| 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 | 35.3 | Very low | 45.4 | Very low | 247 Ų | 247 | 137.5 Ų | 137.5 | 100% | 1.217 | 76% | 0.761 | S | S | * | * | 0 | 94 | 0 | -77.9 | -172.9 | 160.2 | 0 | 0 | 107.6 | |||||
| 2 | T | 46.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -109.8 | 131.1 | 155.3 | 28.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 3 | P | 39.8 | Very low | 45.5 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -74.6 | 147.9 | 177.6 | 31 | -26.6 | 0 | 0 | 0 | 108.3 | ||
| 4 | D | 50.3 | Low | 45.6 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 90.2 | 83.6 | -178.7 | -50.4 | -24 | 0 | 0 | 0 | 114.4 | L6 | D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 2.64Å | ||
| 5 | G | 45.5 | Very low | 45.5 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -76.1 | 66.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | L | 46.7 | Very low | 44.8 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | trans | -98.3 | 92.7 | 164.3 | -78.1 | 157.1 | 0 | 0 | 0 | 107.7 | D4 D8 | D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 2.64Å; L6-D8 PolarHBondContact O-N 2.62Å | ||
| 7 | I | 47.4 | Very low | 44.3 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -75.5 | 107.3 | 158.2 | -62.2 | 168.7 | 0 | 0 | 0 | 103.9 | E9 | I7-E9 PolarHBondContact O-N 2.93Š| ||
| 8 | D | 45 | Very low | 43.9 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 52% | 0.524 | 73% | 0.727 | S | S | . | * | trans | -54 | 111.9 | 177.4 | -79.4 | -38 | 0 | 0 | 0 | 109.7 | L6 D10 F11 | L6-D8 PolarHBondContact O-N 2.62Å; D8-D10 PolarHBondContact O-N 3.37Å; D8-F11 PolarHBondContact O-N 3.37Å | ||
| 9 | E | 48 | Very low | 43.5 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 70% | 0.696 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -57.8 | -14 | 169.8 | -71.7 | -175 | 166.4 | 0 | 0 | 112.2 | I7 | I7-E9 PolarHBondContact O-N 2.93Å |
| 10 | D | 51.9 | Low | 43.7 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 55% | 0.551 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -76.9 | -23.4 | 175.6 | -72.8 | -24.1 | 0 | 0 | 0 | 113.2 | D8 R13 E14 | D8-D10 PolarHBondContact O-N 3.37Å; D10-R13 PolarHBondContact O-N 3.26Å; D10-R13 IonicContact OD1-NH1 2.96Å; D10-E14 PolarHBondContact O-N 3.44Å; D10-E14 VanDerWaalsContact O-N 3.15Å |
| 11 | F | 43.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 58% | 0.583 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.5 | -35.3 | 176.3 | -118.9 | -87.9 | 0 | 0 | 0 | 112.2 | D8 R13 E14 L15 | D8-F11 PolarHBondContact O-N 3.37Å; F11-R13 VanDerWaalsContact C-N 3.34Å; F11-E14 PolarHBondContact O-N 2.93Å; F11-L15 HydrophobicContact CD1-CD1 4.45Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-L15 VanDerWaalsContact O-N 3.13Å |
| 12 | E | 46.1 | Very low | 44.7 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -72.5 | -27.1 | 174.7 | -69.3 | -163.8 | 166.7 | 0 | 0 | 112.3 | G16 | E12-G16 PolarHBondContact O-N 3.26Å; E12-G16 VanDerWaalsContact O-N 3.12Å |
| 13 | R | 46.2 | Very low | 46.3 | Very low | 179 Ų | 179 | 119.9 Ų | 119.9 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.4 | -31.9 | 172.6 | -80.9 | -178.4 | 178.2 | 135.4 | 4.9 | 113.3 | D10 F11 | D10-R13 PolarHBondContact O-N 3.26Å; D10-R13 IonicContact OD1-NH1 2.96Å; F11-R13 VanDerWaalsContact C-N 3.34Å |
| 14 | E | 45.7 | Very low | 48.3 | Very low | 153 Ų | 153 | 119.1 Ų | 119.1 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76 | -30.4 | 172.9 | -79.8 | -170.7 | 155.6 | 0 | 0 | 113 | D10 F11 G16 | D10-E14 PolarHBondContact O-N 3.44Å; D10-E14 VanDerWaalsContact O-N 3.15Å; F11-E14 PolarHBondContact O-N 2.93Å; E14-G16 VanDerWaalsContact C-N 3.32Å |
| 15 | L | 44.6 | Very low | 50.1 | Low | 140 Ų | 140 | 113.7 Ų | 113.7 | 73% | 0.733 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.5 | -13.9 | 172.7 | -76.8 | 159.4 | 0 | 0 | 0 | 113.6 | F11 C17 | F11-L15 HydrophobicContact CD1-CD1 4.45Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-L15 VanDerWaalsContact O-N 3.13Å; L15-C17 VanDerWaalsContact C-N 3.34Å; L15-C17 PolarHBondContact O-N 3.32Å |
| 16 | G | 33.9 | Very low | 51.9 | Low | 56 Ų | 56 | 113.1 Ų | 113.1 | 58% | 0.577 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -0.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | E12 E14 A18 | E12-G16 PolarHBondContact O-N 3.26Å; E12-G16 VanDerWaalsContact O-N 3.12Å; E14-G16 VanDerWaalsContact C-N 3.32Å; G16-A18 VanDerWaalsContact C-N 3.32Å; G16-A18 PolarHBondContact O-N 3.12Å |
| 17 | C | 36.9 | Very low | 53.7 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -67.5 | 94.9 | 164.2 | -89.8 | 0 | 0 | 0 | 0 | 108.1 | L15 A19 | L15-C17 VanDerWaalsContact C-N 3.34Å; L15-C17 PolarHBondContact O-N 3.32Å; C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.81Å |
| 18 | A | 37.1 | Very low | 55.6 | Low | 67 Ų | 67 | 102.7 Ų | 102.7 | 55% | 0.554 | 55% | 0.554 | S | S | * | * | trans | -49.1 | 84.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G16 K20 R277 | G16-A18 VanDerWaalsContact C-N 3.32Å; G16-A18 PolarHBondContact O-N 3.12Å; A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 2.92Å; A18-R277 PolarHBondContact O-NH2 3.21Å | ||
| 19 | A | 36.7 | Very low | 57.6 | Low | 95 Ų | 95 | 100.3 Ų | 100.3 | 79% | 0.785 | 54% | 0.542 | S | S | * | . | trans | -53.7 | 103 | 165.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | C17 E21 | C17-A19 VanDerWaalsContact C-N 3.28Å; C17-A19 PolarHBondContact O-N 2.81Å; A19-E21 PolarHBondContact O-N 3.07Å; A19-E21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | K | 47.2 | Very low | 59.5 | Low | 97 Ų | 97 | 95.5 Ų | 95.5 | 42% | 0.422 | 52% | 0.524 | S | S | . | . | trans | -57.5 | 121.4 | 176.8 | -157.6 | 171.3 | -176 | -174.1 | 0 | 104.8 | A18 L22 R277 | A18-K20 VanDerWaalsContact C-N 3.34Å; A18-K20 PolarHBondContact O-N 2.92Å; K20-L22 HydrophobicContact CB-CD1 4.26Å; K20-L22 PolarHBondContact O-N 3.35Å; K20-R277 VanDerWaalsContact CA-NH2 3.27Å; K20-R277 HydrophobicContact CD-CG 4.27Å; K20-R277 PolarHBondContact NZ-O 2.76Å | ||
| 21 | E | 44.3 | Very low | 61.2 | Low | 194 Ų | 194 | 94.9 Ų | 94.9 | 91% | 0.907 | 52% | 0.521 | S | S | * | . | trans | -60.2 | 93.2 | 161.3 | -77.5 | -174.7 | 164.1 | 0 | 0 | 105.6 | A19 S23 | A19-E21 PolarHBondContact O-N 3.07Å; A19-E21 VanDerWaalsContact O-N 3.14Å; E21-S23 PolarHBondContact O-N 3.09Å | ||
| 22 | L | 55.8 | Low | 63.5 | Low | 89 Ų | 89 | 89.6 Ų | 89.6 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | trans | -60 | 130.9 | 171 | -96.4 | 82.2 | 0 | 0 | 0 | 106.1 | K20 D26 V27 | K20-L22 HydrophobicContact CB-CD1 4.26Å; K20-L22 PolarHBondContact O-N 3.35Å; L22-D26 HydrophobicContact CB-CB 4Å; L22-D26 HydrophobicContact CD2-CB 3.84Å; L22-D26 HydrophobicContact CG-CB 3.85Å; L22-V27 HydrophobicContact CB-CG2 3.75Å; L22-V27 HydrophobicContact CD2-CG2 3.98Å | ||
| 23 | S | 79.1 | Confident | 65.4 | Low | 54 Ų | 54 | 82.9 Ų | 82.9 | 38% | 0.378 | 47% | 0.467 | S | S | . | . | trans | -61.9 | 155.8 | 168.4 | 71.5 | 0 | 0 | 0 | 0 | 109 | E21 Q25 D26 V27 | E21-S23 PolarHBondContact O-N 3.09Å; S23-Q25 PolarHBondContact O-N 2.79Å; S23-Q25 VanDerWaalsContact O-N 3.12Å; S23-D26 VanDerWaalsContact CB-OD2 3.29Å; S23-D26 WeakPolarHBondContact CB-OD2 2.92Å; S23-D26 PolarHBondContact N-OD2 2.93Å; S23-D26 WeakPolarHBondContact O-CB 3.37Å; S23-D26 PolarHBondContact O-N 3.08Å; S23-D26 PolarHBondContact OG-N 3.16Å; S23-D26 VanDerWaalsContact OG-N 3.1Å; S23-D26 PolarHBondContact OG-OD2 3.21Å; S23-V27 PolarHBondContact O-N 3.37Å; S23-V27 VanDerWaalsContact O-N 3.11Å | ||
| 24 | V | 83 | Confident | 67.1 | Low | 97 Ų | 97 | 75.5 Ų | 75.5 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -52.8 | -36.9 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | V27 I28 Q82 | V24-V27 PolarHBondContact O-N 3.18Å; V24-I28 HydrophobicContact CG1-CD1 3.92Å; V24-I28 WeakPolarHBondContact O-CD1 3.4Å; V24-I28 VanDerWaalsContact O-CG1 3.25Å; V24-I28 WeakPolarHBondContact O-CG1 3.47Å; V24-I28 PolarHBondContact O-N 3.16Å; V24-Q82 HydrophobicContact CG1-CB 4.23Å |
| 25 | Q | 87.3 | Confident | 69 | Low | 36 Ų | 36 | 68.2 Ų | 68.2 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 175.9 | -170.9 | 62.8 | 48.1 | 0 | 0 | 112.6 | S23 V27 I28 D29 Y75 T79 | S23-Q25 PolarHBondContact O-N 2.79Å; S23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-V27 VanDerWaalsContact C-N 3.31Å; Q25-V27 PolarHBondContact O-N 2.69Å; Q25-I28 PolarHBondContact O-N 3.49Å; Q25-D29 PolarHBondContact NE2-OD1 2.77Å; Q25-D29 WeakPolarHBondContact O-CB 3.12Å; Q25-D29 VanDerWaalsContact O-CG 3.25Å; Q25-D29 PolarHBondContact O-N 2.95Å; Q25-Y75 PolarHBondContact NE2-OH 2.66Å; Q25-T79 PolarHBondContact NE2-OG1 2.83Å; Q25-T79 VanDerWaalsContact OE1-CG2 3.24Å |
| 26 | D | 83.3 | Confident | 71 | Confident | 75 Ų | 75 | 62.8 Ų | 62.8 | 40% | 0.401 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 177 | -63.3 | -52.3 | 0 | 0 | 0 | 111.3 | L22 S23 D29 S30 | L22-D26 HydrophobicContact CB-CB 4Å; L22-D26 HydrophobicContact CD2-CB 3.84Å; L22-D26 HydrophobicContact CG-CB 3.85Å; S23-D26 VanDerWaalsContact CB-OD2 3.29Å; S23-D26 WeakPolarHBondContact CB-OD2 2.92Å; S23-D26 PolarHBondContact N-OD2 2.93Å; S23-D26 WeakPolarHBondContact O-CB 3.37Å; S23-D26 PolarHBondContact O-N 3.08Å; S23-D26 PolarHBondContact OG-N 3.16Å; S23-D26 VanDerWaalsContact OG-N 3.1Å; S23-D26 PolarHBondContact OG-OD2 3.21Å; D26-D29 PolarHBondContact O-N 3.38Å; D26-S30 WeakPolarHBondContact O-CB 3.2Å; D26-S30 PolarHBondContact O-N 3.13Å; D26-S30 PolarHBondContact O-OG 2.84Å |
| 27 | V | 84.8 | Confident | 73.2 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | L22 S23 V24 Q25 D29 S30 D31 | L22-V27 HydrophobicContact CB-CG2 3.75Å; L22-V27 HydrophobicContact CD2-CG2 3.98Å; S23-V27 PolarHBondContact O-N 3.37Å; S23-V27 VanDerWaalsContact O-N 3.11Å; V24-V27 PolarHBondContact O-N 3.18Å; Q25-V27 VanDerWaalsContact C-N 3.31Å; Q25-V27 PolarHBondContact O-N 2.69Å; V27-D29 PolarHBondContact O-N 2.96Å; V27-S30 PolarHBondContact O-N 3.43Å; V27-S30 PolarHBondContact O-OG 3.48Å; V27-D31 PolarHBondContact O-N 3.32Å; V27-D31 VanDerWaalsContact O-N 3.16Å |
| 28 | I | 87.9 | Confident | 75.5 | Confident | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61 | -46 | 176.5 | -63.4 | 162.5 | 0 | 0 | 0 | 110.4 | V24 Q25 S30 D31 Y32 Y75 K78 | V24-I28 HydrophobicContact CG1-CD1 3.92Å; V24-I28 WeakPolarHBondContact O-CD1 3.4Å; V24-I28 VanDerWaalsContact O-CG1 3.25Å; V24-I28 WeakPolarHBondContact O-CG1 3.47Å; V24-I28 PolarHBondContact O-N 3.16Å; Q25-I28 PolarHBondContact O-N 3.49Å; I28-S30 PolarHBondContact O-N 3.37Å; I28-D31 PolarHBondContact O-N 3.48Å; I28-D31 VanDerWaalsContact O-N 3.07Å; I28-Y32 HydrophobicContact CG2-CD2 4.05Å; I28-Y32 HydrophobicContact CG2-CE2 4.38Å; I28-Y32 VanDerWaalsContact O-CD2 3.27Å; I28-Y32 WeakPolarHBondContact O-CD2 3.5Å; I28-Y32 PolarHBondContact O-N 2.78Å; I28-Y32 VanDerWaalsContact O-N 3.15Å; I28-Y75 HydrophobicContact CG2-CD2 3.77Å; I28-Y75 HydrophobicContact CG2-CE2 3.77Å; I28-K78 HydrophobicContact CD1-CB 4.19Å; I28-K78 WeakPolarHBondContact CD1-O 3.36Å; I28-K78 HydrophobicContact CG1-CB 4.22Å; I28-K78 HydrophobicContact CG2-CB 3.99Å |
| 29 | D | 87.2 | Confident | 77.9 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -30.8 | -178.6 | -73 | -16.6 | 0 | 0 | 0 | 112.3 | Q25 D26 V27 Y32 S36 Y75 | Q25-D29 PolarHBondContact NE2-OD1 2.77Å; Q25-D29 WeakPolarHBondContact O-CB 3.12Å; Q25-D29 VanDerWaalsContact O-CG 3.25Å; Q25-D29 PolarHBondContact O-N 2.95Å; D26-D29 PolarHBondContact O-N 3.38Å; V27-D29 PolarHBondContact O-N 2.96Å; D29-Y32 CarbonylContact O-C 3.56Å; D29-S36 PolarHBondContact O-OG 3.19Å; D29-S36 WeakPolarHBondContact OD1-CB 3.34Å; D29-Y75 VanDerWaalsContact OD1-CE2 3.28Å; D29-Y75 WeakPolarHBondContact OD1-CE2 3.49Å; D29-Y75 PolarHBondContact OD1-OH 2.93Å |
