| 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 | 61.5 | Low | 61.4 | Low | 207 Ų | 207 | 134.4 Ų | 134.4 | 100% | 1.02 | 64% | 0.643 | S | S | * | * | 0 | -43.3 | 0 | -63.3 | -139.5 | -140.4 | 0 | 0 | 113.3 | R3 F4 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.19Å; M1-F4 PolarHBondContact O-N 2.7Å | |||
| 2 | L | 57.7 | Low | 61.3 | Low | 140 Ų | 140 | 128.6 Ų | 128.6 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.9 | -38.3 | -179.2 | -135.8 | 90.8 | 0 | 0 | 0 | 115.1 | F4 I5 L6 | L2-F4 PolarHBondContact O-N 3.41Å; L2-I5 PolarHBondContact O-N 3.22Å; L2-L6 PolarHBondContact O-N 3.37Å |
| 3 | R | 58.8 | Low | 61.2 | Low | 210 Ų | 210 | 131.2 Ų | 131.2 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.5 | -34.5 | 179.8 | -74.5 | -175.7 | 171.4 | -178.9 | -3 | 113.8 | M1 I7 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.19Å; R3-I7 WeakPolarHBondContact O-CG1 3.39Å; R3-I7 PolarHBondContact O-N 3.21Å |
| 4 | F | 61.8 | Low | 61 | Low | 157 Ų | 157 | 130.9 Ų | 130.9 | 69% | 0.689 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.2 | -36 | 177.7 | -92.5 | -88.1 | 0 | 0 | 0 | 111.9 | M1 L2 I7 L8 | M1-F4 PolarHBondContact O-N 2.7Å; L2-F4 PolarHBondContact O-N 3.41Å; F4-I7 PolarHBondContact O-N 2.82Å; F4-L8 WeakPolarHBondContact O-CG 3.39Å; F4-L8 PolarHBondContact O-N 2.93Å |
| 5 | I | 66.6 | Low | 60.9 | Low | 98 Ų | 98 | 127.2 Ų | 127.2 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.2 | -40.4 | 176.3 | -60.5 | 172.9 | 0 | 0 | 0 | 110.6 | L2 L8 L9 | L2-I5 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 3.47Å; I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 WeakPolarHBondContact O-CB 2.97Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 3.47Å |
| 6 | L | 59.4 | Low | 60.7 | Low | 95 Ų | 95 | 126.6 Ų | 126.6 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.2 | -42.8 | 174.8 | -98.7 | 149.2 | 0 | 0 | 0 | 112.7 | L2 L9 I10 | L2-L6 PolarHBondContact O-N 3.37Å; L6-L9 PolarHBondContact O-N 2.8Å; L6-I10 WeakPolarHBondContact O-CD1 3.48Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.31Å |
| 7 | I | 65.3 | Low | 60.7 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -41.3 | 177.5 | -65.4 | 167 | 0 | 0 | 0 | 110.9 | R3 F4 I10 F11 | R3-I7 WeakPolarHBondContact O-CG1 3.39Å; R3-I7 PolarHBondContact O-N 3.21Å; F4-I7 PolarHBondContact O-N 2.82Å; I7-I10 PolarHBondContact O-N 3.18Å; I7-F11 HydrophobicContact CG2-CD2 4.36Å; I7-F11 PolarHBondContact O-N 3.23Å |
| 8 | L | 60.9 | Low | 60.6 | Low | 118 Ų | 118 | 120.3 Ų | 120.3 | 62% | 0.618 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.7 | -39.4 | 176.1 | -77.3 | 165.9 | 0 | 0 | 0 | 112.5 | F4 I5 F11 S12 | F4-L8 WeakPolarHBondContact O-CG 3.39Å; F4-L8 PolarHBondContact O-N 2.93Å; I5-L8 PolarHBondContact O-N 3.47Å; L8-F11 PolarHBondContact O-N 3.1Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.23Å; L8-S12 PolarHBondContact O-OG 2.82Å |
| 9 | L | 60.6 | Low | 60.7 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -37.5 | 175.8 | -78.5 | 167.2 | 0 | 0 | 0 | 112.5 | I5 L6 S12 Y13 | I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 WeakPolarHBondContact O-CB 2.97Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 2.8Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-S12 VanDerWaalsContact O-OG 3.11Å; L9-Y13 VanDerWaalsContact O-CB 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.16Å; L9-Y13 PolarHBondContact O-N 3.43Å |
| 10 | I | 62.4 | Low | 61.1 | Low | 107 Ų | 107 | 114.2 Ų | 114.2 | 55% | 0.549 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.3 | -45.4 | 175.7 | -67 | 163.2 | 0 | 0 | 0 | 109.9 | L6 I7 Y13 H14 | L6-I10 WeakPolarHBondContact O-CD1 3.48Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.31Å; I7-I10 PolarHBondContact O-N 3.18Å; I10-Y13 PolarHBondContact O-N 3.42Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 2.95Å |
| 11 | F | 60.5 | Low | 61.2 | Low | 146 Ų | 146 | 109.7 Ų | 109.7 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.2 | -43.2 | 177.4 | -107.9 | -86.6 | 0 | 0 | 0 | 112.4 | I7 L8 H14 S15 | I7-F11 HydrophobicContact CG2-CD2 4.36Å; I7-F11 PolarHBondContact O-N 3.23Å; L8-F11 PolarHBondContact O-N 3.1Å; F11-H14 PolarHBondContact O-N 3.34Å; F11-S15 WeakPolarHBondContact O-CB 3.29Å; F11-S15 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-OG 3.09Å |
| 12 | S | 60.6 | Low | 61.6 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 178.5 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | L8 L9 L16 | L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.23Å; L8-S12 PolarHBondContact O-OG 2.82Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-S12 VanDerWaalsContact O-OG 3.11Å; S12-L16 VanDerWaalsContact O-CB 3.25Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 3.4Å |
| 13 | Y | 59.7 | Low | 62.4 | Low | 163 Ų | 163 | 102.6 Ų | 102.6 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 173.5 | -166.5 | -96.3 | 0 | 0 | 0 | 111.1 | L9 I10 L16 T17 | L9-Y13 VanDerWaalsContact O-CB 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.16Å; L9-Y13 PolarHBondContact O-N 3.43Å; I10-Y13 PolarHBondContact O-N 3.42Å; Y13-L16 PolarHBondContact O-N 2.9Å; Y13-T17 HydrophobicContact CD1-CG2 3.95Å; Y13-T17 HydrophobicContact CE1-CG2 3.63Å; Y13-T17 WeakPolarHBondContact O-CG2 3.49Å; Y13-T17 PolarHBondContact O-N 3.38Å; Y13-T17 PolarHBondContact O-OG1 3.08Å |
| 14 | H | 58.6 | Low | 63.1 | Low | 127 Ų | 127 | 98.7 Ų | 98.7 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 179.7 | -139.6 | 49.4 | 0 | 0 | 0 | 111.6 | I10 F11 L16 T17 V18 | I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 2.95Å; F11-H14 PolarHBondContact O-N 3.34Å; H14-L16 VanDerWaalsContact C-N 3.33Å; H14-L16 PolarHBondContact O-N 3.18Å; H14-T17 WeakPolarHBondContact CA-OG1 3.37Å; H14-T17 PolarHBondContact O-N 3.4Å; H14-T17 PolarHBondContact O-OG1 3.35Å; H14-V18 WeakPolarHBondContact O-CB 3.41Å; H14-V18 WeakPolarHBondContact O-CG2 3.37Å; H14-V18 PolarHBondContact O-N 2.95Å |
| 15 | S | 59.1 | Low | 63.9 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | F11 A19 | F11-S15 WeakPolarHBondContact O-CB 3.29Å; F11-S15 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-OG 3.09Å; S15-A19 WeakPolarHBondContact O-CB 3.04Å; S15-A19 PolarHBondContact O-N 3.4Å |
| 16 | L | 58.3 | Low | 64.4 | Low | 117 Ų | 117 | 89 Ų | 89 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.7 | -40.8 | 178.1 | -162.2 | 80.6 | 0 | 0 | 0 | 111.8 | S12 Y13 H14 V18 A19 T20 | S12-L16 VanDerWaalsContact O-CB 3.25Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 3.4Å; Y13-L16 PolarHBondContact O-N 2.9Å; H14-L16 VanDerWaalsContact C-N 3.33Å; H14-L16 PolarHBondContact O-N 3.18Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-A19 PolarHBondContact O-N 3.3Å; L16-T20 WeakPolarHBondContact O-CB 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.41Å; L16-T20 PolarHBondContact O-N 3.03Å; L16-T20 PolarHBondContact O-OG1 2.98Å |
