| 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 | 49.2 | Very low | 67.8 | Low | 238 Ų | 238 | 107 Ų | 107 | 100% | 1.172 | 62% | 0.616 | S | S | * | * | 0 | 125 | 0 | -78.6 | -163.8 | 169.2 | 0 | 0 | 108 | |||||
| 2 | P | 52.3 | Low | 68.5 | Low | 94 Ų | 94 | 103.3 Ų | 103.3 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | trans | -87.5 | 154.9 | -164.6 | 24.2 | -13.8 | 0 | 0 | 0 | 113 | V4 | P2-V4 HydrophobicContact CB-CG1 4.49Å; P2-V4 HydrophobicContact CB-CG2 4.24Å; P2-V4 HydrophobicContact CG-CG2 3.94Å; P2-V4 PolarHBondContact O-N 3.46Å | ||
| 3 | P | 58.7 | Low | 69.7 | Low | 109 Ų | 109 | 102.2 Ų | 102.2 | 71% | 0.708 | 59% | 0.59 | S | S | * | * | trans | -82.5 | 38.5 | 179.7 | 36.6 | -36.2 | 0 | 0 | 0 | 112.6 | N5 | P3-N5 PolarHBondContact O-N 3.08Š| ||
| 4 | V | 60.6 | Low | 70.4 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.6 | -19.1 | -176.7 | -87.3 | 0 | 0 | 0 | 0 | 113.3 | P2 N6 S8 | P2-V4 HydrophobicContact CB-CG1 4.49Å; P2-V4 HydrophobicContact CB-CG2 4.24Å; P2-V4 HydrophobicContact CG-CG2 3.94Å; P2-V4 PolarHBondContact O-N 3.46Å; V4-N6 PolarHBondContact O-N 3.34Å; V4-S8 PolarHBondContact O-OG 3.36Å |
| 5 | N | 68.1 | Low | 70.7 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 57% | 0.572 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -74.1 | -25.9 | -174.7 | -61.5 | -5.2 | 0 | 0 | 0 | 113.3 | P3 S8 Q9 | P3-N5 PolarHBondContact O-N 3.08Å; N5-S8 PolarHBondContact O-OG 3.44Å; N5-Q9 VanDerWaalsContact O-CG 3.23Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-NE2 3.36Å |
| 6 | N | 72.4 | Confident | 71.2 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -81.6 | -44.6 | -176 | -62.5 | -24.9 | 0 | 0 | 0 | 110.7 | V4 S8 Q9 F10 | V4-N6 PolarHBondContact O-N 3.34Å; N6-S8 PolarHBondContact O-N 3.29Å; N6-Q9 PolarHBondContact O-N 3.27Å; N6-F10 HydrophobicContact CB-CE2 4.33Å; N6-F10 WeakPolarHBondContact O-CD2 3.32Å; N6-F10 PolarHBondContact O-N 2.89Å |
| 7 | A | 74.8 | Confident | 71.6 | Confident | 70 Ų | 70 | 107.2 Ų | 107.2 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.2 | -39.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F10 A11 | A7-F10 PolarHBondContact O-N 3.47Å; A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 2.99Å |
| 8 | S | 75.2 | Confident | 71.6 | Confident | 67 Ų | 67 | 105 Ų | 105 | 47% | 0.469 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.6 | -32.5 | 177.5 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | V4 N5 N6 S12 | V4-S8 PolarHBondContact O-OG 3.36Å; N5-S8 PolarHBondContact O-OG 3.44Å; N6-S8 PolarHBondContact O-N 3.29Å; S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 2.8Å; S8-S12 PolarHBondContact O-OG 3.22Å |
| 9 | Q | 80.1 | Confident | 71.5 | Confident | 111 Ų | 111 | 103.7 Ų | 103.7 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -45.9 | 173.5 | -75.7 | 178.6 | 57.3 | 0 | 0 | 111.6 | N5 N6 A11 S12 I13 | N5-Q9 VanDerWaalsContact O-CG 3.23Å; N5-Q9 WeakPolarHBondContact O-CG 3.38Å; N5-Q9 PolarHBondContact O-NE2 3.36Å; N6-Q9 PolarHBondContact O-N 3.27Å; Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 3.02Å; Q9-S12 PolarHBondContact O-N 3.36Å; Q9-I13 WeakPolarHBondContact O-CD1 3.49Å; Q9-I13 WeakPolarHBondContact O-CG1 3.31Å; Q9-I13 PolarHBondContact O-N 3.43Å |
| 10 | F | 77 | Confident | 71.6 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -43.1 | 175.7 | -75.4 | -66.8 | 0 | 0 | 0 | 112 | N6 A7 S12 I13 I14 | N6-F10 HydrophobicContact CB-CE2 4.33Å; N6-F10 WeakPolarHBondContact O-CD2 3.32Å; N6-F10 PolarHBondContact O-N 2.89Å; A7-F10 PolarHBondContact O-N 3.47Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.48Å; F10-I13 PolarHBondContact O-N 3.11Å; F10-I14 WeakPolarHBondContact O-CB 3.43Å; F10-I14 WeakPolarHBondContact O-CD1 3.45Å; F10-I14 VanDerWaalsContact O-CG1 3.25Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.99Å |
| 11 | A | 78 | Confident | 71.6 | Confident | 61 Ų | 61 | 100.4 Ų | 100.4 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.8 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A7 Q9 H15 | A7-A11 WeakPolarHBondContact O-CB 3.4Å; A7-A11 PolarHBondContact O-N 2.99Å; Q9-A11 VanDerWaalsContact C-N 3.34Å; Q9-A11 PolarHBondContact O-N 3.02Å; A11-H15 WeakPolarHBondContact O-CB 3.27Å; A11-H15 PolarHBondContact O-N 3.31Å |
| 12 | S | 75.7 | Confident | 72.6 | Confident | 62 Ų | 62 | 91.1 Ų | 91.1 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | S8 Q9 F10 H15 W16 | S8-S12 WeakPolarHBondContact O-CB 3.33Å; S8-S12 PolarHBondContact O-N 2.8Å; S8-S12 PolarHBondContact O-OG 3.22Å; Q9-S12 PolarHBondContact O-N 3.36Å; F10-S12 VanDerWaalsContact C-N 3.33Å; F10-S12 PolarHBondContact O-N 3.48Å; S12-H15 WeakPolarHBondContact O-CB 3.4Å; S12-H15 PolarHBondContact O-N 3.46Å; S12-W16 PolarHBondContact O-N 3.12Å |
| 13 | I | 83.6 | Confident | 73.4 | Confident | 89 Ų | 89 | 89.5 Ų | 89.5 | 46% | 0.456 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 179.9 | -67.1 | 162 | 0 | 0 | 0 | 110.8 | Q9 F10 H15 W16 I17 | Q9-I13 WeakPolarHBondContact O-CD1 3.49Å; Q9-I13 WeakPolarHBondContact O-CG1 3.31Å; Q9-I13 PolarHBondContact O-N 3.43Å; F10-I13 PolarHBondContact O-N 3.11Å; I13-H15 VanDerWaalsContact C-N 3.26Å; I13-H15 PolarHBondContact O-N 3.02Å; I13-W16 PolarHBondContact O-N 3.32Å; I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.4Å; I13-I17 WeakPolarHBondContact O-CB 3.25Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.5Å; I13-I17 PolarHBondContact O-N 3.09Å |
| 14 | I | 79.8 | Confident | 74 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -36.9 | 177.3 | -67.3 | 166.1 | 0 | 0 | 0 | 110.7 | F10 S18 | F10-I14 WeakPolarHBondContact O-CB 3.43Å; F10-I14 WeakPolarHBondContact O-CD1 3.45Å; F10-I14 VanDerWaalsContact O-CG1 3.25Å; F10-I14 WeakPolarHBondContact O-CG1 3.42Å; F10-I14 PolarHBondContact O-N 2.99Å; I14-S18 WeakPolarHBondContact O-CB 3.42Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 3.48Å |
| 15 | H | 75.2 | Confident | 74.3 | Confident | 125 Ų | 125 | 89 Ų | 89 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -46.6 | 175.9 | -169.2 | 66.7 | 0 | 0 | 0 | 111.8 | A11 S12 I13 S18 L19 | A11-H15 WeakPolarHBondContact O-CB 3.27Å; A11-H15 PolarHBondContact O-N 3.31Å; S12-H15 WeakPolarHBondContact O-CB 3.4Å; S12-H15 PolarHBondContact O-N 3.46Å; I13-H15 VanDerWaalsContact C-N 3.26Å; I13-H15 PolarHBondContact O-N 3.02Å; H15-S18 PolarHBondContact O-N 3.47Å; H15-L19 WeakPolarHBondContact O-CB 3.44Å; H15-L19 PolarHBondContact O-N 3.26Å |
| 16 | W | 78.2 | Confident | 74.3 | Confident | 172 Ų | 172 | 87.1 Ų | 87.1 | 65% | 0.652 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.6 | -38.4 | 177.3 | -75.2 | 111.5 | 0 | 0 | 0 | 113.3 | S12 I13 L19 A20 | S12-W16 PolarHBondContact O-N 3.12Å; I13-W16 PolarHBondContact O-N 3.32Å; W16-L19 PolarHBondContact O-N 3.34Å; W16-A20 VanDerWaalsContact O-CB 3.32Å; W16-A20 WeakPolarHBondContact O-CB 3.48Å; W16-A20 PolarHBondContact O-N 3.43Å |
| 17 | I | 77.8 | Confident | 73.8 | Confident | 92 Ų | 92 | 86.2 Ų | 86.2 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 176.3 | -69.3 | 167.8 | 0 | 0 | 0 | 110.5 | I13 L19 A20 I21 | I13-I17 HydrophobicContact CG2-CD1 3.64Å; I13-I17 HydrophobicContact CG2-CG1 4.4Å; I13-I17 WeakPolarHBondContact O-CB 3.25Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.5Å; I13-I17 PolarHBondContact O-N 3.09Å; I17-L19 VanDerWaalsContact C-N 3.3Å; I17-L19 PolarHBondContact O-N 2.85Å; I17-A20 PolarHBondContact O-N 3.31Å; I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.44Å; I17-I21 PolarHBondContact O-N 3.45Å |
| 18 | S | 71.6 | Confident | 73.6 | Confident | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | I14 H15 L22 | I14-S18 WeakPolarHBondContact O-CB 3.42Å; I14-S18 PolarHBondContact O-N 2.85Å; I14-S18 PolarHBondContact O-OG 3.48Å; H15-S18 PolarHBondContact O-N 3.47Å; S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 2.97Å |
| 19 | L | 71.3 | Confident | 73.1 | Confident | 80 Ų | 80 | 85.3 Ų | 85.3 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 175.5 | -170.7 | 150.1 | 0 | 0 | 0 | 111.9 | H15 W16 I17 L22 S23 | H15-L19 WeakPolarHBondContact O-CB 3.44Å; H15-L19 PolarHBondContact O-N 3.26Å; W16-L19 PolarHBondContact O-N 3.34Å; I17-L19 VanDerWaalsContact C-N 3.3Å; I17-L19 PolarHBondContact O-N 2.85Å; L19-L22 PolarHBondContact O-N 2.93Å; L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.42Å |
| 20 | A | 72.7 | Confident | 72.5 | Confident | 51 Ų | 51 | 82.8 Ų | 82.8 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W16 I17 L22 S23 V24 | W16-A20 VanDerWaalsContact O-CB 3.32Å; W16-A20 WeakPolarHBondContact O-CB 3.48Å; W16-A20 PolarHBondContact O-N 3.43Å; I17-A20 PolarHBondContact O-N 3.31Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.29Å; A20-S23 WeakPolarHBondContact O-CB 3.41Å; A20-S23 PolarHBondContact O-N 2.9Å; A20-V24 WeakPolarHBondContact O-CG2 3.36Å; A20-V24 PolarHBondContact O-N 2.91Å |
| 21 | I | 71.1 | Confident | 71.9 | Confident | 88 Ų | 88 | 83.2 Ų | 83.2 | 45% | 0.451 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.1 | -66.3 | 165.9 | 0 | 0 | 0 | 110.4 | I17 S23 V24 F25 | I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.44Å; I17-I21 PolarHBondContact O-N 3.45Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.25Å; I21-V24 PolarHBondContact O-N 3.48Å; I21-F25 HydrophobicContact CG2-CD2 3.68Å; I21-F25 HydrophobicContact CG2-CE2 3.6Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 3.01Å |
| 22 | L | 71.7 | Confident | 71.2 | Confident | 43 Ų | 43 | 87.3 Ų | 87.3 | 23% | 0.225 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 175.4 | -173.9 | 63.3 | 0 | 0 | 0 | 112.2 | S18 L19 A20 F25 F26 | S18-L22 VanDerWaalsContact O-CB 3.29Å; S18-L22 WeakPolarHBondContact O-CB 3.27Å; S18-L22 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 2.93Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 3.29Å; L22-F25 PolarHBondContact O-N 3.11Å; L22-F26 VanDerWaalsContact O-CB 3.26Å; L22-F26 WeakPolarHBondContact O-CB 3.33Å; L22-F26 PolarHBondContact O-N 3.44Å |
| 23 | S | 67.9 | Low | 70.7 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 42% | 0.42 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 177 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | L19 A20 I21 F26 T27 | L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.42Å; A20-S23 WeakPolarHBondContact O-CB 3.41Å; A20-S23 PolarHBondContact O-N 2.9Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 3.25Å; S23-F26 PolarHBondContact O-N 2.92Å; S23-T27 WeakPolarHBondContact O-CG2 3.32Å; S23-T27 PolarHBondContact O-N 3Å; S23-T27 PolarHBondContact O-OG1 3.33Å |
| 24 | V | 71.6 | Confident | 69.7 | Low | 92 Ų | 92 | 85.3 Ų | 85.3 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.7 | -46.4 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | A20 I21 F26 T27 E28 | A20-V24 WeakPolarHBondContact O-CG2 3.36Å; A20-V24 PolarHBondContact O-N 2.91Å; I21-V24 PolarHBondContact O-N 3.48Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 3.12Å; V24-T27 WeakPolarHBondContact CA-OG1 3.44Å; V24-T27 PolarHBondContact O-N 3.28Å; V24-T27 PolarHBondContact O-OG1 2.95Å; V24-E28 WeakPolarHBondContact O-CB 3.22Å; V24-E28 PolarHBondContact O-N 3.46Å |
| 25 | F | 66.8 | Low | 68.9 | Low | 97 Ų | 97 | 83.8 Ų | 83.8 | 43% | 0.425 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.1 | -35.5 | 174.5 | -83.3 | -62.5 | 0 | 0 | 0 | 112.8 | I21 L22 T29 | I21-F25 HydrophobicContact CG2-CD2 3.68Å; I21-F25 HydrophobicContact CG2-CE2 3.6Å; I21-F25 WeakPolarHBondContact O-CD2 3.46Å; I21-F25 PolarHBondContact O-N 3.01Å; L22-F25 PolarHBondContact O-N 3.11Å; F25-T29 VanDerWaalsContact O-CB 3.26Å; F25-T29 WeakPolarHBondContact O-CB 3.43Å; F25-T29 PolarHBondContact O-N 3.23Å; F25-T29 PolarHBondContact O-OG1 3.47Å |
| 26 | F | 66.9 | Low | 68.1 | Low | 68 Ų | 68 | 84.1 Ų | 84.1 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.6 | -51.3 | 176.2 | 172.2 | -119.9 | 0 | 0 | 0 | 111.6 | L22 S23 V24 E28 T29 V30 L58 M61 | L22-F26 VanDerWaalsContact O-CB 3.26Å; L22-F26 WeakPolarHBondContact O-CB 3.33Å; L22-F26 PolarHBondContact O-N 3.44Å; S23-F26 PolarHBondContact O-N 2.92Å; V24-F26 VanDerWaalsContact C-N 3.27Å; V24-F26 PolarHBondContact O-N 3.12Å; F26-E28 PolarHBondContact O-N 2.97Å; F26-T29 PolarHBondContact O-N 2.89Å; F26-V30 HydrophobicContact CD2-CG2 3.69Å; F26-V30 HydrophobicContact CE1-CG2 4.36Å; F26-V30 HydrophobicContact CE2-CG2 3.31Å; F26-V30 HydrophobicContact CG-CG2 4.4Å; F26-V30 HydrophobicContact CZ-CG2 3.71Å; F26-V30 WeakPolarHBondContact O-CB 3.34Å; F26-V30 VanDerWaalsContact O-CG2 3.3Å; F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.33Å; F26-L58 HydrophobicContact CE2-CD1 3.87Å; F26-L58 HydrophobicContact CZ-CD1 4.04Å; F26-M61 HydrophobicContact CB-SD 3.99Å; F26-M61 HydrophobicContact CD2-CE 3.11Å; F26-M61 HydrophobicContact CD2-SD 3.23Å; F26-M61 WeakPolarHBondContact CD2-SD 3.46Å; F26-M61 HydrophobicContact CE2-CE 3.17Å; F26-M61 HydrophobicContact CE2-SD 3.89Å; F26-M61 HydrophobicContact CG-CE 4.24Å; F26-M61 HydrophobicContact CG-SD 3.84Å; F26-M61 HydrophobicContact CZ-CE 4.34Å |
| 27 | T | 62.5 | Low | 67.2 | Low | 76 Ų | 76 | 76.7 Ų | 76.7 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 112 | S23 V24 F31 | S23-T27 WeakPolarHBondContact O-CG2 3.32Å; S23-T27 PolarHBondContact O-N 3Å; S23-T27 PolarHBondContact O-OG1 3.33Å; V24-T27 WeakPolarHBondContact CA-OG1 3.44Å; V24-T27 PolarHBondContact O-N 3.28Å; V24-T27 PolarHBondContact O-OG1 2.95Å; T27-F31 WeakPolarHBondContact O-CB 3.44Å; T27-F31 PolarHBondContact O-N 2.92Å |
| 28 | E | 70.5 | Confident | 66.2 | Low | 82 Ų | 82 | 77 Ų | 77 | 38% | 0.383 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173.3 | -172.6 | -172.7 | 166.3 | 0 | 0 | 111.7 | V24 F26 F31 R32 | V24-E28 WeakPolarHBondContact O-CB 3.22Å; V24-E28 PolarHBondContact O-N 3.46Å; F26-E28 PolarHBondContact O-N 2.97Å; E28-F31 PolarHBondContact O-N 3.41Å; E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 WeakPolarHBondContact O-CG 3.41Å; E28-R32 PolarHBondContact O-N 3.5Å; E28-R32 IonicContact OE1-CZ 3.44Å; E28-R32 IonicContact OE1-NE 3.21Å; E28-R32 PolarHBondContact OE1-NE 3.25Å; E28-R32 IonicContact OE1-NH2 2.93Å; E28-R32 PolarHBondContact OE1-NH2 3.46Å |
| 29 | T | 65.8 | Low | 65.4 | Low | 37 Ų | 37 | 84.7 Ų | 84.7 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.7 | -44.8 | -179.6 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | F25 F26 R32 I33 | F25-T29 VanDerWaalsContact O-CB 3.26Å; F25-T29 WeakPolarHBondContact O-CB 3.43Å; F25-T29 PolarHBondContact O-N 3.23Å; F25-T29 PolarHBondContact O-OG1 3.47Å; F26-T29 PolarHBondContact O-N 2.89Å; T29-R32 PolarHBondContact O-N 3.37Å; T29-I33 HydrophobicContact CG2-CD1 3.66Å; T29-I33 HydrophobicContact CG2-CG1 4.5Å; T29-I33 WeakPolarHBondContact O-CB 3.27Å; T29-I33 WeakPolarHBondContact O-CD1 3.4Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 3.3Å |
| 30 | V | 67.8 | Low | 64.7 | Low | 58 Ų | 58 | 86.9 Ų | 86.9 | 35% | 0.352 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | F26 R32 I33 V34 | F26-V30 HydrophobicContact CD2-CG2 3.69Å; F26-V30 HydrophobicContact CE1-CG2 4.36Å; F26-V30 HydrophobicContact CE2-CG2 3.31Å; F26-V30 HydrophobicContact CG-CG2 4.4Å; F26-V30 HydrophobicContact CZ-CG2 3.71Å; F26-V30 WeakPolarHBondContact O-CB 3.34Å; F26-V30 VanDerWaalsContact O-CG2 3.3Å; F26-V30 WeakPolarHBondContact O-CG2 3.42Å; F26-V30 PolarHBondContact O-N 3.33Å; V30-R32 PolarHBondContact O-N 3.09Å; V30-I33 PolarHBondContact O-N 2.91Å; V30-V34 HydrophobicContact CG1-CG2 3.89Å; V30-V34 VanDerWaalsContact O-CB 3.25Å; V30-V34 WeakPolarHBondContact O-CB 3.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.3Å; V30-V34 PolarHBondContact O-N 2.93Å |
| 31 | F | 64.2 | Low | 63.7 | Low | 141 Ų | 141 | 89 Ų | 89 | 62% | 0.618 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 178.4 | -172.7 | -99.5 | 0 | 0 | 0 | 112 | T27 E28 I33 V34 V35 | T27-F31 WeakPolarHBondContact O-CB 3.44Å; T27-F31 PolarHBondContact O-N 2.92Å; E28-F31 PolarHBondContact O-N 3.41Å; F31-I33 PolarHBondContact O-N 2.99Å; F31-V34 PolarHBondContact O-N 3.48Å; F31-V35 HydrophobicContact CD1-CG2 4.07Å; F31-V35 HydrophobicContact CD2-CG2 4.27Å; F31-V35 HydrophobicContact CE1-CG2 3.79Å; F31-V35 HydrophobicContact CE2-CG2 4Å; F31-V35 HydrophobicContact CG-CG2 4.31Å; F31-V35 HydrophobicContact CZ-CG2 3.75Å; F31-V35 VanDerWaalsContact O-CB 3.27Å; F31-V35 WeakPolarHBondContact O-CB 3.26Å; F31-V35 WeakPolarHBondContact O-CG2 3.4Å; F31-V35 PolarHBondContact O-N 2.9Å |
| 32 | R | 63.8 | Low | 62.9 | Low | 147 Ų | 147 | 92.6 Ų | 92.6 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 174.7 | -75.5 | 179.8 | -175.2 | -112.2 | 6.3 | 112.3 | E28 T29 V30 L36 | E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 WeakPolarHBondContact O-CG 3.41Å; E28-R32 PolarHBondContact O-N 3.5Å; E28-R32 IonicContact OE1-CZ 3.44Å; E28-R32 IonicContact OE1-NE 3.21Å; E28-R32 PolarHBondContact OE1-NE 3.25Å; E28-R32 IonicContact OE1-NH2 2.93Å; E28-R32 PolarHBondContact OE1-NH2 3.46Å; T29-R32 PolarHBondContact O-N 3.37Å; V30-R32 PolarHBondContact O-N 3.09Å; R32-L36 WeakPolarHBondContact O-CB 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.44Å; R32-L36 PolarHBondContact O-N 2.84Å |
| 33 | I | 64.1 | Low | 62.2 | Low | 46 Ų | 46 | 99.3 Ų | 99.3 | 24% | 0.236 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 176.8 | -68 | 162.7 | 0 | 0 | 0 | 111.2 | T29 V30 F31 G37 I54 | T29-I33 HydrophobicContact CG2-CD1 3.66Å; T29-I33 HydrophobicContact CG2-CG1 4.5Å; T29-I33 WeakPolarHBondContact O-CB 3.27Å; T29-I33 WeakPolarHBondContact O-CD1 3.4Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 3.3Å; V30-I33 PolarHBondContact O-N 2.91Å; F31-I33 PolarHBondContact O-N 2.99Å; I33-G37 WeakPolarHBondContact O-CA 3.35Å; I33-G37 PolarHBondContact O-N 3.34Å; I33-I54 HydrophobicContact CD1-CG1 4.27Å; I33-I54 HydrophobicContact CG2-CD1 3.52Å; I33-I54 HydrophobicContact CG2-CG1 3.99Å |