| 30 | S | 86.3 | Confident | 80.3 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.4 | -32.5 | 173.4 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | D26 V27 I28 L405 | D26-S30 WeakPolarHBondContact O-CB 3.2Å; D26-S30 PolarHBondContact O-N 3.13Å; D26-S30 PolarHBondContact O-OG 2.84Å; V27-S30 PolarHBondContact O-N 3.43Å; V27-S30 PolarHBondContact O-OG 3.48Å; I28-S30 PolarHBondContact O-N 3.37Å; S30-L405 VanDerWaalsContact O-CD2 3.23Å; S30-L405 WeakPolarHBondContact O-CD2 3.11Å |
| 31 | D | 89.2 | Confident | 82.5 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.7 | -23.2 | 177.1 | -73.3 | -19 | 0 | 0 | 0 | 112.5 | V27 I28 P33 | V27-D31 PolarHBondContact O-N 3.32Å; V27-D31 VanDerWaalsContact O-N 3.16Å; I28-D31 PolarHBondContact O-N 3.48Å; I28-D31 VanDerWaalsContact O-N 3.07Å; D31-P33 VanDerWaalsContact C-CD 3.45Å |
| 32 | Y | 90.7 | Very high | 84.7 | Confident | 22 Ų | 22 | 43.5 Ų | 43.5 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | trans | -129 | 54.9 | -176.1 | -58.6 | -98 | 0 | 0 | 0 | 112.6 | I28 D29 D34 I35 S36 H71 M74 Y75 K78 | I28-Y32 HydrophobicContact CG2-CD2 4.05Å; I28-Y32 HydrophobicContact CG2-CE2 4.38Å; I28-Y32 VanDerWaalsContact O-CD2 3.27Å; I28-Y32 WeakPolarHBondContact O-CD2 3.5Å; I28-Y32 PolarHBondContact O-N 2.78Å; I28-Y32 VanDerWaalsContact O-N 3.15Å; D29-Y32 CarbonylContact O-C 3.56Å; Y32-D34 PolarHBondContact O-N 3.4Å; Y32-I35 PolarHBondContact O-N 2.97Å; Y32-I35 VanDerWaalsContact O-N 3.1Å; Y32-S36 WeakPolarHBondContact O-CB 3.41Å; Y32-S36 PolarHBondContact O-N 3.33Å; Y32-S36 PolarHBondContact O-OG 3.48Å; Y32-S36 VanDerWaalsContact O-OG 3.13Å; Y32-H71 AromaticContact CD1-CD2 3.4Å; Y32-H71 VanDerWaalsContact CD1-CD2 3.4Å; Y32-H71 WeakPolarHBondContact CD1-CD2 3.48Å; Y32-H71 AromaticContact CD1-CE1 3.54Å; Y32-H71 AromaticContact CD1-CG 3.94Å; Y32-H71 AromaticContact CD1-NE2 3.12Å; Y32-H71 WeakPolarHBondContact CD1-NE2 3.03Å; Y32-H71 AromaticContact CE1-CD2 3.39Å; Y32-H71 WeakPolarHBondContact CE1-CD2 3.45Å; Y32-H71 AromaticContact CE1-NE2 3.36Å; Y32-H71 WeakPolarHBondContact CE1-NE2 3.08Å; Y32-M74 HydrophobicContact CE1-CB 3.77Å; Y32-Y75 VanDerWaalsContact CB-CD2 3.45Å; Y32-Y75 HydrophobicContact CD1-CD2 4.39Å; Y32-Y75 AromaticContact CD2-CD2 3.92Å; Y32-Y75 HydrophobicContact CD2-CD2 3.92Å; Y32-Y75 AromaticContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CG 4.27Å; Y32-K78 HydrophobicContact CE2-CG 4.38Å | ||
| 33 | P | 85.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.071 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -26.7 | -171.1 | 27.6 | -35.4 | 0 | 0 | 0 | 113.4 | D31 S36 R37 | D31-P33 VanDerWaalsContact C-CD 3.45Å; P33-S36 WeakPolarHBondContact CA-OG 3.44Å; P33-R37 WeakPolarHBondContact O-CB 3.45Å; P33-R37 WeakPolarHBondContact O-CD 3.4Å; P33-R37 WeakPolarHBondContact O-CG 3.32Å |
| 34 | D | 82.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.4 | -34.2 | 175.6 | 61.2 | -52 | 0 | 0 | 0 | 113.2 | Y32 L38 H71 Q402 | Y32-D34 PolarHBondContact O-N 3.4Å; D34-L38 WeakPolarHBondContact O-CG 3.37Å; D34-H71 IonicContact OD1-CE1 3.12Å; D34-H71 PolarHBondContact OD1-CE1 3.41Å; D34-H71 IonicContact OD1-ND1 3.13Å; D34-H71 PolarHBondContact OD1-ND1 3.16Å; D34-H71 VanDerWaalsContact OD1-ND1 3.13Å; D34-H71 IonicContact OD2-CE1 3.8Å; D34-H71 IonicContact OD2-ND1 2.99Å; D34-H71 PolarHBondContact OD2-ND1 3.07Å; D34-Q402 HydrophobicContact CB-CB 3.82Å; D34-Q402 HydrophobicContact CB-CG 3.51Å; D34-Q402 PolarHBondContact OD2-NE2 2.78Å |
| 35 | I | 87 | Confident | 86.8 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -90.9 | -43.5 | -179.5 | -51.7 | -58 | 0 | 0 | 0 | 111 | Y32 R37 L38 I67 L72 Y75 | Y32-I35 PolarHBondContact O-N 2.97Å; Y32-I35 VanDerWaalsContact O-N 3.1Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 3.07Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 3.33Å; I35-I67 HydrophobicContact CD1-CD1 3.86Å; I35-I67 HydrophobicContact CD1-CG1 3.77Å; I35-L72 HydrophobicContact CD1-CB 4.24Å; I35-L72 HydrophobicContact CG2-CD1 3.63Å; I35-Y75 HydrophobicContact CB-CD1 4.17Å; I35-Y75 HydrophobicContact CB-CG 4.1Å; I35-Y75 HydrophobicContact CG2-CD1 3.38Å; I35-Y75 HydrophobicContact CG2-CE1 3.99Å; I35-Y75 HydrophobicContact CG2-CG 3.76Å |
| 36 | S | 85.5 | Confident | 86.8 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | -175.3 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | D29 Y32 P33 L38 G39 | D29-S36 PolarHBondContact O-OG 3.19Å; D29-S36 WeakPolarHBondContact OD1-CB 3.34Å; Y32-S36 WeakPolarHBondContact O-CB 3.41Å; Y32-S36 PolarHBondContact O-N 3.33Å; Y32-S36 PolarHBondContact O-OG 3.48Å; Y32-S36 VanDerWaalsContact O-OG 3.13Å; P33-S36 WeakPolarHBondContact CA-OG 3.44Å; S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3.41Å; S36-G39 PolarHBondContact O-N 3.26Å |
| 37 | R | 80.9 | Confident | 87 | Confident | 91 Ų | 91 | 33.4 Ų | 33.4 | 34% | 0.343 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.6 | 177.7 | -74 | 176 | -174.9 | 160.8 | 1.7 | 114.2 | P33 I35 G39 | P33-R37 WeakPolarHBondContact O-CB 3.45Å; P33-R37 WeakPolarHBondContact O-CD 3.4Å; P33-R37 WeakPolarHBondContact O-CG 3.32Å; I35-R37 VanDerWaalsContact C-N 3.32Å; I35-R37 PolarHBondContact O-N 3.07Å; R37-G39 PolarHBondContact O-N 2.63Å |
| 38 | L | 84.9 | Confident | 87.2 | Confident | 59 Ų | 59 | 35.2 Ų | 35.2 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.7 | 177.3 | -61 | 172 | 0 | 0 | 0 | 111.4 | D34 I35 S36 V40 R60 P62 I67 | D34-L38 WeakPolarHBondContact O-CG 3.37Å; I35-L38 WeakPolarHBondContact O-CB 3.42Å; I35-L38 PolarHBondContact O-N 3.33Å; S36-L38 VanDerWaalsContact C-N 3.27Å; S36-L38 PolarHBondContact O-N 3.41Å; L38-V40 HydrophobicContact CB-CG2 3.66Å; L38-V40 HydrophobicContact CD1-CG2 4.23Å; L38-V40 PolarHBondContact O-N 2.87Å; L38-R60 WeakPolarHBondContact O-CB 3.3Å; L38-R60 WeakPolarHBondContact O-CD 3.43Å; L38-P62 HydrophobicContact CD1-CG 4.16Å; L38-I67 HydrophobicContact CD1-CD1 3.83Å |
| 39 | G | 86.2 | Confident | 87.3 | Confident | 9 Ų | 9 | 41 Ų | 41 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 25.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S36 R37 L41 R60 | S36-G39 PolarHBondContact O-N 3.26Å; R37-G39 PolarHBondContact O-N 2.63Å; G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 3.07Å; G39-R60 WeakPolarHBondContact O-CD 3.47Å; G39-R60 PolarHBondContact O-NH1 2.88Å |
| 40 | V | 88.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | trans | -63.1 | -38 | -177.7 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | L38 F56 S57 R60 L61 | L38-V40 HydrophobicContact CB-CG2 3.66Å; L38-V40 HydrophobicContact CD1-CG2 4.23Å; L38-V40 PolarHBondContact O-N 2.87Å; V40-F56 HydrophobicContact CG1-CD1 4.13Å; V40-F56 HydrophobicContact CG1-CD2 3.95Å; V40-F56 HydrophobicContact CG1-CE1 3.63Å; V40-F56 HydrophobicContact CG1-CE2 3.41Å; V40-F56 VanDerWaalsContact CG1-CE2 3.41Å; V40-F56 HydrophobicContact CG1-CG 4.29Å; V40-F56 HydrophobicContact CG1-CZ 3.25Å; V40-F56 CarbonylContact O-C 3.57Å; V40-F56 VanDerWaalsContact O-CA 3.22Å; V40-F56 WeakPolarHBondContact O-CA 3.36Å; V40-S57 PolarHBondContact O-N 3.48Å; V40-R60 HydrophobicContact CG2-CB 4.1Å; V40-L61 HydrophobicContact CG1-CD2 3.93Å; V40-L61 HydrophobicContact CG1-CG 4.17Å; V40-L61 HydrophobicContact CG2-CD2 4.03Å; V40-L61 HydrophobicContact CG2-CG 4.42Å | ||
| 41 | L | 92.8 | Very high | 87.5 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.3 | 179.8 | -167.8 | 71.2 | 0 | 0 | 0 | 109.8 | G39 I54 V55 F56 Y75 I76 T79 L90 | G39-L41 VanDerWaalsContact C-N 3.29Å; G39-L41 PolarHBondContact O-N 3.07Å; L41-I54 HydrophobicContact CD1-CG2 3.44Å; L41-I54 VanDerWaalsContact CD1-CG2 3.44Å; L41-I54 HydrophobicContact CG-CG2 3.89Å; L41-V55 CarbonylContact C-O 3.55Å; L41-V55 VanDerWaalsContact CA-O 3.26Å; L41-V55 WeakPolarHBondContact CA-O 3.49Å; L41-F56 HydrophobicContact CD1-CB 4.12Å; L41-F56 HydrophobicContact CD1-CD2 4.02Å; L41-Y75 HydrophobicContact CB-CE1 4.1Å; L41-I76 HydrophobicContact CD2-CB 4.28Å; L41-I76 HydrophobicContact CD2-CG1 4.26Å; L41-I76 HydrophobicContact CD2-CG2 4.13Å; L41-T79 HydrophobicContact CD2-CG2 3.41Å; L41-T79 VanDerWaalsContact CD2-CG2 3.41Å; L41-T79 HydrophobicContact CG-CG2 4.11Å; L41-L90 HydrophobicContact CD1-CD1 4.48Å |
| 42 | Q | 89.6 | Confident | 87.6 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.1 | -177.7 | -64.8 | -176.1 | -44.6 | 0 | 0 | 111.5 | I54 V55 P173 | Q42-I54 WeakPolarHBondContact O-CA 3.5Å; Q42-V55 PolarHBondContact N-O 3.1Å; Q42-V55 PolarHBondContact O-N 3.27Å; Q42-P173 HydrophobicContact CB-CG 4.08Å; Q42-P173 VanDerWaalsContact OE1-CB 3.28Å |
| 43 | G | 88.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 44 | A | 87.7 | Confident | 88.2 | Confident | 9 Ų | 9 | 39 Ų | 39 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 27.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I53 V55 L172 P173 | A44-I53 HydrophobicContact CB-CB 4.07Å; A44-I53 HydrophobicContact CB-CG2 3.87Å; A44-I53 PolarHBondContact N-O 3.11Å; A44-V55 HydrophobicContact CB-CG2 3.73Å; A44-L172 HydrophobicContact CB-CD2 3.76Å; A44-P173 HydrophobicContact CB-CG 4.08Å |
| 45 | G | 85.8 | Confident | 88.8 | Confident | 38 Ų | 38 | 38 Ų | 38 | 39% | 0.392 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.4 | -139.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K52 I53 | G45-K52 WeakPolarHBondContact O-CA 3.36Å; G45-I53 PolarHBondContact O-N 2.76Å |
| 46 | D | 88.1 | Confident | 89.2 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 149.3 | -175.5 | -62.5 | -56.3 | 0 | 0 | 0 | 111 | R51 K52 | D46-R51 CarbonylContact C-O 3.53Å; D46-R51 VanDerWaalsContact CA-O 3.29Å; D46-R51 WeakPolarHBondContact CA-O 3.35Å; D46-K52 WeakPolarHBondContact OD1-CD 3.47Å; D46-K52 WeakPolarHBondContact OD1-CE 3.22Å; D46-K52 IonicContact OD1-NZ 2.66Å; D46-K52 PolarHBondContact OD1-NZ 2.94Å; D46-K52 IonicContact OD2-NZ 3.85Å; D46-K52 PolarHBondContact OD2-NZ 3.33Å |
| 47 | D | 88.7 | Confident | 89.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -78.8 | -179.3 | 171.2 | 74 | 4.9 | 0 | 0 | 0 | 112.8 | L49 G50 R51 I53 L167 | D47-L49 PolarHBondContact O-N 2.81Å; D47-L49 WeakPolarHBondContact OD1-CA 3.44Å; D47-L49 WeakPolarHBondContact OD1-CB 3.41Å; D47-L49 PolarHBondContact OD1-N 3.32Å; D47-G50 PolarHBondContact O-N 3.47Å; D47-G50 PolarHBondContact OD1-N 3.08Å; D47-G50 VanDerWaalsContact OD1-N 3.09Å; D47-R51 PolarHBondContact N-O 3.34Å; D47-R51 WeakPolarHBondContact OD1-CB 3.38Å; D47-R51 PolarHBondContact OD1-N 3.45Å; D47-R51 IonicContact OD1-NE 2.75Å; D47-R51 IonicContact OD2-CZ 2.59Å; D47-R51 IonicContact OD2-NE 3.12Å; D47-R51 PolarHBondContact OD2-NE 3.35Å; D47-R51 IonicContact OD2-NH2 3.4Å; D47-R51 PolarHBondContact OD2-NH2 2.94Å; D47-I53 HydrophobicContact CB-CD1 3.85Å; D47-I53 HydrophobicContact CB-CG1 4.02Å; D47-L167 HydrophobicContact CB-CD2 3.59Å | ||
| 48 | K | 88.5 | Confident | 89.8 | Confident | 104 Ų | 104 | 33.6 Ų | 33.6 | 45% | 0.452 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.9 | 179.6 | -67.3 | -175.7 | 173.2 | -176.5 | 0 | 114.1 | E164 T166 L167 F168 | K48-E164 WeakPolarHBondContact CE-O 3.38Å; K48-E164 PolarHBondContact NZ-O 3.21Å; K48-T166 WeakPolarHBondContact CB-O 3.42Å; K48-T166 WeakPolarHBondContact CG-O 3.43Å; K48-T166 PolarHBondContact N-O 3.3Å; K48-L167 WeakPolarHBondContact CE-O 3.38Å; K48-F168 HydrophobicContact CB-CE2 4.4Å; K48-F168 HydrophobicContact CB-CZ 4.41Å; K48-F168 HydrophobicContact CD-CE1 4.48Å; K48-F168 HydrophobicContact CG-CD1 4.34Å; K48-F168 HydrophobicContact CG-CD2 4.2Å; K48-F168 HydrophobicContact CG-CE1 3.94Å; K48-F168 HydrophobicContact CG-CE2 3.77Å; K48-F168 HydrophobicContact CG-CG 4.47Å; K48-F168 HydrophobicContact CG-CZ 3.64Å |
| 49 | L | 90.1 | Very high | 89.9 | Confident | 134 Ų | 134 | 31.3 Ų | 31.3 | 70% | 0.702 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 6.7 | 177.4 | -61.3 | 177.7 | 0 | 0 | 0 | 112.6 | D47 R51 | D47-L49 PolarHBondContact O-N 2.81Å; D47-L49 WeakPolarHBondContact OD1-CA 3.44Å; D47-L49 WeakPolarHBondContact OD1-CB 3.41Å; D47-L49 PolarHBondContact OD1-N 3.32Å; L49-R51 HydrophobicContact CB-CG 4.38Å |
| 50 | G | 85.6 | Confident | 89.9 | Confident | 55 Ų | 55 | 33.5 Ų | 33.5 | 57% | 0.567 | 19% | 0.191 | S | C | * | . | S | Bend | trans | 78.9 | 18.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D47 | D47-G50 PolarHBondContact O-N 3.47Å; D47-G50 PolarHBondContact OD1-N 3.08Å; D47-G50 VanDerWaalsContact OD1-N 3.09Å |