| 17 | T | 60 | Low | 65.3 | Low | 52 Ų | 52 | 90.1 Ų | 90.1 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 175.7 | 47 | 0 | 0 | 0 | 0 | 112.1 | Y13 H14 T20 G21 | Y13-T17 HydrophobicContact CD1-CG2 3.95Å; Y13-T17 HydrophobicContact CE1-CG2 3.63Å; Y13-T17 WeakPolarHBondContact O-CG2 3.49Å; Y13-T17 PolarHBondContact O-N 3.38Å; Y13-T17 PolarHBondContact O-OG1 3.08Å; H14-T17 WeakPolarHBondContact CA-OG1 3.37Å; H14-T17 PolarHBondContact O-N 3.4Å; H14-T17 PolarHBondContact O-OG1 3.35Å; T17-T20 WeakPolarHBondContact CA-OG1 3.16Å; T17-T20 PolarHBondContact O-OG1 3.32Å; T17-T20 VanDerWaalsContact O-OG1 3.14Å; T17-G21 PolarHBondContact O-N 3.25Å |
| 18 | V | 59.6 | Low | 66.1 | Low | 89 Ų | 89 | 85.7 Ų | 85.7 | 54% | 0.539 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 177 | 171 | 0 | 0 | 0 | 0 | 110.6 | H14 L16 T20 G21 F22 | H14-V18 WeakPolarHBondContact O-CB 3.41Å; H14-V18 WeakPolarHBondContact O-CG2 3.37Å; H14-V18 PolarHBondContact O-N 2.95Å; L16-V18 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 2.89Å; V18-G21 PolarHBondContact O-N 2.9Å; V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 2.84Å |
| 19 | A | 62.7 | Low | 66.7 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 41% | 0.405 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S15 L16 F22 D23 | S15-A19 WeakPolarHBondContact O-CB 3.04Å; S15-A19 PolarHBondContact O-N 3.4Å; L16-A19 PolarHBondContact O-N 3.3Å; A19-F22 PolarHBondContact O-N 3.38Å; A19-D23 PolarHBondContact O-N 3.24Å |
| 20 | T | 67.3 | Low | 67.5 | Low | 69 Ų | 69 | 83.8 Ų | 83.8 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.9 | -32.4 | 179 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | L16 T17 V18 K24 | L16-T20 WeakPolarHBondContact O-CB 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.41Å; L16-T20 PolarHBondContact O-N 3.03Å; L16-T20 PolarHBondContact O-OG1 2.98Å; T17-T20 WeakPolarHBondContact CA-OG1 3.16Å; T17-T20 PolarHBondContact O-OG1 3.32Å; T17-T20 VanDerWaalsContact O-OG1 3.14Å; V18-T20 PolarHBondContact O-N 2.89Å; T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.32Å; T20-K24 PolarHBondContact O-N 2.95Å |
| 21 | G | 64.8 | Low | 68.2 | Low | 20 Ų | 20 | 80.9 Ų | 80.9 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68 | -43.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T17 V18 K24 C25 | T17-G21 PolarHBondContact O-N 3.25Å; V18-G21 PolarHBondContact O-N 2.9Å; G21-K24 PolarHBondContact O-N 3.37Å; G21-C25 PolarHBondContact O-N 3.19Å; G21-C25 PolarHBondContact O-SG 3.24Å; G21-C25 VanDerWaalsContact O-SG 3.36Å |
| 22 | F | 69.3 | Low | 68.8 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 42% | 0.417 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.2 | -175.9 | -95.1 | 0 | 0 | 0 | 111.9 | V18 A19 K24 C25 V26 I80 | V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 2.84Å; A19-F22 PolarHBondContact O-N 3.38Å; F22-K24 VanDerWaalsContact C-N 3.3Å; F22-K24 PolarHBondContact O-N 3.1Å; F22-C25 WeakPolarHBondContact O-CB 3.45Å; F22-C25 PolarHBondContact O-N 3.09Å; F22-C25 VanDerWaalsContact O-N 3.09Å; F22-V26 HydrophobicContact CD1-CG2 3.99Å; F22-V26 HydrophobicContact CE1-CG2 3.59Å; F22-V26 HydrophobicContact CE2-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 3.86Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.3Å; F22-I80 HydrophobicContact CD2-CD1 3.97Å; F22-I80 HydrophobicContact CE2-CD1 3.77Å |
| 23 | D | 75 | Confident | 69.2 | Low | 102 Ų | 102 | 73.2 Ų | 73.2 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 176.9 | -80.6 | -14 | 0 | 0 | 0 | 111.8 | A19 V26 Q27 | A19-D23 PolarHBondContact O-N 3.24Å; D23-V26 PolarHBondContact O-N 2.93Å; D23-Q27 VanDerWaalsContact O-CB 3.32Å; D23-Q27 WeakPolarHBondContact O-CB 3.36Å; D23-Q27 PolarHBondContact O-N 3.48Å |
| 24 | K | 72.7 | Confident | 69.9 | Low | 129 Ų | 129 | 68.8 Ų | 68.8 | 56% | 0.561 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 174.2 | -73.6 | 174.9 | -176.3 | 178.8 | 0 | 112.2 | T20 G21 F22 Q27 M28 | T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.32Å; T20-K24 PolarHBondContact O-N 2.95Å; G21-K24 PolarHBondContact O-N 3.37Å; F22-K24 VanDerWaalsContact C-N 3.3Å; F22-K24 PolarHBondContact O-N 3.1Å; K24-Q27 PolarHBondContact O-N 3.3Å; K24-M28 PolarHBondContact O-N 3.41Å |
| 25 | C | 79.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.5 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | G21 F22 M28 L29 C75 D77 I80 | G21-C25 PolarHBondContact O-N 3.19Å; G21-C25 PolarHBondContact O-SG 3.24Å; G21-C25 VanDerWaalsContact O-SG 3.36Å; F22-C25 WeakPolarHBondContact O-CB 3.45Å; F22-C25 PolarHBondContact O-N 3.09Å; F22-C25 VanDerWaalsContact O-N 3.09Å; C25-M28 WeakPolarHBondContact O-CB 3.48Å; C25-M28 PolarHBondContact O-N 2.9Å; C25-L29 PolarHBondContact O-N 3.41Å; C25-C75 HydrophobicContact CB-CB 3.95Å; C25-C75 WeakPolarHBondContact CB-SG 3.44Å; C25-C75 WeakPolarHBondContact SG-CA 3.42Å; C25-C75 WeakPolarHBondContact SG-CB 3.38Å; C25-C75 CovalentContact SG-SG 2.02Å; C25-C75 PolarHBondContact SG-SG 3.41Å; C25-D77 HydrophobicContact CB-CB 4.48Å; C25-D77 VanDerWaalsContact SG-CB 3.57Å; C25-I80 HydrophobicContact CB-CB 4.39Å; C25-I80 HydrophobicContact CB-CD1 3.53Å; C25-I80 HydrophobicContact CB-CG2 4.26Å |
| 26 | V | 77.5 | Confident | 70.8 | Confident | 50 Ų | 50 | 61 Ų | 61 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | F22 D23 M28 L29 I30 I80 | F22-V26 HydrophobicContact CD1-CG2 3.99Å; F22-V26 HydrophobicContact CE1-CG2 3.59Å; F22-V26 HydrophobicContact CE2-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 3.86Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.3Å; D23-V26 PolarHBondContact O-N 2.93Å; V26-M28 VanDerWaalsContact C-N 3.27Å; V26-M28 PolarHBondContact O-N 3.15Å; V26-L29 WeakPolarHBondContact O-CB 3.24Å; V26-L29 PolarHBondContact O-N 2.85Å; V26-I30 HydrophobicContact CG1-CD1 4.39Å; V26-I30 PolarHBondContact O-N 2.9Å; V26-I80 HydrophobicContact CG2-CD1 4.35Å |
| 27 | Q | 76.9 | Confident | 71.1 | Confident | 120 Ų | 120 | 59.1 Ų | 59.1 | 56% | 0.561 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.6 | -33.5 | 177.6 | -163.8 | 151.2 | 3 | 0 | 0 | 112.3 | D23 K24 L29 I30 D31 | D23-Q27 VanDerWaalsContact O-CB 3.32Å; D23-Q27 WeakPolarHBondContact O-CB 3.36Å; D23-Q27 PolarHBondContact O-N 3.48Å; K24-Q27 PolarHBondContact O-N 3.3Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.44Å; Q27-I30 PolarHBondContact O-N 2.75Å; Q27-D31 PolarHBondContact O-N 2.88Å |
| 28 | M | 81.5 | Confident | 71.2 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 169 | 171.8 | -114.9 | -68.2 | 0 | 0 | 112.7 | K24 C25 V26 I30 D31 L32 K71 L72 C75 | K24-M28 PolarHBondContact O-N 3.41Å; C25-M28 WeakPolarHBondContact O-CB 3.48Å; C25-M28 PolarHBondContact O-N 2.9Å; V26-M28 VanDerWaalsContact C-N 3.27Å; V26-M28 PolarHBondContact O-N 3.15Å; M28-I30 VanDerWaalsContact C-N 3.3Å; M28-I30 PolarHBondContact O-N 3.01Å; M28-D31 PolarHBondContact O-N 3.47Å; M28-L32 HydrophobicContact CG-CD1 4.21Å; M28-L32 PolarHBondContact O-N 3.5Å; M28-L32 HydrophobicContact SD-CD1 3.7Å; M28-K71 HydrophobicContact CB-CB 4.37Å; M28-K71 HydrophobicContact CG-CB 3.38Å; M28-K71 HydrophobicContact CG-CG 4.43Å; M28-L72 HydrophobicContact CE-CD2 3.81Å; M28-L72 HydrophobicContact CE-CG 4.44Å; M28-L72 HydrophobicContact SD-CD2 4.08Å; M28-C75 HydrophobicContact CE-CB 3.04Å; M28-C75 VanDerWaalsContact CE-SG 3.54Å |