| 34 | V | 61.8 | Low | 61.7 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 178.2 | 164.4 | 0 | 0 | 0 | 0 | 110.2 | V30 F31 I38 | V30-V34 HydrophobicContact CG1-CG2 3.89Å; V30-V34 VanDerWaalsContact O-CB 3.25Å; V30-V34 WeakPolarHBondContact O-CB 3.49Å; V30-V34 WeakPolarHBondContact O-CG2 3.3Å; V30-V34 PolarHBondContact O-N 2.93Å; F31-V34 PolarHBondContact O-N 3.48Å; V34-I38 HydrophobicContact CB-CD1 3.75Å; V34-I38 HydrophobicContact CG1-CD1 3.46Å; V34-I38 VanDerWaalsContact CG1-CD1 3.46Å; V34-I38 HydrophobicContact CG2-CD1 3.88Å; V34-I38 VanDerWaalsContact O-CB 3.31Å; V34-I38 WeakPolarHBondContact O-CB 3.22Å; V34-I38 WeakPolarHBondContact O-CD1 3.33Å; V34-I38 WeakPolarHBondContact O-CG1 3.26Å; V34-I38 PolarHBondContact O-N 3.15Å |
| 35 | V | 63.6 | Low | 60.7 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.2 | -39.4 | -176.9 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | F31 | F31-V35 HydrophobicContact CD1-CG2 4.07Å; F31-V35 HydrophobicContact CD2-CG2 4.27Å; F31-V35 HydrophobicContact CE1-CG2 3.79Å; F31-V35 HydrophobicContact CE2-CG2 4Å; F31-V35 HydrophobicContact CG-CG2 4.31Å; F31-V35 HydrophobicContact CZ-CG2 3.75Å; F31-V35 VanDerWaalsContact O-CB 3.27Å; F31-V35 WeakPolarHBondContact O-CB 3.26Å; F31-V35 WeakPolarHBondContact O-CG2 3.4Å; F31-V35 PolarHBondContact O-N 2.9Å |
| 36 | L | 58.6 | Low | 60.1 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 70% | 0.696 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -93 | -29.7 | -178.1 | -62.4 | 168.6 | 0 | 0 | 0 | 113.1 | R32 | R32-L36 WeakPolarHBondContact O-CB 3.26Å; R32-L36 WeakPolarHBondContact O-CG 3.44Å; R32-L36 PolarHBondContact O-N 2.84Å |
| 37 | G | 60.4 | Low | 59.6 | Low | 16 Ų | 16 | 104.2 Ų | 104.2 | 17% | 0.165 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -91.9 | -44.8 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | I33 W39 D40 Y41 | I33-G37 WeakPolarHBondContact O-CA 3.35Å; I33-G37 PolarHBondContact O-N 3.34Å; G37-W39 PolarHBondContact O-N 3.41Å; G37-W39 VanDerWaalsContact O-N 3.09Å; G37-D40 PolarHBondContact O-N 2.98Å; G37-Y41 WeakPolarHBondContact O-CA 3.37Å; G37-Y41 WeakPolarHBondContact O-CB 3.3Å; G37-Y41 PolarHBondContact O-N 3.34Å |
| 38 | I | 56.4 | Low | 59.4 | Low | 97 Ų | 97 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.3 | -172.1 | -65.1 | 168.2 | 0 | 0 | 0 | 113.2 | V34 | V34-I38 HydrophobicContact CB-CD1 3.75Å; V34-I38 HydrophobicContact CG1-CD1 3.46Å; V34-I38 VanDerWaalsContact CG1-CD1 3.46Å; V34-I38 HydrophobicContact CG2-CD1 3.88Å; V34-I38 VanDerWaalsContact O-CB 3.31Å; V34-I38 WeakPolarHBondContact O-CB 3.22Å; V34-I38 WeakPolarHBondContact O-CD1 3.33Å; V34-I38 WeakPolarHBondContact O-CG1 3.26Å; V34-I38 PolarHBondContact O-N 3.15Å |
| 39 | W | 55.2 | Low | 58.6 | Low | 230 Ų | 230 | 108.2 Ų | 108.2 | 87% | 0.871 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -22.4 | 178.1 | -74.7 | 98.9 | 0 | 0 | 0 | 114 | G37 | G37-W39 PolarHBondContact O-N 3.41Å; G37-W39 VanDerWaalsContact O-N 3.09Å |
| 40 | D | 56.3 | Low | 58.5 | Low | 126 Ų | 126 | 109.4 Ų | 109.4 | 67% | 0.674 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -19.3 | 172.7 | -127.9 | 18.7 | 0 | 0 | 0 | 111.2 | G37 I42 | G37-D40 PolarHBondContact O-N 2.98Å; D40-I42 VanDerWaalsContact C-N 3.25Å; D40-I42 PolarHBondContact O-N 3.16Å |
| 41 | Y | 51.5 | Low | 58.2 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 38% | 0.376 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -21 | -39.8 | -179.5 | -143.6 | -67.1 | 0 | 0 | 0 | 120.5 | G37 E47 G51 | G37-Y41 WeakPolarHBondContact O-CA 3.37Å; G37-Y41 WeakPolarHBondContact O-CB 3.3Å; G37-Y41 PolarHBondContact O-N 3.34Å; Y41-E47 VanDerWaalsContact CA-CD 3.49Å; Y41-E47 WeakPolarHBondContact CA-OE1 3.13Å; Y41-E47 WeakPolarHBondContact CB-OE1 3.49Å; Y41-E47 HydrophobicContact CD2-CB 3.66Å; Y41-E47 HydrophobicContact CD2-CG 4.15Å; Y41-E47 WeakPolarHBondContact CD2-OE1 3.45Å; Y41-E47 HydrophobicContact CE2-CB 3.7Å; Y41-E47 WeakPolarHBondContact CE2-O 3.41Å; Y41-E47 HydrophobicContact CG-CB 4.32Å; Y41-E47 PolarHBondContact N-OE1 3.37Å; Y41-E47 PolarHBondContact OH-O 3.34Å; Y41-G51 VanDerWaalsContact OH-CA 3.32Å; Y41-G51 WeakPolarHBondContact OH-CA 3.32Å |
| 42 | I | 54.1 | Low | 58 | Low | 163 Ų | 163 | 102.9 Ų | 102.9 | 84% | 0.836 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -7.4 | -145.8 | -82.8 | 168 | 0 | 0 | 0 | 112 | D40 E47 | D40-I42 VanDerWaalsContact C-N 3.25Å; D40-I42 PolarHBondContact O-N 3.16Å; I42-E47 PolarHBondContact N-OE2 3.44Å |
| 43 | E | 57.3 | Low | 58 | Low | 184 Ų | 184 | 96.6 Ų | 96.6 | 86% | 0.86 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -118.2 | -16.5 | -165.8 | -156.9 | 159.6 | -171.3 | 0 | 0 | 114.9 | E47 | E43-E47 PolarHBondContact N-OE2 3.23Š|
| 44 | N | 56.4 | Low | 58.1 | Low | 104 Ų | 104 | 96.6 Ų | 96.6 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | trans | -135.6 | 137 | -166.5 | -145.8 | 10.5 | 0 | 0 | 0 | 117.1 | V46 E47 | N44-V46 HydrophobicContact CB-CG2 4.31Å; N44-V46 VanDerWaalsContact ND2-CG2 3.27Å; N44-V46 WeakPolarHBondContact ND2-CG2 3.49Å; N44-V46 PolarHBondContact O-N 3Å; N44-V46 VanDerWaalsContact O-N 3.1Å; N44-E47 HydrophobicContact CB-CG 4.37Å; N44-E47 PolarHBondContact N-OE2 3.46Å; N44-E47 VanDerWaalsContact N-OE2 3.12Å; N44-E47 WeakPolarHBondContact O-CB 3.28Å; N44-E47 WeakPolarHBondContact O-CG 3.4Å; N44-E47 PolarHBondContact O-N 3.36Å | ||
| 45 | K | 51.2 | Low | 58.2 | Low | 190 Ų | 190 | 98 Ų | 98 | 83% | 0.826 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.1 | -178.5 | -79.9 | -177.5 | 179.5 | -74.1 | 0 | 114.7 | E47 V48 | K45-E47 PolarHBondContact O-N 3.11Å; K45-V48 PolarHBondContact O-N 3.16Å |
| 46 | V | 54.1 | Low | 58.4 | Low | 101 Ų | 101 | 98.8 Ų | 98.8 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -22.3 | 176 | -126.2 | 0 | 0 | 0 | 0 | 111.8 | N44 F49 D50 | N44-V46 HydrophobicContact CB-CG2 4.31Å; N44-V46 VanDerWaalsContact ND2-CG2 3.27Å; N44-V46 WeakPolarHBondContact ND2-CG2 3.49Å; N44-V46 PolarHBondContact O-N 3Å; N44-V46 VanDerWaalsContact O-N 3.1Å; V46-F49 WeakPolarHBondContact O-CB 3.26Å; V46-F49 PolarHBondContact O-N 3.1Å; V46-D50 PolarHBondContact O-N 2.96Å |
| 47 | E | 57.3 | Low | 58.7 | Low | 24 Ų | 24 | 92.5 Ų | 92.5 | 11% | 0.112 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -72.7 | -27.8 | 176.8 | -63.9 | -169.5 | 94.3 | 0 | 0 | 113.7 | Y41 I42 E43 N44 K45 F49 D50 G51 | Y41-E47 VanDerWaalsContact CA-CD 3.49Å; Y41-E47 WeakPolarHBondContact CA-OE1 3.13Å; Y41-E47 WeakPolarHBondContact CB-OE1 3.49Å; Y41-E47 HydrophobicContact CD2-CB 3.66Å; Y41-E47 HydrophobicContact CD2-CG 4.15Å; Y41-E47 WeakPolarHBondContact CD2-OE1 3.45Å; Y41-E47 HydrophobicContact CE2-CB 3.7Å; Y41-E47 WeakPolarHBondContact CE2-O 3.41Å; Y41-E47 HydrophobicContact CG-CB 4.32Å; Y41-E47 PolarHBondContact N-OE1 3.37Å; Y41-E47 PolarHBondContact OH-O 3.34Å; I42-E47 PolarHBondContact N-OE2 3.44Å; E43-E47 PolarHBondContact N-OE2 3.23Å; N44-E47 HydrophobicContact CB-CG 4.37Å; N44-E47 PolarHBondContact N-OE2 3.46Å; N44-E47 VanDerWaalsContact N-OE2 3.12Å; N44-E47 WeakPolarHBondContact O-CB 3.28Å; N44-E47 WeakPolarHBondContact O-CG 3.4Å; N44-E47 PolarHBondContact O-N 3.36Å; K45-E47 PolarHBondContact O-N 3.11Å; E47-F49 PolarHBondContact O-N 3.24Å; E47-D50 CarbonylContact O-C 3.52Å; E47-D50 WeakPolarHBondContact O-CA 3.36Å; E47-D50 PolarHBondContact O-N 3.07Å; E47-G51 PolarHBondContact O-N 3.43Å |
| 48 | V | 57.1 | Low | 58.9 | Low | 103 Ų | 103 | 95 Ų | 95 | 62% | 0.624 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.7 | -33.5 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | K45 A52 | K45-V48 PolarHBondContact O-N 3.16Å; V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 3.31Å |
| 49 | F | 54.2 | Low | 59.3 | Low | 140 Ų | 140 | 92.7 Ų | 92.7 | 61% | 0.614 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -72.4 | -35.3 | 175 | -151.3 | -89.9 | 0 | 0 | 0 | 111.9 | V46 E47 A52 V53 | V46-F49 WeakPolarHBondContact O-CB 3.26Å; V46-F49 PolarHBondContact O-N 3.1Å; E47-F49 PolarHBondContact O-N 3.24Å; F49-A52 PolarHBondContact O-N 3.38Å; F49-V53 HydrophobicContact CD1-CG2 4.32Å; F49-V53 HydrophobicContact CE1-CG2 4.5Å; F49-V53 WeakPolarHBondContact O-CB 3.49Å; F49-V53 WeakPolarHBondContact O-CG2 3.33Å; F49-V53 PolarHBondContact O-N 3.08Å |
| 50 | D | 63.3 | Low | 59.4 | Low | 62 Ų | 62 | 83 Ų | 83 | 33% | 0.332 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -70.5 | -37.5 | 173.3 | -157.7 | 48.7 | 0 | 0 | 0 | 112 | V46 E47 A52 V53 I54 R90 | V46-D50 PolarHBondContact O-N 2.96Å; E47-D50 CarbonylContact O-C 3.52Å; E47-D50 WeakPolarHBondContact O-CA 3.36Å; E47-D50 PolarHBondContact O-N 3.07Å; D50-A52 PolarHBondContact O-N 3.18Å; D50-V53 CarbonylContact O-C 3.53Å; D50-V53 WeakPolarHBondContact O-CA 3.48Å; D50-V53 WeakPolarHBondContact O-CB 3.18Å; D50-V53 PolarHBondContact O-N 3.41Å; D50-V53 VanDerWaalsContact O-N 3.1Å; D50-I54 WeakPolarHBondContact O-CD1 3.47Å; D50-I54 WeakPolarHBondContact O-CG1 3.49Å; D50-I54 PolarHBondContact O-N 2.92Å; D50-R90 IonicContact OD1-NH2 2.78Å; D50-R90 PolarHBondContact OD1-NH2 2.89Å |
| 51 | G | 61.5 | Low | 59.7 | Low | 9 Ų | 9 | 78.1 Ų | 78.1 | 9% | 0.093 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y41 E47 V53 I54 V55 | Y41-G51 VanDerWaalsContact OH-CA 3.32Å; Y41-G51 WeakPolarHBondContact OH-CA 3.32Å; E47-G51 PolarHBondContact O-N 3.43Å; G51-V53 VanDerWaalsContact C-N 3.25Å; G51-V53 PolarHBondContact O-N 2.98Å; G51-I54 WeakPolarHBondContact O-CB 3.34Å; G51-I54 PolarHBondContact O-N 2.86Å; G51-V55 WeakPolarHBondContact O-CB 3.28Å; G51-V55 VanDerWaalsContact O-CG2 3.23Å; G51-V55 WeakPolarHBondContact O-CG2 3.42Å; G51-V55 PolarHBondContact O-N 3.21Å |
| 52 | A | 59 | Low | 60.3 | Low | 53 Ų | 53 | 76.7 Ų | 76.7 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V48 F49 D50 V55 L56 | V48-A52 WeakPolarHBondContact O-CB 3.41Å; V48-A52 PolarHBondContact O-N 3.31Å; F49-A52 PolarHBondContact O-N 3.38Å; D50-A52 PolarHBondContact O-N 3.18Å; A52-V55 PolarHBondContact O-N 3.37Å; A52-L56 WeakPolarHBondContact O-CB 3.14Å; A52-L56 PolarHBondContact O-N 2.97Å |
| 53 | V | 65.1 | Low | 60.7 | Low | 14 Ų | 14 | 71.4 Ų | 71.4 | 9% | 0.085 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 175.4 | 163.5 | 0 | 0 | 0 | 0 | 111.4 | F49 D50 G51 S57 R90 | F49-V53 HydrophobicContact CD1-CG2 4.32Å; F49-V53 HydrophobicContact CE1-CG2 4.5Å; F49-V53 WeakPolarHBondContact O-CB 3.49Å; F49-V53 WeakPolarHBondContact O-CG2 3.33Å; F49-V53 PolarHBondContact O-N 3.08Å; D50-V53 CarbonylContact O-C 3.53Å; D50-V53 WeakPolarHBondContact O-CA 3.48Å; D50-V53 WeakPolarHBondContact O-CB 3.18Å; D50-V53 PolarHBondContact O-N 3.41Å; D50-V53 VanDerWaalsContact O-N 3.1Å; G51-V53 VanDerWaalsContact C-N 3.25Å; G51-V53 PolarHBondContact O-N 2.98Å; V53-S57 WeakPolarHBondContact O-CB 3.49Å; V53-S57 PolarHBondContact O-N 3.24Å; V53-S57 PolarHBondContact O-OG 3.42Å; V53-R90 HydrophobicContact CG1-CB 4.34Å; V53-R90 HydrophobicContact CG1-CG 3.89Å; V53-R90 HydrophobicContact CG2-CG 4.47Å |
| 54 | I | 65.8 | Low | 60.7 | Low | 46 Ų | 46 | 64.8 Ų | 64.8 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 172.3 | -66.9 | 161.2 | 0 | 0 | 0 | 109.8 | I33 D50 G51 S57 L58 | I33-I54 HydrophobicContact CD1-CG1 4.27Å; I33-I54 HydrophobicContact CG2-CD1 3.52Å; I33-I54 HydrophobicContact CG2-CG1 3.99Å; D50-I54 WeakPolarHBondContact O-CD1 3.47Å; D50-I54 WeakPolarHBondContact O-CG1 3.49Å; D50-I54 PolarHBondContact O-N 2.92Å; G51-I54 WeakPolarHBondContact O-CB 3.34Å; G51-I54 PolarHBondContact O-N 2.86Å; I54-S57 WeakPolarHBondContact CA-OG 3.32Å; I54-S57 CarbonylContact O-C 3.54Å; I54-S57 PolarHBondContact O-N 3.42Å; I54-S57 PolarHBondContact O-OG 2.94Å; I54-L58 WeakPolarHBondContact O-CB 3.17Å; I54-L58 PolarHBondContact O-N 3.1Å |
| 55 | V | 63.9 | Low | 60.7 | Low | 93 Ų | 93 | 64.9 Ų | 64.9 | 56% | 0.564 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67 | -47 | 179.5 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | G51 A52 S57 L58 A59 | G51-V55 WeakPolarHBondContact O-CB 3.28Å; G51-V55 VanDerWaalsContact O-CG2 3.23Å; G51-V55 WeakPolarHBondContact O-CG2 3.42Å; G51-V55 PolarHBondContact O-N 3.21Å; A52-V55 PolarHBondContact O-N 3.37Å; V55-S57 PolarHBondContact O-N 2.97Å; V55-L58 PolarHBondContact O-N 3.42Å; V55-L58 VanDerWaalsContact O-N 3.13Å; V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.35Å |
| 56 | L | 66.8 | Low | 61 | Low | 90 Ų | 90 | 61.4 Ų | 61.4 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.1 | -26.6 | 177.5 | -173.4 | 58.9 | 0 | 0 | 0 | 111.8 | A52 P60 W86 | A52-L56 WeakPolarHBondContact O-CB 3.14Å; A52-L56 PolarHBondContact O-N 2.97Å; L56-P60 WeakPolarHBondContact O-CD 3.42Å; L56-W86 HydrophobicContact CD2-CD2 4.44Å; L56-W86 HydrophobicContact CD2-CH2 4.24Å; L56-W86 HydrophobicContact CD2-CZ2 3.47Å; L56-W86 VanDerWaalsContact CD2-CZ2 3.47Å |
| 57 | S | 66.3 | Low | 61 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -89.1 | -17 | 176.2 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | V53 I54 V55 M61 L83 R87 | V53-S57 WeakPolarHBondContact O-CB 3.49Å; V53-S57 PolarHBondContact O-N 3.24Å; V53-S57 PolarHBondContact O-OG 3.42Å; I54-S57 WeakPolarHBondContact CA-OG 3.32Å; I54-S57 CarbonylContact O-C 3.54Å; I54-S57 PolarHBondContact O-N 3.42Å; I54-S57 PolarHBondContact O-OG 2.94Å; V55-S57 PolarHBondContact O-N 2.97Å; S57-M61 WeakPolarHBondContact O-CE 3.42Å; S57-L83 WeakPolarHBondContact O-CD1 3.43Å; S57-R87 PolarHBondContact O-NH2 3.32Å; S57-R87 PolarHBondContact OG-NH1 3.49Å; S57-R87 PolarHBondContact OG-NH2 3.36Å |
| 58 | L | 64.9 | Low | 60.8 | Low | 68 Ų | 68 | 66.1 Ų | 66.1 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -84.1 | -37.7 | 172.5 | -177.7 | 67.6 | 0 | 0 | 0 | 112 | F26 I54 V55 M61 V62 | F26-L58 HydrophobicContact CE2-CD1 3.87Å; F26-L58 HydrophobicContact CZ-CD1 4.04Å; I54-L58 WeakPolarHBondContact O-CB 3.17Å; I54-L58 PolarHBondContact O-N 3.1Å; V55-L58 PolarHBondContact O-N 3.42Å; V55-L58 VanDerWaalsContact O-N 3.13Å; L58-M61 HydrophobicContact CD1-CE 4.07Å; L58-M61 PolarHBondContact O-N 3.31Å; L58-V62 HydrophobicContact CD1-CG2 4.06Å; L58-V62 HydrophobicContact CG-CG2 3.96Å; L58-V62 PolarHBondContact O-N 3.39Å |
| 59 | A | 64.1 | Low | 60.7 | Low | 49 Ų | 49 | 63.5 Ų | 63.5 | 41% | 0.405 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56 | -43.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V55 M61 V62 A63 | V55-A59 WeakPolarHBondContact O-CB 3.5Å; V55-A59 PolarHBondContact O-N 3.35Å; A59-M61 PolarHBondContact O-N 3.43Å; A59-V62 PolarHBondContact O-N 3.39Å; A59-A63 WeakPolarHBondContact O-CB 3.27Å; A59-A63 PolarHBondContact O-N 3.05Å |
| 60 | P | 57.9 | Low | 60.7 | Low | 26 Ų | 26 | 58.9 Ų | 58.9 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.5 | -24.9 | 176.8 | -25.4 | 39.1 | 0 | 0 | 0 | 114.9 | L56 S64 L83 | L56-P60 WeakPolarHBondContact O-CD 3.42Å; P60-S64 VanDerWaalsContact O-CB 3.31Å; P60-S64 WeakPolarHBondContact O-CB 2.84Å; P60-S64 PolarHBondContact O-N 3.1Å; P60-S64 VanDerWaalsContact O-N 3.08Å; P60-S64 PolarHBondContact O-OG 3.18Å; P60-L83 HydrophobicContact CB-CB 4.22Å; P60-L83 HydrophobicContact CB-CD1 3.78Å; P60-L83 HydrophobicContact CB-CD2 4.23Å; P60-L83 HydrophobicContact CB-CG 4.27Å; P60-L83 HydrophobicContact CG-CB 4.3Å; P60-L83 HydrophobicContact CG-CD1 3.4Å; P60-L83 HydrophobicContact CG-CG 4.3Å |
| 61 | M | 62.3 | Low | 60.5 | Low | 24 Ų | 24 | 62.6 Ų | 62.6 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -74 | -38.4 | 174.4 | -66.1 | -178.1 | -58.3 | 0 | 0 | 111.2 | F26 S57 L58 A59 T65 L83 | F26-M61 HydrophobicContact CB-SD 3.99Å; F26-M61 HydrophobicContact CD2-CE 3.11Å; F26-M61 HydrophobicContact CD2-SD 3.23Å; F26-M61 WeakPolarHBondContact CD2-SD 3.46Å; F26-M61 HydrophobicContact CE2-CE 3.17Å; F26-M61 HydrophobicContact CE2-SD 3.89Å; F26-M61 HydrophobicContact CG-CE 4.24Å; F26-M61 HydrophobicContact CG-SD 3.84Å; F26-M61 HydrophobicContact CZ-CE 4.34Å; S57-M61 WeakPolarHBondContact O-CE 3.42Å; L58-M61 HydrophobicContact CD1-CE 4.07Å; L58-M61 PolarHBondContact O-N 3.31Å; A59-M61 PolarHBondContact O-N 3.43Å; M61-T65 WeakPolarHBondContact O-CG2 3.07Å; M61-T65 PolarHBondContact O-N 3.42Å; M61-T65 PolarHBondContact O-OG1 3.31Å; M61-L83 HydrophobicContact CG-CD2 4.26Å |
| 62 | V | 62.7 | Low | 60.5 | Low | 67 Ų | 67 | 64.4 Ų | 64.4 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73.5 | -41.8 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | L58 A59 S64 T65 V66 | L58-V62 HydrophobicContact CD1-CG2 4.06Å; L58-V62 HydrophobicContact CG-CG2 3.96Å; L58-V62 PolarHBondContact O-N 3.39Å; A59-V62 PolarHBondContact O-N 3.39Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 2.68Å; V62-T65 WeakPolarHBondContact CA-OG1 3.31Å; V62-T65 PolarHBondContact O-N 3.05Å; V62-T65 VanDerWaalsContact O-N 3.16Å; V62-T65 PolarHBondContact O-OG1 3.33Å; V62-T65 VanDerWaalsContact O-OG1 3.04Å; V62-V66 HydrophobicContact CG1-CG2 3.99Å; V62-V66 WeakPolarHBondContact O-CB 2.73Å; V62-V66 PolarHBondContact O-N 2.9Å |
| 63 | A | 63.2 | Low | 60.7 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A59 T65 A67 | A59-A63 WeakPolarHBondContact O-CB 3.27Å; A59-A63 PolarHBondContact O-N 3.05Å; A63-T65 VanDerWaalsContact C-N 3.28Å; A63-T65 PolarHBondContact O-N 2.87Å; A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 3.34Å |
| 64 | S | 57.8 | Low | 60.6 | Low | 46 Ų | 46 | 75.9 Ų | 75.9 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.5 | -15.8 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 114 | P60 V62 | P60-S64 VanDerWaalsContact O-CB 3.31Å; P60-S64 WeakPolarHBondContact O-CB 2.84Å; P60-S64 PolarHBondContact O-N 3.1Å; P60-S64 VanDerWaalsContact O-N 3.08Å; P60-S64 PolarHBondContact O-OG 3.18Å; V62-S64 VanDerWaalsContact C-N 3.32Å; V62-S64 PolarHBondContact O-N 2.68Å |
| 65 | T | 57.3 | Low | 60.7 | Low | 106 Ų | 106 | 78 Ų | 78 | 65% | 0.65 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -106.7 | -32.8 | -177.2 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | M61 V62 A63 | M61-T65 WeakPolarHBondContact O-CG2 3.07Å; M61-T65 PolarHBondContact O-N 3.42Å; M61-T65 PolarHBondContact O-OG1 3.31Å; V62-T65 WeakPolarHBondContact CA-OG1 3.31Å; V62-T65 PolarHBondContact O-N 3.05Å; V62-T65 VanDerWaalsContact O-N 3.16Å; V62-T65 PolarHBondContact O-OG1 3.33Å; V62-T65 VanDerWaalsContact O-OG1 3.04Å; A63-T65 VanDerWaalsContact C-N 3.28Å; A63-T65 PolarHBondContact O-N 2.87Å |
| 66 | V | 57.4 | Low | 60.9 | Low | 117 Ų | 117 | 74.5 Ų | 74.5 | 71% | 0.709 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -88.8 | -34.1 | -180 | 164 | 0 | 0 | 0 | 0 | 112.4 | V62 | V62-V66 HydrophobicContact CG1-CG2 3.99Å; V62-V66 WeakPolarHBondContact O-CB 2.73Å; V62-V66 PolarHBondContact O-N 2.9Å |