| 51 | R | 91.6 | Very high | 89.6 | Confident | 48 Ų | 48 | 34 Ų | 34 | 18% | 0.181 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -92.6 | 138.3 | 179.2 | -54.6 | 177.2 | -66.6 | -171 | 5.1 | 110 | D46 D47 L49 I53 D87 | D46-R51 CarbonylContact C-O 3.53Å; D46-R51 VanDerWaalsContact CA-O 3.29Å; D46-R51 WeakPolarHBondContact CA-O 3.35Å; D47-R51 PolarHBondContact N-O 3.34Å; D47-R51 WeakPolarHBondContact OD1-CB 3.38Å; D47-R51 PolarHBondContact OD1-N 3.45Å; D47-R51 IonicContact OD1-NE 2.75Å; D47-R51 IonicContact OD2-CZ 2.59Å; D47-R51 IonicContact OD2-NE 3.12Å; D47-R51 PolarHBondContact OD2-NE 3.35Å; D47-R51 IonicContact OD2-NH2 3.4Å; D47-R51 PolarHBondContact OD2-NH2 2.94Å; L49-R51 HydrophobicContact CB-CG 4.38Å; R51-I53 PolarHBondContact O-N 3.04Å; R51-D87 WeakPolarHBondContact CB-O 3.14Å; R51-D87 HydrophobicContact CG-CB 4.08Å |
| 52 | K | 92.1 | Very high | 88.9 | Confident | 71 Ų | 71 | 35.2 Ų | 35.2 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 135.1 | -178.3 | -70.5 | -71.2 | 164.5 | -147.3 | 0 | 111.4 | G45 D46 Y83 I86 D87 Y88 V89 | G45-K52 WeakPolarHBondContact O-CA 3.36Å; D46-K52 WeakPolarHBondContact OD1-CD 3.47Å; D46-K52 WeakPolarHBondContact OD1-CE 3.22Å; D46-K52 IonicContact OD1-NZ 2.66Å; D46-K52 PolarHBondContact OD1-NZ 2.94Å; D46-K52 IonicContact OD2-NZ 3.85Å; D46-K52 PolarHBondContact OD2-NZ 3.33Å; K52-Y83 HydrophobicContact CB-CD1 3.93Å; K52-Y83 HydrophobicContact CB-CE1 4.17Å; K52-Y83 HydrophobicContact CD-CE1 4.41Å; K52-Y83 HydrophobicContact CG-CD1 4.09Å; K52-Y83 HydrophobicContact CG-CE1 4.21Å; K52-I86 HydrophobicContact CB-CD1 4.33Å; K52-I86 HydrophobicContact CG-CD1 3.54Å; K52-D87 PolarHBondContact N-O 2.96Å; K52-Y88 CarbonylContact O-C 3.6Å; K52-Y88 WeakPolarHBondContact O-CA 3.47Å; K52-Y88 WeakPolarHBondContact O-CB 3.47Å; K52-V89 PolarHBondContact O-N 3.02Å |
| 53 | I | 93.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.7 | 176.8 | -56.5 | 169 | 0 | 0 | 0 | 109.4 | A44 G45 D47 R51 V55 V89 I91 L167 L172 | A44-I53 HydrophobicContact CB-CB 4.07Å; A44-I53 HydrophobicContact CB-CG2 3.87Å; A44-I53 PolarHBondContact N-O 3.11Å; G45-I53 PolarHBondContact O-N 2.76Å; D47-I53 HydrophobicContact CB-CD1 3.85Å; D47-I53 HydrophobicContact CB-CG1 4.02Å; R51-I53 PolarHBondContact O-N 3.04Å; I53-V55 HydrophobicContact CG2-CG2 4.25Å; I53-V89 WeakPolarHBondContact CA-O 3.3Å; I53-I91 HydrophobicContact CG2-CD1 3.53Å; I53-I91 HydrophobicContact CG2-CG1 4.01Å; I53-L167 HydrophobicContact CD1-CD2 3.65Å; I53-L167 HydrophobicContact CG1-CD2 4.21Å; I53-L172 HydrophobicContact CD1-CD2 3.94Å; I53-L172 HydrophobicContact CG2-CD2 3.87Å |
| 54 | I | 94.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.8 | 169.6 | -56.7 | 94.1 | 0 | 0 | 0 | 108 | L41 Q42 L80 Y83 Y88 V89 L90 I91 | L41-I54 HydrophobicContact CD1-CG2 3.44Å; L41-I54 VanDerWaalsContact CD1-CG2 3.44Å; L41-I54 HydrophobicContact CG-CG2 3.89Å; Q42-I54 WeakPolarHBondContact O-CA 3.5Å; I54-L80 HydrophobicContact CB-CD2 4.39Å; I54-L80 HydrophobicContact CG1-CD2 4.3Å; I54-L80 HydrophobicContact CG2-CD2 4.05Å; I54-Y83 HydrophobicContact CD1-CD1 4.23Å; I54-Y83 HydrophobicContact CD1-CD2 3.7Å; I54-Y83 HydrophobicContact CD1-CE2 4.06Å; I54-Y83 HydrophobicContact CD1-CG 3.78Å; I54-Y83 HydrophobicContact CG1-CD2 3.67Å; I54-Y83 HydrophobicContact CG1-CE2 3.57Å; I54-Y83 HydrophobicContact CG1-CG 4.23Å; I54-Y88 HydrophobicContact CD1-CD2 3.6Å; I54-Y88 HydrophobicContact CD1-CE2 4.47Å; I54-Y88 HydrophobicContact CD1-CG 4.05Å; I54-V89 PolarHBondContact N-O 3.07Å; I54-L90 HydrophobicContact CB-CD1 4.01Å; I54-L90 HydrophobicContact CG2-CD1 3.95Å; I54-L90 CarbonylContact O-C 3.49Å; I54-L90 WeakPolarHBondContact O-CA 3.42Å; I54-L90 WeakPolarHBondContact O-CD1 3.22Å; I54-I91 PolarHBondContact O-N 3Å |
| 55 | V | 94.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.6 | -178.7 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | L41 Q42 A44 I53 I91 F93 L172 P173 | L41-V55 CarbonylContact C-O 3.55Å; L41-V55 VanDerWaalsContact CA-O 3.26Å; L41-V55 WeakPolarHBondContact CA-O 3.49Å; Q42-V55 PolarHBondContact N-O 3.1Å; Q42-V55 PolarHBondContact O-N 3.27Å; A44-V55 HydrophobicContact CB-CG2 3.73Å; I53-V55 HydrophobicContact CG2-CG2 4.25Å; V55-I91 CarbonylContact C-O 3.52Å; V55-I91 WeakPolarHBondContact CA-O 3.26Å; V55-I91 HydrophobicContact CG2-CB 4.24Å; V55-I91 HydrophobicContact CG2-CD1 4.4Å; V55-F93 HydrophobicContact CG1-CD2 3.53Å; V55-F93 HydrophobicContact CG1-CE2 3.4Å; V55-F93 HydrophobicContact CG2-CE2 4.38Å; V55-L172 HydrophobicContact CG2-CD2 4.42Å; V55-P173 HydrophobicContact CB-CG 4.38Å; V55-P173 HydrophobicContact CG2-CG 4.3Å |
| 56 | F | 95.3 | Very high | 87.5 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124 | 167.1 | -170.5 | -71.7 | 0 | 0 | 0 | 110 | V40 L41 L61 I76 I91 Y92 F93 | V40-F56 HydrophobicContact CG1-CD1 4.13Å; V40-F56 HydrophobicContact CG1-CD2 3.95Å; V40-F56 HydrophobicContact CG1-CE1 3.63Å; V40-F56 HydrophobicContact CG1-CE2 3.41Å; V40-F56 VanDerWaalsContact CG1-CE2 3.41Å; V40-F56 HydrophobicContact CG1-CG 4.29Å; V40-F56 HydrophobicContact CG1-CZ 3.25Å; V40-F56 CarbonylContact O-C 3.57Å; V40-F56 VanDerWaalsContact O-CA 3.22Å; V40-F56 WeakPolarHBondContact O-CA 3.36Å; L41-F56 HydrophobicContact CD1-CB 4.12Å; L41-F56 HydrophobicContact CD1-CD2 4.02Å; F56-L61 HydrophobicContact CE1-CD1 3.97Å; F56-L61 HydrophobicContact CE1-CG 4.44Å; F56-L61 HydrophobicContact CZ-CD1 4.07Å; F56-L61 HydrophobicContact CZ-CD2 4.33Å; F56-L61 HydrophobicContact CZ-CG 4.4Å; F56-I76 HydrophobicContact CD2-CD1 4.43Å; F56-I76 HydrophobicContact CE2-CD1 3.68Å; F56-I76 HydrophobicContact CE2-CG1 4.24Å; F56-I91 PolarHBondContact N-O 3.25Å; F56-Y92 HydrophobicContact CB-CD2 4.15Å; F56-Y92 AromaticContact CD1-CD2 3.51Å; F56-Y92 HydrophobicContact CD1-CD2 3.51Å; F56-Y92 AromaticContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CE1-CD2 4.31Å; F56-Y92 AromaticContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CG-CD2 4.14Å; F56-Y92 WeakPolarHBondContact O-CA 3.46Å; F56-F93 PolarHBondContact O-N 3Å |
| 57 | S | 91.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.1 | -177.3 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | V40 C59 R60 P175 | V40-S57 PolarHBondContact O-N 3.48Å; S57-C59 VanDerWaalsContact C-N 3.33Å; S57-C59 PolarHBondContact O-N 3.36Å; S57-R60 PolarHBondContact O-N 3.24Å; S57-P175 VanDerWaalsContact OG-CG 3.32Å; S57-P175 WeakPolarHBondContact OG-CG 3.45Å |
| 58 | A | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -63.7 | -35.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | R60 L61 Y92 F93 L97 | A58-R60 PolarHBondContact O-N 3.14Å; A58-L61 WeakPolarHBondContact O-CB 3.25Å; A58-L61 PolarHBondContact O-N 3.24Å; A58-Y92 HydrophobicContact CB-CE2 3.91Å; A58-F93 VanDerWaalsContact CB-O 3.22Å; A58-F93 WeakPolarHBondContact CB-O 3.25Å; A58-F93 PolarHBondContact N-O 3.49Å; A58-L97 HydrophobicContact CB-CB 3.91Å; A58-L97 HydrophobicContact CB-CD1 4.06Å |
| 59 | C | 86 | Confident | 87.6 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -64.1 | -9.2 | 178.2 | 66 | 0 | 0 | 0 | 0 | 115.1 | S57 F95 P175 R177 | S57-C59 VanDerWaalsContact C-N 3.33Å; S57-C59 PolarHBondContact O-N 3.36Å; C59-F95 WeakPolarHBondContact CB-O 3.5Å; C59-F95 PolarHBondContact N-O 2.82Å; C59-F95 VanDerWaalsContact N-O 3.16Å; C59-P175 VanDerWaalsContact SG-CB 3.53Å; C59-R177 PolarHBondContact O-NH1 3.42Å; C59-R177 VanDerWaalsContact O-NH1 3.12Å |
| 60 | R | 86.8 | Confident | 87.8 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -96.6 | -5.1 | 175 | -68 | -177.5 | 175.9 | 164.8 | 2.8 | 113.2 | L38 G39 V40 S57 A58 | L38-R60 WeakPolarHBondContact O-CB 3.3Å; L38-R60 WeakPolarHBondContact O-CD 3.43Å; G39-R60 WeakPolarHBondContact O-CD 3.47Å; G39-R60 PolarHBondContact O-NH1 2.88Å; V40-R60 HydrophobicContact CG2-CB 4.1Å; S57-R60 PolarHBondContact O-N 3.24Å; A58-R60 PolarHBondContact O-N 3.14Å |
| 61 | L | 81.4 | Confident | 88.2 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | trans | -73.9 | 125.7 | 172 | -72.3 | 167.4 | 0 | 0 | 0 | 109.9 | V40 F56 A58 I67 L72 L97 N101 | V40-L61 HydrophobicContact CG1-CD2 3.93Å; V40-L61 HydrophobicContact CG1-CG 4.17Å; V40-L61 HydrophobicContact CG2-CD2 4.03Å; V40-L61 HydrophobicContact CG2-CG 4.42Å; F56-L61 HydrophobicContact CE1-CD1 3.97Å; F56-L61 HydrophobicContact CE1-CG 4.44Å; F56-L61 HydrophobicContact CZ-CD1 4.07Å; F56-L61 HydrophobicContact CZ-CD2 4.33Å; F56-L61 HydrophobicContact CZ-CG 4.4Å; A58-L61 WeakPolarHBondContact O-CB 3.25Å; A58-L61 PolarHBondContact O-N 3.24Å; L61-I67 HydrophobicContact CD2-CD1 4.16Å; L61-L72 HydrophobicContact CD2-CD2 3.74Å; L61-L97 HydrophobicContact CD1-CD1 4.04Å; L61-N101 HydrophobicContact CB-CB 4.25Å; L61-N101 PolarHBondContact O-ND2 2.91Å | ||
| 62 | P | 78.8 | Confident | 88.3 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | trans | -71.2 | 178.4 | 171.7 | 35.2 | -38.9 | 0 | 0 | 0 | 110.2 | L38 L66 I67 N101 | L38-P62 HydrophobicContact CD1-CG 4.16Å; P62-L66 HydrophobicContact CB-CB 4.18Å; P62-I67 HydrophobicContact CG-CB 3.74Å; P62-I67 HydrophobicContact CG-CD1 4.14Å; P62-I67 HydrophobicContact CG-CG1 4.48Å; P62-I67 HydrophobicContact CG-CG2 4.03Å; P62-N101 WeakPolarHBondContact O-CB 3.41Å | ||
| 63 | A | 77.4 | Confident | 88.5 | Confident | 32 Ų | 32 | 34.7 Ų | 34.7 | 26% | 0.264 | 19% | 0.186 | S | C | . | . | trans | -56.6 | 149 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D65 L66 K100 | A63-D65 WeakPolarHBondContact CB-OD1 3.27Å; A63-D65 PolarHBondContact O-N 2.99Å; A63-D65 VanDerWaalsContact O-N 3.12Å; A63-L66 HydrophobicContact CB-CD1 4.07Å; A63-L66 HydrophobicContact CB-CG 4.24Å; A63-L66 WeakPolarHBondContact O-CB 3.48Å; A63-L66 PolarHBondContact O-N 3.13Å; A63-K100 WeakPolarHBondContact CA-O 3.29Å | ||
| 64 | A | 79.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | H69 K100 | A64-H69 PolarHBondContact O-CE1 3.12Å; A64-K100 WeakPolarHBondContact CB-O 3.39Å; A64-K100 PolarHBondContact N-O 3.38Å |
| 65 | D | 81.5 | Confident | 88.6 | Confident | 138 Ų | 138 | 38.7 Ų | 38.7 | 74% | 0.738 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -19.3 | 173.8 | 57.9 | -37.5 | 0 | 0 | 0 | 113.5 | A63 | A63-D65 WeakPolarHBondContact CB-OD1 3.27Å; A63-D65 PolarHBondContact O-N 2.99Å; A63-D65 VanDerWaalsContact O-N 3.12Å |
| 66 | L | 82.8 | Confident | 88.6 | Confident | 122 Ų | 122 | 39 Ų | 39 | 64% | 0.639 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -91.7 | -1.3 | 179.3 | -61 | 178 | 0 | 0 | 0 | 113.5 | P62 A63 | P62-L66 HydrophobicContact CB-CB 4.18Å; A63-L66 HydrophobicContact CB-CD1 4.07Å; A63-L66 HydrophobicContact CB-CG 4.24Å; A63-L66 WeakPolarHBondContact O-CB 3.48Å; A63-L66 PolarHBondContact O-N 3.13Å |
| 67 | I | 85.5 | Confident | 88.6 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 7% | 0.072 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -134.4 | 129 | -177.7 | -172.2 | 167 | 0 | 0 | 0 | 112 | I35 L38 L61 P62 H69 L72 | I35-I67 HydrophobicContact CD1-CD1 3.86Å; I35-I67 HydrophobicContact CD1-CG1 3.77Å; L38-I67 HydrophobicContact CD1-CD1 3.83Å; L61-I67 HydrophobicContact CD2-CD1 4.16Å; P62-I67 HydrophobicContact CG-CB 3.74Å; P62-I67 HydrophobicContact CG-CD1 4.14Å; P62-I67 HydrophobicContact CG-CG1 4.48Å; P62-I67 HydrophobicContact CG-CG2 4.03Å; I67-H69 PolarHBondContact O-N 3.49Å; I67-H69 VanDerWaalsContact O-N 3.09Å; I67-H69 PolarHBondContact O-ND1 3.41Å; I67-L72 HydrophobicContact CD1-CB 4.25Å; I67-L72 HydrophobicContact CD1-CD1 4.34Å; I67-L72 HydrophobicContact CD1-CD2 4.02Å; I67-L72 HydrophobicContact CD1-CG 4.42Å; I67-L72 HydrophobicContact CG1-CB 4.47Å |
| 68 | D | 91.7 | Very high | 88.7 | Confident | 80 Ų | 80 | 42.9 Ų | 42.9 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | trans | -71.2 | 105.3 | 167.3 | -174.1 | -15.8 | 0 | 0 | 0 | 109.3 | Q70 H71 L72 | D68-Q70 VanDerWaalsContact C-N 3.27Å; D68-Q70 PolarHBondContact O-N 2.73Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.33Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.41Å; D68-Q70 PolarHBondContact OD1-N 3.37Å; D68-H71 HydrophobicContact CB-CB 3.77Å; D68-H71 PolarHBondContact O-N 3.22Å; D68-H71 PolarHBondContact OD1-N 2.96Å; D68-L72 WeakPolarHBondContact O-CB 3.48Å; D68-L72 PolarHBondContact O-N 2.96Å | ||