| 29 | L | 75.4 | Confident | 71.1 | Confident | 73 Ų | 73 | 66 Ų | 66 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 176.8 | -64.5 | 175.2 | 0 | 0 | 0 | 112.4 | C25 V26 Q27 L32 P33 I80 V84 | C25-L29 PolarHBondContact O-N 3.41Å; V26-L29 WeakPolarHBondContact O-CB 3.24Å; V26-L29 PolarHBondContact O-N 2.85Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.44Å; L29-L32 HydrophobicContact CD2-CD1 4.12Å; L29-P33 WeakPolarHBondContact O-CD 3.43Å; L29-I80 HydrophobicContact CD1-CG2 3.94Å; L29-I80 HydrophobicContact CD2-CG2 4.14Å; L29-I80 HydrophobicContact CG-CG2 4.08Å; L29-V84 HydrophobicContact CD2-CG2 3.53Å |
| 30 | I | 76.6 | Confident | 70.7 | Confident | 109 Ų | 109 | 66.4 Ų | 66.4 | 56% | 0.559 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.7 | -35.9 | 176.7 | -61.8 | 170 | 0 | 0 | 0 | 110.9 | V26 Q27 M28 P33 | V26-I30 HydrophobicContact CG1-CD1 4.39Å; V26-I30 PolarHBondContact O-N 2.9Å; Q27-I30 PolarHBondContact O-N 2.75Å; M28-I30 VanDerWaalsContact C-N 3.3Å; M28-I30 PolarHBondContact O-N 3.01Å; I30-P33 WeakPolarHBondContact O-CD 3.29Å |
| 31 | D | 76.1 | Confident | 70.1 | Confident | 45 Ų | 45 | 73.2 Ų | 73.2 | 24% | 0.241 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -79.5 | -21.6 | 179.7 | -75.8 | -13.2 | 0 | 0 | 0 | 113.8 | Q27 M28 N34 C35 K71 | Q27-D31 PolarHBondContact O-N 2.88Å; M28-D31 PolarHBondContact O-N 3.47Å; D31-N34 WeakPolarHBondContact O-CA 3.41Å; D31-N34 VanDerWaalsContact O-CB 3.26Å; D31-N34 WeakPolarHBondContact O-CB 3.17Å; D31-N34 PolarHBondContact O-N 2.03Å; D31-C35 PolarHBondContact O-N 3.42Å; D31-C35 VanDerWaalsContact O-N 3.13Å; D31-K71 HydrophobicContact CB-CD 4.4Å; D31-K71 IonicContact OD2-NZ 3.24Å; D31-K71 PolarHBondContact OD2-NZ 3.35Å |
| 32 | L | 75 | Confident | 69.5 | Low | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.3 | -46.8 | -179.8 | -107.6 | 147.7 | 0 | 0 | 0 | 113 | M28 L29 N34 C35 Y64 V68 V84 | M28-L32 HydrophobicContact CG-CD1 4.21Å; M28-L32 PolarHBondContact O-N 3.5Å; M28-L32 HydrophobicContact SD-CD1 3.7Å; L29-L32 HydrophobicContact CD2-CD1 4.12Å; L32-N34 VanDerWaalsContact C-N 3.27Å; L32-N34 PolarHBondContact O-N 2.84Å; L32-C35 VanDerWaalsContact O-CB 3.23Å; L32-C35 WeakPolarHBondContact O-CB 3.04Å; L32-C35 PolarHBondContact O-N 3.41Å; L32-Y64 HydrophobicContact CD2-CE2 4.45Å; L32-V68 HydrophobicContact CD2-CB 4.1Å; L32-V68 HydrophobicContact CD2-CG1 4.03Å; L32-V68 HydrophobicContact CD2-CG2 3.34Å; L32-V84 HydrophobicContact CD1-CG1 3.98Å |
| 33 | P | 68.9 | Low | 68.6 | Low | 35 Ų | 35 | 82.2 Ų | 82.2 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.6 | -36.4 | 169 | -27.9 | 35.2 | 0 | 0 | 0 | 113.8 | L29 I30 C35 I36 M37 I47 | L29-P33 WeakPolarHBondContact O-CD 3.43Å; I30-P33 WeakPolarHBondContact O-CD 3.29Å; P33-C35 VanDerWaalsContact C-N 3.25Å; P33-C35 PolarHBondContact O-N 3.22Å; P33-I36 PolarHBondContact O-N 3.4Å; P33-I36 VanDerWaalsContact O-N 3.12Å; P33-M37 HydrophobicContact CB-CE 4.47Å; P33-M37 WeakPolarHBondContact O-CG 3.33Å; P33-M37 PolarHBondContact O-N 2.99Å; P33-I47 HydrophobicContact CB-CD1 3.75Å; P33-I47 HydrophobicContact CB-CG1 4.44Å; P33-I47 HydrophobicContact CG-CD1 4.13Å |
| 34 | N | 72.5 | Confident | 67.6 | Low | 71 Ų | 71 | 84 Ų | 84 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.7 | -29.1 | 179.9 | -63.1 | -31.2 | 0 | 0 | 0 | 112.1 | D31 L32 I36 M37 E38 | D31-N34 WeakPolarHBondContact O-CA 3.41Å; D31-N34 VanDerWaalsContact O-CB 3.26Å; D31-N34 WeakPolarHBondContact O-CB 3.17Å; D31-N34 PolarHBondContact O-N 2.03Å; L32-N34 VanDerWaalsContact C-N 3.27Å; L32-N34 PolarHBondContact O-N 2.84Å; N34-I36 PolarHBondContact O-N 2.97Å; N34-I36 VanDerWaalsContact O-N 3.13Å; N34-M37 PolarHBondContact O-N 2.9Å; N34-M37 WeakPolarHBondContact OD1-CE 3.31Å; N34-E38 PolarHBondContact O-N 3.46Å |
| 35 | C | 73.7 | Confident | 66.7 | Low | 29 Ų | 29 | 83.6 Ų | 83.6 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -54.4 | -31 | 173 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | D31 L32 P33 C67 | D31-C35 PolarHBondContact O-N 3.42Å; D31-C35 VanDerWaalsContact O-N 3.13Å; L32-C35 VanDerWaalsContact O-CB 3.23Å; L32-C35 WeakPolarHBondContact O-CB 3.04Å; L32-C35 PolarHBondContact O-N 3.41Å; P33-C35 VanDerWaalsContact C-N 3.25Å; P33-C35 PolarHBondContact O-N 3.22Å; C35-C67 HydrophobicContact CB-CB 3.59Å; C35-C67 WeakPolarHBondContact CB-SG 3.39Å; C35-C67 WeakPolarHBondContact SG-CB 2.98Å; C35-C67 CovalentContact SG-SG 2.03Å; C35-C67 PolarHBondContact SG-SG 2.87Å |
| 36 | I | 64.5 | Low | 66.2 | Low | 10 Ų | 10 | 88.3 Ų | 88.3 | 5% | 0.051 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -97.9 | -34.5 | -177.8 | -20.4 | -177.8 | 0 | 0 | 0 | 110.3 | P33 N34 E38 K39 F40 I47 L51 Y64 | P33-I36 PolarHBondContact O-N 3.4Å; P33-I36 VanDerWaalsContact O-N 3.12Å; N34-I36 PolarHBondContact O-N 2.97Å; N34-I36 VanDerWaalsContact O-N 3.13Å; I36-E38 PolarHBondContact O-N 3.35Å; I36-K39 PolarHBondContact O-N 3.35Å; I36-F40 HydrophobicContact CG2-CD2 4.24Å; I36-F40 HydrophobicContact CG2-CE2 4.4Å; I36-F40 WeakPolarHBondContact O-CD2 3.22Å; I36-F40 PolarHBondContact O-N 3.28Å; I36-I47 HydrophobicContact CD1-CG2 4.35Å; I36-L51 HydrophobicContact CD1-CD1 4.12Å; I36-L51 HydrophobicContact CD1-CD2 3.56Å; I36-L51 HydrophobicContact CD1-CG 3.56Å; I36-Y64 HydrophobicContact CD1-CD2 3.89Å; I36-Y64 HydrophobicContact CD1-CE2 3.47Å; I36-Y64 VanDerWaalsContact CD1-CE2 3.47Å; I36-Y64 HydrophobicContact CG1-CD2 3.74Å; I36-Y64 HydrophobicContact CG1-CE2 3.67Å |
| 37 | M | 64.3 | Low | 65.7 | Low | 76 Ų | 76 | 89.4 Ų | 89.4 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.4 | -30.4 | -178.3 | -72.8 | -156.8 | -73.7 | 0 | 0 | 113.9 | P33 N34 K39 F40 R41 | P33-M37 HydrophobicContact CB-CE 4.47Å; P33-M37 WeakPolarHBondContact O-CG 3.33Å; P33-M37 PolarHBondContact O-N 2.99Å; N34-M37 PolarHBondContact O-N 2.9Å; N34-M37 WeakPolarHBondContact OD1-CE 3.31Å; M37-K39 VanDerWaalsContact C-N 3.26Å; M37-K39 PolarHBondContact O-N 3.45Å; M37-F40 CarbonylContact O-C 3.3Å; M37-F40 VanDerWaalsContact O-C 3.3Å; M37-F40 PolarHBondContact O-N 2.88Å; M37-F40 VanDerWaalsContact O-N 3.16Å; M37-R41 PolarHBondContact O-N 3.06Å; M37-R41 VanDerWaalsContact O-N 3.15Å |
| 38 | E | 61.7 | Low | 65.2 | Low | 182 Ų | 182 | 90.5 Ų | 90.5 | 85% | 0.85 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.8 | 178.5 | -88.7 | -166.9 | 156.2 | 0 | 0 | 113.1 | N34 I36 | N34-E38 PolarHBondContact O-N 3.46Å; I36-E38 PolarHBondContact O-N 3.35Å |