| 67 | A | 54.1 | Low | 61 | Low | 49 Ų | 49 | 74.7 Ų | 74.7 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -82.8 | 123.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | A63 G69 | A63-A67 VanDerWaalsContact O-CB 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 3.34Å; A67-G69 PolarHBondContact O-N 3.46Å |
| 68 | N | 52.8 | Low | 61.2 | Low | 175 Ų | 175 | 76 Ų | 76 | 94% | 0.936 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -61.8 | 73.5 | 152.6 | -70 | -56.3 | 0 | 0 | 0 | 108.4 | ||
| 69 | G | 53.8 | Low | 61.4 | Low | 47 Ų | 47 | 76.3 Ų | 76.3 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | trans | 64.7 | 138 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A67 | A67-G69 PolarHBondContact O-N 3.46Š| ||
| 70 | P | 54.4 | Low | 61.7 | Low | 44 Ų | 44 | 76.4 Ų | 76.4 | 29% | 0.286 | 46% | 0.463 | S | S | . | . | trans | -51.1 | 142.9 | 136 | -11.1 | 26.2 | 0 | 0 | 0 | 106.9 | S72 D75 A76 | P70-S72 CarbonylContact O-C 3.54Å; P70-S72 PolarHBondContact O-N 2.9Å; P70-D75 HydrophobicContact CB-CB 4.01Å; P70-D75 HydrophobicContact CG-CB 4.36Å; P70-A76 HydrophobicContact CG-CB 4.31Å | ||
| 71 | S | 60 | Low | 62.5 | Low | 139 Ų | 139 | 79.7 Ų | 79.7 | 97% | 0.972 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -56 | -0.3 | -174.4 | 45.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 72 | S | 60.5 | Low | 62.8 | Low | 47 Ų | 47 | 82.1 Ų | 82.1 | 33% | 0.329 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -136.7 | 123.4 | 171.5 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | P70 W74 D75 | P70-S72 CarbonylContact O-C 3.54Å; P70-S72 PolarHBondContact O-N 2.9Å; S72-W74 PolarHBondContact O-N 3.1Å; S72-D75 PolarHBondContact O-N 3.3Å |
| 73 | P | 63 | Low | 63.1 | Low | 103 Ų | 103 | 79.6 Ų | 79.6 | 67% | 0.669 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -52.5 | -23.7 | 173.7 | -25.7 | 33 | 0 | 0 | 0 | 114.2 | D75 I77 | P73-D75 VanDerWaalsContact C-N 3.33Å; P73-I77 PolarHBondContact O-N 3.41Å; P73-I77 VanDerWaalsContact O-N 3.13Å |
| 74 | W | 63.7 | Low | 63.7 | Low | 205 Ų | 205 | 81.5 Ų | 81.5 | 78% | 0.777 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.3 | -30.3 | 178.1 | -65 | 99.9 | 0 | 0 | 0 | 113.4 | S72 I77 G78 | S72-W74 PolarHBondContact O-N 3.1Å; W74-I77 WeakPolarHBondContact O-CG2 3.44Å; W74-G78 PolarHBondContact O-N 3.2Å; W74-G78 VanDerWaalsContact O-N 3.09Å |
| 75 | D | 67.1 | Low | 64.6 | Low | 91 Ų | 91 | 84.8 Ų | 84.8 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78.2 | -38.9 | 179.4 | -166.2 | 35.6 | 0 | 0 | 0 | 111 | P70 S72 P73 I77 G78 L79 | P70-D75 HydrophobicContact CB-CB 4.01Å; P70-D75 HydrophobicContact CG-CB 4.36Å; S72-D75 PolarHBondContact O-N 3.3Å; P73-D75 VanDerWaalsContact C-N 3.33Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.34Å; D75-G78 PolarHBondContact O-N 3.23Å; D75-L79 WeakPolarHBondContact O-CB 3.12Å; D75-L79 VanDerWaalsContact O-CG 3.26Å; D75-L79 WeakPolarHBondContact O-CG 3.48Å; D75-L79 PolarHBondContact O-N 3.24Å |
| 76 | A | 68 | Low | 65.5 | Low | 20 Ų | 20 | 84.1 Ų | 84.1 | 17% | 0.165 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P70 G78 L79 I80 | P70-A76 HydrophobicContact CG-CB 4.31Å; A76-G78 VanDerWaalsContact C-N 3.35Å; A76-G78 PolarHBondContact O-N 2.87Å; A76-L79 PolarHBondContact O-N 2.92Å; A76-I80 WeakPolarHBondContact O-CD1 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3.37Å; A76-I80 PolarHBondContact O-N 2.92Å |
| 77 | I | 70.6 | Confident | 66.2 | Low | 93 Ų | 93 | 80.6 Ų | 80.6 | 48% | 0.477 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.7 | -124 | 75.4 | 0 | 0 | 0 | 111.3 | P73 W74 D75 I80 I81 | P73-I77 PolarHBondContact O-N 3.41Å; P73-I77 VanDerWaalsContact O-N 3.13Å; W74-I77 WeakPolarHBondContact O-CG2 3.44Å; D75-I77 VanDerWaalsContact C-N 3.34Å; D75-I77 PolarHBondContact O-N 3.34Å; I77-I80 PolarHBondContact O-N 3.49Å; I77-I81 HydrophobicContact CG2-CD1 4.37Å; I77-I81 WeakPolarHBondContact O-CG1 3.16Å; I77-I81 PolarHBondContact O-N 3.42Å |
| 78 | G | 69.6 | Low | 67.3 | Low | 28 Ų | 28 | 82.2 Ų | 82.2 | 29% | 0.289 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -39.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W74 D75 A76 I81 S82 | W74-G78 PolarHBondContact O-N 3.2Å; W74-G78 VanDerWaalsContact O-N 3.09Å; D75-G78 PolarHBondContact O-N 3.23Å; A76-G78 VanDerWaalsContact C-N 3.35Å; A76-G78 PolarHBondContact O-N 2.87Å; G78-I81 PolarHBondContact O-N 3.11Å; G78-S82 VanDerWaalsContact O-CB 3.31Å; G78-S82 WeakPolarHBondContact O-CB 3.32Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.37Å |
| 79 | L | 68.6 | Low | 68.4 | Low | 75 Ų | 75 | 78.6 Ų | 78.6 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 175.2 | -72 | 169.8 | 0 | 0 | 0 | 112 | D75 A76 L83 | D75-L79 WeakPolarHBondContact O-CB 3.12Å; D75-L79 VanDerWaalsContact O-CG 3.26Å; D75-L79 WeakPolarHBondContact O-CG 3.48Å; D75-L79 PolarHBondContact O-N 3.24Å; A76-L79 PolarHBondContact O-N 2.92Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 PolarHBondContact O-N 3.18Å |
| 80 | I | 70.7 | Confident | 69.4 | Low | 51 Ų | 51 | 78.9 Ų | 78.9 | 26% | 0.262 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.8 | -68.6 | 164.2 | 0 | 0 | 0 | 110.8 | A76 I77 R84 | A76-I80 WeakPolarHBondContact O-CD1 3.29Å; A76-I80 WeakPolarHBondContact O-CG1 3.37Å; A76-I80 PolarHBondContact O-N 2.92Å; I77-I80 PolarHBondContact O-N 3.49Å; I80-R84 WeakPolarHBondContact O-CG 3.42Å; I80-R84 PolarHBondContact O-N 3.39Å |
| 81 | I | 75.3 | Confident | 70.4 | Confident | 95 Ų | 95 | 81.2 Ų | 81.2 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 179.1 | -66.9 | 164.7 | 0 | 0 | 0 | 110.7 | I77 G78 L83 R84 I85 | I77-I81 HydrophobicContact CG2-CD1 4.37Å; I77-I81 WeakPolarHBondContact O-CG1 3.16Å; I77-I81 PolarHBondContact O-N 3.42Å; G78-I81 PolarHBondContact O-N 3.11Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 2.96Å; I81-R84 WeakPolarHBondContact O-CB 3.45Å; I81-R84 PolarHBondContact O-N 3.01Å; I81-R84 VanDerWaalsContact O-N 3.12Å; I81-I85 HydrophobicContact CG2-CD1 3.98Å; I81-I85 WeakPolarHBondContact O-CG1 3.4Å; I81-I85 PolarHBondContact O-N 3.37Å |
| 82 | S | 68.1 | Low | 71.3 | Confident | 75 Ų | 75 | 79 Ų | 79 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | G78 R84 I85 W86 | G78-S82 VanDerWaalsContact O-CB 3.31Å; G78-S82 WeakPolarHBondContact O-CB 3.32Å; G78-S82 PolarHBondContact O-N 3.49Å; G78-S82 PolarHBondContact O-OG 3.37Å; S82-R84 PolarHBondContact O-N 3.42Å; S82-I85 PolarHBondContact O-N 2.83Å; S82-W86 WeakPolarHBondContact O-CB 2.88Å; S82-W86 PolarHBondContact O-N 2.89Å |
| 83 | L | 69 | Low | 71.7 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.9 | -44 | 172.5 | 175.7 | 91.7 | 0 | 0 | 0 | 111.7 | S57 P60 M61 L79 I81 I85 W86 R87 | S57-L83 WeakPolarHBondContact O-CD1 3.43Å; P60-L83 HydrophobicContact CB-CB 4.22Å; P60-L83 HydrophobicContact CB-CD1 3.78Å; P60-L83 HydrophobicContact CB-CD2 4.23Å; P60-L83 HydrophobicContact CB-CG 4.27Å; P60-L83 HydrophobicContact CG-CB 4.3Å; P60-L83 HydrophobicContact CG-CD1 3.4Å; P60-L83 HydrophobicContact CG-CG 4.3Å; M61-L83 HydrophobicContact CG-CD2 4.26Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 PolarHBondContact O-N 3.18Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 2.96Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 3.22Å; L83-W86 WeakPolarHBondContact O-CB 3.18Å; L83-W86 PolarHBondContact O-N 2.73Å; L83-R87 PolarHBondContact O-N 3.5Å |
| 84 | R | 75.1 | Confident | 72.1 | Confident | 91 Ų | 91 | 77.4 Ų | 77.4 | 34% | 0.343 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | -179.6 | -73.7 | -72.3 | -171.1 | 174.1 | 5.8 | 111.1 | I80 I81 S82 W86 R87 V88 | I80-R84 WeakPolarHBondContact O-CG 3.42Å; I80-R84 PolarHBondContact O-N 3.39Å; I81-R84 WeakPolarHBondContact O-CB 3.45Å; I81-R84 PolarHBondContact O-N 3.01Å; I81-R84 VanDerWaalsContact O-N 3.12Å; S82-R84 PolarHBondContact O-N 3.42Å; R84-W86 VanDerWaalsContact C-N 3.33Å; R84-R87 PolarHBondContact O-N 3.38Å; R84-V88 WeakPolarHBondContact O-CG2 3.42Å; R84-V88 PolarHBondContact O-N 3.48Å; R84-V88 VanDerWaalsContact O-N 3.07Å |
| 85 | I | 76.6 | Confident | 72.6 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 59% | 0.585 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 175.2 | -64.5 | 166.5 | 0 | 0 | 0 | 110.6 | I81 S82 L83 R87 V88 K89 | I81-I85 HydrophobicContact CG2-CD1 3.98Å; I81-I85 WeakPolarHBondContact O-CG1 3.4Å; I81-I85 PolarHBondContact O-N 3.37Å; S82-I85 PolarHBondContact O-N 2.83Å; L83-I85 VanDerWaalsContact C-N 3.34Å; L83-I85 PolarHBondContact O-N 3.22Å; I85-R87 VanDerWaalsContact C-N 3.32Å; I85-R87 PolarHBondContact O-N 2.98Å; I85-V88 PolarHBondContact O-N 3.48Å; I85-K89 PolarHBondContact O-N 3.37Å |
| 86 | W | 76.6 | Confident | 73 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 175.3 | -179.5 | -100.2 | 0 | 0 | 0 | 112.6 | L56 S82 L83 R84 K89 R90 | L56-W86 HydrophobicContact CD2-CD2 4.44Å; L56-W86 HydrophobicContact CD2-CH2 4.24Å; L56-W86 HydrophobicContact CD2-CZ2 3.47Å; L56-W86 VanDerWaalsContact CD2-CZ2 3.47Å; S82-W86 WeakPolarHBondContact O-CB 2.88Å; S82-W86 PolarHBondContact O-N 2.89Å; L83-W86 WeakPolarHBondContact O-CB 3.18Å; L83-W86 PolarHBondContact O-N 2.73Å; R84-W86 VanDerWaalsContact C-N 3.33Å; W86-K89 HydrophobicContact CE3-CD 4.49Å; W86-K89 HydrophobicContact CZ3-CD 4.43Å; W86-K89 PolarHBondContact O-N 2.82Å; W86-R90 PolarHBondContact O-N 2.95Å; W86-R90 VanDerWaalsContact O-N 3.09Å |
| 87 | R | 73.1 | Confident | 73.2 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.9 | -80.9 | -145.5 | -175.6 | -87.4 | -0.5 | 112.4 | S57 L83 R84 I85 K89 R90 I91 | S57-R87 PolarHBondContact O-NH2 3.32Å; S57-R87 PolarHBondContact OG-NH1 3.49Å; S57-R87 PolarHBondContact OG-NH2 3.36Å; L83-R87 PolarHBondContact O-N 3.5Å; R84-R87 PolarHBondContact O-N 3.38Å; I85-R87 VanDerWaalsContact C-N 3.32Å; I85-R87 PolarHBondContact O-N 2.98Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3Å; R87-R90 PolarHBondContact O-N 3.38Å; R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.35Å |
| 88 | V | 77.6 | Confident | 73.3 | Confident | 84 Ų | 84 | 80 Ų | 80 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | R84 I85 R90 I91 I92 | R84-V88 WeakPolarHBondContact O-CG2 3.42Å; R84-V88 PolarHBondContact O-N 3.48Å; R84-V88 VanDerWaalsContact O-N 3.07Å; I85-V88 PolarHBondContact O-N 3.48Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 2.85Å; V88-I91 PolarHBondContact O-N 3.02Å; V88-I92 HydrophobicContact CG1-CD1 3.87Å; V88-I92 WeakPolarHBondContact O-CG1 3.27Å; V88-I92 PolarHBondContact O-N 3.17Å |
| 89 | K | 75.1 | Confident | 73.3 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.5 | -46.7 | 174.2 | 173.4 | -178.4 | 164.2 | 43 | 0 | 111.9 | I85 W86 R87 I92 D93 | I85-K89 PolarHBondContact O-N 3.37Å; W86-K89 HydrophobicContact CE3-CD 4.49Å; W86-K89 HydrophobicContact CZ3-CD 4.43Å; W86-K89 PolarHBondContact O-N 2.82Å; R87-K89 VanDerWaalsContact C-N 3.34Å; R87-K89 PolarHBondContact O-N 3Å; K89-I92 PolarHBondContact O-N 3.09Å; K89-D93 IonicContact NZ-OD1 3.07Å; K89-D93 IonicContact NZ-OD2 3.77Å; K89-D93 PolarHBondContact NZ-OD2 3.21Å; K89-D93 WeakPolarHBondContact O-CB 3.09Å; K89-D93 VanDerWaalsContact O-CG 3.29Å; K89-D93 PolarHBondContact O-N 3.44Å |
| 90 | R | 75.5 | Confident | 73.9 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.1 | -36.6 | -178.4 | -78.4 | -68.1 | -57.6 | 169.3 | -5.6 | 113.4 | D50 V53 W86 R87 V88 I92 D93 A94 | D50-R90 IonicContact OD1-NH2 2.78Å; D50-R90 PolarHBondContact OD1-NH2 2.89Å; V53-R90 HydrophobicContact CG1-CB 4.34Å; V53-R90 HydrophobicContact CG1-CG 3.89Å; V53-R90 HydrophobicContact CG2-CG 4.47Å; W86-R90 PolarHBondContact O-N 2.95Å; W86-R90 VanDerWaalsContact O-N 3.09Å; R87-R90 PolarHBondContact O-N 3.38Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 2.85Å; R90-I92 VanDerWaalsContact C-N 3.34Å; R90-D93 PolarHBondContact O-N 3.3Å; R90-A94 VanDerWaalsContact O-CB 3.31Å; R90-A94 WeakPolarHBondContact O-CB 3.38Å; R90-A94 PolarHBondContact O-N 3.12Å |
| 91 | I | 75 | Confident | 74.1 | Confident | 93 Ų | 93 | 86 Ų | 86 | 48% | 0.477 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 173.9 | -68.7 | 165.5 | 0 | 0 | 0 | 109.7 | R87 V88 A94 Y95 | R87-I91 VanDerWaalsContact O-CG1 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.44Å; R87-I91 PolarHBondContact O-N 3.35Å; V88-I91 PolarHBondContact O-N 3.02Å; I91-A94 PolarHBondContact O-N 3.42Å; I91-Y95 HydrophobicContact CG2-CD2 3.61Å; I91-Y95 HydrophobicContact CG2-CE2 3.47Å; I91-Y95 VanDerWaalsContact CG2-CE2 3.47Å; I91-Y95 WeakPolarHBondContact O-CD2 3.22Å; I91-Y95 PolarHBondContact O-N 2.94Å |
| 92 | I | 78.9 | Confident | 74 | Confident | 93 Ų | 93 | 86.8 Ų | 86.8 | 48% | 0.477 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 176.8 | -64.6 | 164.4 | 0 | 0 | 0 | 110.8 | V88 K89 R90 A94 Y95 V96 | V88-I92 HydrophobicContact CG1-CD1 3.87Å; V88-I92 WeakPolarHBondContact O-CG1 3.27Å; V88-I92 PolarHBondContact O-N 3.17Å; K89-I92 PolarHBondContact O-N 3.09Å; R90-I92 VanDerWaalsContact C-N 3.34Å; I92-A94 PolarHBondContact O-N 3.06Å; I92-Y95 PolarHBondContact O-N 3.28Å; I92-V96 HydrophobicContact CG2-CG2 4.17Å; I92-V96 WeakPolarHBondContact O-CB 3.07Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.25Å; I92-V96 PolarHBondContact O-N 2.91Å |
| 93 | D | 69.2 | Low | 74.1 | Confident | 63 Ų | 63 | 88.1 Ų | 88.1 | 34% | 0.337 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60 | -35.9 | 179.7 | -71 | -24.5 | 0 | 0 | 0 | 111.5 | K89 R90 L97 | K89-D93 IonicContact NZ-OD1 3.07Å; K89-D93 IonicContact NZ-OD2 3.77Å; K89-D93 PolarHBondContact NZ-OD2 3.21Å; K89-D93 WeakPolarHBondContact O-CB 3.09Å; K89-D93 VanDerWaalsContact O-CG 3.29Å; K89-D93 PolarHBondContact O-N 3.44Å; R90-D93 PolarHBondContact O-N 3.3Å; D93-L97 VanDerWaalsContact O-CB 3.31Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 3.49Å |
| 94 | A | 70.3 | Confident | 74.6 | Confident | 52 Ų | 52 | 91.9 Ų | 91.9 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.4 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R90 I91 I92 L97 Q98 | R90-A94 VanDerWaalsContact O-CB 3.31Å; R90-A94 WeakPolarHBondContact O-CB 3.38Å; R90-A94 PolarHBondContact O-N 3.12Å; I91-A94 PolarHBondContact O-N 3.42Å; I92-A94 PolarHBondContact O-N 3.06Å; A94-L97 PolarHBondContact O-N 3.07Å; A94-Q98 WeakPolarHBondContact O-CB 3.48Å; A94-Q98 PolarHBondContact O-N 3.46Å |
| 95 | Y | 74.4 | Confident | 74.8 | Confident | 147 Ų | 147 | 92 Ų | 92 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.1 | -43.6 | 176.2 | -83.7 | -66.7 | 0 | 0 | 0 | 112.1 | I91 I92 L97 Q98 V99 | I91-Y95 HydrophobicContact CG2-CD2 3.61Å; I91-Y95 HydrophobicContact CG2-CE2 3.47Å; I91-Y95 VanDerWaalsContact CG2-CE2 3.47Å; I91-Y95 WeakPolarHBondContact O-CD2 3.22Å; I91-Y95 PolarHBondContact O-N 2.94Å; I92-Y95 PolarHBondContact O-N 3.28Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 3.38Å; Y95-Q98 PolarHBondContact O-N 3.31Å; Y95-V99 WeakPolarHBondContact O-CB 3.19Å; Y95-V99 VanDerWaalsContact O-CG2 3.28Å; Y95-V99 WeakPolarHBondContact O-CG2 3.33Å; Y95-V99 PolarHBondContact O-N 2.69Å |
| 96 | V | 75.1 | Confident | 75 | Confident | 89 Ų | 89 | 91.1 Ų | 91.1 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | I92 K100 | I92-V96 HydrophobicContact CG2-CG2 4.17Å; I92-V96 WeakPolarHBondContact O-CB 3.07Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.25Å; I92-V96 PolarHBondContact O-N 2.91Å; V96-K100 VanDerWaalsContact O-CB 3.24Å; V96-K100 WeakPolarHBondContact O-CB 3.46Å; V96-K100 PolarHBondContact O-N 3.36Å |
| 97 | L | 73.2 | Confident | 75.4 | Confident | 108 Ų | 108 | 90.4 Ų | 90.4 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 176.9 | -173.1 | 65.4 | 0 | 0 | 0 | 111.6 | D93 A94 Y95 K100 V101 | D93-L97 VanDerWaalsContact O-CB 3.31Å; D93-L97 WeakPolarHBondContact O-CB 3.42Å; D93-L97 PolarHBondContact O-N 3.49Å; A94-L97 PolarHBondContact O-N 3.07Å; Y95-L97 VanDerWaalsContact C-N 3.32Å; Y95-L97 PolarHBondContact O-N 3.38Å; L97-K100 PolarHBondContact O-N 2.98Å; L97-V101 WeakPolarHBondContact O-CG2 3.24Å; L97-V101 PolarHBondContact O-N 3.49Å |
| 98 | Q | 72.2 | Confident | 75.7 | Confident | 120 Ų | 120 | 93.6 Ų | 93.6 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.6 | -50.8 | 176.4 | -176.6 | -179.9 | 6.1 | 0 | 0 | 111.5 | A94 Y95 K100 V101 E102 | A94-Q98 WeakPolarHBondContact O-CB 3.48Å; A94-Q98 PolarHBondContact O-N 3.46Å; Y95-Q98 PolarHBondContact O-N 3.31Å; Q98-K100 VanDerWaalsContact C-N 3.28Å; Q98-K100 PolarHBondContact O-N 3.28Å; Q98-V101 PolarHBondContact O-N 3.45Å; Q98-E102 PolarHBondContact O-N 3.28Å |
| 99 | V | 70.9 | Confident | 75.8 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | Y95 E102 M103 | Y95-V99 WeakPolarHBondContact O-CB 3.19Å; Y95-V99 VanDerWaalsContact O-CG2 3.28Å; Y95-V99 WeakPolarHBondContact O-CG2 3.33Å; Y95-V99 PolarHBondContact O-N 2.69Å; V99-E102 PolarHBondContact O-N 3.35Å; V99-M103 VanDerWaalsContact O-CB 3.28Å; V99-M103 WeakPolarHBondContact O-CB 3.48Å; V99-M103 PolarHBondContact O-N 3.04Å |
| 100 | K | 80.1 | Confident | 75.9 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.7 | -179.1 | 176.4 | 173.3 | -179 | 0 | 111.9 | V96 L97 Q98 M103 E104 | V96-K100 VanDerWaalsContact O-CB 3.24Å; V96-K100 WeakPolarHBondContact O-CB 3.46Å; V96-K100 PolarHBondContact O-N 3.36Å; L97-K100 PolarHBondContact O-N 2.98Å; Q98-K100 VanDerWaalsContact C-N 3.28Å; Q98-K100 PolarHBondContact O-N 3.28Å; K100-M103 PolarHBondContact O-N 2.91Å; K100-E104 WeakPolarHBondContact CE-OE1 3.31Å; K100-E104 IonicContact NZ-OE1 3.9Å; K100-E104 WeakPolarHBondContact O-CB 3.44Å; K100-E104 VanDerWaalsContact O-CG 3.29Å; K100-E104 WeakPolarHBondContact O-CG 3.14Å; K100-E104 PolarHBondContact O-N 3.4Å |
| 101 | V | 74.6 | Confident | 76.4 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 179.2 | 172.4 | 0 | 0 | 0 | 0 | 111.2 | L97 Q98 E104 L105 | L97-V101 WeakPolarHBondContact O-CG2 3.24Å; L97-V101 PolarHBondContact O-N 3.49Å; Q98-V101 PolarHBondContact O-N 3.45Å; V101-E104 PolarHBondContact O-N 2.86Å; V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 PolarHBondContact O-N 2.89Å |
