 31.8 | Very low | 34 | Very low | 80 Ų | 80 | 93.7 Ų | 93.7 | 83% | 0.825 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.5 | -5.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N54 | N54-G56 PolarHBondContact O-N 3.41Š|
| 57 | Q | 30.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | trans | -119.9 | 117.2 | 171.8 | -60.8 | -174.2 | -12.3 | 0 | 0 | 110.8 | N54 S59 | N54-Q57 HydrophobicContact CB-CB 3.93Å; N54-Q57 HydrophobicContact CB-CG 4.24Å; N54-Q57 PolarHBondContact O-N 2.89Å; Q57-S59 PolarHBondContact O-N 3.33Å | ||
| 58 | S | 30.2 | Very low | 33.1 | Very low | 119 Ų | 119 | 100.9 Ų | 100.9 | 83% | 0.832 | 57% | 0.565 | S | S | * | * | trans | -64.8 | 111 | 172.5 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | G60 | S58-G60 PolarHBondContact O-N 3.14Š| ||
| 59 | S | 29.2 | Very low | 32.6 | Very low | 41 Ų | 41 | 102.5 Ų | 102.5 | 29% | 0.287 | 59% | 0.594 | S | S | . | * | trans | -94 | 73.7 | 176.1 | 58.1 | 0 | 0 | 0 | 0 | 112 | D51 Q57 | D51-S59 PolarHBondContact N-OG 3.27Å; D51-S59 VanDerWaalsContact N-OG 3.07Å; D51-S59 WeakPolarHBondContact OD2-CB 3.41Å; D51-S59 PolarHBondContact OD2-OG 3.37Å; Q57-S59 PolarHBondContact O-N 3.33Å | ||
| 60 | G | 30.5 | Very low | 32.3 | Very low | 52 Ų | 52 | 107.4 Ų | 107.4 | 54% | 0.536 | 62% | 0.62 | S | S | . | * | trans | 73.2 | 140.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | S58 | S58-G60 PolarHBondContact O-N 3.14Š| ||
| 61 | E | 28.3 | Very low | 31.7 | Very low | 150 Ų | 150 | 108.8 Ų | 108.8 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.5 | 171.2 | -70.5 | 176.4 | 128.1 | 0 | 0 | 110.1 | ||
| 62 | I | 29.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.5 | 104.9 | 163.6 | -59.2 | 178 | 0 | 0 | 0 | 108.3 | Y49 R64 | Y49-I62 HydrophobicContact CE2-CB 4.39Å; Y49-I62 HydrophobicContact CE2-CD1 4.32Å; I62-R64 HydrophobicContact CG2-CG 4.26Å; I62-R64 PolarHBondContact O-N 2.84Å |
| 63 | A | 25.1 | Very low | 30.8 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77 | 110.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 64 | R | 31.5 | Very low | 30.3 | Very low | 198 Ų | 198 | 115.8 Ų | 115.8 | 75% | 0.747 | 68% | 0.682 | S | S | * | * | trans | -112.5 | 103 | 162.5 | -75.7 | -166.1 | -177.5 | -163.9 | 3.5 | 109.8 | I62 | I62-R64 HydrophobicContact CG2-CG 4.26Å; I62-R64 PolarHBondContact O-N 2.84Å | ||
| 65 | G | 25.8 | Very low | 30 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | trans | -76.2 | 137.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 66 | K | 31 | Very low | 29.7 | Very low | 185 Ų | 185 | 120.7 Ų | 120.7 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | 170.2 | 109.2 | 138.1 | -92.8 | 176.2 | -174.7 | -171 | 0 | 108.9 | ||||
| 67 | T | 27.2 | Very low | 29.6 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 58% | 0.577 | 68% | 0.678 | S | S | * | * | 67.7 | 106.7 | 114.2 | -0.8 | 0 | 0 | 0 | 0 | 114.6 | R45 | R45-T67 VanDerWaalsContact CZ-N 3.27Š| |||
| 68 | N | 33.4 | Very low | 29.6 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 65.7 | 107.1 | 157.4 | -58.4 | -5.3 | 0 | 0 | 0 | 118.5 | E70 | N68-E70 PolarHBondContact O-N 3.42Š|
| 69 | G | 30.1 | Very low | 29.7 | Very low | 85 Ų | 85 | 121.8 Ų | 121.8 | 88% | 0.876 | 68% | 0.676 | S | S | * | * | S | Bend | 89.9 | -6 | 121.7 | 0 | 0 | 0 | 0 | 0 | 120 | |||