| 69 | H | 91.6 | Very high | 89 | Confident | 33 Ų | 33 | 43 Ų | 43 | 15% | 0.153 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -31 | 179.1 | -75.6 | 74.2 | 0 | 0 | 0 | 112.9 | A64 I67 L73 P103 W107 | A64-H69 PolarHBondContact O-CE1 3.12Å; I67-H69 PolarHBondContact O-N 3.49Å; I67-H69 VanDerWaalsContact O-N 3.09Å; I67-H69 PolarHBondContact O-ND1 3.41Å; H69-L73 WeakPolarHBondContact O-CB 3.47Å; H69-L73 PolarHBondContact O-N 3.28Å; H69-P103 WeakPolarHBondContact NE2-CA 3.06Å; H69-W107 HydrophobicContact CB-CG 4.3Å; H69-W107 PolarHBondContact O-NE1 3.25Å |
| 70 | Q | 93.9 | Very high | 89.3 | Confident | 81 Ų | 81 | 42.8 Ų | 42.8 | 38% | 0.379 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -70.1 | -41.9 | 176.2 | -177.1 | 60.3 | 21.1 | 0 | 0 | 110.1 | D68 L73 M74 | D68-Q70 VanDerWaalsContact C-N 3.27Å; D68-Q70 PolarHBondContact O-N 2.73Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.33Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.41Å; D68-Q70 PolarHBondContact OD1-N 3.37Å; Q70-L73 PolarHBondContact O-N 3.08Å; Q70-M74 WeakPolarHBondContact O-CG 3.15Å; Q70-M74 PolarHBondContact O-N 2.98Å |
| 71 | H | 93.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 44 Ų | 44 | 21% | 0.213 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 174.8 | -154.6 | -145.2 | 0 | 0 | 0 | 111.6 | Y32 D34 D68 L73 M74 Y75 | Y32-H71 AromaticContact CD1-CD2 3.4Å; Y32-H71 VanDerWaalsContact CD1-CD2 3.4Å; Y32-H71 WeakPolarHBondContact CD1-CD2 3.48Å; Y32-H71 AromaticContact CD1-CE1 3.54Å; Y32-H71 AromaticContact CD1-CG 3.94Å; Y32-H71 AromaticContact CD1-NE2 3.12Å; Y32-H71 WeakPolarHBondContact CD1-NE2 3.03Å; Y32-H71 AromaticContact CE1-CD2 3.39Å; Y32-H71 WeakPolarHBondContact CE1-CD2 3.45Å; Y32-H71 AromaticContact CE1-NE2 3.36Å; Y32-H71 WeakPolarHBondContact CE1-NE2 3.08Å; D34-H71 IonicContact OD1-CE1 3.12Å; D34-H71 PolarHBondContact OD1-CE1 3.41Å; D34-H71 IonicContact OD1-ND1 3.13Å; D34-H71 PolarHBondContact OD1-ND1 3.16Å; D34-H71 VanDerWaalsContact OD1-ND1 3.13Å; D34-H71 IonicContact OD2-CE1 3.8Å; D34-H71 IonicContact OD2-ND1 2.99Å; D34-H71 PolarHBondContact OD2-ND1 3.07Å; D68-H71 HydrophobicContact CB-CB 3.77Å; D68-H71 PolarHBondContact O-N 3.22Å; D68-H71 PolarHBondContact OD1-N 2.96Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 PolarHBondContact O-N 3.47Å; H71-M74 PolarHBondContact O-N 2.88Å; H71-M74 VanDerWaalsContact O-N 3.16Å; H71-Y75 PolarHBondContact O-N 3.33Å |
| 72 | L | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.9 | -45.8 | 171.2 | 174.4 | 64.3 | 0 | 0 | 0 | 111.9 | I35 L61 I67 D68 M74 Y75 I76 W107 | I35-L72 HydrophobicContact CD1-CB 4.24Å; I35-L72 HydrophobicContact CG2-CD1 3.63Å; L61-L72 HydrophobicContact CD2-CD2 3.74Å; I67-L72 HydrophobicContact CD1-CB 4.25Å; I67-L72 HydrophobicContact CD1-CD1 4.34Å; I67-L72 HydrophobicContact CD1-CD2 4.02Å; I67-L72 HydrophobicContact CD1-CG 4.42Å; I67-L72 HydrophobicContact CG1-CB 4.47Å; D68-L72 WeakPolarHBondContact O-CB 3.48Å; D68-L72 PolarHBondContact O-N 2.96Å; L72-M74 VanDerWaalsContact C-N 3.34Å; L72-M74 PolarHBondContact O-N 3.32Å; L72-Y75 PolarHBondContact O-N 3.1Å; L72-I76 HydrophobicContact CD1-CD1 3.84Å; L72-I76 HydrophobicContact CD1-CG1 4.15Å; L72-I76 HydrophobicContact CG-CD1 3.8Å; L72-I76 WeakPolarHBondContact O-CD1 3.47Å; L72-I76 WeakPolarHBondContact O-CG1 3.26Å; L72-I76 PolarHBondContact O-N 2.89Å; L72-W107 HydrophobicContact CD2-CH2 4.45Å; L72-W107 HydrophobicContact CD2-CZ2 4.21Å; L72-W107 HydrophobicContact CG-CZ2 4.37Å |
| 73 | L | 95.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.8 | -179.8 | 56.3 | 0 | 0 | 0 | 112 | H69 Q70 H71 T77 W107 Q110 A111 F115 | H69-L73 WeakPolarHBondContact O-CB 3.47Å; H69-L73 PolarHBondContact O-N 3.28Å; Q70-L73 PolarHBondContact O-N 3.08Å; H71-L73 VanDerWaalsContact C-N 3.32Å; H71-L73 PolarHBondContact O-N 3.47Å; L73-T77 VanDerWaalsContact O-CB 3.31Å; L73-T77 WeakPolarHBondContact O-CB 3.23Å; L73-T77 PolarHBondContact O-N 2.97Å; L73-T77 PolarHBondContact O-OG1 2.69Å; L73-W107 HydrophobicContact CB-CZ2 3.86Å; L73-W107 HydrophobicContact CD1-CZ2 4.26Å; L73-Q110 HydrophobicContact CD2-CG 4Å; L73-A111 HydrophobicContact CD1-CB 3.61Å; L73-A111 HydrophobicContact CD2-CB 4.36Å; L73-F115 HydrophobicContact CD1-CE2 4.19Å; L73-F115 HydrophobicContact CD1-CZ 3.83Å |
| 74 | M | 95.4 | Very high | 91.5 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 41% | 0.414 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -45 | 176.4 | -71 | 179.1 | 67.1 | 0 | 0 | 111.5 | Y32 Q70 H71 L72 T77 K78 | Y32-M74 HydrophobicContact CE1-CB 3.77Å; Q70-M74 WeakPolarHBondContact O-CG 3.15Å; Q70-M74 PolarHBondContact O-N 2.98Å; H71-M74 PolarHBondContact O-N 2.88Å; H71-M74 VanDerWaalsContact O-N 3.16Å; L72-M74 VanDerWaalsContact C-N 3.34Å; L72-M74 PolarHBondContact O-N 3.32Å; M74-T77 WeakPolarHBondContact O-CB 3.39Å; M74-T77 PolarHBondContact O-N 3.02Å; M74-K78 WeakPolarHBondContact O-CG 3.39Å; M74-K78 PolarHBondContact O-N 3.46Å |
| 75 | Y | 94.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.7 | -52.6 | 174.1 | 178.1 | -107.7 | 0 | 0 | 0 | 111.6 | Q25 I28 D29 Y32 I35 L41 H71 L72 T77 K78 T79 | Q25-Y75 PolarHBondContact NE2-OH 2.66Å; I28-Y75 HydrophobicContact CG2-CD2 3.77Å; I28-Y75 HydrophobicContact CG2-CE2 3.77Å; D29-Y75 VanDerWaalsContact OD1-CE2 3.28Å; D29-Y75 WeakPolarHBondContact OD1-CE2 3.49Å; D29-Y75 PolarHBondContact OD1-OH 2.93Å; Y32-Y75 VanDerWaalsContact CB-CD2 3.45Å; Y32-Y75 HydrophobicContact CD1-CD2 4.39Å; Y32-Y75 AromaticContact CD2-CD2 3.92Å; Y32-Y75 HydrophobicContact CD2-CD2 3.92Å; Y32-Y75 AromaticContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CD2 3.68Å; Y32-Y75 HydrophobicContact CG-CG 4.27Å; I35-Y75 HydrophobicContact CB-CD1 4.17Å; I35-Y75 HydrophobicContact CB-CG 4.1Å; I35-Y75 HydrophobicContact CG2-CD1 3.38Å; I35-Y75 HydrophobicContact CG2-CE1 3.99Å; I35-Y75 HydrophobicContact CG2-CG 3.76Å; L41-Y75 HydrophobicContact CB-CE1 4.1Å; H71-Y75 PolarHBondContact O-N 3.33Å; L72-Y75 PolarHBondContact O-N 3.1Å; Y75-T77 PolarHBondContact O-N 2.91Å; Y75-K78 PolarHBondContact O-N 3.49Å; Y75-T79 WeakPolarHBondContact O-CB 3.32Å; Y75-T79 PolarHBondContact O-N 3.09Å; Y75-T79 PolarHBondContact O-OG1 3.23Å |
| 76 | I | 95.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 177.8 | -62 | 159.5 | 0 | 0 | 0 | 110.7 | L41 F56 L72 L80 W107 F115 | L41-I76 HydrophobicContact CD2-CB 4.28Å; L41-I76 HydrophobicContact CD2-CG1 4.26Å; L41-I76 HydrophobicContact CD2-CG2 4.13Å; F56-I76 HydrophobicContact CD2-CD1 4.43Å; F56-I76 HydrophobicContact CE2-CD1 3.68Å; F56-I76 HydrophobicContact CE2-CG1 4.24Å; L72-I76 HydrophobicContact CD1-CD1 3.84Å; L72-I76 HydrophobicContact CD1-CG1 4.15Å; L72-I76 HydrophobicContact CG-CD1 3.8Å; L72-I76 WeakPolarHBondContact O-CD1 3.47Å; L72-I76 WeakPolarHBondContact O-CG1 3.26Å; L72-I76 PolarHBondContact O-N 2.89Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.21Å; I76-L80 VanDerWaalsContact O-CB 3.32Å; I76-L80 WeakPolarHBondContact O-CB 3.39Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.19Å; I76-L80 PolarHBondContact O-N 3.05Å; I76-W107 HydrophobicContact CD1-CH2 4.34Å; I76-F115 HydrophobicContact CB-CZ 4.29Å; I76-F115 HydrophobicContact CG2-CE1 4.22Å; I76-F115 HydrophobicContact CG2-CE2 4.43Å; I76-F115 HydrophobicContact CG2-CZ 3.57Å |
| 77 | T | 95.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | 178.8 | -58 | 0 | 0 | 0 | 0 | 110.9 | L73 M74 Y75 L80 E81 T114 F119 | L73-T77 VanDerWaalsContact O-CB 3.31Å; L73-T77 WeakPolarHBondContact O-CB 3.23Å; L73-T77 PolarHBondContact O-N 2.97Å; L73-T77 PolarHBondContact O-OG1 2.69Å; M74-T77 WeakPolarHBondContact O-CB 3.39Å; M74-T77 PolarHBondContact O-N 3.02Å; Y75-T77 PolarHBondContact O-N 2.91Å; T77-L80 PolarHBondContact O-N 3.34Å; T77-E81 VanDerWaalsContact O-CG 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.44Å; T77-E81 PolarHBondContact O-N 3Å; T77-T114 HydrophobicContact CG2-CG2 4.13Å; T77-F119 HydrophobicContact CG2-CE1 4.39Å; T77-F119 HydrophobicContact CG2-CZ 3.77Å |
| 78 | K | 94.3 | Very high | 93.4 | Very high | 89 Ų | 89 | 42.4 Ų | 42.4 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 179.9 | -72.4 | -75.2 | 158.5 | -149.9 | 0 | 112.1 | I28 Y32 M74 Y75 L80 E81 | I28-K78 HydrophobicContact CD1-CB 4.19Å; I28-K78 WeakPolarHBondContact CD1-O 3.36Å; I28-K78 HydrophobicContact CG1-CB 4.22Å; I28-K78 HydrophobicContact CG2-CB 3.99Å; Y32-K78 HydrophobicContact CE2-CG 4.38Å; M74-K78 WeakPolarHBondContact O-CG 3.39Å; M74-K78 PolarHBondContact O-N 3.46Å; Y75-K78 PolarHBondContact O-N 3.49Å; K78-L80 PolarHBondContact O-N 2.86Å; K78-E81 IonicContact NZ-OE1 3.53Å; K78-E81 IonicContact NZ-OE2 2.85Å; K78-E81 PolarHBondContact NZ-OE2 3.35Å; K78-E81 WeakPolarHBondContact O-CB 3.12Å; K78-E81 PolarHBondContact O-N 2.99Å |
| 79 | T | 93.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 175.7 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | Q25 L41 Y75 Q82 Y83 | Q25-T79 PolarHBondContact NE2-OG1 2.83Å; Q25-T79 VanDerWaalsContact OE1-CG2 3.24Å; L41-T79 HydrophobicContact CD2-CG2 3.41Å; L41-T79 VanDerWaalsContact CD2-CG2 3.41Å; L41-T79 HydrophobicContact CG-CG2 4.11Å; Y75-T79 WeakPolarHBondContact O-CB 3.32Å; Y75-T79 PolarHBondContact O-N 3.09Å; Y75-T79 PolarHBondContact O-OG1 3.23Å; T79-Q82 WeakPolarHBondContact O-CG 3.4Å; T79-Y83 HydrophobicContact CG2-CE2 4.41Å; T79-Y83 VanDerWaalsContact O-CD2 3.29Å; T79-Y83 WeakPolarHBondContact O-CD2 3.42Å; T79-Y83 WeakPolarHBondContact O-CE2 3.23Å |
| 80 | L | 94.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.5 | -29.4 | 178.1 | -69.8 | -179.6 | 0 | 0 | 0 | 112.9 | I54 I76 T77 K78 Q82 Y83 V84 Y88 F115 F119 | I54-L80 HydrophobicContact CB-CD2 4.39Å; I54-L80 HydrophobicContact CG1-CD2 4.3Å; I54-L80 HydrophobicContact CG2-CD2 4.05Å; I76-L80 HydrophobicContact CG2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CG 4.21Å; I76-L80 VanDerWaalsContact O-CB 3.32Å; I76-L80 WeakPolarHBondContact O-CB 3.39Å; I76-L80 VanDerWaalsContact O-CG 3.26Å; I76-L80 WeakPolarHBondContact O-CG 3.19Å; I76-L80 PolarHBondContact O-N 3.05Å; T77-L80 PolarHBondContact O-N 3.34Å; K78-L80 PolarHBondContact O-N 2.86Å; L80-Q82 PolarHBondContact O-N 3.15Å; L80-Q82 VanDerWaalsContact O-N 3.16Å; L80-Y83 PolarHBondContact O-N 3.25Å; L80-V84 VanDerWaalsContact O-CG1 3.27Å; L80-V84 WeakPolarHBondContact O-CG1 3.34Å; L80-V84 PolarHBondContact O-N 3.15Å; L80-Y88 HydrophobicContact CD2-CE2 4.47Å; L80-F115 HydrophobicContact CD1-CE1 4.09Å; L80-F115 HydrophobicContact CD1-CZ 4.34Å; L80-F119 HydrophobicContact CB-CD1 3.87Å; L80-F119 HydrophobicContact CB-CE1 3.82Å |
| 81 | E | 94 | Very high | 93.8 | Very high | 82 Ų | 82 | 34.8 Ų | 34.8 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -53.3 | -33.1 | 176.6 | -84 | 173 | 178.6 | 0 | 0 | 112.5 | T77 K78 Y83 V84 F119 | T77-E81 VanDerWaalsContact O-CG 3.3Å; T77-E81 WeakPolarHBondContact O-CG 3.44Å; T77-E81 PolarHBondContact O-N 3Å; K78-E81 IonicContact NZ-OE1 3.53Å; K78-E81 IonicContact NZ-OE2 2.85Å; K78-E81 PolarHBondContact NZ-OE2 3.35Å; K78-E81 WeakPolarHBondContact O-CB 3.12Å; K78-E81 PolarHBondContact O-N 2.99Å; E81-Y83 PolarHBondContact O-N 2.8Å; E81-V84 WeakPolarHBondContact O-CG2 3.46Å; E81-F119 HydrophobicContact CG-CE1 3.99Å; E81-F119 HydrophobicContact CG-CZ 3.7Å |
| 82 | Q | 91.3 | Very high | 94 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 23% | 0.234 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.5 | 178.1 | 83.1 | -157.2 | 3.4 | 0 | 0 | 113.9 | V24 T79 L80 | V24-Q82 HydrophobicContact CG1-CB 4.23Å; T79-Q82 WeakPolarHBondContact O-CG 3.4Å; L80-Q82 PolarHBondContact O-N 3.15Å; L80-Q82 VanDerWaalsContact O-N 3.16Å |