| 39 | K | 57.1 | Low | 64.6 | Low | 104 Ų | 104 | 94.1 Ų | 94.1 | 45% | 0.452 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -25.5 | 176.8 | -152.9 | -175.4 | -174.6 | -171.9 | 0 | 112.6 | I36 M37 D57 | I36-K39 PolarHBondContact O-N 3.35Å; M37-K39 VanDerWaalsContact C-N 3.26Å; M37-K39 PolarHBondContact O-N 3.45Å; K39-D57 IonicContact NZ-OD2 2.75Å |
| 40 | F | 54.5 | Low | 64.3 | Low | 57 Ų | 57 | 92.2 Ų | 92.2 | 25% | 0.25 | 45% | 0.452 | C | S | . | . | trans | -125 | 52 | -172.8 | -57.9 | -74.1 | 0 | 0 | 0 | 112.1 | I36 M37 D42 K50 | I36-F40 HydrophobicContact CG2-CD2 4.24Å; I36-F40 HydrophobicContact CG2-CE2 4.4Å; I36-F40 WeakPolarHBondContact O-CD2 3.22Å; I36-F40 PolarHBondContact O-N 3.28Å; M37-F40 CarbonylContact O-C 3.3Å; M37-F40 VanDerWaalsContact O-C 3.3Å; M37-F40 PolarHBondContact O-N 2.88Å; M37-F40 VanDerWaalsContact O-N 3.16Å; F40-D42 PolarHBondContact O-N 3.11Å; F40-K50 HydrophobicContact CB-CD 4.22Å; F40-K50 HydrophobicContact CG-CD 4.35Å | ||
| 41 | R | 55.8 | Low | 64.2 | Low | 212 Ų | 212 | 88.6 Ų | 88.6 | 80% | 0.8 | 43% | 0.433 | S | S | * | . | trans | -54.2 | 1.7 | -177.3 | -169.7 | 175.7 | 164.6 | 167.9 | -2 | 115.9 | M37 Q43 | M37-R41 PolarHBondContact O-N 3.06Å; M37-R41 VanDerWaalsContact O-N 3.15Å; R41-Q43 VanDerWaalsContact C-N 3.33Å; R41-Q43 WeakPolarHBondContact O-CG 3.12Å; R41-Q43 PolarHBondContact O-N 3.23Å | ||
| 42 | D | 51.8 | Low | 64.1 | Low | 137 Ų | 137 | 92.3 Ų | 92.3 | 73% | 0.733 | 45% | 0.451 | S | S | * | . | trans | -76.8 | 86.8 | 166.9 | -73.3 | -23.8 | 0 | 0 | 0 | 110 | F40 T44 | F40-D42 PolarHBondContact O-N 3.11Å; D42-T44 PolarHBondContact O-N 2.86Å | ||
| 43 | Q | 50 | Low | 64.1 | Low | 168 Ų | 168 | 95.4 Ų | 95.4 | 79% | 0.785 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 39.6 | -172 | -67 | -180 | -48.7 | 0 | 0 | 115.8 | R41 | R41-Q43 VanDerWaalsContact C-N 3.33Å; R41-Q43 WeakPolarHBondContact O-CG 3.12Å; R41-Q43 PolarHBondContact O-N 3.23Å |
| 44 | T | 55.1 | Low | 64.6 | Low | 138 Ų | 138 | 93.8 Ų | 93.8 | 85% | 0.847 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | -1.2 | -178.1 | 15.2 | 0 | 0 | 0 | 0 | 116 | D42 | D42-T44 PolarHBondContact O-N 2.86Š|
| 45 | K | 52.6 | Low | 64.7 | Low | 122 Ų | 122 | 93.5 Ų | 93.5 | 53% | 0.53 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -107.6 | 142.1 | 174.9 | -82.8 | -172.4 | 173.3 | -171.4 | 0 | 111.6 | K50 E53 | K45-K50 HydrophobicContact CB-CD 4.48Å; K45-K50 HydrophobicContact CB-CG 4.24Å; K45-E53 IonicContact NZ-OE1 3.89Å; K45-E53 PolarHBondContact NZ-OE1 3.1Å |
| 46 | D | 68.1 | Low | 65.1 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | trans | -53.9 | 140 | -179.5 | -157.2 | -54.2 | 0 | 0 | 0 | 111 | Q48 D49 K50 | D46-Q48 PolarHBondContact O-N 2.87Å; D46-Q48 PolarHBondContact OD1-N 3.39Å; D46-Q48 VanDerWaalsContact OD1-N 3.1Å; D46-D49 PolarHBondContact O-N 3.34Å; D46-D49 VanDerWaalsContact O-N 3.09Å; D46-K50 PolarHBondContact O-N 2.83Å | ||
| 47 | I | 67.6 | Low | 66 | Low | 72 Ų | 72 | 103.3 Ų | 103.3 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.7 | -33.1 | 178 | -70 | 158.6 | 0 | 0 | 0 | 110.1 | P33 I36 K50 L51 | P33-I47 HydrophobicContact CB-CD1 3.75Å; P33-I47 HydrophobicContact CB-CG1 4.44Å; P33-I47 HydrophobicContact CG-CD1 4.13Å; I36-I47 HydrophobicContact CD1-CG2 4.35Å; I47-K50 PolarHBondContact O-N 3.39Å; I47-L51 HydrophobicContact CG2-CD1 3.83Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 3.3Å |
| 48 | Q | 66.2 | Low | 66.8 | Low | 143 Ų | 143 | 103 Ų | 103 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -47 | 175.3 | -82.7 | -170.7 | -22.9 | 0 | 0 | 113 | D46 K50 L51 M52 | D46-Q48 PolarHBondContact O-N 2.87Å; D46-Q48 PolarHBondContact OD1-N 3.39Å; D46-Q48 VanDerWaalsContact OD1-N 3.1Å; Q48-K50 PolarHBondContact O-N 3.25Å; Q48-L51 WeakPolarHBondContact O-CB 3.37Å; Q48-L51 PolarHBondContact O-N 3.12Å; Q48-M52 WeakPolarHBondContact O-CG 3.23Å; Q48-M52 PolarHBondContact O-N 3.13Å |
| 49 | D | 70.1 | Confident | 67.9 | Low | 79 Ų | 79 | 100.4 Ų | 100.4 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 177.9 | -74.6 | -14.4 | 0 | 0 | 0 | 110.9 | D46 M52 E53 | D46-D49 PolarHBondContact O-N 3.34Å; D46-D49 VanDerWaalsContact O-N 3.09Å; D49-M52 WeakPolarHBondContact O-CB 3.39Å; D49-M52 PolarHBondContact O-N 3.26Å; D49-E53 PolarHBondContact O-N 2.75Å |
| 50 | K | 68.9 | Low | 69.1 | Low | 33 Ų | 33 | 95.8 Ų | 95.8 | 14% | 0.143 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -70.5 | -36.7 | 176.6 | -69.2 | -66.1 | 174.7 | -170.3 | 0 | 113.2 | F40 K45 D46 I47 Q48 M52 E53 C54 | F40-K50 HydrophobicContact CB-CD 4.22Å; F40-K50 HydrophobicContact CG-CD 4.35Å; K45-K50 HydrophobicContact CB-CD 4.48Å; K45-K50 HydrophobicContact CB-CG 4.24Å; D46-K50 PolarHBondContact O-N 2.83Å; I47-K50 PolarHBondContact O-N 3.39Å; Q48-K50 PolarHBondContact O-N 3.25Å; K50-M52 VanDerWaalsContact C-N 3.28Å; K50-M52 PolarHBondContact O-N 3.43Å; K50-E53 WeakPolarHBondContact CD-OE2 3.45Å; K50-E53 IonicContact NZ-OE1 2.74Å; K50-E53 IonicContact NZ-OE2 3.81Å; K50-E53 PolarHBondContact NZ-OE2 3.26Å; K50-E53 PolarHBondContact O-N 2.7Å; K50-C54 VanDerWaalsContact O-CB 3.24Å; K50-C54 WeakPolarHBondContact O-CB 3.44Å; K50-C54 PolarHBondContact O-N 3.07Å |
| 51 | L | 72.8 | Confident | 70.4 | Confident | 33 Ų | 33 | 95.6 Ų | 95.6 | 17% | 0.173 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 168.9 | -86.4 | 159.2 | 0 | 0 | 0 | 110.7 | I36 I47 Q48 C54 K55 Y64 F91 | I36-L51 HydrophobicContact CD1-CD1 4.12Å; I36-L51 HydrophobicContact CD1-CD2 3.56Å; I36-L51 HydrophobicContact CD1-CG 3.56Å; I47-L51 HydrophobicContact CG2-CD1 3.83Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 3.3Å; Q48-L51 WeakPolarHBondContact O-CB 3.37Å; Q48-L51 PolarHBondContact O-N 3.12Å; L51-C54 CarbonylContact O-C 3.54Å; L51-C54 PolarHBondContact O-N 3.15Å; L51-K55 WeakPolarHBondContact O-CG 3.01Å; L51-K55 PolarHBondContact O-N 3.16Å; L51-Y64 HydrophobicContact CD2-CE1 3.97Å; L51-Y64 HydrophobicContact CD2-CE2 4.04Å; L51-F91 HydrophobicContact CB-CE2 3.89Å; L51-F91 HydrophobicContact CD2-CD2 3.72Å; L51-F91 HydrophobicContact CD2-CE2 3.24Å; L51-F91 HydrophobicContact CD2-CZ 3.85Å; L51-F91 HydrophobicContact CG-CE2 4.18Å; L51-F91 VanDerWaalsContact O-CE2 3.29Å; L51-F91 WeakPolarHBondContact O-CE2 3.46Å |
| 52 | M | 75.2 | Confident | 71.7 | Confident | 123 Ų | 123 | 90 Ų | 90 | 61% | 0.606 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.6 | -45.1 | 176.2 | -67.7 | -143 | -64.5 | 0 | 0 | 112.8 | Q48 D49 K50 C54 K55 | Q48-M52 WeakPolarHBondContact O-CG 3.23Å; Q48-M52 PolarHBondContact O-N 3.13Å; D49-M52 WeakPolarHBondContact O-CB 3.39Å; D49-M52 PolarHBondContact O-N 3.26Å; K50-M52 VanDerWaalsContact C-N 3.28Å; K50-M52 PolarHBondContact O-N 3.43Å; M52-C54 VanDerWaalsContact C-N 3.29Å; M52-C54 PolarHBondContact O-N 3.43Å; M52-K55 WeakPolarHBondContact O-CB 3.07Å; M52-K55 PolarHBondContact O-N 3.46Å; M52-K55 VanDerWaalsContact O-N 3.09Å |