| 70 | E | 32.1 | Very low | 29.6 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -128.3 | 110.2 | -174.8 | -64.8 | 179.5 | 158.7 | 0 | 0 | 110.9 | N68 | N68-E70 PolarHBondContact O-N 3.42Š| ||
| 71 | R | 30.8 | Very low | 29.3 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 42% | 0.419 | 71% | 0.714 | S | S | . | * | trans | -121.5 | 77.2 | 175.4 | -69.8 | -167.6 | -164.8 | -136.4 | 2.5 | 110.4 | N39 T41 P42 S44 | N39-R71 PolarHBondContact ND2-NH1 3.21Å; N39-R71 VanDerWaalsContact ND2-NH1 3.14Å; N39-R71 PolarHBondContact OD1-NH1 3.31Å; T41-R71 PolarHBondContact O-NH1 2.71Å; T41-R71 PolarHBondContact O-NH2 3.22Å; P42-R71 PolarHBondContact O-NH2 3.17Å; P42-R71 VanDerWaalsContact O-NH2 3.17Å; S44-R71 PolarHBondContact O-NH2 2.82Å | ||
| 72 | T | 28.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -145 | 104 | 162 | 9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 73 | A | 31.3 | Very low | 29.3 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -122.6 | 93.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 74 | I | 29.1 | Very low | 29.5 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -93 | 107.2 | 163 | -59.9 | 170.6 | 0 | 0 | 0 | 104.4 | ||||
| 75 | R | 30.5 | Very low | 29.4 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 61% | 0.611 | 75% | 0.751 | S | S | * | * | trans | -114.3 | 126.6 | 177.8 | -157 | 171.8 | -178.5 | 153.3 | 2.4 | 109.3 | D79 V81 | R75-D79 VanDerWaalsContact CZ-O 3.24Å; R75-D79 PolarHBondContact NE-O 3.05Å; R75-D79 PolarHBondContact NH2-O 3.41Å; R75-V81 PolarHBondContact NH2-O 2.67Å | ||
| 76 | K | 26 | Very low | 29.6 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 74% | 0.735 | 76% | 0.757 | S | S | * | * | trans | -70.1 | 152.1 | 174.9 | -68.1 | -177 | -178.4 | -179.1 | 0 | 109.9 | N78 | K76-N78 PolarHBondContact O-N 2.81Š| ||
| 77 | P | 30.7 | Very low | 29.5 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 60% | 0.597 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -1.3 | -167.9 | -20.4 | 33.1 | 0 | 0 | 0 | 117.1 | D30 | D30-P77 HydrophobicContact CB-CB 4.48Å; D30-P77 WeakPolarHBondContact OD2-CB 3.4Å; D30-P77 WeakPolarHBondContact OD2-CG 3.31Å |
| 78 | N | 31 | Very low | 29.7 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 0.5 | -162.7 | -63.3 | -8.4 | 0 | 0 | 0 | 116.3 | K76 | K76-N78 PolarHBondContact O-N 2.81Š|
| 79 | D | 31.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | trans | -113.7 | 81.7 | -177.9 | -75.2 | -34.4 | 0 | 0 | 0 | 111.7 | R75 | R75-D79 VanDerWaalsContact CZ-O 3.24Å; R75-D79 PolarHBondContact NE-O 3.05Å; R75-D79 PolarHBondContact NH2-O 3.41Å | ||
| 80 | L | 26.7 | Very low | 29.4 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 89.9 | 164.6 | -82.2 | 164.3 | 0 | 0 | 0 | 109.5 | ||||
| 81 | V | 24.2 | Very low | 29.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -130.9 | 136.8 | 152.1 | -174.2 | 0 | 0 | 0 | 0 | 106.4 | R75 | R75-V81 PolarHBondContact NH2-O 2.67Š| ||
| 82 | C | 29.5 | Very low | 29 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 100% | 1.182 | 79% | 0.785 | S | S | * | * | trans | -48 | 0 | -174.8 | -59.9 | 0 | 0 | 0 | 0 | 114.3 |
Retrieved 82 of 82 residues in 72 ms
(Link to these results)