| 83 | Y | 92 | Very high | 94 | Very high | 34 Ų | 34 | 34.2 Ų | 34.2 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -12.7 | -178.3 | -56.3 | -71.7 | 0 | 0 | 0 | 113.6 | K52 I54 T79 L80 E81 S85 I86 | K52-Y83 HydrophobicContact CB-CD1 3.93Å; K52-Y83 HydrophobicContact CB-CE1 4.17Å; K52-Y83 HydrophobicContact CD-CE1 4.41Å; K52-Y83 HydrophobicContact CG-CD1 4.09Å; K52-Y83 HydrophobicContact CG-CE1 4.21Å; I54-Y83 HydrophobicContact CD1-CD1 4.23Å; I54-Y83 HydrophobicContact CD1-CD2 3.7Å; I54-Y83 HydrophobicContact CD1-CE2 4.06Å; I54-Y83 HydrophobicContact CD1-CG 3.78Å; I54-Y83 HydrophobicContact CG1-CD2 3.67Å; I54-Y83 HydrophobicContact CG1-CE2 3.57Å; I54-Y83 HydrophobicContact CG1-CG 4.23Å; T79-Y83 HydrophobicContact CG2-CE2 4.41Å; T79-Y83 VanDerWaalsContact O-CD2 3.29Å; T79-Y83 WeakPolarHBondContact O-CD2 3.42Å; T79-Y83 WeakPolarHBondContact O-CE2 3.23Å; L80-Y83 PolarHBondContact O-N 3.25Å; E81-Y83 PolarHBondContact O-N 2.8Å; Y83-S85 PolarHBondContact O-N 3Å; Y83-I86 HydrophobicContact CD1-CD1 4.27Å; Y83-I86 VanDerWaalsContact O-CG1 3.3Å; Y83-I86 WeakPolarHBondContact O-CG1 3.42Å; Y83-I86 PolarHBondContact O-N 3.12Å |
| 84 | V | 91.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 19% | 0.188 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.7 | -171.6 | -57.1 | 0 | 0 | 0 | 0 | 114 | L80 E81 F119 N122 | L80-V84 VanDerWaalsContact O-CG1 3.27Å; L80-V84 WeakPolarHBondContact O-CG1 3.34Å; L80-V84 PolarHBondContact O-N 3.15Å; E81-V84 WeakPolarHBondContact O-CG2 3.46Å; V84-F119 HydrophobicContact CG1-CB 4.26Å; V84-F119 HydrophobicContact CG1-CD1 3.32Å; V84-F119 HydrophobicContact CG1-CE1 3.66Å; V84-F119 HydrophobicContact CG1-CG 3.82Å; V84-F119 HydrophobicContact CG1-CZ 4.4Å; V84-N122 PolarHBondContact O-ND2 2.95Å |
| 85 | S | 89 | Confident | 93.4 | Very high | 93 Ų | 93 | 33.6 Ų | 33.6 | 65% | 0.65 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.2 | 178.2 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | Y83 N122 | Y83-S85 PolarHBondContact O-N 3Å; S85-N122 VanDerWaalsContact C-ND2 3.3Å; S85-N122 PolarHBondContact O-ND2 2.98Å |
| 86 | I | 91.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 34.5 Ų | 34.5 | 38% | 0.379 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -119.8 | 163.7 | -177.5 | 58.6 | 175.3 | 0 | 0 | 0 | 111.3 | K52 Y83 Y88 N122 | K52-I86 HydrophobicContact CB-CD1 4.33Å; K52-I86 HydrophobicContact CG-CD1 3.54Å; Y83-I86 HydrophobicContact CD1-CD1 4.27Å; Y83-I86 VanDerWaalsContact O-CG1 3.3Å; Y83-I86 WeakPolarHBondContact O-CG1 3.42Å; Y83-I86 PolarHBondContact O-N 3.12Å; I86-Y88 WeakPolarHBondContact O-CD1 3.31Å; I86-Y88 PolarHBondContact O-N 3.25Å; I86-N122 WeakPolarHBondContact O-CB 3.5Å |
| 87 | D | 94.1 | Very high | 91.9 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 35% | 0.353 | 19% | 0.189 | S | C | . | . | trans | -71.8 | 126.4 | 177.6 | -73.4 | -15.1 | 0 | 0 | 0 | 110.7 | R51 K52 N122 K124 | R51-D87 WeakPolarHBondContact CB-O 3.14Å; R51-D87 HydrophobicContact CG-CB 4.08Å; K52-D87 PolarHBondContact N-O 2.96Å; D87-N122 WeakPolarHBondContact CA-O 3.16Å; D87-K124 HydrophobicContact CB-CG 4.27Å; D87-K124 WeakPolarHBondContact OD1-CE 3.36Å; D87-K124 IonicContact OD1-NZ 3.21Å; D87-K124 PolarHBondContact OD1-NZ 3.46Å; D87-K124 WeakPolarHBondContact OD2-CE 3.39Å; D87-K124 IonicContact OD2-NZ 3.96Å; D87-K124 PolarHBondContact OD2-NZ 3.46Å | ||
| 88 | Y | 94.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.4 | -175.9 | 73.7 | -85.9 | 0 | 0 | 0 | 113.6 | K52 I54 L80 I86 F119 N122 L123 K124 | K52-Y88 CarbonylContact O-C 3.6Å; K52-Y88 WeakPolarHBondContact O-CA 3.47Å; K52-Y88 WeakPolarHBondContact O-CB 3.47Å; I54-Y88 HydrophobicContact CD1-CD2 3.6Å; I54-Y88 HydrophobicContact CD1-CE2 4.47Å; I54-Y88 HydrophobicContact CD1-CG 4.05Å; L80-Y88 HydrophobicContact CD2-CE2 4.47Å; I86-Y88 WeakPolarHBondContact O-CD1 3.31Å; I86-Y88 PolarHBondContact O-N 3.25Å; Y88-F119 PolarHBondContact OH-O 3.37Å; Y88-N122 HydrophobicContact CD1-CB 4.46Å; Y88-N122 PolarHBondContact N-O 2.87Å; Y88-N122 VanDerWaalsContact N-O 3.13Å; Y88-L123 HydrophobicContact CD2-CD1 3.88Å; Y88-L123 HydrophobicContact CE1-CB 4Å; Y88-L123 HydrophobicContact CE2-CB 4.05Å; Y88-L123 HydrophobicContact CE2-CD1 3.57Å; Y88-L123 HydrophobicContact CE2-CG 4.31Å; Y88-L123 CarbonylContact O-C 3.51Å; Y88-L123 WeakPolarHBondContact O-CA 3.44Å; Y88-K124 PolarHBondContact O-N 3.26Å |
| 89 | V | 94.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.8 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 108.7 | K52 I53 I54 I91 T125 | K52-V89 PolarHBondContact O-N 3.02Å; I53-V89 WeakPolarHBondContact CA-O 3.3Å; I54-V89 PolarHBondContact N-O 3.07Å; V89-I91 HydrophobicContact CG1-CG1 4.25Å; V89-T125 WeakPolarHBondContact CA-O 3.48Å |
| 90 | L | 96.1 | Very high | 88.7 | Confident | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.5 | 174.9 | -177.8 | 58.7 | 0 | 0 | 0 | 109.1 | L41 I54 L123 T125 L126 C127 | L41-L90 HydrophobicContact CD1-CD1 4.48Å; I54-L90 HydrophobicContact CB-CD1 4.01Å; I54-L90 HydrophobicContact CG2-CD1 3.95Å; I54-L90 CarbonylContact O-C 3.49Å; I54-L90 WeakPolarHBondContact O-CA 3.42Å; I54-L90 WeakPolarHBondContact O-CD1 3.22Å; L90-L123 HydrophobicContact CB-CD1 3.94Å; L90-T125 PolarHBondContact N-O 2.87Å; L90-L126 HydrophobicContact CB-CD1 3.93Å; L90-L126 HydrophobicContact CD2-CD1 3.81Å; L90-L126 HydrophobicContact CG-CD1 3.75Å; L90-L126 CarbonylContact O-C 3.47Å; L90-L126 WeakPolarHBondContact O-CA 3.42Å; L90-C127 PolarHBondContact O-N 3.42Å |
| 91 | I | 96.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.8 | 175.7 | -56.7 | 176.3 | 0 | 0 | 0 | 107.8 | I53 I54 V55 F56 V89 F93 C127 V129 L167 L172 | I53-I91 HydrophobicContact CG2-CD1 3.53Å; I53-I91 HydrophobicContact CG2-CG1 4.01Å; I54-I91 PolarHBondContact O-N 3Å; V55-I91 CarbonylContact C-O 3.52Å; V55-I91 WeakPolarHBondContact CA-O 3.26Å; V55-I91 HydrophobicContact CG2-CB 4.24Å; V55-I91 HydrophobicContact CG2-CD1 4.4Å; F56-I91 PolarHBondContact N-O 3.25Å; V89-I91 HydrophobicContact CG1-CG1 4.25Å; I91-F93 HydrophobicContact CG2-CD1 4.41Å; I91-F93 HydrophobicContact CG2-CE1 3.97Å; I91-F93 HydrophobicContact CG2-CE2 4.17Å; I91-F93 HydrophobicContact CG2-CZ 3.82Å; I91-C127 CarbonylContact C-O 3.58Å; I91-C127 WeakPolarHBondContact CA-O 3.19Å; I91-V129 HydrophobicContact CG2-CG2 3.81Å; I91-L167 HydrophobicContact CD1-CD1 3.5Å; I91-L167 VanDerWaalsContact CD1-CD1 3.5Å; I91-L167 HydrophobicContact CD1-CD2 4.44Å; I91-L167 HydrophobicContact CG1-CD1 4.26Å; I91-L172 HydrophobicContact CD1-CD1 3.6Å; I91-L172 HydrophobicContact CD1-CD2 3.91Å; I91-L172 HydrophobicContact CD1-CG 4.43Å |
| 92 | Y | 96.5 | Very high | 87.2 | Confident | 34 Ų | 34 | 49.9 Ų | 49.9 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103.6 | 176.2 | 175.6 | -129.3 | 0 | 0 | 0 | 109.6 | F56 A58 H94 C127 I128 V129 | F56-Y92 HydrophobicContact CB-CD2 4.15Å; F56-Y92 AromaticContact CD1-CD2 3.51Å; F56-Y92 HydrophobicContact CD1-CD2 3.51Å; F56-Y92 AromaticContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CD1-CE2 3.54Å; F56-Y92 HydrophobicContact CE1-CD2 4.31Å; F56-Y92 AromaticContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CE1-CE2 3.89Å; F56-Y92 HydrophobicContact CG-CD2 4.14Å; F56-Y92 WeakPolarHBondContact O-CA 3.46Å; A58-Y92 HydrophobicContact CB-CE2 3.91Å; Y92-H94 HydrophobicContact CD1-CB 4.22Å; Y92-H94 HydrophobicContact CE1-CB 3.78Å; Y92-H94 AromaticContact CE1-CG 3.92Å; Y92-H94 AromaticContact CE1-ND1 3.38Å; Y92-H94 WeakPolarHBondContact CE1-ND1 3.32Å; Y92-H94 AromaticContact CZ-ND1 3.56Å; Y92-H94 PolarHBondContact O-N 2.9Å; Y92-H94 VanDerWaalsContact O-N 3.16Å; Y92-H94 PolarHBondContact OH-ND1 3.34Å; Y92-H94 VanDerWaalsContact OH-ND1 3.08Å; Y92-C127 PolarHBondContact N-O 3.27Å; Y92-I128 HydrophobicContact CD1-CB 4.42Å; Y92-I128 HydrophobicContact CD1-CG1 4.08Å; Y92-I128 HydrophobicContact CD1-CG2 3.89Å; Y92-I128 HydrophobicContact CE1-CG2 4.43Å; Y92-V129 PolarHBondContact O-N 3.26Å |
| 93 | F | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 101.2 | 169.2 | -64.8 | -60.3 | 0 | 0 | 0 | 108.6 | V55 F56 A58 I91 V129 L160 I174 V178 | V55-F93 HydrophobicContact CG1-CD2 3.53Å; V55-F93 HydrophobicContact CG1-CE2 3.4Å; V55-F93 HydrophobicContact CG2-CE2 4.38Å; F56-F93 PolarHBondContact O-N 3Å; A58-F93 VanDerWaalsContact CB-O 3.22Å; A58-F93 WeakPolarHBondContact CB-O 3.25Å; A58-F93 PolarHBondContact N-O 3.49Å; I91-F93 HydrophobicContact CG2-CD1 4.41Å; I91-F93 HydrophobicContact CG2-CE1 3.97Å; I91-F93 HydrophobicContact CG2-CE2 4.17Å; I91-F93 HydrophobicContact CG2-CZ 3.82Å; F93-V129 HydrophobicContact CD1-CB 3.69Å; F93-V129 HydrophobicContact CD1-CG1 3.88Å; F93-V129 HydrophobicContact CD1-CG2 3.93Å; F93-V129 HydrophobicContact CE1-CB 4.06Å; F93-V129 HydrophobicContact CE1-CG1 4.03Å; F93-V129 HydrophobicContact CE1-CG2 3.88Å; F93-L160 HydrophobicContact CE1-CD2 3.71Å; F93-I174 HydrophobicContact CE1-CG2 4.34Å; F93-I174 HydrophobicContact CE2-CB 4.49Å; F93-I174 HydrophobicContact CE2-CG1 4.18Å; F93-I174 HydrophobicContact CE2-CG2 4.36Å; F93-I174 HydrophobicContact CZ-CB 4.36Å; F93-I174 HydrophobicContact CZ-CD1 4.21Å; F93-I174 HydrophobicContact CZ-CG1 3.75Å; F93-I174 HydrophobicContact CZ-CG2 4.11Å; F93-V178 HydrophobicContact CB-CG1 4.5Å; F93-V178 HydrophobicContact CB-CG2 4.04Å; F93-V178 HydrophobicContact CD1-CG1 3.76Å; F93-V178 HydrophobicContact CE1-CG1 4.3Å; F93-V178 HydrophobicContact CG-CG1 4.24Å; F93-V178 HydrophobicContact CG-CG2 4.35Å |
| 94 | H | 92 | Very high | 86.7 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | trans | -75.5 | -26.7 | -174.2 | -177.5 | 58.4 | 0 | 0 | 0 | 112.9 | Y92 G96 L97 I128 V129 H130 T132 | Y92-H94 HydrophobicContact CD1-CB 4.22Å; Y92-H94 HydrophobicContact CE1-CB 3.78Å; Y92-H94 AromaticContact CE1-CG 3.92Å; Y92-H94 AromaticContact CE1-ND1 3.38Å; Y92-H94 WeakPolarHBondContact CE1-ND1 3.32Å; Y92-H94 AromaticContact CZ-ND1 3.56Å; Y92-H94 PolarHBondContact O-N 2.9Å; Y92-H94 VanDerWaalsContact O-N 3.16Å; Y92-H94 PolarHBondContact OH-ND1 3.34Å; Y92-H94 VanDerWaalsContact OH-ND1 3.08Å; H94-G96 PolarHBondContact O-N 2.91Å; H94-L97 WeakPolarHBondContact O-CB 3.22Å; H94-L97 PolarHBondContact O-N 3.4Å; H94-L97 VanDerWaalsContact O-N 3.15Å; H94-I128 HydrophobicContact CB-CG2 4.17Å; H94-V129 WeakPolarHBondContact CB-O 3.48Å; H94-V129 PolarHBondContact N-O 2.93Å; H94-V129 VanDerWaalsContact N-O 3.08Å; H94-H130 PolarHBondContact CD2-O 3.18Å; H94-T132 WeakPolarHBondContact NE2-CG2 3.5Å; H94-T132 PolarHBondContact NE2-OG1 2.78Å | ||
| 95 | F | 87.7 | Confident | 86.3 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 136.7 | 179.3 | -178.7 | -104.9 | 0 | 0 | 0 | 111.9 | C59 H130 R177 V178 Y181 | C59-F95 WeakPolarHBondContact CB-O 3.5Å; C59-F95 PolarHBondContact N-O 2.82Å; C59-F95 VanDerWaalsContact N-O 3.16Å; F95-H130 HydrophobicContact CB-CB 4.47Å; F95-R177 HydrophobicContact CD1-CB 4.48Å; F95-R177 HydrophobicContact CE1-CB 4.09Å; F95-R177 VanDerWaalsContact CE1-O 3.27Å; F95-R177 WeakPolarHBondContact CE1-O 3.44Å; F95-V178 HydrophobicContact CB-CG2 4.41Å; F95-V178 HydrophobicContact CD1-CG2 4.31Å; F95-Y181 HydrophobicContact CB-CD1 4.31Å; F95-Y181 HydrophobicContact CD1-CG 4.23Å; F95-Y181 AromaticContact CD2-CD1 3.66Å; F95-Y181 HydrophobicContact CD2-CD1 3.66Å; F95-Y181 AromaticContact CD2-CD2 3.44Å; F95-Y181 HydrophobicContact CD2-CD2 3.44Å; F95-Y181 VanDerWaalsContact CD2-CD2 3.44Å; F95-Y181 AromaticContact CD2-CE1 3.99Å; F95-Y181 HydrophobicContact CD2-CE1 3.99Å; F95-Y181 AromaticContact CD2-CE2 3.76Å; F95-Y181 HydrophobicContact CD2-CE2 3.76Å; F95-Y181 AromaticContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CE1-CG 4.26Å; F95-Y181 HydrophobicContact CE2-CD1 4.18Å; F95-Y181 AromaticContact CE2-CD2 3.08Å; F95-Y181 HydrophobicContact CE2-CD2 3.08Å; F95-Y181 AromaticContact CE2-CE2 3.58Å; F95-Y181 HydrophobicContact CE2-CE2 3.58Å; F95-Y181 AromaticContact CE2-CG 3.41Å; F95-Y181 HydrophobicContact CE2-CG 3.41Å; F95-Y181 VanDerWaalsContact CE2-CG 3.41Å; F95-Y181 AromaticContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD2 4.32Å; F95-Y181 AromaticContact CG-CG 3.8Å; F95-Y181 HydrophobicContact CG-CG 3.8Å; F95-Y181 AromaticContact CZ-CD2 3.71Å; F95-Y181 HydrophobicContact CZ-CD2 3.71Å; F95-Y181 AromaticContact CZ-CG 3.88Å; F95-Y181 HydrophobicContact CZ-CG 3.88Å |