| 53 | E | 74.9 | Confident | 73.1 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 38% | 0.379 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.9 | -44 | 172.8 | -74.4 | 175.6 | -172.6 | 0 | 0 | 110.6 | K45 D49 K50 K55 E56 | K45-E53 IonicContact NZ-OE1 3.89Å; K45-E53 PolarHBondContact NZ-OE1 3.1Å; D49-E53 PolarHBondContact O-N 2.75Å; K50-E53 WeakPolarHBondContact CD-OE2 3.45Å; K50-E53 IonicContact NZ-OE1 2.74Å; K50-E53 IonicContact NZ-OE2 3.81Å; K50-E53 PolarHBondContact NZ-OE2 3.26Å; K50-E53 PolarHBondContact O-N 2.7Å; E53-K55 VanDerWaalsContact C-N 3.29Å; E53-K55 PolarHBondContact O-N 2.91Å; E53-E56 PolarHBondContact O-N 3.18Å |
| 54 | C | 78.4 | Confident | 74.5 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.3 | -26.2 | 177.2 | -165.6 | 0 | 0 | 0 | 0 | 113 | K50 L51 M52 E56 D57 C60 F91 | K50-C54 VanDerWaalsContact O-CB 3.24Å; K50-C54 WeakPolarHBondContact O-CB 3.44Å; K50-C54 PolarHBondContact O-N 3.07Å; L51-C54 CarbonylContact O-C 3.54Å; L51-C54 PolarHBondContact O-N 3.15Å; M52-C54 VanDerWaalsContact C-N 3.29Å; M52-C54 PolarHBondContact O-N 3.43Å; C54-E56 PolarHBondContact O-N 2.83Å; C54-D57 PolarHBondContact O-N 3.36Å; C54-C60 VanDerWaalsContact CA-SG 3.57Å; C54-C60 HydrophobicContact CB-CB 4.03Å; C54-C60 WeakPolarHBondContact CB-SG 3.48Å; C54-C60 WeakPolarHBondContact SG-CB 3.25Å; C54-C60 PolarHBondContact SG-O 3.36Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 3.3Å; C54-F91 HydrophobicContact CB-CZ 4.39Å |
| 55 | K | 75.9 | Confident | 75.8 | Confident | 64 Ų | 64 | 77 Ų | 77 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -27.6 | 175 | -82.9 | -163.4 | 172.1 | -153 | 0 | 112.2 | L51 M52 E53 K61 T90 F91 | L51-K55 WeakPolarHBondContact O-CG 3.01Å; L51-K55 PolarHBondContact O-N 3.16Å; M52-K55 WeakPolarHBondContact O-CB 3.07Å; M52-K55 PolarHBondContact O-N 3.46Å; M52-K55 VanDerWaalsContact O-N 3.09Å; E53-K55 VanDerWaalsContact C-N 3.29Å; E53-K55 PolarHBondContact O-N 2.91Å; K55-K61 VanDerWaalsContact O-CD 3.29Å; K55-K61 WeakPolarHBondContact O-CD 3.42Å; K55-K61 WeakPolarHBondContact O-CE 3.18Å; K55-K61 PolarHBondContact O-NZ 3.06Å; K55-T90 PolarHBondContact NZ-O 3.38Å; K55-T90 VanDerWaalsContact NZ-O 3.1Å; K55-F91 HydrophobicContact CB-CE2 4.37Å; K55-F91 HydrophobicContact CB-CZ 4.32Å; K55-F91 HydrophobicContact CD-CD2 4.09Å; K55-F91 HydrophobicContact CD-CE2 4.06Å; K55-F91 WeakPolarHBondContact CE-O 3.37Å; K55-F91 HydrophobicContact CG-CD2 3.66Å; K55-F91 HydrophobicContact CG-CE1 4.15Å; K55-F91 HydrophobicContact CG-CE2 3.17Å; K55-F91 HydrophobicContact CG-CG 4.3Å; K55-F91 HydrophobicContact CG-CZ 3.46Å; K55-F91 VanDerWaalsContact CG-CZ 3.46Å; K55-F91 PolarHBondContact NZ-O 3.08Å |
| 56 | E | 80.7 | Confident | 77.3 | Confident | 184 Ų | 184 | 75.5 Ų | 75.5 | 86% | 0.86 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -87.9 | -21.2 | -178.8 | -57.6 | -134.5 | 153.2 | 0 | 0 | 112.5 | E53 C54 | E53-E56 PolarHBondContact O-N 3.18Å; C54-E56 PolarHBondContact O-N 2.83Å |
| 57 | D | 83.9 | Confident | 78 | Confident | 62 Ų | 62 | 72.5 Ų | 72.5 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | trans | -93.4 | 113.4 | 176.3 | 178.4 | -20.2 | 0 | 0 | 0 | 111.1 | K39 C54 E59 C60 K61 | K39-D57 IonicContact NZ-OD2 2.75Å; C54-D57 PolarHBondContact O-N 3.36Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 3.37Å; D57-E59 WeakPolarHBondContact OD1-CA 3.25Å; D57-E59 WeakPolarHBondContact OD1-CB 3.42Å; D57-E59 PolarHBondContact OD1-N 3.46Å; D57-C60 HydrophobicContact CB-CB 3.68Å; D57-C60 PolarHBondContact O-N 2.03Å; D57-C60 PolarHBondContact OD1-N 3.31Å; D57-K61 PolarHBondContact O-N 2.02Å | ||
| 58 | A | 82.4 | Confident | 78.8 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I62 | A58-I62 VanDerWaalsContact O-CG1 3.32Å; A58-I62 WeakPolarHBondContact O-CG1 3.03Å; A58-I62 PolarHBondContact O-N 3.46Å; A58-I62 VanDerWaalsContact O-N 3.08Å |
| 59 | E | 83.4 | Confident | 79.6 | Confident | 127 Ų | 127 | 67.6 Ų | 67.6 | 59% | 0.593 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.9 | -41.1 | 178.2 | -173 | 178.6 | -178.8 | 0 | 0 | 110.3 | D57 I62 Q63 | D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 3.37Å; D57-E59 WeakPolarHBondContact OD1-CA 3.25Å; D57-E59 WeakPolarHBondContact OD1-CB 3.42Å; D57-E59 PolarHBondContact OD1-N 3.46Å; E59-I62 PolarHBondContact O-N 3.38Å; E59-Q63 WeakPolarHBondContact O-CG 3.24Å; E59-Q63 PolarHBondContact O-N 2.96Å |
| 60 | C | 82.6 | Confident | 80.3 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 174.1 | -165.9 | 0 | 0 | 0 | 0 | 111.7 | C54 D57 I62 Q63 Y64 | C54-C60 VanDerWaalsContact CA-SG 3.57Å; C54-C60 HydrophobicContact CB-CB 4.03Å; C54-C60 WeakPolarHBondContact CB-SG 3.48Å; C54-C60 WeakPolarHBondContact SG-CB 3.25Å; C54-C60 PolarHBondContact SG-O 3.36Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 3.3Å; D57-C60 HydrophobicContact CB-CB 3.68Å; D57-C60 PolarHBondContact O-N 2.03Å; D57-C60 PolarHBondContact OD1-N 3.31Å; C60-I62 PolarHBondContact O-N 3.37Å; C60-Q63 PolarHBondContact O-N 3.19Å; C60-Y64 WeakPolarHBondContact O-CB 3.08Å; C60-Y64 PolarHBondContact O-N 3.01Å |
| 61 | K | 81.6 | Confident | 81 | Confident | 53 Ų | 53 | 69 Ų | 69 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.6 | -50.4 | 173.5 | -103 | 169.4 | 165.4 | 168.9 | 0 | 111.9 | K55 D57 Y64 I65 F91 | K55-K61 VanDerWaalsContact O-CD 3.29Å; K55-K61 WeakPolarHBondContact O-CD 3.42Å; K55-K61 WeakPolarHBondContact O-CE 3.18Å; K55-K61 PolarHBondContact O-NZ 3.06Å; D57-K61 PolarHBondContact O-N 2.02Å; K61-Y64 PolarHBondContact O-N 3.36Å; K61-I65 WeakPolarHBondContact O-CD1 3.46Å; K61-I65 WeakPolarHBondContact O-CG1 3.14Å; K61-I65 PolarHBondContact O-N 3.31Å; K61-F91 HydrophobicContact CG-CD1 4.47Å; K61-F91 HydrophobicContact CG-CE1 3.66Å; K61-F91 HydrophobicContact CG-CZ 4.35Å |
| 62 | I | 84 | Confident | 81.5 | Confident | 96 Ų | 96 | 67.8 Ų | 67.8 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | -178.8 | -70.4 | 167 | 0 | 0 | 0 | 111.2 | A58 E59 C60 Y64 I65 I66 | A58-I62 VanDerWaalsContact O-CG1 3.32Å; A58-I62 WeakPolarHBondContact O-CG1 3.03Å; A58-I62 PolarHBondContact O-N 3.46Å; A58-I62 VanDerWaalsContact O-N 3.08Å; E59-I62 PolarHBondContact O-N 3.38Å; C60-I62 PolarHBondContact O-N 3.37Å; I62-Y64 VanDerWaalsContact C-N 3.33Å; I62-Y64 PolarHBondContact O-N 2.93Å; I62-I65 PolarHBondContact O-N 3.13Å; I62-I66 HydrophobicContact CG2-CD1 3.74Å; I62-I66 HydrophobicContact CG2-CG1 4.43Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.38Å; I62-I66 PolarHBondContact O-N 3.25Å |
| 63 | Q | 81.2 | Confident | 81.9 | Confident | 110 Ų | 110 | 65.5 Ų | 65.5 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 178.6 | -70.1 | -66.1 | -22.6 | 0 | 0 | 111.7 | E59 C60 I66 C67 | E59-Q63 WeakPolarHBondContact O-CG 3.24Å; E59-Q63 PolarHBondContact O-N 2.96Å; C60-Q63 PolarHBondContact O-N 3.19Å; Q63-I66 PolarHBondContact O-N 2.97Å; Q63-C67 PolarHBondContact O-N 3.22Å |