| 102 | E | 74.4 | Confident | 76.9 | Confident | 113 Ų | 113 | 104.7 Ų | 104.7 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -47 | 175.9 | -172.5 | 169 | -161.7 | 0 | 0 | 111.3 | Q98 V99 E104 L105 E106 | Q98-E102 PolarHBondContact O-N 3.28Å; V99-E102 PolarHBondContact O-N 3.35Å; E102-E104 PolarHBondContact O-N 3.49Å; E102-L105 WeakPolarHBondContact O-CB 3.2Å; E102-L105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CG 3.45Å; E102-E106 PolarHBondContact O-N 3.02Å |
| 103 | M | 68.8 | Low | 77.3 | Confident | 102 Ų | 102 | 103 Ų | 103 | 50% | 0.502 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 176.2 | -172 | -178 | 85.4 | 0 | 0 | 112.3 | V99 K100 L105 E106 I107 | V99-M103 VanDerWaalsContact O-CB 3.28Å; V99-M103 WeakPolarHBondContact O-CB 3.48Å; V99-M103 PolarHBondContact O-N 3.04Å; K100-M103 PolarHBondContact O-N 2.91Å; M103-L105 VanDerWaalsContact C-N 3.3Å; M103-L105 PolarHBondContact O-N 2.93Å; M103-E106 PolarHBondContact O-N 3.01Å; M103-I107 HydrophobicContact CE-CD1 4.13Å; M103-I107 HydrophobicContact CG-CD1 3.91Å; M103-I107 HydrophobicContact CG-CG1 4.49Å; M103-I107 WeakPolarHBondContact O-CB 3.28Å; M103-I107 VanDerWaalsContact O-CG1 3.24Å; M103-I107 WeakPolarHBondContact O-CG1 3.23Å; M103-I107 PolarHBondContact O-N 3.09Å |
| 104 | E | 79.6 | Confident | 78.1 | Confident | 95 Ų | 95 | 106.1 Ų | 106.1 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 177.1 | -77.6 | 176 | -174.6 | 0 | 0 | 111.7 | K100 V101 E102 Q108 | K100-E104 WeakPolarHBondContact CE-OE1 3.31Å; K100-E104 IonicContact NZ-OE1 3.9Å; K100-E104 WeakPolarHBondContact O-CB 3.44Å; K100-E104 VanDerWaalsContact O-CG 3.29Å; K100-E104 WeakPolarHBondContact O-CG 3.14Å; K100-E104 PolarHBondContact O-N 3.4Å; V101-E104 PolarHBondContact O-N 2.86Å; E102-E104 PolarHBondContact O-N 3.49Å; E104-Q108 WeakPolarHBondContact O-CG 3.41Å; E104-Q108 PolarHBondContact O-N 3.2Å |
| 105 | L | 79.6 | Confident | 79 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -46.9 | 175.7 | -170.3 | 161 | 0 | 0 | 0 | 111.1 | V101 E102 M103 I107 Q108 Q109 | V101-L105 WeakPolarHBondContact O-CB 3.48Å; V101-L105 PolarHBondContact O-N 2.89Å; E102-L105 WeakPolarHBondContact O-CB 3.2Å; E102-L105 PolarHBondContact O-N 3.35Å; M103-L105 VanDerWaalsContact C-N 3.3Å; M103-L105 PolarHBondContact O-N 2.93Å; L105-I107 VanDerWaalsContact C-N 3.35Å; L105-I107 PolarHBondContact O-N 3.36Å; L105-Q108 PolarHBondContact O-N 3.24Å; L105-Q109 HydrophobicContact CD2-CG 4.12Å; L105-Q109 VanDerWaalsContact CD2-NE2 3.26Å; L105-Q109 WeakPolarHBondContact O-CG 3.44Å; L105-Q109 PolarHBondContact O-N 3.47Å |
| 106 | E | 80.1 | Confident | 79.8 | Confident | 97 Ų | 97 | 103.4 Ų | 103.4 | 45% | 0.453 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.5 | -47 | 176 | -72.9 | -174.3 | 170.2 | 0 | 0 | 111.2 | E102 M103 Q108 Q109 Y110 | E102-E106 WeakPolarHBondContact O-CG 3.45Å; E102-E106 PolarHBondContact O-N 3.02Å; M103-E106 PolarHBondContact O-N 3.01Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.16Å; E106-Q109 WeakPolarHBondContact O-CB 3.48Å; E106-Q109 PolarHBondContact O-N 3.38Å; E106-Q109 VanDerWaalsContact O-N 3.09Å; E106-Y110 WeakPolarHBondContact O-CD2 3.17Å; E106-Y110 PolarHBondContact O-N 3.1Å |
| 107 | I | 86.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 108 Ų | 108 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 176.9 | -70.8 | 167.2 | 0 | 0 | 0 | 110.8 | M103 L105 Q109 Y110 E111 | M103-I107 HydrophobicContact CE-CD1 4.13Å; M103-I107 HydrophobicContact CG-CD1 3.91Å; M103-I107 HydrophobicContact CG-CG1 4.49Å; M103-I107 WeakPolarHBondContact O-CB 3.28Å; M103-I107 VanDerWaalsContact O-CG1 3.24Å; M103-I107 WeakPolarHBondContact O-CG1 3.23Å; M103-I107 PolarHBondContact O-N 3.09Å; L105-I107 VanDerWaalsContact C-N 3.35Å; L105-I107 PolarHBondContact O-N 3.36Å; I107-Q109 VanDerWaalsContact C-N 3.28Å; I107-Q109 PolarHBondContact O-N 3.12Å; I107-Y110 PolarHBondContact O-N 3.45Å; I107-Y110 VanDerWaalsContact O-N 3.16Å; I107-E111 HydrophobicContact CG2-CG 4.4Å; I107-E111 WeakPolarHBondContact O-CG 3.28Å; I107-E111 PolarHBondContact O-N 3.35Å |
| 108 | Q | 77.7 | Confident | 80.5 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -34.3 | 177.1 | -79.5 | -168 | -5.9 | 0 | 0 | 113.1 | E104 L105 E106 K112 | E104-Q108 WeakPolarHBondContact O-CG 3.41Å; E104-Q108 PolarHBondContact O-N 3.2Å; L105-Q108 PolarHBondContact O-N 3.24Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.16Å; Q108-K112 VanDerWaalsContact O-CG 3.28Å; Q108-K112 WeakPolarHBondContact O-CG 3.2Å; Q108-K112 PolarHBondContact O-N 2.99Å |
| 109 | Q | 80.6 | Confident | 81.4 | Confident | 123 Ų | 123 | 106.3 Ų | 106.3 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | 174.3 | -70.4 | -172.9 | 4.3 | 0 | 0 | 111.3 | L105 E106 I107 K112 A113 | L105-Q109 HydrophobicContact CD2-CG 4.12Å; L105-Q109 VanDerWaalsContact CD2-NE2 3.26Å; L105-Q109 WeakPolarHBondContact O-CG 3.44Å; L105-Q109 PolarHBondContact O-N 3.47Å; E106-Q109 WeakPolarHBondContact O-CB 3.48Å; E106-Q109 PolarHBondContact O-N 3.38Å; E106-Q109 VanDerWaalsContact O-N 3.09Å; I107-Q109 VanDerWaalsContact C-N 3.28Å; I107-Q109 PolarHBondContact O-N 3.12Å; Q109-K112 PolarHBondContact O-N 3.32Å; Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 2.98Å |
| 110 | Y | 76.2 | Confident | 82.2 | Confident | 178 Ų | 178 | 107.2 Ų | 107.2 | 70% | 0.698 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 175.4 | -78.9 | -71 | 0 | 0 | 0 | 112.3 | E106 I107 A113 K114 | E106-Y110 WeakPolarHBondContact O-CD2 3.17Å; E106-Y110 PolarHBondContact O-N 3.1Å; I107-Y110 PolarHBondContact O-N 3.45Å; I107-Y110 VanDerWaalsContact O-N 3.16Å; Y110-A113 PolarHBondContact O-N 2.87Å; Y110-K114 WeakPolarHBondContact O-CB 3.19Å; Y110-K114 PolarHBondContact O-N 3.45Å |
| 111 | E | 87.6 | Confident | 82.4 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 175.9 | -75.3 | -175.7 | 161.9 | 0 | 0 | 112 | I107 A113 K114 A115 | I107-E111 HydrophobicContact CG2-CG 4.4Å; I107-E111 WeakPolarHBondContact O-CG 3.28Å; I107-E111 PolarHBondContact O-N 3.35Å; E111-A113 PolarHBondContact O-N 2.9Å; E111-K114 PolarHBondContact O-N 3.09Å; E111-A115 PolarHBondContact O-N 2.81Å |
| 112 | K | 84.5 | Confident | 83.2 | Confident | 137 Ų | 137 | 107.9 Ų | 107.9 | 60% | 0.596 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 175.6 | -73.4 | 171.8 | -176.3 | 172.3 | 0 | 111.8 | Q108 Q109 K114 A115 V116 | Q108-K112 VanDerWaalsContact O-CG 3.28Å; Q108-K112 WeakPolarHBondContact O-CG 3.2Å; Q108-K112 PolarHBondContact O-N 2.99Å; Q109-K112 PolarHBondContact O-N 3.32Å; K112-K114 VanDerWaalsContact C-N 3.33Å; K112-K114 PolarHBondContact O-N 3.38Å; K112-A115 PolarHBondContact O-N 3Å; K112-V116 WeakPolarHBondContact O-CG2 3.43Å; K112-V116 PolarHBondContact O-N 2.86Å |
| 113 | A | 87 | Confident | 84.1 | Confident | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q109 Y110 E111 R117 | Q109-A113 WeakPolarHBondContact O-CB 3.34Å; Q109-A113 PolarHBondContact O-N 2.98Å; Y110-A113 PolarHBondContact O-N 2.87Å; E111-A113 PolarHBondContact O-N 2.9Å; A113-R117 PolarHBondContact O-N 3.48Å |
| 114 | K | 87.6 | Confident | 85.3 | Confident | 130 Ų | 130 | 109.7 Ų | 109.7 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 174.3 | -176.2 | -169.9 | 170.4 | -165.3 | 0 | 111.1 | Y110 E111 K112 V116 R117 E118 | Y110-K114 WeakPolarHBondContact O-CB 3.19Å; Y110-K114 PolarHBondContact O-N 3.45Å; E111-K114 PolarHBondContact O-N 3.09Å; K112-K114 VanDerWaalsContact C-N 3.33Å; K112-K114 PolarHBondContact O-N 3.38Å; K114-V116 VanDerWaalsContact C-N 3.31Å; K114-V116 PolarHBondContact O-N 3.03Å; K114-R117 WeakPolarHBondContact O-CB 3.46Å; K114-R117 PolarHBondContact O-N 2.91Å; K114-R117 VanDerWaalsContact O-N 3.09Å; K114-E118 PolarHBondContact O-N 3.23Å |
| 115 | A | 88.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E111 K112 R117 E118 E119 | E111-A115 PolarHBondContact O-N 2.81Å; K112-A115 PolarHBondContact O-N 3Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.48Å; A115-E118 PolarHBondContact O-N 3.38Å; A115-E119 PolarHBondContact O-N 3.01Å |
| 116 | V | 91.3 | Very high | 86.6 | Confident | 87 Ų | 87 | 109 Ų | 109 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | K112 K114 E118 E119 Q120 | K112-V116 WeakPolarHBondContact O-CG2 3.43Å; K112-V116 PolarHBondContact O-N 2.86Å; K114-V116 VanDerWaalsContact C-N 3.31Å; K114-V116 PolarHBondContact O-N 3.03Å; V116-E118 VanDerWaalsContact C-N 3.35Å; V116-E119 PolarHBondContact O-N 3Å; V116-Q120 WeakPolarHBondContact O-CG 3.43Å; V116-Q120 PolarHBondContact O-N 3.38Å; V116-Q120 VanDerWaalsContact O-N 3.12Å |
| 117 | R | 73.3 | Confident | 87.4 | Confident | 184 Ų | 184 | 108.7 Ų | 108.7 | 69% | 0.694 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 177.6 | -169.1 | -169.6 | -67.2 | 141.3 | -2.2 | 111.8 | A113 K114 A115 Q120 L121 | A113-R117 PolarHBondContact O-N 3.48Å; K114-R117 WeakPolarHBondContact O-CB 3.46Å; K114-R117 PolarHBondContact O-N 2.91Å; K114-R117 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.34Å; A115-R117 PolarHBondContact O-N 3.48Å; R117-Q120 PolarHBondContact O-N 3.41Å; R117-L121 PolarHBondContact O-N 3.47Å |
| 118 | E | 89.1 | Confident | 87.6 | Confident | 104 Ų | 104 | 109 Ų | 109 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.5 | -165.5 | 166.1 | 178.6 | 0 | 0 | 111 | K114 A115 V116 Q120 L121 D122 | K114-E118 PolarHBondContact O-N 3.23Å; A115-E118 PolarHBondContact O-N 3.38Å; V116-E118 VanDerWaalsContact C-N 3.35Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.01Å; E118-L121 WeakPolarHBondContact O-CA 3.2Å; E118-L121 WeakPolarHBondContact O-CB 3.09Å; E118-L121 PolarHBondContact O-N 2.91Å; E118-D122 PolarHBondContact O-N 3.36Å |
| 119 | E | 91.9 | Very high | 88.4 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 42% | 0.416 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 174.4 | -165.6 | -168.6 | 159.5 | 0 | 0 | 112.3 | A115 V116 L121 D122 R123 | A115-E119 PolarHBondContact O-N 3.01Å; V116-E119 PolarHBondContact O-N 3Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-D122 PolarHBondContact O-N 3.23Å; E119-R123 WeakPolarHBondContact O-CB 3.31Å; E119-R123 VanDerWaalsContact O-CG 3.3Å; E119-R123 WeakPolarHBondContact O-CG 3.3Å; E119-R123 PolarHBondContact O-N 2.72Å; E119-R123 IonicContact OE1-CZ 3.33Å; E119-R123 IonicContact OE1-NE 3.18Å; E119-R123 PolarHBondContact OE1-NE 2.74Å; E119-R123 IonicContact OE1-NH2 2.68Å; E119-R123 PolarHBondContact OE1-NH2 2.91Å |
| 120 | Q | 86.6 | Confident | 89.1 | Confident | 105 Ų | 105 | 108.9 Ų | 108.9 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 173.9 | -65.4 | -54.3 | -68.6 | 0 | 0 | 112 | V116 R117 E118 L124 | V116-Q120 WeakPolarHBondContact O-CG 3.43Å; V116-Q120 PolarHBondContact O-N 3.38Å; V116-Q120 VanDerWaalsContact O-N 3.12Å; R117-Q120 PolarHBondContact O-N 3.41Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.01Å; Q120-L124 WeakPolarHBondContact O-CB 3.48Å; Q120-L124 PolarHBondContact O-N 3.38Å |
| 121 | L | 83.5 | Confident | 89.9 | Confident | 109 Ų | 109 | 104.7 Ų | 104.7 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 176.2 | -164.6 | 100.1 | 0 | 0 | 0 | 110.9 | R117 E118 E119 L124 T125 | R117-L121 PolarHBondContact O-N 3.47Å; E118-L121 WeakPolarHBondContact O-CA 3.2Å; E118-L121 WeakPolarHBondContact O-CB 3.09Å; E118-L121 PolarHBondContact O-N 2.91Å; E119-L121 VanDerWaalsContact C-N 3.33Å; L121-L124 PolarHBondContact O-N 3.23Å; L121-T125 VanDerWaalsContact O-CB 3.28Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.88Å; L121-T125 PolarHBondContact O-OG1 3.3Å |
| 122 | D | 92.9 | Very high | 90 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 178.1 | -76.3 | -19.7 | 0 | 0 | 0 | 111.5 | E118 E119 L124 T125 Q126 | E118-D122 PolarHBondContact O-N 3.36Å; E119-D122 PolarHBondContact O-N 3.23Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.38Å; D122-T125 PolarHBondContact O-N 3.41Å; D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 PolarHBondContact O-N 2.87Å |
| 123 | R | 93.7 | Very high | 90.4 | Very high | 137 Ų | 137 | 100 Ų | 100 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175 | -73.2 | 177.8 | -175.5 | -146.8 | 4.9 | 111.5 | E119 Q126 I127 | E119-R123 WeakPolarHBondContact O-CB 3.31Å; E119-R123 VanDerWaalsContact O-CG 3.3Å; E119-R123 WeakPolarHBondContact O-CG 3.3Å; E119-R123 PolarHBondContact O-N 2.72Å; E119-R123 IonicContact OE1-CZ 3.33Å; E119-R123 IonicContact OE1-NE 3.18Å; E119-R123 PolarHBondContact OE1-NE 2.74Å; E119-R123 IonicContact OE1-NH2 2.68Å; E119-R123 PolarHBondContact OE1-NH2 2.91Å; R123-Q126 PolarHBondContact O-N 3.37Å; R123-I127 VanDerWaalsContact O-CG1 3.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.4Å; R123-I127 PolarHBondContact O-N 2.77Å |
| 124 | L | 93.1 | Very high | 90.7 | Very high | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -38.8 | 178.1 | -174.2 | 63.4 | 0 | 0 | 0 | 111.7 | Q120 L121 D122 Q126 I127 C128 | Q120-L124 WeakPolarHBondContact O-CB 3.48Å; Q120-L124 PolarHBondContact O-N 3.38Å; L121-L124 PolarHBondContact O-N 3.23Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.38Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; L124-I127 PolarHBondContact O-N 2.79Å; L124-C128 VanDerWaalsContact O-CB 3.32Å; L124-C128 WeakPolarHBondContact O-CB 3.48Å; L124-C128 PolarHBondContact O-N 3.06Å |
| 125 | T | 92.9 | Very high | 90.8 | Very high | 62 Ų | 62 | 99.2 Ų | 99.2 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.7 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | L121 D122 C128 Q129 | L121-T125 VanDerWaalsContact O-CB 3.28Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.88Å; L121-T125 PolarHBondContact O-OG1 3.3Å; D122-T125 PolarHBondContact O-N 3.41Å; T125-C128 WeakPolarHBondContact O-CB 3.3Å; T125-C128 PolarHBondContact O-N 3.46Å; T125-Q129 WeakPolarHBondContact O-CG 3.26Å; T125-Q129 PolarHBondContact O-N 2.93Å |
| 126 | Q | 94.4 | Very high | 90.9 | Very high | 111 Ų | 111 | 104.3 Ų | 104.3 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -50.4 | 174.9 | -176.4 | -175.4 | -20.9 | 0 | 0 | 111.1 | D122 R123 L124 C128 Q129 E130 | D122-Q126 WeakPolarHBondContact O-CB 3.43Å; D122-Q126 PolarHBondContact O-N 2.87Å; R123-Q126 PolarHBondContact O-N 3.37Å; L124-Q126 VanDerWaalsContact C-N 3.34Å; Q126-C128 VanDerWaalsContact C-N 3.27Å; Q126-C128 PolarHBondContact O-N 3.32Å; Q126-Q129 PolarHBondContact O-N 3.1Å; Q126-Q129 VanDerWaalsContact O-N 3.1Å; Q126-E130 PolarHBondContact NE2-OE1 3.21Å; Q126-E130 WeakPolarHBondContact O-CG 3.26Å; Q126-E130 PolarHBondContact O-N 3.5Å |
| 127 | I | 95.2 | Very high | 91 | Very high | 90 Ų | 90 | 104.6 Ų | 104.6 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 177.5 | -66.6 | 164.1 | 0 | 0 | 0 | 110.6 | R123 L124 Q129 E130 Q131 | R123-I127 VanDerWaalsContact O-CG1 3.3Å; R123-I127 WeakPolarHBondContact O-CG1 3.4Å; R123-I127 PolarHBondContact O-N 2.77Å; L124-I127 PolarHBondContact O-N 2.79Å; I127-Q129 VanDerWaalsContact C-N 3.34Å; I127-Q129 PolarHBondContact O-N 2.94Å; I127-E130 PolarHBondContact O-N 3.31Å; I127-Q131 HydrophobicContact CG2-CG 4.28Å; I127-Q131 WeakPolarHBondContact O-CB 3.41Å; I127-Q131 VanDerWaalsContact O-CG 3.26Å; I127-Q131 WeakPolarHBondContact O-CG 3.21Å; I127-Q131 PolarHBondContact O-N 3.39Å |
| 128 | C | 92.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 101.2 Ų | 101.2 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | L124 T125 Q126 A132 | L124-C128 VanDerWaalsContact O-CB 3.32Å; L124-C128 WeakPolarHBondContact O-CB 3.48Å; L124-C128 PolarHBondContact O-N 3.06Å; T125-C128 WeakPolarHBondContact O-CB 3.3Å; T125-C128 PolarHBondContact O-N 3.46Å; Q126-C128 VanDerWaalsContact C-N 3.27Å; Q126-C128 PolarHBondContact O-N 3.32Å; C128-A132 VanDerWaalsContact O-CB 3.22Å; C128-A132 WeakPolarHBondContact O-CB 3.23Å; C128-A132 PolarHBondContact O-N 3.35Å |
| 129 | Q | 94.3 | Very high | 91.8 | Very high | 134 Ų | 134 | 104.5 Ų | 104.5 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -42.8 | 175.9 | -74.1 | -173 | 2.1 | 0 | 0 | 112.4 | T125 Q126 I127 A132 F133 | T125-Q129 WeakPolarHBondContact O-CG 3.26Å; T125-Q129 PolarHBondContact O-N 2.93Å; Q126-Q129 PolarHBondContact O-N 3.1Å; Q126-Q129 VanDerWaalsContact O-N 3.1Å; I127-Q129 VanDerWaalsContact C-N 3.34Å; I127-Q129 PolarHBondContact O-N 2.94Å; Q129-A132 PolarHBondContact O-N 3.5Å; Q129-F133 PolarHBondContact O-N 2.92Å |
| 130 | E | 93.6 | Very high | 91.8 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -50.3 | 175.6 | -72.7 | 174 | -171 | 0 | 0 | 110.7 | Q126 I127 A132 F133 E134 | Q126-E130 PolarHBondContact NE2-OE1 3.21Å; Q126-E130 WeakPolarHBondContact O-CG 3.26Å; Q126-E130 PolarHBondContact O-N 3.5Å; I127-E130 PolarHBondContact O-N 3.31Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.38Å; E130-F133 WeakPolarHBondContact O-CB 3.31Å; E130-F133 PolarHBondContact O-N 3.01Å; E130-F133 VanDerWaalsContact O-N 3.08Å; E130-E134 PolarHBondContact O-N 3.43Å |
| 131 | Q | 93.5 | Very high | 91.9 | Very high | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.3 | -70.2 | -64.6 | -68.2 | 0 | 0 | 112.1 | I127 F133 E134 I135 | I127-Q131 HydrophobicContact CG2-CG 4.28Å; I127-Q131 WeakPolarHBondContact O-CB 3.41Å; I127-Q131 VanDerWaalsContact O-CG 3.26Å; I127-Q131 WeakPolarHBondContact O-CG 3.21Å; I127-Q131 PolarHBondContact O-N 3.39Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.38Å; Q131-E134 PolarHBondContact NE2-OE2 3.47Å; Q131-E134 PolarHBondContact O-N 3.27Å; Q131-I135 VanDerWaalsContact O-CG1 3.26Å; Q131-I135 WeakPolarHBondContact O-CG1 3.32Å; Q131-I135 PolarHBondContact O-N 2.84Å |
| 132 | A | 89.8 | Confident | 92.1 | Very high | 30 Ų | 30 | 103.2 Ų | 103.2 | 25% | 0.248 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -65.8 | -31.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C128 Q129 E130 R136 | C128-A132 VanDerWaalsContact O-CB 3.22Å; C128-A132 WeakPolarHBondContact O-CB 3.23Å; C128-A132 PolarHBondContact O-N 3.35Å; Q129-A132 PolarHBondContact O-N 3.5Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.38Å; A132-R136 VanDerWaalsContact O-CG 3.26Å; A132-R136 WeakPolarHBondContact O-CG 3.38Å; A132-R136 PolarHBondContact O-N 2.91Å; A132-R136 PolarHBondContact O-NH1 2.86Å |