| 96 | G | 78.2 | Confident | 86.3 | Confident | 24 Ų | 24 | 62 Ų | 62 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | -5.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H94 T98 N101 | H94-G96 PolarHBondContact O-N 2.91Å; G96-T98 PolarHBondContact O-N 2.87Å; G96-N101 PolarHBondContact O-ND2 3.39Å |
| 97 | L | 79.1 | Confident | 86.3 | Confident | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.204 | 29% | 0.285 | C | S | . | . | trans | -73.5 | 123.3 | 168.3 | -158.7 | 78.8 | 0 | 0 | 0 | 110.2 | A58 L61 H94 N101 R102 | A58-L97 HydrophobicContact CB-CB 3.91Å; A58-L97 HydrophobicContact CB-CD1 4.06Å; L61-L97 HydrophobicContact CD1-CD1 4.04Å; H94-L97 WeakPolarHBondContact O-CB 3.22Å; H94-L97 PolarHBondContact O-N 3.4Å; H94-L97 VanDerWaalsContact O-N 3.15Å; L97-N101 WeakPolarHBondContact CA-OD1 3.33Å; L97-R102 HydrophobicContact CD1-CB 4.34Å; L97-R102 HydrophobicContact CD2-CB 4.32Å; L97-R102 HydrophobicContact CD2-CG 4.11Å; L97-R102 HydrophobicContact CG-CB 4.14Å; L97-R102 HydrophobicContact CG-CG 4.48Å | ||
| 98 | T | 74.2 | Confident | 86 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 44% | 0.436 | 28% | 0.278 | S | S | . | . | trans | -132.3 | 170.4 | 179.5 | 68.5 | 0 | 0 | 0 | 0 | 109.9 | G96 K100 N101 R102 | G96-T98 PolarHBondContact O-N 2.87Å; T98-K100 PolarHBondContact O-N 3.46Å; T98-K100 VanDerWaalsContact O-N 3.1Å; T98-K100 PolarHBondContact OG1-N 3.32Å; T98-N101 PolarHBondContact N-OD1 3.31Å; T98-N101 PolarHBondContact O-N 2.83Å; T98-N101 PolarHBondContact O-OD1 2.92Å; T98-N101 PolarHBondContact OG1-OD1 2.89Å; T98-R102 WeakPolarHBondContact O-CB 3.33Å; T98-R102 PolarHBondContact O-N 2.85Å | ||
| 99 | N | 69.8 | Low | 85.7 | Confident | 151 Ų | 151 | 60 Ų | 60 | 81% | 0.807 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.8 | 174.7 | -69.2 | -27.8 | 0 | 0 | 0 | 113.4 | ||
| 100 | K | 71.6 | Confident | 85.5 | Confident | 161 Ų | 161 | 63.4 Ų | 63.4 | 70% | 0.7 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -33.9 | 179.3 | -63.9 | -174.8 | 178.8 | -177.2 | 0 | 113.2 | A63 A64 T98 | A63-K100 WeakPolarHBondContact CA-O 3.29Å; A64-K100 WeakPolarHBondContact CB-O 3.39Å; A64-K100 PolarHBondContact N-O 3.38Å; T98-K100 PolarHBondContact O-N 3.46Å; T98-K100 VanDerWaalsContact O-N 3.1Å; T98-K100 PolarHBondContact OG1-N 3.32Å |
| 101 | N | 76.4 | Confident | 85.3 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -4.9 | -176.9 | 64 | 11.4 | 0 | 0 | 0 | 114 | L61 P62 G96 L97 T98 P103 | L61-N101 HydrophobicContact CB-CB 4.25Å; L61-N101 PolarHBondContact O-ND2 2.91Å; P62-N101 WeakPolarHBondContact O-CB 3.41Å; G96-N101 PolarHBondContact O-ND2 3.39Å; L97-N101 WeakPolarHBondContact CA-OD1 3.33Å; T98-N101 PolarHBondContact N-OD1 3.31Å; T98-N101 PolarHBondContact O-N 2.83Å; T98-N101 PolarHBondContact O-OD1 2.92Å; T98-N101 PolarHBondContact OG1-OD1 2.89Å; N101-P103 WeakPolarHBondContact O-CD 3.42Å |
| 102 | R | 81.3 | Confident | 84.8 | Confident | 91 Ų | 91 | 64 Ų | 64 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 128.9 | -177.1 | 175.1 | 176.8 | 178.5 | -171.1 | 2.7 | 111.7 | L97 T98 | L97-R102 HydrophobicContact CD1-CB 4.34Å; L97-R102 HydrophobicContact CD2-CB 4.32Å; L97-R102 HydrophobicContact CD2-CG 4.11Å; L97-R102 HydrophobicContact CG-CB 4.14Å; L97-R102 HydrophobicContact CG-CG 4.48Å; T98-R102 WeakPolarHBondContact O-CB 3.33Å; T98-R102 PolarHBondContact O-N 2.85Å |
| 103 | P | 84.7 | Confident | 84.5 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 7% | 0.065 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 143.2 | 169.6 | -27.1 | 35.9 | 0 | 0 | 0 | 113.4 | H69 N101 W107 L108 | H69-P103 WeakPolarHBondContact NE2-CA 3.06Å; N101-P103 WeakPolarHBondContact O-CD 3.42Å; P103-W107 HydrophobicContact CB-CB 4.38Å; P103-W107 HydrophobicContact CB-CD2 3.78Å; P103-W107 HydrophobicContact CB-CE3 3.25Å; P103-W107 HydrophobicContact CB-CG 4.27Å; P103-W107 HydrophobicContact CB-CZ3 3.77Å; P103-W107 HydrophobicContact CG-CD2 4.45Å; P103-W107 HydrophobicContact CG-CE3 3.8Å; P103-W107 HydrophobicContact CG-CH2 4.39Å; P103-W107 HydrophobicContact CG-CZ3 3.77Å; P103-L108 HydrophobicContact CB-CG 4.44Å |
| 104 | K | 87.4 | Confident | 84.3 | Confident | 173 Ų | 173 | 73 Ų | 73 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 149.3 | 175.8 | -65.7 | -179.4 | -179.3 | 175.3 | 0 | 111 | K106 W107 L108 | K104-K106 PolarHBondContact O-N 3.41Å; K104-W107 WeakPolarHBondContact O-CA 3.39Å; K104-W107 VanDerWaalsContact O-CB 3.32Å; K104-W107 WeakPolarHBondContact O-CB 3.45Å; K104-W107 PolarHBondContact O-N 3.35Å; K104-L108 PolarHBondContact O-N 3.46Å; K104-L108 VanDerWaalsContact O-N 3.08Å |
| 105 | F | 84.2 | Confident | 84.3 | Confident | 105 Ų | 105 | 74.4 Ų | 74.4 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.6 | -39.1 | 178.3 | -177.3 | -96.8 | 0 | 0 | 0 | 113.3 | W107 L108 L109 L138 F142 | F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.34Å; F105-L108 WeakPolarHBondContact O-CB 3.35Å; F105-L108 PolarHBondContact O-N 2.85Å; F105-L108 VanDerWaalsContact O-N 3.16Å; F105-L109 PolarHBondContact O-N 3.4Å; F105-L138 HydrophobicContact CD2-CD1 3.97Å; F105-L138 HydrophobicContact CE2-CD1 3.88Å; F105-F142 HydrophobicContact CE2-CE2 4.1Å; F105-F142 AromaticContact CE2-CZ 4Å; F105-F142 HydrophobicContact CE2-CZ 4Å; F105-F142 HydrophobicContact CZ-CZ 4.35Å |
| 106 | K | 88 | Confident | 84.2 | Confident | 175 Ų | 175 | 72.5 Ų | 72.5 | 76% | 0.761 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.1 | -40.7 | 175.2 | -172.5 | -178.4 | 178.7 | -176 | 0 | 112 | K104 L109 Q110 | K104-K106 PolarHBondContact O-N 3.41Å; K106-L109 PolarHBondContact O-N 3.15Å; K106-Q110 WeakPolarHBondContact O-CB 3.45Å; K106-Q110 PolarHBondContact O-N 3.29Å |
| 107 | W | 92.2 | Very high | 84.6 | Confident | 30 Ų | 30 | 81.2 Ų | 81.2 | 11% | 0.114 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.8 | -178.1 | 90.9 | 0 | 0 | 0 | 111.4 | H69 L72 L73 I76 P103 K104 F105 L109 Q110 A111 | H69-W107 HydrophobicContact CB-CG 4.3Å; H69-W107 PolarHBondContact O-NE1 3.25Å; L72-W107 HydrophobicContact CD2-CH2 4.45Å; L72-W107 HydrophobicContact CD2-CZ2 4.21Å; L72-W107 HydrophobicContact CG-CZ2 4.37Å; L73-W107 HydrophobicContact CB-CZ2 3.86Å; L73-W107 HydrophobicContact CD1-CZ2 4.26Å; I76-W107 HydrophobicContact CD1-CH2 4.34Å; P103-W107 HydrophobicContact CB-CB 4.38Å; P103-W107 HydrophobicContact CB-CD2 3.78Å; P103-W107 HydrophobicContact CB-CE3 3.25Å; P103-W107 HydrophobicContact CB-CG 4.27Å; P103-W107 HydrophobicContact CB-CZ3 3.77Å; P103-W107 HydrophobicContact CG-CD2 4.45Å; P103-W107 HydrophobicContact CG-CE3 3.8Å; P103-W107 HydrophobicContact CG-CH2 4.39Å; P103-W107 HydrophobicContact CG-CZ3 3.77Å; K104-W107 WeakPolarHBondContact O-CA 3.39Å; K104-W107 VanDerWaalsContact O-CB 3.32Å; K104-W107 WeakPolarHBondContact O-CB 3.45Å; K104-W107 PolarHBondContact O-N 3.35Å; F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.34Å; W107-L109 VanDerWaalsContact C-N 3.31Å; W107-L109 PolarHBondContact O-N 3.01Å; W107-Q110 CarbonylContact O-C 3.54Å; W107-Q110 WeakPolarHBondContact O-CB 3.29Å; W107-Q110 PolarHBondContact O-N 3.17Å; W107-Q110 VanDerWaalsContact O-N 3.16Å; W107-A111 HydrophobicContact CE3-CB 4.28Å; W107-A111 HydrophobicContact CH2-CB 4.3Å; W107-A111 HydrophobicContact CZ3-CB 4.15Å; W107-A111 WeakPolarHBondContact O-CB 3.35Å; W107-A111 PolarHBondContact O-N 2.91Å |
| 108 | L | 87.9 | Confident | 85 | Confident | 40 Ų | 40 | 85.1 Ų | 85.1 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.7 | -68.8 | 164.6 | 0 | 0 | 0 | 111.9 | P103 K104 F105 Y112 L138 F142 | P103-L108 HydrophobicContact CB-CG 4.44Å; K104-L108 PolarHBondContact O-N 3.46Å; K104-L108 VanDerWaalsContact O-N 3.08Å; F105-L108 WeakPolarHBondContact O-CB 3.35Å; F105-L108 PolarHBondContact O-N 2.85Å; F105-L108 VanDerWaalsContact O-N 3.16Å; L108-Y112 WeakPolarHBondContact O-CB 3.36Å; L108-Y112 PolarHBondContact O-N 3.45Å; L108-L138 HydrophobicContact CD1-CD2 3.93Å; L108-F142 HydrophobicContact CB-CZ 4.06Å |
| 109 | L | 86.8 | Confident | 85.8 | Confident | 33 Ų | 33 | 82.6 Ų | 82.6 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.3 | -176.2 | 63 | 0 | 0 | 0 | 112.3 | F105 K106 W107 R113 F142 | F105-L109 PolarHBondContact O-N 3.4Å; K106-L109 PolarHBondContact O-N 3.15Å; W107-L109 VanDerWaalsContact C-N 3.31Å; W107-L109 PolarHBondContact O-N 3.01Å; L109-R113 WeakPolarHBondContact O-CG 3.32Å; L109-R113 PolarHBondContact O-N 3.06Å; L109-R113 VanDerWaalsContact O-N 3.13Å; L109-F142 HydrophobicContact CB-CE1 4.33Å; L109-F142 HydrophobicContact CD1-CE1 3.83Å |
| 110 | Q | 91.7 | Very high | 86.8 | Confident | 74 Ų | 74 | 77.9 Ų | 77.9 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -51.5 | 173.4 | -179.4 | -174 | -8.7 | 0 | 0 | 110.8 | L73 K106 W107 Y112 R113 T114 | L73-Q110 HydrophobicContact CD2-CG 4Å; K106-Q110 WeakPolarHBondContact O-CB 3.45Å; K106-Q110 PolarHBondContact O-N 3.29Å; W107-Q110 CarbonylContact O-C 3.54Å; W107-Q110 WeakPolarHBondContact O-CB 3.29Å; W107-Q110 PolarHBondContact O-N 3.17Å; W107-Q110 VanDerWaalsContact O-N 3.16Å; Q110-Y112 VanDerWaalsContact C-N 3.29Å; Q110-Y112 PolarHBondContact O-N 3.47Å; Q110-R113 WeakPolarHBondContact O-CA 3.41Å; Q110-R113 WeakPolarHBondContact O-CB 3.42Å; Q110-R113 PolarHBondContact O-N 3.28Å; Q110-T114 PolarHBondContact O-N 3.08Å; Q110-T114 PolarHBondContact O-OG1 3.13Å; Q110-T114 VanDerWaalsContact O-OG1 3.09Å |
| 111 | A | 91.5 | Very high | 87.7 | Confident | 7 Ų | 7 | 77 Ų | 77 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.8 | -46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L73 W107 R113 T114 F115 | L73-A111 HydrophobicContact CD1-CB 3.61Å; L73-A111 HydrophobicContact CD2-CB 4.36Å; W107-A111 HydrophobicContact CE3-CB 4.28Å; W107-A111 HydrophobicContact CH2-CB 4.3Å; W107-A111 HydrophobicContact CZ3-CB 4.15Å; W107-A111 WeakPolarHBondContact O-CB 3.35Å; W107-A111 PolarHBondContact O-N 2.91Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 2.82Å; A111-T114 WeakPolarHBondContact O-CB 3.39Å; A111-T114 PolarHBondContact O-N 2.88Å; A111-F115 HydrophobicContact CB-CE2 4.17Å; A111-F115 WeakPolarHBondContact O-CD2 3.34Å; A111-F115 WeakPolarHBondContact O-CG 3.29Å; A111-F115 PolarHBondContact O-N 3.19Å |
| 112 | Y | 86.6 | Confident | 88.5 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.3 | -45.8 | 174.7 | 178.3 | -103 | 0 | 0 | 0 | 112.5 | L108 Q110 F115 R120 F145 I146 | L108-Y112 WeakPolarHBondContact O-CB 3.36Å; L108-Y112 PolarHBondContact O-N 3.45Å; Q110-Y112 VanDerWaalsContact C-N 3.29Å; Q110-Y112 PolarHBondContact O-N 3.47Å; Y112-F115 PolarHBondContact O-N 3.4Å; Y112-R120 VanDerWaalsContact CE1-NH2 3.31Å; Y112-R120 VanDerWaalsContact CE2-NH2 3.31Å; Y112-R120 PolarHBondContact O-NH2 3.19Å; Y112-R120 PolarHBondContact OH-NH1 3.15Å; Y112-R120 PolarHBondContact OH-NH2 3.07Å; Y112-F145 HydrophobicContact CD1-CB 4.5Å; Y112-F145 HydrophobicContact CE1-CB 3.99Å; Y112-F145 VanDerWaalsContact CE1-O 3.32Å; Y112-F145 WeakPolarHBondContact CE1-O 3.3Å; Y112-F145 PolarHBondContact OH-O 3.29Å; Y112-I146 HydrophobicContact CD2-CG1 4.34Å; Y112-I146 HydrophobicContact CE1-CG1 4.41Å; Y112-I146 HydrophobicContact CE2-CD1 4.2Å; Y112-I146 HydrophobicContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact OH-CA 3.23Å; Y112-I146 WeakPolarHBondContact OH-CA 3.3Å; Y112-I146 WeakPolarHBondContact OH-CG1 3.45Å |
| 113 | R | 88.8 | Confident | 89.1 | Confident | 165 Ų | 165 | 73.7 Ų | 73.7 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.6 | -38.4 | 179.1 | -71.5 | 174.2 | 179.9 | 175.6 | 0 | 112.4 | L109 Q110 A111 F115 | L109-R113 WeakPolarHBondContact O-CG 3.32Å; L109-R113 PolarHBondContact O-N 3.06Å; L109-R113 VanDerWaalsContact O-N 3.13Å; Q110-R113 WeakPolarHBondContact O-CA 3.41Å; Q110-R113 WeakPolarHBondContact O-CB 3.42Å; Q110-R113 PolarHBondContact O-N 3.28Å; A111-R113 VanDerWaalsContact C-N 3.31Å; A111-R113 PolarHBondContact O-N 2.82Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 PolarHBondContact O-N 3.21Å |