| 64 | Y | 79.3 | Confident | 82.1 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 175.4 | -177.9 | -108.6 | 0 | 0 | 0 | 111.5 | L32 I36 L51 C60 K61 I62 I66 C67 V68 L88 F91 | L32-Y64 HydrophobicContact CD2-CE2 4.45Å; I36-Y64 HydrophobicContact CD1-CD2 3.89Å; I36-Y64 HydrophobicContact CD1-CE2 3.47Å; I36-Y64 VanDerWaalsContact CD1-CE2 3.47Å; I36-Y64 HydrophobicContact CG1-CD2 3.74Å; I36-Y64 HydrophobicContact CG1-CE2 3.67Å; L51-Y64 HydrophobicContact CD2-CE1 3.97Å; L51-Y64 HydrophobicContact CD2-CE2 4.04Å; C60-Y64 WeakPolarHBondContact O-CB 3.08Å; C60-Y64 PolarHBondContact O-N 3.01Å; K61-Y64 PolarHBondContact O-N 3.36Å; I62-Y64 VanDerWaalsContact C-N 3.33Å; I62-Y64 PolarHBondContact O-N 2.93Å; Y64-I66 PolarHBondContact O-N 3.44Å; Y64-C67 PolarHBondContact O-N 2.7Å; Y64-V68 HydrophobicContact CD1-CG2 4.03Å; Y64-V68 HydrophobicContact CD2-CG2 4.1Å; Y64-V68 HydrophobicContact CE1-CG2 3.68Å; Y64-V68 HydrophobicContact CE2-CG2 3.74Å; Y64-V68 HydrophobicContact CG-CG2 4.24Å; Y64-V68 WeakPolarHBondContact O-CG2 3.34Å; Y64-V68 PolarHBondContact O-N 2.94Å; Y64-L88 HydrophobicContact CD1-CD1 4Å; Y64-L88 HydrophobicContact CE1-CD1 3.8Å; Y64-F91 AromaticContact CD1-CD1 3.89Å; Y64-F91 HydrophobicContact CD1-CD1 3.89Å; Y64-F91 AromaticContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CZ 4.23Å; Y64-F91 HydrophobicContact CE1-CD1 4.1Å; Y64-F91 HydrophobicContact CE1-CE1 4.25Å; Y64-F91 HydrophobicContact CE1-CG 4.28Å |
| 65 | I | 82.5 | Confident | 82.2 | Confident | 31 Ų | 31 | 64.5 Ų | 64.5 | 16% | 0.159 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 177.3 | -64.9 | 160.4 | 0 | 0 | 0 | 111 | K61 I62 C67 V68 Q69 L88 L92 | K61-I65 WeakPolarHBondContact O-CD1 3.46Å; K61-I65 WeakPolarHBondContact O-CG1 3.14Å; K61-I65 PolarHBondContact O-N 3.31Å; I62-I65 PolarHBondContact O-N 3.13Å; I65-C67 VanDerWaalsContact C-N 3.3Å; I65-C67 PolarHBondContact O-N 3.11Å; I65-V68 PolarHBondContact O-N 2.94Å; I65-Q69 HydrophobicContact CG2-CG 4.15Å; I65-Q69 VanDerWaalsContact O-CB 3.31Å; I65-Q69 WeakPolarHBondContact O-CB 3.4Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.26Å; I65-Q69 PolarHBondContact O-N 3.39Å; I65-L88 HydrophobicContact CG1-CD1 4.23Å; I65-L92 HydrophobicContact CD1-CD1 4Å; I65-L92 HydrophobicContact CD1-CD2 3.27Å; I65-L92 HydrophobicContact CD1-CG 4.25Å; I65-L92 HydrophobicContact CG1-CD1 4.14Å; I65-L92 HydrophobicContact CG1-CD2 3.67Å; I65-L92 HydrophobicContact CG1-CG 4.39Å |
| 66 | I | 84 | Confident | 82.4 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | -178.9 | -68.6 | 168.2 | 0 | 0 | 0 | 110.1 | I62 Q63 Y64 Q69 S70 | I62-I66 HydrophobicContact CG2-CD1 3.74Å; I62-I66 HydrophobicContact CG2-CG1 4.43Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.38Å; I62-I66 PolarHBondContact O-N 3.25Å; Q63-I66 PolarHBondContact O-N 2.97Å; Y64-I66 PolarHBondContact O-N 3.44Å; I66-Q69 PolarHBondContact O-N 3.48Å; I66-S70 WeakPolarHBondContact O-CB 3.02Å; I66-S70 PolarHBondContact O-N 3.21Å |
| 67 | C | 82.8 | Confident | 82.5 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 178.4 | -162.1 | 0 | 0 | 0 | 0 | 111.6 | C35 Q63 Y64 I65 Q69 S70 K71 | C35-C67 HydrophobicContact CB-CB 3.59Å; C35-C67 WeakPolarHBondContact CB-SG 3.39Å; C35-C67 WeakPolarHBondContact SG-CB 2.98Å; C35-C67 CovalentContact SG-SG 2.03Å; C35-C67 PolarHBondContact SG-SG 2.87Å; Q63-C67 PolarHBondContact O-N 3.22Å; Y64-C67 PolarHBondContact O-N 2.7Å; I65-C67 VanDerWaalsContact C-N 3.3Å; I65-C67 PolarHBondContact O-N 3.11Å; C67-Q69 VanDerWaalsContact C-N 3.34Å; C67-Q69 PolarHBondContact O-N 3.38Å; C67-S70 PolarHBondContact O-N 2.74Å; C67-K71 WeakPolarHBondContact O-CB 3.39Å; C67-K71 VanDerWaalsContact O-CG 3.24Å; C67-K71 WeakPolarHBondContact O-CG 3.34Å; C67-K71 PolarHBondContact O-N 2.87Å |
| 68 | V | 83.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 178 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | L32 Y64 I65 K71 L72 V84 L88 | L32-V68 HydrophobicContact CD2-CB 4.1Å; L32-V68 HydrophobicContact CD2-CG1 4.03Å; L32-V68 HydrophobicContact CD2-CG2 3.34Å; Y64-V68 HydrophobicContact CD1-CG2 4.03Å; Y64-V68 HydrophobicContact CD2-CG2 4.1Å; Y64-V68 HydrophobicContact CE1-CG2 3.68Å; Y64-V68 HydrophobicContact CE2-CG2 3.74Å; Y64-V68 HydrophobicContact CG-CG2 4.24Å; Y64-V68 WeakPolarHBondContact O-CG2 3.34Å; Y64-V68 PolarHBondContact O-N 2.94Å; I65-V68 PolarHBondContact O-N 2.94Å; V68-K71 PolarHBondContact O-N 3.34Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CB 3.03Å; V68-L72 VanDerWaalsContact O-CG 3.25Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.36Å; V68-V84 HydrophobicContact CG1-CG1 3.91Å; V68-L88 HydrophobicContact CB-CD1 4.18Å; V68-L88 HydrophobicContact CB-CD2 4.28Å; V68-L88 HydrophobicContact CG1-CD1 4.24Å; V68-L88 HydrophobicContact CG1-CD2 3.93Å; V68-L88 HydrophobicContact CG1-CG 4.46Å; V68-L88 HydrophobicContact CG2-CD1 4.13Å |
| 69 | Q | 84.1 | Confident | 82.5 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 52% | 0.523 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 179.2 | -74.7 | -176.4 | -11.4 | 0 | 0 | 112.6 | I65 I66 C67 K71 L72 A73 L88 | I65-Q69 HydrophobicContact CG2-CG 4.15Å; I65-Q69 VanDerWaalsContact O-CB 3.31Å; I65-Q69 WeakPolarHBondContact O-CB 3.4Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.26Å; I65-Q69 PolarHBondContact O-N 3.39Å; I66-Q69 PolarHBondContact O-N 3.48Å; C67-Q69 VanDerWaalsContact C-N 3.34Å; C67-Q69 PolarHBondContact O-N 3.38Å; Q69-K71 VanDerWaalsContact C-N 3.32Å; Q69-K71 PolarHBondContact O-N 3.09Å; Q69-L72 PolarHBondContact O-N 3.29Å; Q69-A73 PolarHBondContact O-N 3.37Å; Q69-L88 HydrophobicContact CG-CD2 4.37Å |
| 70 | S | 84.6 | Confident | 82.3 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59 | -44.9 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | I66 C67 A73 | I66-S70 WeakPolarHBondContact O-CB 3.02Å; I66-S70 PolarHBondContact O-N 3.21Å; C67-S70 PolarHBondContact O-N 2.74Å; S70-A73 WeakPolarHBondContact O-CB 3.21Å; S70-A73 PolarHBondContact O-N 2.91Å |
| 71 | K | 82.6 | Confident | 82.3 | Confident | 61 Ų | 61 | 62 Ų | 62 | 27% | 0.265 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 179.1 | -66.2 | -74.5 | -173.6 | 173.4 | 0 | 111.5 | M28 D31 C67 V68 Q69 A73 S74 | M28-K71 HydrophobicContact CB-CB 4.37Å; M28-K71 HydrophobicContact CG-CB 3.38Å; M28-K71 HydrophobicContact CG-CG 4.43Å; D31-K71 HydrophobicContact CB-CD 4.4Å; D31-K71 IonicContact OD2-NZ 3.24Å; D31-K71 PolarHBondContact OD2-NZ 3.35Å; C67-K71 WeakPolarHBondContact O-CB 3.39Å; C67-K71 VanDerWaalsContact O-CG 3.24Å; C67-K71 WeakPolarHBondContact O-CG 3.34Å; C67-K71 PolarHBondContact O-N 2.87Å; V68-K71 PolarHBondContact O-N 3.34Å; Q69-K71 VanDerWaalsContact C-N 3.32Å; Q69-K71 PolarHBondContact O-N 3.09Å; K71-A73 VanDerWaalsContact C-N 3.28Å; K71-A73 PolarHBondContact O-N 3.14Å; K71-S74 PolarHBondContact O-N 3Å; K71-S74 VanDerWaalsContact O-N 3.11Å; K71-S74 PolarHBondContact O-OG 2.96Å |