| 133 | F | 93.8 | Very high | 91.8 | Very high | 131 Ų | 131 | 101.4 Ų | 101.4 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -47.8 | 173 | 179.6 | -94.6 | 0 | 0 | 0 | 111.3 | Q129 E130 Q131 I135 R136 Q137 | Q129-F133 PolarHBondContact O-N 2.92Å; E130-F133 WeakPolarHBondContact O-CB 3.31Å; E130-F133 PolarHBondContact O-N 3.01Å; E130-F133 VanDerWaalsContact O-N 3.08Å; Q131-F133 VanDerWaalsContact C-N 3.28Å; Q131-F133 PolarHBondContact O-N 3.38Å; F133-I135 VanDerWaalsContact C-N 3.32Å; F133-I135 PolarHBondContact O-N 2.97Å; F133-R136 PolarHBondContact O-N 3.42Å; F133-R136 VanDerWaalsContact O-N 3.1Å; F133-Q137 PolarHBondContact O-N 2.72Å |
| 134 | E | 92 | Very high | 91.4 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.8 | -45.4 | 177 | -71.2 | 178.5 | -178.5 | 0 | 0 | 111.7 | E130 Q131 R136 Q137 L138 | E130-E134 PolarHBondContact O-N 3.43Å; Q131-E134 PolarHBondContact NE2-OE2 3.47Å; Q131-E134 PolarHBondContact O-N 3.27Å; E134-R136 VanDerWaalsContact C-N 3.33Å; E134-R136 PolarHBondContact O-N 2.95Å; E134-Q137 PolarHBondContact O-N 2.85Å; E134-L138 WeakPolarHBondContact O-CB 3.2Å; E134-L138 WeakPolarHBondContact O-CG 3.41Å; E134-L138 PolarHBondContact O-N 2.82Å |
| 135 | I | 90.9 | Very high | 91.1 | Very high | 75 Ų | 75 | 102.1 Ų | 102.1 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.9 | -68.4 | 166.1 | 0 | 0 | 0 | 111 | Q131 F133 R139 | Q131-I135 VanDerWaalsContact O-CG1 3.26Å; Q131-I135 WeakPolarHBondContact O-CG1 3.32Å; Q131-I135 PolarHBondContact O-N 2.84Å; F133-I135 VanDerWaalsContact C-N 3.32Å; F133-I135 PolarHBondContact O-N 2.97Å; I135-R139 HydrophobicContact CG2-CG 4.48Å; I135-R139 VanDerWaalsContact CG2-CZ 3.41Å; I135-R139 WeakPolarHBondContact O-CB 3.41Å; I135-R139 VanDerWaalsContact O-CG 3.27Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.21Å |
| 136 | R | 90.4 | Very high | 90.7 | Very high | 162 Ų | 162 | 104.3 Ų | 104.3 | 61% | 0.611 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 177.3 | -74.7 | 179.7 | -164.5 | 110.5 | -5.5 | 111.4 | A132 F133 E134 R139 A140 | A132-R136 VanDerWaalsContact O-CG 3.26Å; A132-R136 WeakPolarHBondContact O-CG 3.38Å; A132-R136 PolarHBondContact O-N 2.91Å; A132-R136 PolarHBondContact O-NH1 2.86Å; F133-R136 PolarHBondContact O-N 3.42Å; F133-R136 VanDerWaalsContact O-N 3.1Å; E134-R136 VanDerWaalsContact C-N 3.33Å; E134-R136 PolarHBondContact O-N 2.95Å; R136-R139 PolarHBondContact O-N 2.97Å; R136-A140 PolarHBondContact O-N 2.93Å |
| 137 | Q | 92.9 | Very high | 90.1 | Very high | 94 Ų | 94 | 105.4 Ų | 105.4 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -48.5 | 177.1 | -176 | 179.4 | -6.2 | 0 | 0 | 111.2 | F133 E134 R139 A140 H141 | F133-Q137 PolarHBondContact O-N 2.72Å; E134-Q137 PolarHBondContact O-N 2.85Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3Å; Q137-A140 PolarHBondContact O-N 3.45Å; Q137-A140 VanDerWaalsContact O-N 3.15Å; Q137-H141 PolarHBondContact O-CD2 2.97Å; Q137-H141 VanDerWaalsContact O-CD2 3.3Å; Q137-H141 PolarHBondContact O-N 3.46Å |
| 138 | L | 93.1 | Very high | 89.4 | Confident | 113 Ų | 113 | 106.2 Ų | 106.2 | 59% | 0.592 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -41.2 | 177.1 | -71.3 | 171.2 | 0 | 0 | 0 | 111.8 | E134 A140 H141 L142 | E134-L138 WeakPolarHBondContact O-CB 3.2Å; E134-L138 WeakPolarHBondContact O-CG 3.41Å; E134-L138 PolarHBondContact O-N 2.82Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.84Å; L138-H141 PolarHBondContact O-N 2.88Å; L138-L142 WeakPolarHBondContact O-CB 3.17Å; L138-L142 PolarHBondContact O-N 3.31Å |
| 139 | R | 87.5 | Confident | 88.9 | Confident | 172 Ų | 172 | 107.3 Ų | 107.3 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -39.3 | 174.4 | -77.8 | 177.3 | -179.7 | 151.5 | 2.2 | 112.6 | I135 R136 Q137 A143 | I135-R139 HydrophobicContact CG2-CG 4.48Å; I135-R139 VanDerWaalsContact CG2-CZ 3.41Å; I135-R139 WeakPolarHBondContact O-CB 3.41Å; I135-R139 VanDerWaalsContact O-CG 3.27Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.21Å; R136-R139 PolarHBondContact O-N 2.97Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3Å; R139-A143 WeakPolarHBondContact O-CB 3.42Å; R139-A143 PolarHBondContact O-N 3.33Å |
| 140 | A | 90.4 | Very high | 88.2 | Confident | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R136 Q137 L138 A143 Q144 | R136-A140 PolarHBondContact O-N 2.93Å; Q137-A140 PolarHBondContact O-N 3.45Å; Q137-A140 VanDerWaalsContact O-N 3.15Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-A140 PolarHBondContact O-N 2.84Å; A140-A143 PolarHBondContact O-N 2.9Å; A140-Q144 WeakPolarHBondContact O-CB 3.4Å; A140-Q144 PolarHBondContact O-N 2.88Å |
| 141 | H | 88.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 175.5 | -87.1 | -107.2 | 0 | 0 | 0 | 112.2 | Q137 L138 Q144 Q145 | Q137-H141 PolarHBondContact O-CD2 2.97Å; Q137-H141 VanDerWaalsContact O-CD2 3.3Å; Q137-H141 PolarHBondContact O-N 3.46Å; L138-H141 PolarHBondContact O-N 2.88Å; H141-Q144 PolarHBondContact O-N 3.2Å; H141-Q145 WeakPolarHBondContact O-CG 3.35Å; H141-Q145 PolarHBondContact O-N 3.27Å |
| 142 | L | 87.6 | Confident | 86.6 | Confident | 114 Ų | 114 | 103.7 Ų | 103.7 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 174.4 | -91.8 | 153.6 | 0 | 0 | 0 | 111.8 | L138 Q144 Q145 D146 | L138-L142 WeakPolarHBondContact O-CB 3.17Å; L138-L142 PolarHBondContact O-N 3.31Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.29Å; L142-Q145 PolarHBondContact O-N 2.82Å; L142-D146 PolarHBondContact O-N 2.99Å |
| 143 | A | 87.2 | Confident | 86.1 | Confident | 60 Ų | 60 | 110.6 Ų | 110.6 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R139 A140 L147 | R139-A143 WeakPolarHBondContact O-CB 3.42Å; R139-A143 PolarHBondContact O-N 3.33Å; A140-A143 PolarHBondContact O-N 2.9Å; A143-L147 PolarHBondContact O-N 3.46Å; A143-L147 VanDerWaalsContact O-N 3.16Å |
| 144 | Q | 85.4 | Confident | 85.4 | Confident | 143 Ų | 143 | 110.1 Ų | 110.1 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.9 | -39.8 | 177.8 | -169 | 171.6 | -21.4 | 0 | 0 | 112.2 | A140 H141 L142 L147 D148 | A140-Q144 WeakPolarHBondContact O-CB 3.4Å; A140-Q144 PolarHBondContact O-N 2.88Å; H141-Q144 PolarHBondContact O-N 3.2Å; L142-Q144 VanDerWaalsContact C-N 3.27Å; L142-Q144 PolarHBondContact O-N 3.29Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q144-D148 PolarHBondContact O-N 2.98Å; Q144-D148 VanDerWaalsContact O-N 3.09Å |
| 145 | Q | 87.3 | Confident | 84.6 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 174.4 | -75.5 | -177.9 | -26.7 | 0 | 0 | 112.4 | H141 L142 L147 D148 L149 | H141-Q145 WeakPolarHBondContact O-CG 3.35Å; H141-Q145 PolarHBondContact O-N 3.27Å; L142-Q145 PolarHBondContact O-N 2.82Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; Q145-D148 PolarHBondContact O-N 2.78Å; Q145-L149 WeakPolarHBondContact O-CB 3.21Å; Q145-L149 WeakPolarHBondContact O-CG 3.31Å; Q145-L149 PolarHBondContact O-N 3.22Å |
| 146 | D | 85.1 | Confident | 83.7 | Confident | 109 Ų | 109 | 106.9 Ų | 106.9 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -39.4 | 178.5 | -149.2 | 27.1 | 0 | 0 | 0 | 111 | L142 V150 | L142-D146 PolarHBondContact O-N 2.99Å; D146-V150 WeakPolarHBondContact O-CB 3.21Å; D146-V150 VanDerWaalsContact O-CG2 3.22Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.35Å |
| 147 | L | 81.3 | Confident | 82.7 | Confident | 133 Ų | 133 | 104 Ų | 104 | 70% | 0.696 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65 | -39.1 | 174.9 | -145.1 | 80 | 0 | 0 | 0 | 112.5 | A143 Q144 Q145 V150 A151 | A143-L147 PolarHBondContact O-N 3.46Å; A143-L147 VanDerWaalsContact O-N 3.16Å; Q144-L147 PolarHBondContact O-N 2.94Å; Q145-L147 VanDerWaalsContact C-N 3.33Å; L147-V150 PolarHBondContact O-N 2.89Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å |
| 148 | D | 81.1 | Confident | 81.7 | Confident | 108 Ų | 108 | 106.1 Ų | 106.1 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.7 | -43 | 178.6 | -159.1 | 32.1 | 0 | 0 | 0 | 111.4 | Q144 Q145 V150 A151 E152 | Q144-D148 PolarHBondContact O-N 2.98Å; Q144-D148 VanDerWaalsContact O-N 3.09Å; Q145-D148 PolarHBondContact O-N 2.78Å; D148-V150 VanDerWaalsContact C-N 3.34Å; D148-V150 PolarHBondContact O-N 2.67Å; D148-A151 PolarHBondContact O-N 2.93Å; D148-E152 PolarHBondContact O-N 2.93Å |
| 149 | L | 80.3 | Confident | 80.5 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 56% | 0.555 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -39.2 | 173.2 | -77.3 | 166.6 | 0 | 0 | 0 | 112.4 | Q145 R153 | Q145-L149 WeakPolarHBondContact O-CB 3.21Å; Q145-L149 WeakPolarHBondContact O-CG 3.31Å; Q145-L149 PolarHBondContact O-N 3.22Å; L149-R153 VanDerWaalsContact O-CB 3.27Å; L149-R153 WeakPolarHBondContact O-CB 3.38Å; L149-R153 PolarHBondContact O-N 3.05Å |
| 150 | V | 79.8 | Confident | 79.2 | Confident | 65 Ų | 65 | 104.9 Ų | 104.9 | 39% | 0.394 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -42.5 | 174.3 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | D146 L147 D148 R153 E154 | D146-V150 WeakPolarHBondContact O-CB 3.21Å; D146-V150 VanDerWaalsContact O-CG2 3.22Å; D146-V150 WeakPolarHBondContact O-CG2 3.44Å; D146-V150 PolarHBondContact O-N 3.35Å; L147-V150 PolarHBondContact O-N 2.89Å; D148-V150 VanDerWaalsContact C-N 3.34Å; D148-V150 PolarHBondContact O-N 2.67Å; V150-R153 WeakPolarHBondContact O-CB 3.28Å; V150-R153 PolarHBondContact O-N 3.35Å; V150-E154 WeakPolarHBondContact O-CG 3.28Å; V150-E154 PolarHBondContact O-N 3.29Å |
| 151 | A | 78.4 | Confident | 77.8 | Confident | 50 Ų | 50 | 108.1 Ų | 108.1 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L147 D148 E154 A155 | L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.07Å; D148-A151 PolarHBondContact O-N 2.93Å; A151-E154 PolarHBondContact O-N 2.99Å; A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 3.36Å |
| 152 | E | 74.9 | Confident | 76.2 | Confident | 129 Ų | 129 | 109.6 Ų | 109.6 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.8 | -42.3 | 172.7 | -78.9 | -160.1 | 153.7 | 0 | 0 | 111.8 | D148 E154 A155 A156 | D148-E152 PolarHBondContact O-N 2.93Å; E152-E154 VanDerWaalsContact C-N 3.31Å; E152-E154 PolarHBondContact O-N 3.45Å; E152-A155 PolarHBondContact O-N 3.06Å; E152-A156 WeakPolarHBondContact O-CB 3.34Å; E152-A156 PolarHBondContact O-N 3.04Å |
| 153 | R | 80.4 | Confident | 74.8 | Confident | 174 Ų | 174 | 113 Ų | 113 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.9 | -41.8 | 176.3 | -174.7 | -173.8 | 174.6 | -153.8 | -1.7 | 111.2 | L149 V150 M157 | L149-R153 VanDerWaalsContact O-CB 3.27Å; L149-R153 WeakPolarHBondContact O-CB 3.38Å; L149-R153 PolarHBondContact O-N 3.05Å; V150-R153 WeakPolarHBondContact O-CB 3.28Å; V150-R153 PolarHBondContact O-N 3.35Å; R153-M157 HydrophobicContact CG-CE 4.16Å; R153-M157 WeakPolarHBondContact O-CB 3.2Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.32Å; R153-M157 PolarHBondContact O-N 3.13Å |
| 154 | E | 79.1 | Confident | 73.4 | Confident | 121 Ų | 121 | 111.6 Ų | 111.6 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.9 | -42.1 | 176.4 | -74.2 | -174.5 | 173.3 | 0 | 0 | 112.2 | V150 A151 E152 A156 M157 Q158 | V150-E154 WeakPolarHBondContact O-CG 3.28Å; V150-E154 PolarHBondContact O-N 3.29Å; A151-E154 PolarHBondContact O-N 2.99Å; E152-E154 VanDerWaalsContact C-N 3.31Å; E152-E154 PolarHBondContact O-N 3.45Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-A156 PolarHBondContact O-N 3.23Å; E154-M157 HydrophobicContact CG-CE 4.06Å; E154-M157 PolarHBondContact O-N 3.48Å; E154-Q158 WeakPolarHBondContact O-CB 3.22Å; E154-Q158 PolarHBondContact O-N 2.82Å |
| 155 | A | 73.9 | Confident | 72 | Confident | 47 Ų | 47 | 111.9 Ų | 111.9 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -42.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A151 E152 Q158 I159 | A151-A155 WeakPolarHBondContact O-CB 3.29Å; A151-A155 PolarHBondContact O-N 3.36Å; E152-A155 PolarHBondContact O-N 3.06Å; A155-Q158 PolarHBondContact O-N 2.9Å; A155-I159 VanDerWaalsContact O-CG1 3.32Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 3.45Å |
| 156 | A | 72.4 | Confident | 70.4 | Confident | 56 Ų | 56 | 112.9 Ų | 112.9 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.2 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E152 E154 Q158 I159 H160 | E152-A156 WeakPolarHBondContact O-CB 3.34Å; E152-A156 PolarHBondContact O-N 3.04Å; E154-A156 VanDerWaalsContact C-N 3.35Å; E154-A156 PolarHBondContact O-N 3.23Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 3.07Å; A156-I159 PolarHBondContact O-N 3.21Å; A156-H160 PolarHBondContact O-N 3.22Å |
| 157 | M | 70.5 | Confident | 68.7 | Low | 101 Ų | 101 | 111.3 Ų | 111.3 | 50% | 0.498 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.1 | -35.4 | 174 | -75.8 | -171.4 | -62.7 | 0 | 0 | 112.1 | R153 E154 H160 H161 | R153-M157 HydrophobicContact CG-CE 4.16Å; R153-M157 WeakPolarHBondContact O-CB 3.2Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.32Å; R153-M157 PolarHBondContact O-N 3.13Å; E154-M157 HydrophobicContact CG-CE 4.06Å; E154-M157 PolarHBondContact O-N 3.48Å; M157-H160 PolarHBondContact O-N 2.89Å; M157-H161 WeakPolarHBondContact O-CB 3.43Å; M157-H161 PolarHBondContact O-N 3.33Å |
| 158 | Q | 70.6 | Confident | 67.3 | Low | 139 Ų | 139 | 109.5 Ų | 109.5 | 65% | 0.65 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.3 | -39.4 | 178.8 | -152.3 | 158 | 56.6 | 0 | 0 | 112 | E154 A155 A156 H160 H161 M162 | E154-Q158 WeakPolarHBondContact O-CB 3.22Å; E154-Q158 PolarHBondContact O-N 2.82Å; A155-Q158 PolarHBondContact O-N 2.9Å; A156-Q158 VanDerWaalsContact C-N 3.29Å; A156-Q158 PolarHBondContact O-N 3.07Å; Q158-H160 VanDerWaalsContact C-N 3.34Å; Q158-H161 PolarHBondContact O-N 3.41Å; Q158-M162 WeakPolarHBondContact O-CG 3.45Å; Q158-M162 PolarHBondContact O-N 3.09Å |
| 159 | I | 68.5 | Low | 65.8 | Low | 120 Ų | 120 | 109.1 Ų | 109.1 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.4 | -43.8 | 171.5 | -66.1 | 164.4 | 0 | 0 | 0 | 110.5 | A155 A156 H161 M162 W163 | A155-I159 VanDerWaalsContact O-CG1 3.32Å; A155-I159 WeakPolarHBondContact O-CG1 3.31Å; A155-I159 PolarHBondContact O-N 3.45Å; A156-I159 PolarHBondContact O-N 3.21Å; I159-H161 PolarHBondContact O-N 2.98Å; I159-M162 PolarHBondContact O-N 3.47Å; I159-W163 PolarHBondContact O-N 3.33Å |
| 160 | H | 60.4 | Low | 64.2 | Low | 140 Ų | 140 | 113.5 Ų | 113.5 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.8 | -38.7 | 177.5 | -167.4 | -88.4 | 0 | 0 | 0 | 112.4 | A156 M157 Q158 W163 G164 | A156-H160 PolarHBondContact O-N 3.22Å; M157-H160 PolarHBondContact O-N 2.89Å; Q158-H160 VanDerWaalsContact C-N 3.34Å; H160-W163 PolarHBondContact O-N 3.47Å; H160-G164 PolarHBondContact O-N 3.34Å |
| 161 | H | 60.8 | Low | 62.5 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.8 | -35.5 | 176.2 | -174.6 | -91.4 | 0 | 0 | 0 | 112.6 | M157 Q158 I159 K165 | M157-H161 WeakPolarHBondContact O-CB 3.43Å; M157-H161 PolarHBondContact O-N 3.33Å; Q158-H161 PolarHBondContact O-N 3.41Å; I159-H161 PolarHBondContact O-N 2.98Å; H161-K165 PolarHBondContact O-N 2.86Å; H161-K165 VanDerWaalsContact O-N 3.12Å |
| 162 | M | 56.1 | Low | 61 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 68% | 0.68 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 172.4 | -72.5 | 179.7 | 62.7 | 0 | 0 | 112.2 | Q158 I159 K165 Q166 | Q158-M162 WeakPolarHBondContact O-CG 3.45Å; Q158-M162 PolarHBondContact O-N 3.09Å; I159-M162 PolarHBondContact O-N 3.47Å; M162-K165 PolarHBondContact O-N 3.04Å; M162-Q166 PolarHBondContact O-N 2.78Å |
| 163 | W | 56.5 | Low | 59.5 | Low | 184 Ų | 184 | 124.3 Ų | 124.3 | 70% | 0.697 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65 | -43.2 | 175.4 | -171.1 | -96.5 | 0 | 0 | 0 | 112.2 | I159 H160 K165 Q166 S167 | I159-W163 PolarHBondContact O-N 3.33Å; H160-W163 PolarHBondContact O-N 3.47Å; W163-K165 PolarHBondContact O-N 3.49Å; W163-Q166 PolarHBondContact O-N 3.4Å; W163-Q166 VanDerWaalsContact O-N 3.11Å; W163-S167 PolarHBondContact O-N 3.16Å; W163-S167 VanDerWaalsContact O-N 3.08Å; W163-S167 PolarHBondContact O-OG 3.39Å |
| 164 | G | 58.3 | Low | 57.7 | Low | 31 Ų | 31 | 123.8 Ų | 123.8 | 32% | 0.32 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.6 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H160 Q166 S167 S168 | H160-G164 PolarHBondContact O-N 3.34Å; G164-Q166 VanDerWaalsContact C-N 3.31Å; G164-Q166 PolarHBondContact O-N 2.98Å; G164-S167 WeakPolarHBondContact CA-OG 3.32Å; G164-S167 PolarHBondContact O-N 3.46Å; G164-S167 PolarHBondContact O-OG 2.73Å; G164-S168 PolarHBondContact O-N 2.85Å |
| 165 | K | 56.8 | Low | 55.7 | Low | 150 Ų | 150 | 121.6 Ų | 121.6 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.8 | -29.2 | 173.3 | -104.1 | -172.8 | 173.7 | -163.2 | 0 | 113.4 | H161 M162 W163 S168 | H161-K165 PolarHBondContact O-N 2.86Å; H161-K165 VanDerWaalsContact O-N 3.12Å; M162-K165 PolarHBondContact O-N 3.04Å; W163-K165 PolarHBondContact O-N 3.49Å; K165-S168 PolarHBondContact O-OG 3.04Å |
| 166 | Q | 53.5 | Low | 54.2 | Low | 146 Ų | 146 | 128 Ų | 128 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -76.6 | -33 | 175.9 | -138.1 | 179.9 | -1.5 | 0 | 0 | 111.5 | M162 W163 G164 | M162-Q166 PolarHBondContact O-N 2.78Å; W163-Q166 PolarHBondContact O-N 3.4Å; W163-Q166 VanDerWaalsContact O-N 3.11Å; G164-Q166 VanDerWaalsContact C-N 3.31Å; G164-Q166 PolarHBondContact O-N 2.98Å |
| 167 | S | 50.1 | Low | 52.2 | Low | 76 Ų | 76 | 130.4 Ų | 130.4 | 53% | 0.531 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -74.2 | -18.5 | 174.4 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | W163 G164 S169 F170 | W163-S167 PolarHBondContact O-N 3.16Å; W163-S167 VanDerWaalsContact O-N 3.08Å; W163-S167 PolarHBondContact O-OG 3.39Å; G164-S167 WeakPolarHBondContact CA-OG 3.32Å; G164-S167 PolarHBondContact O-N 3.46Å; G164-S167 PolarHBondContact O-OG 2.73Å; S167-S169 PolarHBondContact O-N 3.43Å; S167-F170 PolarHBondContact O-N 3.48Å |
| 168 | S | 51.9 | Low | 50.5 | Low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 2.2 | 176.7 | 87.4 | 0 | 0 | 0 | 0 | 114.1 | G164 K165 F170 | G164-S168 PolarHBondContact O-N 2.85Å; K165-S168 PolarHBondContact O-OG 3.04Å; S168-F170 VanDerWaalsContact C-N 3.3Å |
| 169 | S | 48.5 | Very low | 48.7 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -4 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 113 | S167 | S167-S169 PolarHBondContact O-N 3.43Š|