| 114 | T | 91.3 | Very high | 89.6 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 174.7 | -58.8 | 0 | 0 | 0 | 0 | 111 | T77 Q110 A111 G116 | T77-T114 HydrophobicContact CG2-CG2 4.13Å; Q110-T114 PolarHBondContact O-N 3.08Å; Q110-T114 PolarHBondContact O-OG1 3.13Å; Q110-T114 VanDerWaalsContact O-OG1 3.09Å; A111-T114 WeakPolarHBondContact O-CB 3.39Å; A111-T114 PolarHBondContact O-N 2.88Å; T114-G116 PolarHBondContact O-N 3.1Å |
| 115 | F | 90.2 | Very high | 89.9 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 18% | 0.18 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -77.3 | 69.8 | 175.3 | -56.3 | -46.3 | 0 | 0 | 0 | 111.3 | L73 I76 L80 A111 Y112 R113 F119 R120 | L73-F115 HydrophobicContact CD1-CE2 4.19Å; L73-F115 HydrophobicContact CD1-CZ 3.83Å; I76-F115 HydrophobicContact CB-CZ 4.29Å; I76-F115 HydrophobicContact CG2-CE1 4.22Å; I76-F115 HydrophobicContact CG2-CE2 4.43Å; I76-F115 HydrophobicContact CG2-CZ 3.57Å; L80-F115 HydrophobicContact CD1-CE1 4.09Å; L80-F115 HydrophobicContact CD1-CZ 4.34Å; A111-F115 HydrophobicContact CB-CE2 4.17Å; A111-F115 WeakPolarHBondContact O-CD2 3.34Å; A111-F115 WeakPolarHBondContact O-CG 3.29Å; A111-F115 PolarHBondContact O-N 3.19Å; Y112-F115 PolarHBondContact O-N 3.4Å; R113-F115 VanDerWaalsContact C-N 3.32Å; R113-F115 PolarHBondContact O-N 3.21Å; F115-F119 HydrophobicContact CB-CB 4.12Å; F115-F119 HydrophobicContact CB-CD2 4.37Å; F115-F119 HydrophobicContact CB-CG 4.22Å; F115-F119 AromaticContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD2 4.22Å; F115-F119 HydrophobicContact CD1-CE1 4.08Å; F115-F119 HydrophobicContact CD1-CE2 4.41Å; F115-F119 AromaticContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CZ 4.35Å; F115-F119 HydrophobicContact CE1-CE1 4.45Å; F115-R120 PolarHBondContact O-NE 2.9Å; F115-R120 PolarHBondContact O-NH2 3.43Å |
| 116 | G | 86.6 | Confident | 90.4 | Very high | 24 Ų | 24 | 66.8 Ų | 66.8 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | trans | -69.5 | -158.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T114 N118 F119 R120 | T114-G116 PolarHBondContact O-N 3.1Å; G116-N118 VanDerWaalsContact C-N 3.25Å; G116-N118 PolarHBondContact O-N 2.92Å; G116-F119 PolarHBondContact O-N 3.46Å; G116-R120 WeakPolarHBondContact O-CG 3.35Å; G116-R120 PolarHBondContact O-N 3.22Å | ||
| 117 | R | 86.4 | Confident | 90.7 | Very high | 207 Ų | 207 | 58.7 Ų | 58.7 | 78% | 0.781 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -56.1 | -37.6 | -175.5 | -173.1 | -179.5 | -179.2 | -155.8 | 1.5 | 113.3 | R120 K121 | R117-R120 PolarHBondContact O-N 2.85Å; R117-K121 WeakPolarHBondContact O-CB 3.37Å; R117-K121 PolarHBondContact O-N 3.16Å |
| 118 | N | 87.2 | Confident | 90.9 | Very high | 120 Ų | 120 | 57.5 Ų | 57.5 | 64% | 0.642 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | -174.8 | -64 | -10 | 0 | 0 | 0 | 111.6 | G116 | G116-N118 VanDerWaalsContact C-N 3.25Å; G116-N118 PolarHBondContact O-N 2.92Å |
| 119 | F | 91.5 | Very high | 91.2 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 175.3 | -62.4 | -91.7 | 0 | 0 | 0 | 111.6 | T77 L80 E81 V84 Y88 F115 G116 K121 | T77-F119 HydrophobicContact CG2-CE1 4.39Å; T77-F119 HydrophobicContact CG2-CZ 3.77Å; L80-F119 HydrophobicContact CB-CD1 3.87Å; L80-F119 HydrophobicContact CB-CE1 3.82Å; E81-F119 HydrophobicContact CG-CE1 3.99Å; E81-F119 HydrophobicContact CG-CZ 3.7Å; V84-F119 HydrophobicContact CG1-CB 4.26Å; V84-F119 HydrophobicContact CG1-CD1 3.32Å; V84-F119 HydrophobicContact CG1-CE1 3.66Å; V84-F119 HydrophobicContact CG1-CG 3.82Å; V84-F119 HydrophobicContact CG1-CZ 4.4Å; Y88-F119 PolarHBondContact OH-O 3.37Å; F115-F119 HydrophobicContact CB-CB 4.12Å; F115-F119 HydrophobicContact CB-CD2 4.37Å; F115-F119 HydrophobicContact CB-CG 4.22Å; F115-F119 AromaticContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD1 3.87Å; F115-F119 HydrophobicContact CD1-CD2 4.22Å; F115-F119 HydrophobicContact CD1-CE1 4.08Å; F115-F119 HydrophobicContact CD1-CE2 4.41Å; F115-F119 AromaticContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CG 3.95Å; F115-F119 HydrophobicContact CD1-CZ 4.35Å; F115-F119 HydrophobicContact CE1-CE1 4.45Å; G116-F119 PolarHBondContact O-N 3.46Å; F119-K121 PolarHBondContact O-N 3.26Å |
| 120 | R | 91.1 | Very high | 91.4 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.7 | -19 | -172.1 | -61.1 | 175 | -162.1 | 167 | 4.7 | 114.4 | Y112 F115 G116 R117 M150 K153 | Y112-R120 VanDerWaalsContact CE1-NH2 3.31Å; Y112-R120 VanDerWaalsContact CE2-NH2 3.31Å; Y112-R120 PolarHBondContact O-NH2 3.19Å; Y112-R120 PolarHBondContact OH-NH1 3.15Å; Y112-R120 PolarHBondContact OH-NH2 3.07Å; F115-R120 PolarHBondContact O-NE 2.9Å; F115-R120 PolarHBondContact O-NH2 3.43Å; G116-R120 WeakPolarHBondContact O-CG 3.35Å; G116-R120 PolarHBondContact O-N 3.22Å; R117-R120 PolarHBondContact O-N 2.85Å; R120-M150 HydrophobicContact CB-SD 4.06Å; R120-M150 HydrophobicContact CG-CG 4.46Å; R120-M150 HydrophobicContact CG-SD 3.94Å; R120-K153 PolarHBondContact O-NZ 3.35Å |
| 121 | K | 90.4 | Very high | 91.2 | Very high | 144 Ų | 144 | 51.5 Ų | 51.5 | 63% | 0.626 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63 | -54.4 | -174.6 | -174.4 | -173.7 | 173.4 | -170.9 | 0 | 110.9 | R117 F119 K153 | R117-K121 WeakPolarHBondContact O-CB 3.37Å; R117-K121 PolarHBondContact O-N 3.16Å; F119-K121 PolarHBondContact O-N 3.26Å; K121-K153 PolarHBondContact O-NZ 2.84Å |
| 122 | N | 92.6 | Very high | 90.7 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -98.8 | -6.2 | -172.2 | -62.1 | -25.7 | 0 | 0 | 0 | 114.4 | V84 S85 I86 D87 Y88 K124 | V84-N122 PolarHBondContact O-ND2 2.95Å; S85-N122 VanDerWaalsContact C-ND2 3.3Å; S85-N122 PolarHBondContact O-ND2 2.98Å; I86-N122 WeakPolarHBondContact O-CB 3.5Å; D87-N122 WeakPolarHBondContact CA-O 3.16Å; Y88-N122 HydrophobicContact CD1-CB 4.46Å; Y88-N122 PolarHBondContact N-O 2.87Å; Y88-N122 VanDerWaalsContact N-O 3.13Å; N122-K124 PolarHBondContact O-N 2.68Å |
| 123 | L | 94.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 119.8 | 163.1 | 178.3 | 58.2 | 0 | 0 | 0 | 109 | Y88 L90 T125 M150 K153 | Y88-L123 HydrophobicContact CD2-CD1 3.88Å; Y88-L123 HydrophobicContact CE1-CB 4Å; Y88-L123 HydrophobicContact CE2-CB 4.05Å; Y88-L123 HydrophobicContact CE2-CD1 3.57Å; Y88-L123 HydrophobicContact CE2-CG 4.31Å; Y88-L123 CarbonylContact O-C 3.51Å; Y88-L123 WeakPolarHBondContact O-CA 3.44Å; L90-L123 HydrophobicContact CB-CD1 3.94Å; L123-T125 VanDerWaalsContact CD1-O 3.31Å; L123-T125 WeakPolarHBondContact CD1-O 3.38Å; L123-M150 HydrophobicContact CD2-CE 3.51Å; L123-M150 HydrophobicContact CD2-SD 4.08Å; L123-K153 WeakPolarHBondContact O-CD 3.49Å; L123-K153 WeakPolarHBondContact O-CE 3.23Å; L123-K153 PolarHBondContact O-NZ 3.13Å |
| 124 | K | 94.5 | Very high | 89.1 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 32% | 0.317 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -43 | 178.1 | -62.2 | -56.8 | 176.6 | 172.1 | 0 | 112.5 | D87 Y88 N122 K153 | D87-K124 HydrophobicContact CB-CG 4.27Å; D87-K124 WeakPolarHBondContact OD1-CE 3.36Å; D87-K124 IonicContact OD1-NZ 3.21Å; D87-K124 PolarHBondContact OD1-NZ 3.46Å; D87-K124 WeakPolarHBondContact OD2-CE 3.39Å; D87-K124 IonicContact OD2-NZ 3.96Å; D87-K124 PolarHBondContact OD2-NZ 3.46Å; Y88-K124 PolarHBondContact O-N 3.26Å; N122-K124 PolarHBondContact O-N 2.68Å; K124-K153 WeakPolarHBondContact O-CG 3.4Å |
| 125 | T | 93.8 | Very high | 88.7 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 131.8 | -178.1 | -55 | 0 | 0 | 0 | 0 | 109.6 | V89 L90 L123 C127 K153 V155 | V89-T125 WeakPolarHBondContact CA-O 3.48Å; L90-T125 PolarHBondContact N-O 2.87Å; L123-T125 VanDerWaalsContact CD1-O 3.31Å; L123-T125 WeakPolarHBondContact CD1-O 3.38Å; T125-C127 HydrophobicContact CG2-CB 4.3Å; T125-K153 CarbonylContact C-O 3.53Å; T125-K153 WeakPolarHBondContact CA-O 3.48Å; T125-V155 HydrophobicContact CG2-CB 4.07Å; T125-V155 HydrophobicContact CG2-CG2 3.79Å |
| 126 | L | 94.8 | Very high | 88.3 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 99.7 | 161.8 | 173.1 | 57.1 | 0 | 0 | 0 | 107.2 | L90 I128 K153 V154 V155 | L90-L126 HydrophobicContact CB-CD1 3.93Å; L90-L126 HydrophobicContact CD2-CD1 3.81Å; L90-L126 HydrophobicContact CG-CD1 3.75Å; L90-L126 CarbonylContact O-C 3.47Å; L90-L126 WeakPolarHBondContact O-CA 3.42Å; L126-I128 HydrophobicContact CG-CG1 4.45Å; L126-K153 PolarHBondContact N-O 3.09Å; L126-V154 HydrophobicContact CD2-CG2 4.28Å; L126-V154 WeakPolarHBondContact O-CA 3.39Å; L126-V155 PolarHBondContact O-N 3.23Å |
| 127 | C | 95.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.8 | -179.4 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | L90 I91 Y92 T125 V155 L163 | L90-C127 PolarHBondContact O-N 3.42Å; I91-C127 CarbonylContact C-O 3.58Å; I91-C127 WeakPolarHBondContact CA-O 3.19Å; Y92-C127 PolarHBondContact N-O 3.27Å; T125-C127 HydrophobicContact CG2-CB 4.3Å; C127-V155 CarbonylContact C-O 3.57Å; C127-V155 WeakPolarHBondContact CA-O 3.49Å; C127-L163 WeakPolarHBondContact SG-CD2 3.11Å |
| 128 | I | 95.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.5 | 175.5 | -58.1 | -179.8 | 0 | 0 | 0 | 107.8 | Y92 H94 L126 P131 I135 V154 V155 Y156 A157 | Y92-I128 HydrophobicContact CD1-CB 4.42Å; Y92-I128 HydrophobicContact CD1-CG1 4.08Å; Y92-I128 HydrophobicContact CD1-CG2 3.89Å; Y92-I128 HydrophobicContact CE1-CG2 4.43Å; H94-I128 HydrophobicContact CB-CG2 4.17Å; L126-I128 HydrophobicContact CG-CG1 4.45Å; I128-P131 HydrophobicContact CG2-CB 4.04Å; I128-I135 HydrophobicContact CD1-CG1 4.13Å; I128-I135 HydrophobicContact CG2-CG1 4.33Å; I128-I135 HydrophobicContact CG2-CG2 4.3Å; I128-V154 HydrophobicContact CD1-CG1 3.9Å; I128-V154 HydrophobicContact CG1-CG1 4.4Å; I128-V155 PolarHBondContact N-O 2.89Å; I128-Y156 HydrophobicContact CB-CD1 3.91Å; I128-Y156 HydrophobicContact CB-CE1 4.17Å; I128-Y156 HydrophobicContact CD1-CD1 4.47Å; I128-Y156 HydrophobicContact CD1-CE1 3.86Å; I128-Y156 HydrophobicContact CG1-CE1 4.47Å; I128-Y156 HydrophobicContact CG2-CD1 4.3Å; I128-Y156 HydrophobicContact CG2-CE1 4.47Å; I128-Y156 WeakPolarHBondContact O-CA 3.44Å; I128-A157 PolarHBondContact O-N 3.11Å |
| 129 | V | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 134.5 | -176.2 | -174 | 0 | 0 | 0 | 0 | 109.7 | I91 Y92 F93 H94 A157 L160 L163 | I91-V129 HydrophobicContact CG2-CG2 3.81Å; Y92-V129 PolarHBondContact O-N 3.26Å; F93-V129 HydrophobicContact CD1-CB 3.69Å; F93-V129 HydrophobicContact CD1-CG1 3.88Å; F93-V129 HydrophobicContact CD1-CG2 3.93Å; F93-V129 HydrophobicContact CE1-CB 4.06Å; F93-V129 HydrophobicContact CE1-CG1 4.03Å; F93-V129 HydrophobicContact CE1-CG2 3.88Å; H94-V129 WeakPolarHBondContact CB-O 3.48Å; H94-V129 PolarHBondContact N-O 2.93Å; H94-V129 VanDerWaalsContact N-O 3.08Å; V129-A157 CarbonylContact C-O 3.48Å; V129-A157 WeakPolarHBondContact CA-O 3.49Å; V129-A157 HydrophobicContact CG2-CB 4.48Å; V129-L160 HydrophobicContact CG1-CD2 3.85Å; V129-L163 HydrophobicContact CG2-CD1 3.77Å; V129-L163 HydrophobicContact CG2-CD2 4.36Å |
| 130 | H | 89.5 | Confident | 85.8 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 56 | 56.6 | -172.4 | -50.7 | -40.7 | 0 | 0 | 0 | 113 | H94 F95 T132 A157 E158 Y181 D182 I185 | H94-H130 PolarHBondContact CD2-O 3.18Å; F95-H130 HydrophobicContact CB-CB 4.47Å; H130-T132 PolarHBondContact O-N 2.87Å; H130-A157 PolarHBondContact N-O 2.97Å; H130-E158 PolarHBondContact CE1-O 2.88Å; H130-E158 PolarHBondContact ND1-O 2.9Å; H130-Y181 HydrophobicContact CB-CD1 4.19Å; H130-Y181 HydrophobicContact CB-CE1 3.76Å; H130-Y181 AromaticContact CD2-CD1 3.66Å; H130-Y181 AromaticContact CG-CD1 3.73Å; H130-Y181 AromaticContact CG-CE1 3.69Å; H130-D182 IonicContact CE1-OD1 3.89Å; H130-D182 PolarHBondContact CE1-OD1 3.21Å; H130-D182 IonicContact NE2-OD1 2.78Å; H130-I185 WeakPolarHBondContact ND1-CD1 3.08Å |