| 72 | L | 84 | Confident | 82.5 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.7 | -35.9 | 171.6 | -74.6 | 169.5 | 0 | 0 | 0 | 112.5 | M28 V68 Q69 S74 C75 K81 V84 Q85 | M28-L72 HydrophobicContact CE-CD2 3.81Å; M28-L72 HydrophobicContact CE-CG 4.44Å; M28-L72 HydrophobicContact SD-CD2 4.08Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CB 3.03Å; V68-L72 VanDerWaalsContact O-CG 3.25Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.36Å; Q69-L72 PolarHBondContact O-N 3.29Å; L72-S74 PolarHBondContact O-N 2.94Å; L72-C75 PolarHBondContact O-N 2.88Å; L72-C75 VanDerWaalsContact O-N 3.08Å; L72-K81 HydrophobicContact CD2-CB 4.39Å; L72-K81 HydrophobicContact CD2-CG 3.56Å; L72-K81 WeakPolarHBondContact O-CE 3.47Å; L72-K81 PolarHBondContact O-NZ 2.94Å; L72-V84 HydrophobicContact CD1-CG1 4.31Å; L72-V84 HydrophobicContact CD2-CB 4.03Å; L72-V84 HydrophobicContact CD2-CG1 3.94Å; L72-V84 HydrophobicContact CG-CG1 4.33Å; L72-Q85 HydrophobicContact CD1-CG 3.7Å |
| 73 | A | 82.5 | Confident | 82.5 | Confident | 74 Ų | 74 | 63.8 Ų | 63.8 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.4 | -25.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q69 S70 K71 | Q69-A73 PolarHBondContact O-N 3.37Å; S70-A73 WeakPolarHBondContact O-CB 3.21Å; S70-A73 PolarHBondContact O-N 2.91Å; K71-A73 VanDerWaalsContact C-N 3.28Å; K71-A73 PolarHBondContact O-N 3.14Å |
| 74 | S | 78.9 | Confident | 82.7 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 43% | 0.427 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.5 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 115.1 | K71 L72 | K71-S74 PolarHBondContact O-N 3Å; K71-S74 VanDerWaalsContact O-N 3.11Å; K71-S74 PolarHBondContact O-OG 2.96Å; L72-S74 PolarHBondContact O-N 2.94Å |
| 75 | C | 81 | Confident | 82.9 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -115.3 | 121.1 | -178.5 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | C25 M28 L72 K81 | C25-C75 HydrophobicContact CB-CB 3.95Å; C25-C75 WeakPolarHBondContact CB-SG 3.44Å; C25-C75 WeakPolarHBondContact SG-CA 3.42Å; C25-C75 WeakPolarHBondContact SG-CB 3.38Å; C25-C75 CovalentContact SG-SG 2.02Å; C25-C75 PolarHBondContact SG-SG 3.41Å; M28-C75 HydrophobicContact CE-CB 3.04Å; M28-C75 VanDerWaalsContact CE-SG 3.54Å; L72-C75 PolarHBondContact O-N 2.88Å; L72-C75 VanDerWaalsContact O-N 3.08Å; C75-K81 VanDerWaalsContact O-CD 3.25Å; C75-K81 WeakPolarHBondContact O-CD 3.44Å; C75-K81 WeakPolarHBondContact O-CE 3.35Å; C75-K81 PolarHBondContact O-NZ 3.35Å | ||
| 76 | D | 80.5 | Confident | 83.1 | Confident | 134 Ų | 134 | 66.2 Ų | 66.2 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | trans | -98.9 | -1.3 | -179.3 | -61.3 | -37.3 | 0 | 0 | 0 | 113.1 | D78 | D76-D78 PolarHBondContact O-N 2.98Š| ||
| 77 | D | 83.1 | Confident | 83 | Confident | 44 Ų | 44 | 68.3 Ų | 68.3 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | trans | -86.5 | 102.9 | 179 | -166.9 | -42.6 | 0 | 0 | 0 | 111.4 | C25 V79 I80 K81 | C25-D77 HydrophobicContact CB-CB 4.48Å; C25-D77 VanDerWaalsContact SG-CB 3.57Å; D77-V79 PolarHBondContact O-N 2.89Å; D77-V79 WeakPolarHBondContact OD1-CA 3.29Å; D77-V79 WeakPolarHBondContact OD1-CB 3.4Å; D77-V79 PolarHBondContact OD1-N 3.42Å; D77-I80 HydrophobicContact CB-CD1 4.37Å; D77-I80 PolarHBondContact O-N 2.91Å; D77-I80 VanDerWaalsContact O-N 3.11Å; D77-I80 PolarHBondContact OD1-N 2.84Å; D77-K81 WeakPolarHBondContact O-CB 3.26Å; D77-K81 PolarHBondContact O-N 2.93Å | ||
| 78 | D | 83.2 | Confident | 82.9 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -24.6 | 179.4 | -81.6 | -23.1 | 0 | 0 | 0 | 114.4 | D76 I80 K82 | D76-D78 PolarHBondContact O-N 2.98Å; D78-I80 VanDerWaalsContact C-N 3.29Å; D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.32Å; D78-K82 PolarHBondContact O-N 3.5Å; D78-K82 VanDerWaalsContact O-N 3.1Å |
| 79 | V | 83.2 | Confident | 82.9 | Confident | 120 Ų | 120 | 73.7 Ų | 73.7 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.3 | -35.8 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 110 | D77 P83 | D77-V79 PolarHBondContact O-N 2.89Å; D77-V79 WeakPolarHBondContact OD1-CA 3.29Å; D77-V79 WeakPolarHBondContact OD1-CB 3.4Å; D77-V79 PolarHBondContact OD1-N 3.42Å; V79-P83 WeakPolarHBondContact O-CD 3.36Å; V79-P83 WeakPolarHBondContact O-CG 3.41Å |
| 80 | I | 79.5 | Confident | 82.9 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -84.1 | -40.5 | 175.2 | -62.6 | 173.1 | 0 | 0 | 0 | 110.8 | F22 C25 V26 L29 D77 D78 P83 V84 | F22-I80 HydrophobicContact CD2-CD1 3.97Å; F22-I80 HydrophobicContact CE2-CD1 3.77Å; C25-I80 HydrophobicContact CB-CB 4.39Å; C25-I80 HydrophobicContact CB-CD1 3.53Å; C25-I80 HydrophobicContact CB-CG2 4.26Å; V26-I80 HydrophobicContact CG2-CD1 4.35Å; L29-I80 HydrophobicContact CD1-CG2 3.94Å; L29-I80 HydrophobicContact CD2-CG2 4.14Å; L29-I80 HydrophobicContact CG-CG2 4.08Å; D77-I80 HydrophobicContact CB-CD1 4.37Å; D77-I80 PolarHBondContact O-N 2.91Å; D77-I80 VanDerWaalsContact O-N 3.11Å; D77-I80 PolarHBondContact OD1-N 2.84Å; D78-I80 VanDerWaalsContact C-N 3.29Å; I80-P83 WeakPolarHBondContact O-CD 3.48Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å |
| 81 | K | 82.3 | Confident | 82.4 | Confident | 40 Ų | 40 | 69.3 Ų | 69.3 | 17% | 0.174 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -46.6 | -174.5 | -128.7 | 174 | 173.4 | 158.8 | 0 | 113.2 | L72 C75 D77 V84 Q85 | L72-K81 HydrophobicContact CD2-CB 4.39Å; L72-K81 HydrophobicContact CD2-CG 3.56Å; L72-K81 WeakPolarHBondContact O-CE 3.47Å; L72-K81 PolarHBondContact O-NZ 2.94Å; C75-K81 VanDerWaalsContact O-CD 3.25Å; C75-K81 WeakPolarHBondContact O-CD 3.44Å; C75-K81 WeakPolarHBondContact O-CE 3.35Å; C75-K81 PolarHBondContact O-NZ 3.35Å; D77-K81 WeakPolarHBondContact O-CB 3.26Å; D77-K81 PolarHBondContact O-N 2.93Å; K81-V84 PolarHBondContact O-N 3.27Å; K81-Q85 WeakPolarHBondContact O-CG 3.25Å; K81-Q85 PolarHBondContact O-N 2.84Å |
| 82 | K | 84.8 | Confident | 82 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 55% | 0.548 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -51.1 | -173 | -79.2 | 178.2 | 179.4 | 176.3 | 0 | 113.2 | D78 V84 Q85 E86 | D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.32Å; D78-K82 PolarHBondContact O-N 3.5Å; D78-K82 VanDerWaalsContact O-N 3.1Å; K82-V84 VanDerWaalsContact C-N 3.28Å; K82-V84 PolarHBondContact O-N 2.96Å; K82-Q85 PolarHBondContact O-N 2.86Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; K82-E86 PolarHBondContact O-N 3.37Å |
| 83 | P | 85.3 | Confident | 81.5 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -57.1 | -40.6 | 177.8 | -25.6 | 33.6 | 0 | 0 | 0 | 113.1 | V79 I80 E86 Q87 | V79-P83 WeakPolarHBondContact O-CD 3.36Å; V79-P83 WeakPolarHBondContact O-CG 3.41Å; I80-P83 WeakPolarHBondContact O-CD 3.48Å; P83-E86 PolarHBondContact O-N 2.99Å; P83-Q87 WeakPolarHBondContact O-CG 3.35Å; P83-Q87 PolarHBondContact O-N 3.42Å |