| 170 | F | 47.7 | Very low | 46.9 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -94.1 | 98.7 | 169.3 | -108.1 | -94.6 | 0 | 0 | 0 | 109.4 | S167 S168 E172 | S167-F170 PolarHBondContact O-N 3.48Å; S168-F170 VanDerWaalsContact C-N 3.3Å; F170-E172 PolarHBondContact O-N 3.08Å |
| 171 | Q | 43.8 | Very low | 45.7 | Very low | 172 Ų | 172 | 124.8 Ų | 124.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -74.8 | 106 | 175.4 | -170.5 | 167.4 | 29.4 | 0 | 0 | 109 | V173 | Q171-V173 HydrophobicContact CG-CG2 4.03Š| ||
| 172 | E | 46.7 | Very low | 44.5 | Very low | 199 Ų | 199 | 125 Ų | 125 | 93% | 0.93 | 74% | 0.737 | S | S | * | * | trans | -78.1 | 117.3 | 166.8 | -170 | 172.3 | 174.9 | 0 | 0 | 108.4 | F170 | F170-E172 PolarHBondContact O-N 3.08Š| ||
| 173 | V | 42.4 | Very low | 43.6 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | trans | -105.6 | 137.5 | -177.7 | 170.3 | 0 | 0 | 0 | 0 | 109.5 | Q171 | Q171-V173 HydrophobicContact CG-CG2 4.03Š| ||
| 174 | D | 42.3 | Very low | 42.6 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 97.2 | 128.6 | 155.4 | -91.6 | -27.8 | 0 | 0 | 0 | 121.4 | ||||
| 175 | G | 38.3 | Very low | 41.7 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 147.9 | 63.2 | 157 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 176 | L | 41.1 | Very low | 41.1 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 95% | 0.953 | 77% | 0.773 | S | S | * | * | trans | -66.9 | 137 | 166.1 | -81.2 | 154.9 | 0 | 0 | 0 | 112 | ||||
| 177 | A | 32.1 | Very low | 40.1 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | 177.8 | 150.1 | 123 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 178 | A | 33.1 | Very low | 39.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | trans | -88.9 | 165.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 179 | G | 32.7 | Very low | 38.7 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | 112.5 | 102.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 180 | A | 32.7 | Very low | 38.1 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | 78.3 | 130 | 129 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 181 | S | 34.8 | Very low | 37.6 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 78.9 | 115.3 | 135.3 | -122.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 182 | D | 35.6 | Very low | 37.5 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | trans | 95.3 | 125.9 | 134 | -70.9 | -41.2 | 0 | 0 | 0 | 123.5 | ||||
| 183 | H | 37 | Very low | 37 | Very low | 162 Ų | 162 | 142 Ų | 142 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | 59.2 | 104.5 | 145.7 | -71.7 | -28.8 | 0 | 0 | 0 | 120 | ||||
| 184 | H | 35.3 | Very low | 36.7 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | -171.8 | 131.7 | 102.3 | -111.6 | -82.6 | 0 | 0 | 0 | 113 | |||||
| 185 | R | 39.1 | Very low | 36.2 | Very low | 180 Ų | 180 | 139 Ų | 139 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | trans | -88.7 | 148.3 | 164.7 | -162 | -142.8 | 176.5 | 112 | -8.3 | 107.9 | ||||
| 186 | P | 43.9 | Very low | 36.4 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | -145.3 | 173.1 | 89.3 | 37 | -17.5 | 0 | 0 | 0 | 110.7 | |||||
| 187 | A | 32.8 | Very low | 35.9 | Very low | 83 Ų | 83 | 139.7 Ų | 139.7 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | cis | -152.3 | 145.5 | 15.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 188 | K | 37.7 | Very low | 36.1 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -112 | 116.2 | 170.6 | -175.3 | -179.3 | -172.2 | -176.9 | 0 | 105.7 | ||||
| 189 | I | 36.1 | Very low | 36.3 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -116.4 | 90.4 | 166.9 | -70.3 | 170.8 | 0 | 0 | 0 | 103.7 | ||||
| 190 | R | 35.1 | Very low | 37.1 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | 59.1 | 101.2 | 92.8 | -163.6 | 164.1 | -175.5 | 118.1 | -1.3 | 111.1 | |||||
| 191 | E | 37.4 | Very low | 37.7 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -49.3 | 153.6 | 158.9 | -70.4 | -176.8 | 149.2 | 0 | 0 | 111.2 | ||||
| 192 | P | 42 | Very low | 38.8 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -123 | 135.2 | 135.4 | 33.2 | -22 | 0 | 0 | 0 | 112.1 | ||||
| 193 | R | 35 | Very low | 40.3 | Very low | 245 Ų | 245 | 150.8 Ų | 150.8 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -60.3 | 127.2 | 160.8 | 175.9 | 179.4 | 178.7 | 153 | -0.7 | 110.7 | ||||
| 194 | G | 37.2 | Very low | 41.6 | Very low | 62 Ų | 62 | 150.3 Ų | 150.3 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | 61.2 | 116.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 195 | T | 31.2 | Very low | 42.5 | Very low | 140 Ų | 140 | 146.3 Ų | 146.3 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | -171.3 | 133.4 | 120.8 | 21.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 196 | T | 42.3 | Very low | 43.7 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -3.4 | 124.5 | 160.3 | 47.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 197 | D | 30.5 | Very low | 44.4 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | -177.6 | 118.5 | 112.8 | -85.3 | -24.7 | 0 | 0 | 0 | 112.4 | |||||
| 198 | H | 36.6 | Very low | 45.6 | Very low | 162 Ų | 162 | 145 Ų | 145 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | trans | -6 | 146.3 | 140.3 | -78.1 | -43.9 | 0 | 0 | 0 | 117.9 | ||||
| 199 | H | 38.1 | Very low | 46.7 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | cis | -174.4 | 152.8 | 21.7 | -115.1 | 106.7 | 0 | 0 | 0 | 107.9 | ||||
| 200 | G | 49.8 | Very low | 47.8 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | trans | 127.5 | 40.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 201 | Q | 43.8 | Very low | 48.6 | Very low | 192 Ų | 192 | 137.9 Ų | 137.9 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -118.1 | 108.6 | 158.6 | -157.2 | 165.3 | -5.4 | 0 | 0 | 108.5 | D203 | Q201-D203 VanDerWaalsContact C-N 3.32Å; Q201-D203 PolarHBondContact O-N 3.27Å | ||
| 202 | D | 58.2 | Low | 49.5 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -72.4 | 82.9 | -173.4 | -147.5 | 5.8 | 0 | 0 | 0 | 109 | M204 | D202-M204 PolarHBondContact O-N 3.25Å; D202-M204 VanDerWaalsContact O-N 3.11Å | ||
| 203 | D | 67.1 | Low | 50 | Low | 96 Ų | 96 | 137.1 Ų | 137.1 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | trans | -81.7 | 86.4 | 177.4 | -168.3 | 4.8 | 0 | 0 | 0 | 109.2 | Q201 N205 N206 | Q201-D203 VanDerWaalsContact C-N 3.32Å; Q201-D203 PolarHBondContact O-N 3.27Å; D203-N205 PolarHBondContact O-N 3.27Å; D203-N205 WeakPolarHBondContact OD1-CB 3.43Å; D203-N205 PolarHBondContact OD1-N 3.42Å; D203-N206 HydrophobicContact CB-CB 4.37Å; D203-N206 WeakPolarHBondContact O-CB 3.26Å; D203-N206 PolarHBondContact O-N 2.9Å | ||
| 204 | M | 64.4 | Low | 50.7 | Low | 151 Ų | 151 | 134 Ų | 134 | 74% | 0.744 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -51 | -22.7 | 172.5 | -88.7 | -170.5 | -70.9 | 0 | 0 | 112.8 | D202 N206 | D202-M204 PolarHBondContact O-N 3.25Å; D202-M204 VanDerWaalsContact O-N 3.11Å; M204-N206 VanDerWaalsContact C-N 3.3Å; M204-N206 PolarHBondContact O-N 2.93Å |
| 205 | N | 54.3 | Low | 51.2 | Low | 108 Ų | 108 | 136.8 Ų | 136.8 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -75 | -21.5 | -179.3 | -140.6 | 32.7 | 0 | 0 | 0 | 112.7 | D203 S209 | D203-N205 PolarHBondContact O-N 3.27Å; D203-N205 WeakPolarHBondContact OD1-CB 3.43Å; D203-N205 PolarHBondContact OD1-N 3.42Å; N205-S209 PolarHBondContact O-N 3.03Å; N205-S209 PolarHBondContact O-OG 3.49Å |
| 206 | N | 64.7 | Low | 51.4 | Low | 89 Ų | 89 | 135.4 Ų | 135.4 | 48% | 0.476 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -75.7 | -36.2 | 178.7 | -161.4 | -8.1 | 0 | 0 | 0 | 111.9 | D203 M204 I208 S209 Q210 | D203-N206 HydrophobicContact CB-CB 4.37Å; D203-N206 WeakPolarHBondContact O-CB 3.26Å; D203-N206 PolarHBondContact O-N 2.9Å; M204-N206 VanDerWaalsContact C-N 3.3Å; M204-N206 PolarHBondContact O-N 2.93Å; N206-I208 PolarHBondContact O-N 3.4Å; N206-S209 PolarHBondContact O-N 3.48Å; N206-Q210 PolarHBondContact O-N 3.12Å |
| 207 | Y | 57.6 | Low | 51.2 | Low | 169 Ų | 169 | 135.4 Ų | 135.4 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -65 | -38.3 | 174.8 | -94.2 | -81.4 | 0 | 0 | 0 | 112.9 | S209 | Y207-S209 VanDerWaalsContact C-N 3.34Å |
| 208 | I | 57.8 | Low | 51.6 | Low | 99 Ų | 99 | 135.5 Ų | 135.5 | 51% | 0.508 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -69.3 | -37.3 | 179.8 | -61.6 | 170.3 | 0 | 0 | 0 | 110.3 | N206 Q210 Y211 Y212 | N206-I208 PolarHBondContact O-N 3.4Å; I208-Q210 PolarHBondContact O-N 3.03Å; I208-Y211 PolarHBondContact O-N 3.46Å; I208-Y212 HydrophobicContact CG2-CD2 4.23Å; I208-Y212 WeakPolarHBondContact O-CD2 3.27Å; I208-Y212 PolarHBondContact O-N 3.28Å |
| 209 | S | 61.7 | Low | 51.5 | Low | 57 Ų | 57 | 137 Ų | 137 | 40% | 0.399 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -70.4 | -30.2 | -177.7 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | N205 N206 Y207 S213 | N205-S209 PolarHBondContact O-N 3.03Å; N205-S209 PolarHBondContact O-OG 3.49Å; N206-S209 PolarHBondContact O-N 3.48Å; Y207-S209 VanDerWaalsContact C-N 3.34Å; S209-S213 WeakPolarHBondContact O-CB 3.49Å; S209-S213 PolarHBondContact O-N 2.84Å; S209-S213 PolarHBondContact O-OG 3.36Å |
| 210 | Q | 59.8 | Low | 51.2 | Low | 141 Ų | 141 | 132.1 Ų | 132.1 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -73.5 | -27.1 | 176.8 | -74.4 | -179.7 | 12.6 | 0 | 0 | 113.7 | N206 I208 | N206-Q210 PolarHBondContact O-N 3.12Å; I208-Q210 PolarHBondContact O-N 3.03Å |
| 211 | Y | 50.9 | Low | 50.7 | Low | 208 Ų | 208 | 136.4 Ų | 136.4 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -87.1 | -19.6 | -179 | -106.4 | -88.3 | 0 | 0 | 0 | 114.1 | I208 | I208-Y211 PolarHBondContact O-N 3.46Å |
| 212 | Y | 57.3 | Low | 51.5 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -113.6 | -3.6 | -176.6 | -74.7 | -79.9 | 0 | 0 | 0 | 114.8 | I208 | I208-Y212 HydrophobicContact CG2-CD2 4.23Å; I208-Y212 WeakPolarHBondContact O-CD2 3.27Å; I208-Y212 PolarHBondContact O-N 3.28Å |
| 213 | S | 52.2 | Low | 50.3 | Low | 91 Ų | 91 | 133.1 Ų | 133.1 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -105.1 | 67 | -178.6 | -48.7 | 0 | 0 | 0 | 0 | 113 | S209 | S209-S213 WeakPolarHBondContact O-CB 3.49Å; S209-S213 PolarHBondContact O-N 2.84Å; S209-S213 PolarHBondContact O-OG 3.36Å | ||
| 214 | E | 49.2 | Very low | 49.3 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -137.5 | 124.7 | 146.3 | -91 | -155.4 | 107 | 0 | 0 | 106.3 | ||||
| 215 | P | 46.9 | Very low | 48.4 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 72% | 0.722 | S | S | * | * | -151.1 | 136.6 | 68.4 | 34.4 | -13.8 | 0 | 0 | 0 | 115.7 | |||||
| 216 | S | 37.3 | Very low | 47.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | 177.6 | 122.7 | 141.4 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 217 | S | 38 | Very low | 46.8 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 174.6 | 84.4 | 135.7 | -71.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 218 | D | 37.4 | Very low | 45.9 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 65.3 | 97.7 | 89.7 | -166.4 | 23.3 | 0 | 0 | 0 | 114.3 | |||||
| 219 | M | 35.5 | Very low | 45.1 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 96% | 0.956 | 76% | 0.76 | S | S | * | * | trans | -167.1 | 111.6 | 130.8 | -130.5 | 156.6 | 57.3 | 0 | 0 | 111.6 | ||||
| 220 | G | 31.9 | Very low | 44.3 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 124.4 | 110.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 221 | I | 38.6 | Very low | 43.6 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -77.1 | 179.7 | -173 | -23.2 | 178.4 | 0 | 0 | 0 | 113.4 | ||||
| 222 | P | 59.9 | Low | 43 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -121.3 | 167 | -107.1 | 41.7 | -23.8 | 0 | 0 | 0 | 115.1 | |||||
| 223 | D | 33.7 | Very low | 42.3 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -170.4 | 153.7 | 134.8 | -133.3 | 20 | 0 | 0 | 0 | 112.4 | ||||
| 224 | P | 47.3 | Very low | 41.8 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -93.6 | 159.9 | -160 | 38.8 | -35.4 | 0 | 0 | 0 | 112.7 | ||||
| 225 | A | 45.2 | Very low | 41.5 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 114.5 | 84.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 226 | R | 38.8 | Very low | 41.2 | Very low | 222 Ų | 222 | 136.1 Ų | 136.1 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -153.7 | 90.9 | 144.1 | -118.5 | 166.2 | -140.8 | -109.2 | 3.3 | 111 | I228 | R226-I228 HydrophobicContact CB-CD1 4.4Å; R226-I228 HydrophobicContact CB-CG1 4.28Å; R226-I228 HydrophobicContact CG-CD1 4.14Å; R226-I228 HydrophobicContact CG-CG1 4.16Å; R226-I228 PolarHBondContact O-N 2.94Å | ||
| 227 | V | 45.6 | Very low | 41.3 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -48.8 | 118.4 | 147.3 | 174.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 228 | I | 39.8 | Very low | 41.3 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | trans | -139.5 | 96.4 | 164.5 | -56 | -177.8 | 0 | 0 | 0 | 109.2 | R226 | R226-I228 HydrophobicContact CB-CD1 4.4Å; R226-I228 HydrophobicContact CB-CG1 4.28Å; R226-I228 HydrophobicContact CG-CD1 4.14Å; R226-I228 HydrophobicContact CG-CG1 4.16Å; R226-I228 PolarHBondContact O-N 2.94Å | ||
| 229 | T | 39.4 | Very low | 40.9 | Very low | 117 Ų | 117 | 139 Ų | 139 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | trans | 9 | 119 | 138.2 | 37.1 | 0 | 0 | 0 | 0 | 118.5 | A231 | T229-A231 PolarHBondContact O-N 2.94Š| ||
| 230 | T | 46.1 | Very low | 40.7 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -69.3 | 109.9 | 161.9 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 231 | A | 45.1 | Very low | 40.8 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -146.3 | 131.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | T229 | T229-A231 PolarHBondContact O-N 2.94Š| ||
| 232 | A | 37.8 | Very low | 40.4 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 67.6 | 99.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 233 | I | 42.3 | Very low | 39 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 102.6 | 154.2 | -61.2 | 172.4 | 0 | 0 | 0 | 106.1 | ||||
| 234 | D | 43 | Very low | 39.1 | Very low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 138.2 | 170.3 | -168.9 | 17.7 | 0 | 0 | 0 | 109.5 | ||
| 235 | V | 42.4 | Very low | 38.7 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 125.6 | -169.9 | 175 | 0 | 0 | 0 | 0 | 109.7 | ||
| 236 | H | 40.1 | Very low | 37.8 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 132.5 | -178.1 | -74 | -95.4 | 0 | 0 | 0 | 115.4 | ||
| 237 | L | 39.1 | Very low | 37.3 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 136.6 | 158.2 | -165.5 | 74.3 | 0 | 0 | 0 | 109.2 | ||
| 238 | P | 38.6 | Very low | 36.7 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 118.4 | -179.6 | 32.1 | -28.8 | 0 | 0 | 0 | 111 | ||
| 239 | N | 29.3 | Very low | 36.2 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -118.8 | 124.7 | 167.8 | -160.5 | 11.7 | 0 | 0 | 0 | 109.8 | ||||
| 240 | N | 30 | Very low | 35.7 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -102.3 | 124.6 | -175.5 | -163.7 | -28 | 0 | 0 | 0 | 108.5 | ||||
| 241 | P | 35.2 | Very low | 35 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -100.2 | 109.4 | -178.3 | 34.7 | -25.8 | 0 | 0 | 0 | 110.9 | ||||
| 242 | S | 30.6 | Very low | 34.3 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | -149.3 | 129 | 154.9 | 64.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 243 | Q | 30.4 | Very low | 33.9 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | 93.2 | 93.1 | 168.3 | -50 | -175.6 | 14.1 | 0 | 0 | 116.6 | ||||
| 244 | L | 36 | Very low | 33.3 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 152.4 | 146.9 | -87 | 159.9 | 0 | 0 | 0 | 108.6 | ||||
| 245 | P | 37.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | -141.3 | 145.3 | 94 | 33.6 | -16.9 | 0 | 0 | 0 | 116.4 | |||||
| 246 | S | 27.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 40.6 | 126.4 | 136.7 | -50.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 247 | T | 26.9 | Very low | 32.4 | Very low | 130 Ų | 130 | 126 Ų | 126 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | 174.7 | 144.2 | 106.2 | 35.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 248 | L | 33.5 | Very low | 31.9 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 82.6 | 102.6 | 163.8 | -47.4 | -174.3 | 0 | 0 | 0 | 117.5 | ||||
| 249 | V | 30.4 | Very low | 31.6 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | 69.8 | 125.7 | 78.2 | 167.9 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 250 | S | 28.1 | Very low | 31.5 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | cis | -168.8 | 165 | 18.6 | -149.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 251 | A | 32.2 | Very low | 31.4 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | trans | 71.6 | 134.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 252 | D | 28.6 | Very low | 31.1 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | cis | -156.4 | 154.6 | 11.9 | -140.5 | -19.5 | 0 | 0 | 0 | 110.7 | ||||
| 253 | A | 30.9 | Very low | 31 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | -89.6 | 138.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 254 | A | 28.3 | Very low | 31 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | 13.5 | 175.1 | 132 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 255 | P | 49.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | cis | -140.1 | -164.4 | -24.7 | 25.2 | 0.5 | 0 | 0 | 0 | 113.7 | ||||
| 256 | S | 29.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 82.7 | 144 | 153.7 | -93.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 257 | S | 28.4 | Very low | 30.7 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | -174.9 | 158.6 | 10.3 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 258 | R | 29.2 | Very low | 30.8 | Very low | 220 Ų | 220 | 129.3 Ų | 129.3 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | trans | 68.7 | 110.6 | 131.9 | -168.8 | 177.9 | -73.3 | -117.3 | 1.6 | 121.9 | ||||
| 259 | L | 31.4 | Very low | 30.7 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 47 | 126.9 | 129.8 | -91.7 | 96.1 | 0 | 0 | 0 | 123.2 | |||||
| 260 | Q | 27.7 | Very low | 30.7 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | 84.6 | 125.1 | 126.2 | -151.7 | 177.9 | 40.9 | 0 | 0 | 118.8 | |||||
| 261 | R | 27.9 | Very low | 30.8 | Very low | 196 Ų | 196 | 125.7 Ų | 125.7 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | 142.4 | 110.5 | 119 | -175.5 | 170.4 | -56.8 | 144.4 | 4.7 | 115.6 | |||||
| 262 | T | 28.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 53.1 | 152.7 | 134.5 | 69.8 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 263 | S | 28.6 | Very low | 30.8 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 90.3 | 137.4 | 146.9 | 73.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 264 | S | 30.3 | Very low | 31 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | cis | -174.7 | 126.5 | 17.6 | 34 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 265 | S | 30.3 | Very low | 31 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | 72.8 | 124.6 | 99.2 | 79.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 266 | V | 32.4 | Very low | 30.1 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | 170.6 | 111.2 | 115.5 | -82 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 267 | S | 31.3 | Very low | 30 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | 74.7 | 115.3 | 64.6 | -69.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 268 | E | 30.3 | Very low | 30.1 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | 166 | 102.4 | 130.6 | -91.4 | 179.3 | 172.5 | 0 | 0 | 107.6 | ||||
| 269 | A | 30.3 | Very low | 30.1 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | 71.4 | 108.4 | 62.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 270 | S | 30.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | 178.8 | 108.5 | 128.5 | -80.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 271 | T | 30.4 | Very low | 30.2 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | 90 | 98.3 | 101.7 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 272 | T | 30.7 | Very low | 30.3 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | 90.7 | 117.4 | 85.6 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 273 | A | 31.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | 168.5 | 101.7 | 131.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 274 | V | 34 | Very low | 30.4 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | 67.4 | 97.7 | 80 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 275 | S | 28.4 | Very low | 30.2 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | 159.2 | 119.4 | 112.9 | -84.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 276 | R | 30.9 | Very low | 30.2 | Very low | 223 Ų | 223 | 131.4 Ų | 131.4 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | 75.4 | 103.5 | 104.2 | -63.1 | 173.6 | 88.3 | 130.4 | 5.7 | 112.5 | |||||
| 277 | S | 27.2 | Very low | 30 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | 62.9 | 128.9 | 86.4 | 85.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 278 | S | 29.5 | Very low | 30 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 44% | 0.441 | 74% | 0.739 | S | S | . | * | cis | 162.1 | 177.2 | 26.8 | 25.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 279 | F | 30.2 | Very low | 30.2 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | trans | 76.7 | 147.1 | 157.7 | -30.9 | -66.6 | 0 | 0 | 0 | 115.7 | ||||
| 280 | S | 30.2 | Very low | 30.3 | Very low | 103 Ų | 103 | 129.3 Ų | 129.3 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | cis | -178.8 | 149.4 | -0.3 | 151.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 281 | A | 31.1 | Very low | 30.4 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | 62.3 | 154.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 282 | R | 29.5 | Very low | 30.3 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | cis | 178.3 | 138.8 | -15.4 | 173.2 | 174.7 | -174.9 | -177.1 | 3.4 | 104.3 | ||||
| 283 | Q | 29.8 | Very low | 30.3 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | 63.3 | 125.7 | 155.8 | -73.1 | 166.6 | -21.9 | 0 | 0 | 119.7 | ||||
| 284 | H | 29.3 | Very low | 30.2 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 91% | 0.912 | 74% | 0.742 | S | S | * | * | -163.7 | 150.2 | 106.3 | -88.8 | -71.2 | 0 | 0 | 0 | 109.6 | |||||
| 285 | S | 27.1 | Very low | 30.4 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -107.1 | 158.3 | -154.2 | -52.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 286 | I | 30.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | 70.7 | 110.9 | 149.8 | -53.4 | 141.4 | 0 | 0 | 0 | 118.6 | ||||
| 287 | S | 28.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | 178.5 | 136.8 | 112.5 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 288 | S | 31.7 | Very low | 30.4 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -43.1 | 161.2 | 175.9 | -48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 289 | H | 32.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 132.6 Ų | 132.6 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | -165.4 | 141.4 | 49.7 | -38.8 | -92.4 | 0 | 0 | 0 | 110.2 | ||||
| 290 | T | 33.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 10.7 | 113.8 | 154.8 | 68.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 291 | L | 31.2 | Very low | 30.4 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | trans | -164.5 | 145.4 | 150.1 | -148.7 | 78.3 | 0 | 0 | 0 | 112.7 | ||||
| 292 | G | 28.9 | Very low | 30.4 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 108.7 | 132.9 | 164 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 293 | S | 31 | Very low | 30.5 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -160 | 141.9 | 27.9 | 49.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 294 | S | 30.2 | Very low | 30.3 | Very low | 95 Ų | 95 | 134.9 Ų | 134.9 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | 60.6 | 125.8 | 71.2 | -155.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 295 | M | 37.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | cis | -158.5 | 137.2 | 48.5 | -76.5 | 158.1 | 54 | 0 | 0 | 108.3 | ||||
| 296 | D | 28.5 | Very low | 30.5 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | 74.9 | 103 | 73.2 | -72.9 | -28.3 | 0 | 0 | 0 | 117.3 | |||||
| 297 | C | 28.9 | Very low | 30.5 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 0.6 | 135.6 | 137 | -36 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 298 | S | 28.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -175.7 | 139.3 | 119.6 | -83.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 299 | S | 28.7 | Very low | 30.4 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -80 | 151.1 | 170.1 | 77.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 300 | T | 30.2 | Very low | 30.3 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -145.7 | 125.7 | 145.5 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 301 | V | 31.2 | Very low | 30.3 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | trans | -78.4 | 132.7 | 160.9 | 162.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 302 | R | 31.5 | Very low | 30.3 | Very low | 212 Ų | 212 | 134.7 Ų | 134.7 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -174.3 | 128.2 | 132.9 | -111.3 | -171.6 | -98.7 | -155.6 | -4.3 | 114.7 | ||||
| 303 | E | 30.8 | Very low | 30.3 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 48.9 | 115.9 | 134.2 | -67.8 | 172.2 | 153.2 | 0 | 0 | 120.2 | ||||
| 304 | A | 27.2 | Very low | 30.3 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -123.5 | 126.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 305 | S | 30.1 | Very low | 30.3 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -162.3 | 125.1 | 167.2 | -80.3 | 0 | 0 | 0 | 0 | 101.9 | ||||
| 306 | T | 30.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | cis | -170.9 | 142.8 | 30 | 33.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 307 | S | 30.3 | Very low | 31 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -173.4 | 118.3 | 134.7 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 308 | T | 30.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -54.5 | 134.2 | 162.9 | -40.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 309 | D | 28.3 | Very low | 31.9 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -154.3 | 139.7 | 133.9 | -133.7 | -16.5 | 0 | 0 | 0 | 112.7 | ||||
| 310 | Y | 29.9 | Very low | 32 | Very low | 208 Ų | 208 | 152 Ų | 152 | 82% | 0.816 | 82% | 0.817 | S | S | * | * | trans | -79 | 135.9 | -177.9 | -98.2 | -103.4 | 0 | 0 | 0 | 110.3 | ||||
| 311 | S | 34.4 | Very low | 32 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -162.4 | 130.9 | 141.2 | -83.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 312 | D | 29.8 | Very low | 32 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | -79.7 | 118.4 | -172 | -171.3 | 6.7 | 0 | 0 | 0 | 110.8 | ||||
| 313 | Q | 29.1 | Very low | 32.2 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -151.9 | 122.7 | 162.5 | -137.6 | 100.3 | 98.6 | 0 | 0 | 111.9 | ||||
| 314 | R | 31.5 | Very low | 32.2 | Very low | 200 Ų | 200 | 144.3 Ų | 144.3 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -60.6 | 133.3 | -175.1 | -59.8 | -167.9 | -179.9 | 177.1 | 2.5 | 113.4 | ||||
| 315 | C | 30.5 | Very low | 32.5 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -134.2 | 119.5 | 153.4 | -86 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 316 | Y | 35.3 | Very low | 32.5 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.9 | 172.5 | -74.4 | -95 | 0 | 0 | 0 | 111.1 | ||
| 317 | P | 44.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 143.7 | 166 | 32.5 | -30 | 0 | 0 | 0 | 110.6 | ||
| 318 | P | 38.1 | Very low | 32.9 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 152.4 | 171 | 31 | -30.8 | 0 | 0 | 0 | 111.1 | ||
| 319 | P | 38.6 | Very low | 32.9 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84 | 133 | -162.9 | 32.4 | -32.9 | 0 | 0 | 0 | 112.7 | S321 | P319-S321 PolarHBondContact O-N 3.01Š|
| 320 | Y | 30.5 | Very low | 33.2 | Very low | 236 Ų | 236 | 143.9 Ų | 143.9 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 123.2 | 158.4 | -90.4 | -95.7 | 0 | 0 | 0 | 109.1 | ||
| 321 | S | 29.8 | Very low | 33.6 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -99.2 | 113 | 164.4 | -64.3 | 0 | 0 | 0 | 0 | 108.6 | P319 | P319-S321 PolarHBondContact O-N 3.01Š| ||
| 322 | S | 30.8 | Very low | 33.5 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | -104.5 | 146.2 | 155.9 | -164.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 323 | P | 35.6 | Very low | 33.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -132.8 | 121.6 | 130.6 | 31.2 | -17.9 | 0 | 0 | 0 | 111.5 | ||||
| 324 | L | 31 | Very low | 34.5 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -79 | 123.6 | 151.9 | -106.3 | 89.4 | 0 | 0 | 0 | 108.6 | ||||
| 325 | A | 33.5 | Very low | 35.3 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -170.2 | 97.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 326 | L | 31.1 | Very low | 36 | Very low | 178 Ų | 178 | 130 Ų | 130 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -174.7 | 119.2 | 139.2 | -129.4 | 69.7 | 0 | 0 | 0 | 112.4 | ||||
| 327 | G | 28.2 | Very low | 36.7 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | 73 | 134.3 | 132.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 328 | P | 39.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -76.9 | 132.1 | 172.9 | 32.9 | -29.8 | 0 | 0 | 0 | 110.1 | ||||
| 329 | Q | 30.4 | Very low | 37.7 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | -125.4 | 142.7 | 165.6 | -89.7 | -74.5 | 76.5 | 0 | 0 | 110.8 | ||||
| 330 | P | 34.6 | Very low | 38.2 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | trans | -84.3 | 155.2 | -165.8 | 34.5 | -34.9 | 0 | 0 | 0 | 112.8 | G332 | P330-G332 PolarHBondContact O-N 2.71Š| ||
| 331 | R | 39.4 | Very low | 38.8 | Very low | 259 Ų | 259 | 120.8 Ų | 120.8 | 98% | 0.977 | 72% | 0.72 | S | S | * | * | trans | -42.6 | 126.3 | 163.2 | -89.5 | 178 | 164.7 | 173.7 | -5.5 | 112 | ||||
| 332 | G | 32.7 | Very low | 39.4 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -136.5 | 115.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P330 | P330-G332 PolarHBondContact O-N 2.71Š| ||
| 333 | S | 36.3 | Very low | 39.5 | Very low | 82 Ų | 82 | 125 Ų | 125 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | trans | -64.4 | 146.5 | -178.6 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | S335 | S333-S335 PolarHBondContact O-N 3.02Š| ||
| 334 | P | 43.8 | Very low | 39.5 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 11.5 | 177.6 | 31 | -34.7 | 0 | 0 | 0 | 114.7 | ||
| 335 | S | 47.3 | Very low | 39.7 | Very low | 75 Ų | 75 | 123.5 Ų | 123.5 | 52% | 0.524 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -84.9 | -17.8 | -171.9 | -170.9 | 0 | 0 | 0 | 0 | 114.6 | S333 | S333-S335 PolarHBondContact O-N 3.02Å |
| 336 | T | 45.6 | Very low | 39.9 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 59% | 0.589 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -82.8 | -32.8 | -173.2 | 2.7 | 0 | 0 | 0 | 0 | 113 | V338 Q339 E340 | T336-V338 VanDerWaalsContact C-N 3.34Å; T336-V338 PolarHBondContact O-N 3.42Å; T336-Q339 PolarHBondContact O-N 3.43Å; T336-E340 PolarHBondContact O-N 3.36Å |
| 337 | V | 49 | Very low | 40.5 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 60% | 0.6 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.4 | -31.2 | -178.5 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | L341 | V337-L341 WeakPolarHBondContact O-CG 3.34Å; V337-L341 PolarHBondContact O-N 2.88Å |
| 338 | V | 54.5 | Low | 40.7 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 53% | 0.533 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -75.7 | -30.9 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | T336 L342 | T336-V338 VanDerWaalsContact C-N 3.34Å; T336-V338 PolarHBondContact O-N 3.42Å; V338-L342 HydrophobicContact CG1-CD1 4.2Å; V338-L342 WeakPolarHBondContact O-CG 3.4Å; V338-L342 PolarHBondContact O-N 3.49Å |
| 339 | Q | 49.8 | Very low | 40.5 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 58% | 0.584 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.3 | -30.4 | 179.3 | -130.9 | 165.7 | 24.5 | 0 | 0 | 112.7 | T336 L342 Y343 | T336-Q339 PolarHBondContact O-N 3.43Å; Q339-L342 PolarHBondContact O-N 3.05Å; Q339-Y343 PolarHBondContact O-N 2.91Å; Q339-Y343 VanDerWaalsContact O-N 3.1Å |
| 340 | E | 48.3 | Very low | 40.6 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -71.4 | -37 | 174.5 | -127.5 | -167.1 | -177.6 | 0 | 0 | 112.6 | T336 L342 Y343 S344 | T336-E340 PolarHBondContact O-N 3.36Å; E340-L342 VanDerWaalsContact C-N 3.31Å; E340-L342 PolarHBondContact O-N 2.78Å; E340-Y343 PolarHBondContact O-N 3.09Å; E340-S344 PolarHBondContact O-N 3.21Å; E340-S344 PolarHBondContact O-OG 3.43Å |
| 341 | L | 44.8 | Very low | 40.4 | Very low | 121 Ų | 121 | 128 Ų | 128 | 63% | 0.634 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -71.2 | -26.4 | 176 | -68.4 | 174.5 | 0 | 0 | 0 | 112.8 | V337 | V337-L341 WeakPolarHBondContact O-CG 3.34Å; V337-L341 PolarHBondContact O-N 2.88Å |
| 342 | L | 41.9 | Very low | 39.9 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -84.3 | -25.8 | 175 | -69.7 | 174 | 0 | 0 | 0 | 113.1 | V338 Q339 E340 | V338-L342 HydrophobicContact CG1-CD1 4.2Å; V338-L342 WeakPolarHBondContact O-CG 3.4Å; V338-L342 PolarHBondContact O-N 3.49Å; Q339-L342 PolarHBondContact O-N 3.05Å; E340-L342 VanDerWaalsContact C-N 3.31Å; E340-L342 PolarHBondContact O-N 2.78Å |
| 343 | Y | 33.3 | Very low | 39.8 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -73.6 | -27.9 | 174.9 | -111.9 | -93.2 | 0 | 0 | 0 | 113.2 | Q339 E340 L345 | Q339-Y343 PolarHBondContact O-N 2.91Å; Q339-Y343 VanDerWaalsContact O-N 3.1Å; E340-Y343 PolarHBondContact O-N 3.09Å; Y343-L345 VanDerWaalsContact C-N 3.3Å; Y343-L345 PolarHBondContact O-N 2.93Å |
| 344 | S | 34.7 | Very low | 39.4 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -4.1 | -179.7 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | E340 | E340-S344 PolarHBondContact O-N 3.21Å; E340-S344 PolarHBondContact O-OG 3.43Å |
| 345 | L | 36.1 | Very low | 38.6 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 5.1 | 176.9 | -76.4 | 168.2 | 0 | 0 | 0 | 113.5 | Y343 | Y343-L345 VanDerWaalsContact C-N 3.3Å; Y343-L345 PolarHBondContact O-N 2.93Å |
| 346 | S | 37.5 | Very low | 37.8 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -100.9 | -1.8 | -176.4 | -172.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 347 | E | 42.3 | Very low | 37 | Very low | 179 Ų | 179 | 137.7 Ų | 137.7 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -103.5 | 17.8 | -172.7 | -85.7 | -164.2 | 121.3 | 0 | 0 | 116.2 | ||
| 348 | D | 34 | Very low | 37 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | trans | -120.9 | 67.5 | 171.9 | -84 | -41.9 | 0 | 0 | 0 | 111.9 | ||||
| 349 | S | 35.1 | Very low | 36 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -163.2 | 82.3 | 159.2 | -92.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 350 | C | 30.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -176.2 | 123.5 | 139.8 | 37.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 351 | L | 30.7 | Very low | 34.1 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | 165.4 | 88.9 | 129.6 | -83.6 | 178.6 | 0 | 0 | 0 | 110.1 | |||||
| 352 | T | 29.8 | Very low | 33.3 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -129.6 | 102.8 | 151.1 | 26.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 353 | Q | 29.7 | Very low | 33.5 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -176.4 | 125 | 132.1 | -109.9 | -177.8 | 13.5 | 0 | 0 | 113.5 | ||||
| 354 | K | 29 | Very low | 34.1 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | 78 | 114.5 | 128.4 | -152.9 | 168 | -173.1 | 177.6 | 0 | 118.6 | |||||
| 355 | G | 25.4 | Very low | 33.7 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 166.9 | 89.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 356 | L | 31.2 | Very low | 33.9 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | 59.9 | 118.8 | 140.4 | -61.6 | 162.3 | 0 | 0 | 0 | 121.1 | ||||