| 84 | V | 84.3 | Confident | 81.4 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 7% | 0.073 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 178.9 | 179 | 0 | 0 | 0 | 0 | 111.1 | L29 L32 V68 L72 I80 K81 K82 E86 Q87 L88 | L29-V84 HydrophobicContact CD2-CG2 3.53Å; L32-V84 HydrophobicContact CD1-CG1 3.98Å; V68-V84 HydrophobicContact CG1-CG1 3.91Å; L72-V84 HydrophobicContact CD1-CG1 4.31Å; L72-V84 HydrophobicContact CD2-CB 4.03Å; L72-V84 HydrophobicContact CD2-CG1 3.94Å; L72-V84 HydrophobicContact CG-CG1 4.33Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å; K81-V84 PolarHBondContact O-N 3.27Å; K82-V84 VanDerWaalsContact C-N 3.28Å; K82-V84 PolarHBondContact O-N 2.96Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.36Å; V84-Q87 PolarHBondContact O-N 3.38Å; V84-L88 WeakPolarHBondContact O-CB 3.4Å; V84-L88 PolarHBondContact O-N 3.39Å |
| 85 | Q | 84.7 | Confident | 81.6 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 173.9 | -76.1 | -177.4 | -18.8 | 0 | 0 | 112.5 | L72 K81 K82 L88 K89 | L72-Q85 HydrophobicContact CD1-CG 3.7Å; K81-Q85 WeakPolarHBondContact O-CG 3.25Å; K81-Q85 PolarHBondContact O-N 2.84Å; K82-Q85 PolarHBondContact O-N 2.86Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; Q85-L88 PolarHBondContact O-N 3Å; Q85-K89 WeakPolarHBondContact O-CG 3.25Å; Q85-K89 PolarHBondContact O-N 3.18Å |
| 86 | E | 86.5 | Confident | 81.6 | Confident | 123 Ų | 123 | 84.8 Ų | 84.8 | 58% | 0.575 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.5 | -42.2 | 175.9 | -111.1 | 149.1 | -169.6 | 0 | 0 | 112.2 | K82 P83 V84 L88 K89 T90 | K82-E86 PolarHBondContact O-N 3.37Å; P83-E86 PolarHBondContact O-N 2.99Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.36Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-K89 PolarHBondContact O-N 2.93Å; E86-T90 WeakPolarHBondContact O-CB 3.49Å; E86-T90 PolarHBondContact O-N 2.9Å; E86-T90 PolarHBondContact O-OG1 3.21Å |
| 87 | Q | 80.3 | Confident | 81.7 | Confident | 136 Ų | 136 | 81.9 Ų | 81.9 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 171.3 | -74 | 179.5 | 6.8 | 0 | 0 | 111.3 | P83 V84 K89 T90 F91 | P83-Q87 WeakPolarHBondContact O-CG 3.35Å; P83-Q87 PolarHBondContact O-N 3.42Å; V84-Q87 PolarHBondContact O-N 3.38Å; Q87-K89 PolarHBondContact O-N 3.06Å; Q87-T90 CarbonylContact O-C 3.57Å; Q87-T90 PolarHBondContact O-N 3.45Å; Q87-F91 WeakPolarHBondContact O-CB 3.39Å; Q87-F91 PolarHBondContact O-N 2.99Å |
| 88 | L | 81.9 | Confident | 81.6 | Confident | 14 Ų | 14 | 84.3 Ų | 84.3 | 7% | 0.073 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.7 | -172.7 | 68.1 | 0 | 0 | 0 | 111.5 | Y64 I65 V68 Q69 V84 Q85 E86 T90 F91 L92 | Y64-L88 HydrophobicContact CD1-CD1 4Å; Y64-L88 HydrophobicContact CE1-CD1 3.8Å; I65-L88 HydrophobicContact CG1-CD1 4.23Å; V68-L88 HydrophobicContact CB-CD1 4.18Å; V68-L88 HydrophobicContact CB-CD2 4.28Å; V68-L88 HydrophobicContact CG1-CD1 4.24Å; V68-L88 HydrophobicContact CG1-CD2 3.93Å; V68-L88 HydrophobicContact CG1-CG 4.46Å; V68-L88 HydrophobicContact CG2-CD1 4.13Å; Q69-L88 HydrophobicContact CG-CD2 4.37Å; V84-L88 WeakPolarHBondContact O-CB 3.4Å; V84-L88 PolarHBondContact O-N 3.39Å; Q85-L88 PolarHBondContact O-N 3Å; E86-L88 VanDerWaalsContact C-N 3.34Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.18Å; L88-F91 WeakPolarHBondContact O-CB 3.39Å; L88-F91 PolarHBondContact O-N 3.47Å; L88-L92 HydrophobicContact CG-CD1 4.39Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.24Å; L88-L92 PolarHBondContact O-N 2.93Å |
| 89 | K | 83.3 | Confident | 81.5 | Confident | 134 Ų | 134 | 83.3 Ų | 83.3 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 174.3 | -76.2 | 176.8 | -176.6 | 176.5 | 0 | 111.8 | Q85 E86 Q87 F91 L92 Q93 | Q85-K89 WeakPolarHBondContact O-CG 3.25Å; Q85-K89 PolarHBondContact O-N 3.18Å; E86-K89 PolarHBondContact O-N 2.93Å; Q87-K89 PolarHBondContact O-N 3.06Å; K89-F91 VanDerWaalsContact C-N 3.25Å; K89-F91 PolarHBondContact O-N 3.25Å; K89-L92 PolarHBondContact O-N 3.11Å; K89-Q93 PolarHBondContact O-N 3.01Å |
| 90 | T | 83.4 | Confident | 81.3 | Confident | 87 Ų | 87 | 80.7 Ų | 80.7 | 53% | 0.534 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.3 | -28.3 | 176.9 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | K55 E86 Q87 L88 L92 | K55-T90 PolarHBondContact NZ-O 3.38Å; K55-T90 VanDerWaalsContact NZ-O 3.1Å; E86-T90 WeakPolarHBondContact O-CB 3.49Å; E86-T90 PolarHBondContact O-N 2.9Å; E86-T90 PolarHBondContact O-OG1 3.21Å; Q87-T90 CarbonylContact O-C 3.57Å; Q87-T90 PolarHBondContact O-N 3.45Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.18Å; T90-L92 VanDerWaalsContact C-N 3.31Å |
| 91 | F | 76.1 | Confident | 81.5 | Confident | 15 Ų | 15 | 85.1 Ų | 85.1 | 7% | 0.066 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.3 | -31.2 | 175 | -176 | -97 | 0 | 0 | 0 | 112.4 | L51 C54 K55 K61 Y64 Q87 L88 K89 | L51-F91 HydrophobicContact CB-CE2 3.89Å; L51-F91 HydrophobicContact CD2-CD2 3.72Å; L51-F91 HydrophobicContact CD2-CE2 3.24Å; L51-F91 HydrophobicContact CD2-CZ 3.85Å; L51-F91 HydrophobicContact CG-CE2 4.18Å; L51-F91 VanDerWaalsContact O-CE2 3.29Å; L51-F91 WeakPolarHBondContact O-CE2 3.46Å; C54-F91 HydrophobicContact CB-CZ 4.39Å; K55-F91 HydrophobicContact CB-CE2 4.37Å; K55-F91 HydrophobicContact CB-CZ 4.32Å; K55-F91 HydrophobicContact CD-CD2 4.09Å; K55-F91 HydrophobicContact CD-CE2 4.06Å; K55-F91 WeakPolarHBondContact CE-O 3.37Å; K55-F91 HydrophobicContact CG-CD2 3.66Å; K55-F91 HydrophobicContact CG-CE1 4.15Å; K55-F91 HydrophobicContact CG-CE2 3.17Å; K55-F91 HydrophobicContact CG-CG 4.3Å; K55-F91 HydrophobicContact CG-CZ 3.46Å; K55-F91 VanDerWaalsContact CG-CZ 3.46Å; K55-F91 PolarHBondContact NZ-O 3.08Å; K61-F91 HydrophobicContact CG-CD1 4.47Å; K61-F91 HydrophobicContact CG-CE1 3.66Å; K61-F91 HydrophobicContact CG-CZ 4.35Å; Y64-F91 AromaticContact CD1-CD1 3.89Å; Y64-F91 HydrophobicContact CD1-CD1 3.89Å; Y64-F91 AromaticContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CZ 4.23Å; Y64-F91 HydrophobicContact CE1-CD1 4.1Å; Y64-F91 HydrophobicContact CE1-CE1 4.25Å; Y64-F91 HydrophobicContact CE1-CG 4.28Å; Q87-F91 WeakPolarHBondContact O-CB 3.39Å; Q87-F91 PolarHBondContact O-N 2.99Å; L88-F91 WeakPolarHBondContact O-CB 3.39Å; L88-F91 PolarHBondContact O-N 3.47Å; K89-F91 VanDerWaalsContact C-N 3.25Å; K89-F91 PolarHBondContact O-N 3.25Å |
| 92 | L | 72.5 | Confident | 81.4 | Confident | 78 Ų | 78 | 88.8 Ų | 88.8 | 41% | 0.408 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -90.1 | -18.7 | -175.9 | -63.9 | 173.1 | 0 | 0 | 0 | 114.9 | I65 L88 K89 T90 | I65-L92 HydrophobicContact CD1-CD1 4Å; I65-L92 HydrophobicContact CD1-CD2 3.27Å; I65-L92 HydrophobicContact CD1-CG 4.25Å; I65-L92 HydrophobicContact CG1-CD1 4.14Å; I65-L92 HydrophobicContact CG1-CD2 3.67Å; I65-L92 HydrophobicContact CG1-CG 4.39Å; L88-L92 HydrophobicContact CG-CD1 4.39Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.24Å; L88-L92 PolarHBondContact O-N 2.93Å; K89-L92 PolarHBondContact O-N 3.11Å; T90-L92 VanDerWaalsContact C-N 3.31Å |
| 93 | Q | 73.7 | Confident | 81.1 | Confident | 195 Ų | 195 | 85.5 Ų | 85.5 | 91% | 0.911 | 42% | 0.423 | S | S | * | . | trans | -74.2 | 0 | 167.3 | -67.4 | 177.5 | -6.2 | 0 | 0 | 110.4 | K89 | K89-Q93 PolarHBondContact O-N 3.01Š|
Retrieved 93 of 93 residues in 40 ms
(Link to these results)