| 357 | D | 29.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 157.9 | 149.5 | -148.8 | 15.6 | 0 | 0 | 0 | 108.9 | ||||
| 358 | P | 49.1 | Very low | 32.9 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | -147.3 | 168.9 | 54.5 | 33.2 | -9.2 | 0 | 0 | 0 | 116.8 | |||||
| 359 | V | 32 | Very low | 32.7 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | 162.4 | 118.5 | 123.2 | 163.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 360 | N | 27.9 | Very low | 32.5 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 18.9 | 131.5 | 146.6 | -68.7 | -88.9 | 0 | 0 | 0 | 119.3 | ||||
| 361 | L | 30.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | -162.5 | 150.3 | 70 | -78.5 | 163.8 | 0 | 0 | 0 | 112.8 | |||||
| 362 | K | 28.8 | Very low | 33.3 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -101.7 | 175.3 | 177 | -161.8 | 46 | -177.8 | -171.7 | 0 | 108.7 | ||||
| 363 | P | 47.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 79% | 0.785 | S | S | * | * | -113.9 | -161.7 | -101.6 | 42.9 | -20.1 | 0 | 0 | 0 | 111.9 | |||||
| 364 | P | 44.1 | Very low | 34.3 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | -143.7 | 167.5 | 68.2 | 32.9 | -10.3 | 0 | 0 | 0 | 116.2 | |||||
| 365 | S | 27.9 | Very low | 35.3 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -70.9 | 169.3 | 173.2 | -44.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 366 | P | 40.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | -141.6 | 139 | 93.9 | 34.6 | -18.1 | 0 | 0 | 0 | 116.1 | |||||
| 367 | T | 30.5 | Very low | 37.1 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | 29.8 | 118.2 | 139.3 | -40.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 368 | G | 28 | Very low | 37.9 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | 164.9 | 91.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 369 | S | 30 | Very low | 38.1 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 73.1 | 127.7 | 143.5 | -154.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 370 | T | 30.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | 70.2 | 98.3 | 145.8 | 35.2 | 0 | 0 | 0 | 0 | 120.1 | T372 | T370-T372 PolarHBondContact O-N 3.4Š| ||
| 371 | K | 43.3 | Very low | 40.6 | Very low | 214 Ų | 214 | 131.4 Ų | 131.4 | 93% | 0.93 | 73% | 0.728 | S | S | * | * | trans | -17.2 | 115.4 | 149.7 | -58.2 | 174.7 | 178 | 173.7 | 0 | 115.4 | ||||
| 372 | T | 34.1 | Very low | 42.1 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 86% | 0.859 | 71% | 0.712 | S | S | * | * | trans | -140 | 138.5 | 150.2 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | T370 | T370-T372 PolarHBondContact O-N 3.4Š| ||
| 373 | S | 37.8 | Very low | 43 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | -79.4 | 135 | -165.8 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | E375 | S373-E375 PolarHBondContact O-N 3.37Å; S373-E375 VanDerWaalsContact O-N 3.09Å | ||
| 374 | P | 44.3 | Very low | 43 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -73.4 | 2.3 | -172.9 | 29.4 | -35 | 0 | 0 | 0 | 115.4 | ||
| 375 | E | 48.8 | Very low | 43.5 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 48% | 0.481 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -85.6 | -29.4 | -177.4 | -170.8 | 58.9 | -156 | 0 | 0 | 112.9 | S373 R379 | S373-E375 PolarHBondContact O-N 3.37Å; S373-E375 VanDerWaalsContact O-N 3.09Å; E375-R379 PolarHBondContact O-N 2.97Å |
| 376 | L | 45.8 | Very low | 44.5 | Very low | 138 Ų | 138 | 132 Ų | 132 | 72% | 0.723 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -76.9 | -35.7 | -176.6 | -155.4 | 84.6 | 0 | 0 | 0 | 112.1 | R379 L380 | L376-R379 PolarHBondContact O-N 2.79Å; L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 PolarHBondContact O-N 3.13Å; L376-L380 VanDerWaalsContact O-N 3.11Å |
| 377 | E | 48.9 | Very low | 44.5 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 71% | 0.71 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.4 | -36 | -180 | -166.6 | 169.4 | -169.2 | 0 | 0 | 111.5 | N381 | E377-N381 VanDerWaalsContact O-CB 3.27Å; E377-N381 WeakPolarHBondContact O-CB 3.5Å; E377-N381 PolarHBondContact O-N 3.02Å |
| 378 | R | 46.3 | Very low | 45.3 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 61% | 0.611 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -67.2 | -41.9 | 176.2 | -166.8 | -175.3 | -65.8 | 177.4 | -0.6 | 112.1 | N381 I382 | R378-N381 PolarHBondContact O-N 3Å; R378-I382 HydrophobicContact CG-CD1 4.24Å; R378-I382 WeakPolarHBondContact O-CD1 3.43Å; R378-I382 VanDerWaalsContact O-CG1 3.25Å; R378-I382 WeakPolarHBondContact O-CG1 3.21Å; R378-I382 PolarHBondContact O-N 2.96Å; R378-I382 VanDerWaalsContact O-N 3.12Å |
| 379 | R | 53.7 | Low | 46.2 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.4 | -36.6 | 179.1 | -70.8 | 179.5 | 72 | 170.8 | 1.6 | 112.4 | E375 L376 Y383 | E375-R379 PolarHBondContact O-N 2.97Å; L376-R379 PolarHBondContact O-N 2.79Å; R379-Y383 PolarHBondContact O-N 2.89Å |
| 380 | L | 53.3 | Low | 46.7 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.9 | -34.7 | 177.1 | -161.5 | 132.2 | 0 | 0 | 0 | 112 | L376 Y383 N384 | L376-L380 WeakPolarHBondContact O-CB 3.33Å; L376-L380 PolarHBondContact O-N 3.13Å; L376-L380 VanDerWaalsContact O-N 3.11Å; L380-Y383 PolarHBondContact O-N 3.43Å; L380-N384 WeakPolarHBondContact O-CB 3.25Å; L380-N384 PolarHBondContact O-N 3.34Å |
| 381 | N | 58.3 | Low | 47.1 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 58% | 0.578 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.1 | -36.8 | 176.3 | -155.6 | -17.4 | 0 | 0 | 0 | 112.2 | E377 R378 Y383 N384 K385 | E377-N381 VanDerWaalsContact O-CB 3.27Å; E377-N381 WeakPolarHBondContact O-CB 3.5Å; E377-N381 PolarHBondContact O-N 3.02Å; R378-N381 PolarHBondContact O-N 3Å; N381-Y383 PolarHBondContact O-N 2.69Å; N381-N384 PolarHBondContact O-N 2.99Å; N381-K385 WeakPolarHBondContact O-CB 3.48Å; N381-K385 PolarHBondContact O-N 3.38Å |
| 382 | I | 62.3 | Low | 47 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 56% | 0.559 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 173.6 | -67.4 | 163 | 0 | 0 | 0 | 111.4 | R378 R386 | R378-I382 HydrophobicContact CG-CD1 4.24Å; R378-I382 WeakPolarHBondContact O-CD1 3.43Å; R378-I382 VanDerWaalsContact O-CG1 3.25Å; R378-I382 WeakPolarHBondContact O-CG1 3.21Å; R378-I382 PolarHBondContact O-N 2.96Å; R378-I382 VanDerWaalsContact O-N 3.12Å; I382-R386 PolarHBondContact O-N 3.22Å |
| 383 | Y | 47.2 | Very low | 47.3 | Very low | 184 Ų | 184 | 126.4 Ų | 126.4 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72 | -34.4 | 178.9 | -144.3 | -88.8 | 0 | 0 | 0 | 112.4 | R379 L380 N381 N387 | R379-Y383 PolarHBondContact O-N 2.89Å; L380-Y383 PolarHBondContact O-N 3.43Å; N381-Y383 PolarHBondContact O-N 2.69Å; Y383-N387 PolarHBondContact O-N 3.03Å |
| 384 | N | 47.9 | Very low | 47.4 | Very low | 88 Ų | 88 | 129 Ų | 129 | 47% | 0.471 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73.2 | -39.7 | 176.5 | -158.4 | -19.5 | 0 | 0 | 0 | 112 | L380 N381 R386 N387 Q388 | L380-N384 WeakPolarHBondContact O-CB 3.25Å; L380-N384 PolarHBondContact O-N 3.34Å; N381-N384 PolarHBondContact O-N 2.99Å; N384-R386 PolarHBondContact O-N 3.03Å; N384-N387 PolarHBondContact O-N 3.03Å; N384-Q388 PolarHBondContact O-N 3.49Å; N384-Q388 VanDerWaalsContact O-N 3.1Å |
| 385 | K | 53.3 | Low | 46.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -42.5 | 175.8 | -171.4 | 179.7 | 177 | -171.5 | 0 | 112.3 | N381 N387 Q388 E389 | N381-K385 WeakPolarHBondContact O-CB 3.48Å; N381-K385 PolarHBondContact O-N 3.38Å; K385-N387 PolarHBondContact O-N 3.27Å; K385-Q388 PolarHBondContact O-N 2.81Å; K385-Q388 VanDerWaalsContact O-N 3.16Å; K385-E389 WeakPolarHBondContact CE-OE1 3.23Å; K385-E389 PolarHBondContact O-N 3.03Å; K385-E389 VanDerWaalsContact O-N 3.11Å |
| 386 | R | 49.2 | Very low | 46.2 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 73% | 0.725 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.8 | -26.4 | 177.4 | -161.3 | 173.4 | -169.8 | 153.7 | 2.9 | 113.1 | I382 N384 S390 | I382-R386 PolarHBondContact O-N 3.22Å; N384-R386 PolarHBondContact O-N 3.03Å; R386-S390 PolarHBondContact O-N 3.44Å |
| 387 | N | 41.7 | Very low | 45.4 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -87 | -15.4 | 177 | -137.9 | 1.9 | 0 | 0 | 0 | 113.2 | Y383 N384 K385 S390 R391 | Y383-N387 PolarHBondContact O-N 3.03Å; N384-N387 PolarHBondContact O-N 3.03Å; K385-N387 PolarHBondContact O-N 3.27Å; N387-S390 PolarHBondContact O-OG 3.27Å; N387-S390 VanDerWaalsContact O-OG 3.05Å; N387-S390 PolarHBondContact OD1-OG 3.42Å; N387-R391 WeakPolarHBondContact O-CG 3.46Å |
| 388 | Q | 46.8 | Very low | 44.9 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -81.3 | -38 | 167.6 | -74 | -177.5 | 15.2 | 0 | 0 | 111.3 | N384 K385 S390 R391 I392 | N384-Q388 PolarHBondContact O-N 3.49Å; N384-Q388 VanDerWaalsContact O-N 3.1Å; K385-Q388 PolarHBondContact O-N 2.81Å; K385-Q388 VanDerWaalsContact O-N 3.16Å; Q388-S390 VanDerWaalsContact C-N 3.31Å; Q388-S390 PolarHBondContact O-N 3.44Å; Q388-R391 PolarHBondContact O-N 3.2Å; Q388-I392 WeakPolarHBondContact O-CD1 3.48Å; Q388-I392 WeakPolarHBondContact O-CG1 3.43Å; Q388-I392 PolarHBondContact O-N 3.24Å |
| 389 | E | 45.9 | Very low | 44.1 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 53% | 0.528 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -64 | -34.3 | 175 | -73.7 | 166.4 | -176 | 0 | 0 | 112.3 | K385 R391 I392 | K385-E389 WeakPolarHBondContact CE-OE1 3.23Å; K385-E389 PolarHBondContact O-N 3.03Å; K385-E389 VanDerWaalsContact O-N 3.11Å; E389-R391 PolarHBondContact O-N 2.96Å; E389-I392 PolarHBondContact O-N 3.32Å |
| 390 | S | 40.4 | Very low | 43.2 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 51% | 0.51 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -16.4 | 173.2 | 68.2 | 0 | 0 | 0 | 0 | 114 | R386 N387 Q388 | R386-S390 PolarHBondContact O-N 3.44Å; N387-S390 PolarHBondContact O-OG 3.27Å; N387-S390 VanDerWaalsContact O-OG 3.05Å; N387-S390 PolarHBondContact OD1-OG 3.42Å; Q388-S390 VanDerWaalsContact C-N 3.31Å; Q388-S390 PolarHBondContact O-N 3.44Å |
| 391 | R | 40.9 | Very low | 41.9 | Very low | 203 Ų | 203 | 131.6 Ų | 131.6 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -10.6 | 178.7 | -75.5 | -176.3 | 168.6 | -169.1 | -2.6 | 114.2 | N387 Q388 E389 G393 | N387-R391 WeakPolarHBondContact O-CG 3.46Å; Q388-R391 PolarHBondContact O-N 3.2Å; E389-R391 PolarHBondContact O-N 2.96Å; R391-G393 VanDerWaalsContact C-N 3.32Å |
| 392 | I | 40.5 | Very low | 40.7 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -11.7 | 177.1 | -66.1 | 160.4 | 0 | 0 | 0 | 111.7 | Q388 E389 | Q388-I392 WeakPolarHBondContact O-CD1 3.48Å; Q388-I392 WeakPolarHBondContact O-CG1 3.43Å; Q388-I392 PolarHBondContact O-N 3.24Å; E389-I392 PolarHBondContact O-N 3.32Å |
| 393 | G | 41.2 | Very low | 39.1 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -2.3 | 179 | 0 | 0 | 0 | 0 | 0 | 116.9 | R391 | R391-G393 VanDerWaalsContact C-N 3.32Š|
| 394 | L | 39.2 | Very low | 38.1 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -132.7 | 79.5 | -178.4 | -82.5 | 161.8 | 0 | 0 | 0 | 110.6 | ||||
| 395 | H | 29.9 | Very low | 37.1 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | -110.1 | 60.6 | 163.1 | -149.5 | -73.3 | 0 | 0 | 0 | 110 | K397 | H395-K397 PolarHBondContact O-N 3.34Š| ||
| 396 | S | 37.7 | Very low | 36.2 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | trans | -68.1 | 105.5 | 156.7 | 41.7 | 0 | 0 | 0 | 0 | 107.7 | P398 | S396-P398 VanDerWaalsContact O-CD 3.26Å; S396-P398 WeakPolarHBondContact O-CD 3Å | ||
| 397 | K | 29 | Very low | 35.7 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | -58.3 | 126.3 | 171.4 | -89.3 | 173.2 | 170.6 | 170.9 | 0 | 110 | H395 | H395-K397 PolarHBondContact O-N 3.34Š| ||
| 398 | P | 39.2 | Very low | 35.2 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -105.4 | 104.2 | 154.8 | 31.9 | -15.7 | 0 | 0 | 0 | 107.6 | S396 | S396-P398 VanDerWaalsContact O-CD 3.26Å; S396-P398 WeakPolarHBondContact O-CD 3Å | ||
| 399 | V | 29.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -133.7 | 97.5 | 168.6 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | H401 | V399-H401 HydrophobicContact CG1-CB 4.4Å; V399-H401 PolarHBondContact O-N 3.46Å | ||
| 400 | I | 34.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -75.7 | 111.9 | 156.6 | -61.9 | 174.1 | 0 | 0 | 0 | 105.8 | ||||
| 401 | H | 25.6 | Very low | 34.5 | Very low | 169 Ų | 169 | 144 Ų | 144 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -140 | 121.6 | 154.5 | -162.9 | 81.9 | 0 | 0 | 0 | 108.4 | V399 | V399-H401 HydrophobicContact CG1-CB 4.4Å; V399-H401 PolarHBondContact O-N 3.46Å | ||
| 402 | L | 33.2 | Very low | 34.2 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -60.9 | 155.9 | 175 | -108.6 | 71.3 | 0 | 0 | 0 | 111.3 | ||||
| 403 | Q | 28 | Very low | 34 | Very low | 199 Ų | 199 | 147 Ų | 147 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | 112.7 | 108.5 | 146.2 | -158.9 | 158.2 | 33.1 | 0 | 0 | 117 | ||||
| 404 | G | 27.4 | Very low | 33.8 | Very low | 67 Ų | 67 | 153.2 Ų | 153.2 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 125.2 | 96 | 142.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 405 | N | 27.1 | Very low | 33.7 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | 52.5 | 109.1 | 146.3 | -67.2 | -2.6 | 0 | 0 | 0 | 121.1 | ||||
| 406 | E | 33.9 | Very low | 34.2 | Very low | 177 Ų | 177 | 156 Ų | 156 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -67.2 | 160.3 | 137.2 | -75.9 | -138.9 | 128 | 0 | 0 | 110 | ||||
| 407 | P | 37.9 | Very low | 33.8 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -138.4 | 147 | 25.1 | 37.8 | -18.4 | 0 | 0 | 0 | 115.5 | ||||
| 408 | L | 31.2 | Very low | 33.9 | Very low | 145 Ų | 145 | 152.1 Ų | 152.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 72.9 | 159 | -156.8 | 140.1 | 0 | 0 | 0 | 110.2 | ||||
| 409 | L | 39.9 | Very low | 33.6 | Very low | 146 Ų | 146 | 152 Ų | 152 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -116 | 45.5 | 167.2 | -135.3 | 170.5 | 0 | 0 | 0 | 108.9 | ||||
| 410 | E | 40.2 | Very low | 33.7 | Very low | 150 Ų | 150 | 154.6 Ų | 154.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -131.8 | 29.1 | -172.8 | -149.7 | 170.4 | 177.1 | 0 | 0 | 114.2 | ||||
| 411 | E | 38.8 | Very low | 33.5 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -121.1 | -6.8 | 173.9 | -155.4 | 166.6 | -170.9 | 0 | 0 | 114.2 | ||
| 412 | K | 35 | Very low | 33.7 | Very low | 197 Ų | 197 | 150.2 Ų | 150.2 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -106.4 | 5 | 177.5 | -121 | -158.5 | 178.8 | -160.9 | 0 | 116.5 | ||
| 413 | Y | 35.3 | Very low | 33.8 | Very low | 208 Ų | 208 | 149.2 Ų | 149.2 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -114.1 | 3.6 | 170.2 | -78.3 | -80.2 | 0 | 0 | 0 | 113.7 | M415 | Y413-M415 VanDerWaalsContact C-N 3.33Å; Y413-M415 PolarHBondContact O-N 3.05Å |
| 414 | R | 37.5 | Very low | 34 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -95.6 | 32.3 | 175.6 | -160.4 | -167.6 | -72 | -108.9 | -5.6 | 112.8 | ||
| 415 | M | 37.1 | Very low | 34.3 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -152.1 | 41 | 176.2 | -152.5 | 172.4 | -81.2 | 0 | 0 | 112.2 | Y413 | Y413-M415 VanDerWaalsContact C-N 3.33Å; Y413-M415 PolarHBondContact O-N 3.05Å |
| 416 | M | 40.9 | Very low | 34.7 | Very low | 192 Ų | 192 | 154.1 Ų | 154.1 | 95% | 0.946 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -173.6 | 90.4 | 157.8 | -109 | 172.8 | -160.4 | 0 | 0 | 108.6 | ||
| 417 | G | 28.6 | Very low | 34.7 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 154.4 | 105.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 418 | S | 30.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 135.7 | 90.1 | 151.5 | -162.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 419 | V | 32.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 155.4 Ų | 155.4 | 71% | 0.709 | 83% | 0.827 | S | S | * | * | 93.1 | 125.3 | 79.3 | 165.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 420 | E | 31.6 | Very low | 34.9 | Very low | 173 Ų | 173 | 155.9 Ų | 155.9 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | 167.4 | 104.6 | 124.7 | -87.3 | -173.3 | 150.9 | 0 | 0 | 108.2 | |||||
| 421 | T | 30.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 156.2 Ų | 156.2 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | 38 | 88.9 | 80.2 | 60.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 422 | S | 30 | Very low | 34.3 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | trans | -101.6 | 109.1 | 158.4 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 423 | V | 35.1 | Very low | 34.3 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 75% | 0.745 | 84% | 0.842 | S | S | * | * | trans | -93 | 126.2 | 165.8 | 172.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 424 | N | 32.1 | Very low | 34.2 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 84% | 0.844 | S | S | * | * | trans | -152.3 | 96.9 | 155 | -87.4 | -33.4 | 0 | 0 | 0 | 106.5 | ||||
| 425 | R | 33.3 | Very low | 34 | Very low | 222 Ų | 222 | 147.1 Ų | 147.1 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | 57.9 | 111.9 | 97.3 | -92.3 | -161.1 | -160.5 | -160.5 | 7.2 | 116.8 | |||||
| 426 | L | 37.1 | Very low | 33.8 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 80% | 0.801 | 85% | 0.85 | S | S | * | * | 68.7 | 136.7 | 129.8 | -110.6 | 86.5 | 0 | 0 | 0 | 123.1 | |||||
| 427 | S | 33.3 | Very low | 33.2 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 84% | 0.842 | S | S | * | * | trans | 91.2 | 113 | 144.7 | -72.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 428 | E | 35.2 | Very low | 33.6 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 89% | 0.893 | 85% | 0.845 | S | S | * | * | 68.3 | 107.2 | 124.5 | -153.2 | 171 | 151.2 | 0 | 0 | 119.5 | |||||
| 429 | A | 41.9 | Very low | 33.9 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 100% | 1.471 | 85% | 0.851 | S | S | * | * | trans | -170.2 | 0 | 131.1 | 0 | 0 | 0 | 0 | 0 | 110 |
Retrieved 429 of 429 residues in 101.7 ms
(Link to these results)