| 131 | P | 88.5 | Confident | 84.9 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | trans | -69 | 130.4 | -177 | 32.1 | -37.7 | 0 | 0 | 0 | 111.9 | I128 I135 K136 Y156 A157 | I128-P131 HydrophobicContact CG2-CB 4.04Å; P131-I135 HydrophobicContact CB-CG2 3.81Å; P131-K136 HydrophobicContact CB-CG 4.22Å; P131-K136 VanDerWaalsContact CG-CE 3.41Å; P131-Y156 HydrophobicContact CB-CD1 3.69Å; P131-Y156 HydrophobicContact CB-CE1 4.3Å; P131-Y156 HydrophobicContact CB-CG 4.49Å; P131-Y156 HydrophobicContact CG-CD1 4.02Å; P131-Y156 HydrophobicContact CG-CG 4.38Å; P131-A157 WeakPolarHBondContact CD-O 3.41Å | ||
| 132 | T | 80.7 | Confident | 84 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | trans | -79.8 | 161.5 | 166.3 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | H94 H130 G134 I135 K136 | H94-T132 WeakPolarHBondContact NE2-CG2 3.5Å; H94-T132 PolarHBondContact NE2-OG1 2.78Å; H130-T132 PolarHBondContact O-N 2.87Å; T132-G134 PolarHBondContact O-N 3.14Å; T132-I135 WeakPolarHBondContact O-CG2 3.47Å; T132-I135 PolarHBondContact O-N 2.68Å; T132-I135 PolarHBondContact OG1-N 3.46Å; T132-K136 PolarHBondContact O-N 3.04Å; T132-K136 VanDerWaalsContact O-N 3.16Å | ||
| 133 | T | 70.3 | Confident | 83.2 | Confident | 123 Ų | 123 | 47.6 Ų | 47.6 | 76% | 0.755 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -54.7 | -34.9 | 168.8 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | K136 F137 | T133-K136 PolarHBondContact O-N 2.98Å; T133-F137 WeakPolarHBondContact O-CB 3.38Å; T133-F137 PolarHBondContact O-N 2.86Å |
| 134 | G | 72 | Confident | 82.2 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T132 L138 | T132-G134 PolarHBondContact O-N 3.14Å; G134-L138 VanDerWaalsContact O-CB 3.32Å; G134-L138 WeakPolarHBondContact O-CB 3.43Å; G134-L138 PolarHBondContact O-N 3.36Å |
| 135 | I | 83 | Confident | 81.1 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.2 | -37.7 | 177.6 | -170.8 | 60.6 | 0 | 0 | 0 | 111.7 | I128 P131 T132 F137 L138 C139 | I128-I135 HydrophobicContact CD1-CG1 4.13Å; I128-I135 HydrophobicContact CG2-CG1 4.33Å; I128-I135 HydrophobicContact CG2-CG2 4.3Å; P131-I135 HydrophobicContact CB-CG2 3.81Å; T132-I135 WeakPolarHBondContact O-CG2 3.47Å; T132-I135 PolarHBondContact O-N 2.68Å; T132-I135 PolarHBondContact OG1-N 3.46Å; I135-F137 VanDerWaalsContact C-N 3.34Å; I135-F137 PolarHBondContact O-N 3.2Å; I135-L138 HydrophobicContact CD1-CB 4.42Å; I135-L138 HydrophobicContact CD1-CD2 3.91Å; I135-L138 PolarHBondContact O-N 3.17Å; I135-C139 WeakPolarHBondContact O-CB 3.48Å; I135-C139 PolarHBondContact O-N 2.79Å; I135-C139 PolarHBondContact O-SG 3.38Å; I135-C139 VanDerWaalsContact O-SG 3.35Å |
| 136 | K | 80.5 | Confident | 80.1 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 174.7 | -67 | -179.7 | -176.4 | 176.7 | 0 | 111.3 | P131 T132 T133 T140 Y156 E158 | P131-K136 HydrophobicContact CB-CG 4.22Å; P131-K136 VanDerWaalsContact CG-CE 3.41Å; T132-K136 PolarHBondContact O-N 3.04Å; T132-K136 VanDerWaalsContact O-N 3.16Å; T133-K136 PolarHBondContact O-N 2.98Å; K136-T140 PolarHBondContact O-N 2.91Å; K136-T140 VanDerWaalsContact O-N 3.09Å; K136-T140 PolarHBondContact O-OG1 3.16Å; K136-Y156 HydrophobicContact CG-CD1 4.37Å; K136-Y156 HydrophobicContact CG-CE1 4.01Å; K136-Y156 HydrophobicContact CG-CE2 4.48Å; K136-E158 IonicContact NZ-OE1 2.77Å; K136-E158 PolarHBondContact NZ-OE1 2.83Å |
| 137 | F | 74.6 | Confident | 79.4 | Confident | 129 Ų | 129 | 55.4 Ų | 55.4 | 57% | 0.566 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 173.5 | 179.4 | -106 | 0 | 0 | 0 | 111.7 | T133 I135 C139 T140 L141 | T133-F137 WeakPolarHBondContact O-CB 3.38Å; T133-F137 PolarHBondContact O-N 2.86Å; I135-F137 VanDerWaalsContact C-N 3.34Å; I135-F137 PolarHBondContact O-N 3.2Å; F137-C139 PolarHBondContact O-N 3.28Å; F137-T140 WeakPolarHBondContact O-CA 3.43Å; F137-T140 WeakPolarHBondContact O-CB 3.44Å; F137-T140 PolarHBondContact O-N 3.26Å; F137-T140 VanDerWaalsContact O-N 3.08Å; F137-L141 HydrophobicContact CD1-CD1 3.86Å; F137-L141 HydrophobicContact CD1-CG 4.24Å; F137-L141 HydrophobicContact CE1-CD1 3.36Å; F137-L141 HydrophobicContact CE1-CD2 4.3Å; F137-L141 HydrophobicContact CE1-CG 3.85Å; F137-L141 HydrophobicContact CE2-CD2 4.48Å; F137-L141 HydrophobicContact CE2-CG 4.46Å; F137-L141 HydrophobicContact CZ-CD1 3.9Å; F137-L141 HydrophobicContact CZ-CD2 3.96Å; F137-L141 HydrophobicContact CZ-CG 3.96Å; F137-L141 PolarHBondContact O-N 3.03Å |
| 138 | L | 76.1 | Confident | 78.7 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 177.3 | -174.4 | 68.8 | 0 | 0 | 0 | 111.8 | F105 L108 G134 I135 T140 L141 F142 | F105-L138 HydrophobicContact CD2-CD1 3.97Å; F105-L138 HydrophobicContact CE2-CD1 3.88Å; L108-L138 HydrophobicContact CD1-CD2 3.93Å; G134-L138 VanDerWaalsContact O-CB 3.32Å; G134-L138 WeakPolarHBondContact O-CB 3.43Å; G134-L138 PolarHBondContact O-N 3.36Å; I135-L138 HydrophobicContact CD1-CB 4.42Å; I135-L138 HydrophobicContact CD1-CD2 3.91Å; I135-L138 PolarHBondContact O-N 3.17Å; L138-T140 PolarHBondContact O-N 2.84Å; L138-L141 WeakPolarHBondContact O-CB 3.27Å; L138-L141 PolarHBondContact O-N 2.84Å; L138-L141 VanDerWaalsContact O-N 3.1Å; L138-F142 HydrophobicContact CD1-CD2 4.17Å; L138-F142 HydrophobicContact CD1-CE2 3.65Å; L138-F142 HydrophobicContact CD2-CE2 4.31Å; L138-F142 HydrophobicContact CG-CD2 3.99Å; L138-F142 HydrophobicContact CG-CE2 3.74Å; L138-F142 VanDerWaalsContact O-CD2 3.23Å; L138-F142 WeakPolarHBondContact O-CD2 3.32Å; L138-F142 PolarHBondContact O-N 2.83Å |
| 139 | C | 77.5 | Confident | 78.2 | Confident | 30 Ų | 30 | 67.1 Ų | 67.1 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59 | -34.3 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | I135 F137 F142 R143 Y156 | I135-C139 WeakPolarHBondContact O-CB 3.48Å; I135-C139 PolarHBondContact O-N 2.79Å; I135-C139 PolarHBondContact O-SG 3.38Å; I135-C139 VanDerWaalsContact O-SG 3.35Å; F137-C139 PolarHBondContact O-N 3.28Å; C139-F142 PolarHBondContact O-N 3.08Å; C139-R143 PolarHBondContact O-N 3.11Å; C139-Y156 WeakPolarHBondContact CB-OH 3.47Å |
| 140 | T | 72.6 | Confident | 77.7 | Confident | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | K136 F137 L138 F142 R143 | K136-T140 PolarHBondContact O-N 2.91Å; K136-T140 VanDerWaalsContact O-N 3.09Å; K136-T140 PolarHBondContact O-OG1 3.16Å; F137-T140 WeakPolarHBondContact O-CA 3.43Å; F137-T140 WeakPolarHBondContact O-CB 3.44Å; F137-T140 PolarHBondContact O-N 3.26Å; F137-T140 VanDerWaalsContact O-N 3.08Å; L138-T140 PolarHBondContact O-N 2.84Å; T140-F142 PolarHBondContact O-N 2.78Å; T140-R143 VanDerWaalsContact O-CB 3.26Å; T140-R143 WeakPolarHBondContact O-CB 3.28Å; T140-R143 PolarHBondContact O-N 3.05Å |
| 141 | L | 71.2 | Confident | 77.3 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 174.3 | -73.4 | 177.9 | 0 | 0 | 0 | 113 | F137 L138 R143 P144 | F137-L141 HydrophobicContact CD1-CD1 3.86Å; F137-L141 HydrophobicContact CD1-CG 4.24Å; F137-L141 HydrophobicContact CE1-CD1 3.36Å; F137-L141 HydrophobicContact CE1-CD2 4.3Å; F137-L141 HydrophobicContact CE1-CG 3.85Å; F137-L141 HydrophobicContact CE2-CD2 4.48Å; F137-L141 HydrophobicContact CE2-CG 4.46Å; F137-L141 HydrophobicContact CZ-CD1 3.9Å; F137-L141 HydrophobicContact CZ-CD2 3.96Å; F137-L141 HydrophobicContact CZ-CG 3.96Å; F137-L141 PolarHBondContact O-N 3.03Å; L138-L141 WeakPolarHBondContact O-CB 3.27Å; L138-L141 PolarHBondContact O-N 2.84Å; L138-L141 VanDerWaalsContact O-N 3.1Å; L141-R143 VanDerWaalsContact C-N 3.33Å; L141-P144 VanDerWaalsContact O-CD 3.3Å; L141-P144 WeakPolarHBondContact O-CD 3.05Å |
| 142 | F | 72.4 | Confident | 77.3 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11 | 175.6 | -79.5 | -79.7 | 0 | 0 | 0 | 113.9 | F105 L108 L109 L138 C139 T140 P144 F145 I146 | F105-F142 HydrophobicContact CE2-CE2 4.1Å; F105-F142 AromaticContact CE2-CZ 4Å; F105-F142 HydrophobicContact CE2-CZ 4Å; F105-F142 HydrophobicContact CZ-CZ 4.35Å; L108-F142 HydrophobicContact CB-CZ 4.06Å; L109-F142 HydrophobicContact CB-CE1 4.33Å; L109-F142 HydrophobicContact CD1-CE1 3.83Å; L138-F142 HydrophobicContact CD1-CD2 4.17Å; L138-F142 HydrophobicContact CD1-CE2 3.65Å; L138-F142 HydrophobicContact CD2-CE2 4.31Å; L138-F142 HydrophobicContact CG-CD2 3.99Å; L138-F142 HydrophobicContact CG-CE2 3.74Å; L138-F142 VanDerWaalsContact O-CD2 3.23Å; L138-F142 WeakPolarHBondContact O-CD2 3.32Å; L138-F142 PolarHBondContact O-N 2.83Å; C139-F142 PolarHBondContact O-N 3.08Å; T140-F142 PolarHBondContact O-N 2.78Å; F142-P144 VanDerWaalsContact C-CD 3.42Å; F142-P144 VanDerWaalsContact C-N 3.35Å; F142-F145 HydrophobicContact CD1-CD2 4.48Å; F142-F145 WeakPolarHBondContact O-CA 3.47Å; F142-F145 PolarHBondContact O-N 2.82Å; F142-I146 HydrophobicContact CB-CD1 3.4Å; F142-I146 HydrophobicContact CB-CG1 4.02Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 VanDerWaalsContact O-CG1 3.25Å; F142-I146 WeakPolarHBondContact O-CG1 3.21Å; F142-I146 PolarHBondContact O-N 3.24Å |
| 143 | R | 74.7 | Confident | 77.9 | Confident | 154 Ų | 154 | 73.7 Ų | 73.7 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -49.2 | -43.5 | -179.2 | -82.9 | -178 | 172 | 164.2 | -0.9 | 114.5 | C139 T140 L141 F145 I146 | C139-R143 PolarHBondContact O-N 3.11Å; T140-R143 VanDerWaalsContact O-CB 3.26Å; T140-R143 WeakPolarHBondContact O-CB 3.28Å; T140-R143 PolarHBondContact O-N 3.05Å; L141-R143 VanDerWaalsContact C-N 3.33Å; R143-F145 PolarHBondContact O-N 3.29Å; R143-I146 PolarHBondContact O-N 3.2Å; R143-I146 VanDerWaalsContact O-N 3.15Å |
| 144 | P | 73 | Confident | 78.8 | Confident | 111 Ų | 111 | 69.4 Ų | 69.4 | 72% | 0.721 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.6 | 178.8 | -22.3 | 34.7 | 0 | 0 | 0 | 113.8 | L141 F142 | L141-P144 VanDerWaalsContact O-CD 3.3Å; L141-P144 WeakPolarHBondContact O-CD 3.05Å; F142-P144 VanDerWaalsContact C-CD 3.42Å; F142-P144 VanDerWaalsContact C-N 3.35Å |
| 145 | F | 71.8 | Confident | 79.8 | Confident | 113 Ų | 113 | 70.8 Ų | 70.8 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -92.1 | -15.6 | 179 | -54.2 | -75.3 | 0 | 0 | 0 | 112.2 | Y112 F142 R143 | Y112-F145 HydrophobicContact CD1-CB 4.5Å; Y112-F145 HydrophobicContact CE1-CB 3.99Å; Y112-F145 VanDerWaalsContact CE1-O 3.32Å; Y112-F145 WeakPolarHBondContact CE1-O 3.3Å; Y112-F145 PolarHBondContact OH-O 3.29Å; F142-F145 HydrophobicContact CD1-CD2 4.48Å; F142-F145 WeakPolarHBondContact O-CA 3.47Å; F142-F145 PolarHBondContact O-N 2.82Å; R143-F145 PolarHBondContact O-N 3.29Å |
| 146 | I | 73.4 | Confident | 80.3 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 16% | 0.164 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -101.3 | 127.7 | -175.5 | -61.7 | 171.4 | 0 | 0 | 0 | 111.4 | Y112 F142 R143 M150 | Y112-I146 HydrophobicContact CD2-CG1 4.34Å; Y112-I146 HydrophobicContact CE1-CG1 4.41Å; Y112-I146 HydrophobicContact CE2-CD1 4.2Å; Y112-I146 HydrophobicContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact CE2-CG1 3.49Å; Y112-I146 VanDerWaalsContact OH-CA 3.23Å; Y112-I146 WeakPolarHBondContact OH-CA 3.3Å; Y112-I146 WeakPolarHBondContact OH-CG1 3.45Å; F142-I146 HydrophobicContact CB-CD1 3.4Å; F142-I146 HydrophobicContact CB-CG1 4.02Å; F142-I146 HydrophobicContact CG-CD1 4.45Å; F142-I146 VanDerWaalsContact O-CG1 3.25Å; F142-I146 WeakPolarHBondContact O-CG1 3.21Å; F142-I146 PolarHBondContact O-N 3.24Å; R143-I146 PolarHBondContact O-N 3.2Å; R143-I146 VanDerWaalsContact O-N 3.15Å; I146-M150 HydrophobicContact CG2-CB 3.64Å; I146-M150 HydrophobicContact CG2-CG 3.71Å |
| 147 | S | 79.9 | Confident | 80.9 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | trans | -62 | 145.1 | 172.3 | 67.7 | 0 | 0 | 0 | 0 | 111.1 | K149 M150 S151 | S147-K149 PolarHBondContact O-N 3.2Å; S147-K149 VanDerWaalsContact O-N 3.14Å; S147-M150 WeakPolarHBondContact O-CA 3.26Å; S147-M150 PolarHBondContact O-N 3.3Å; S147-M150 PolarHBondContact OG-N 3.46Å; S147-S151 PolarHBondContact O-N 3.06Å | ||
| 148 | S | 79.6 | Confident | 81.6 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -50.9 | -41.5 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | M150 S151 N152 | S148-M150 VanDerWaalsContact C-N 3.27Å; S148-M150 PolarHBondContact O-N 3.47Å; S148-S151 PolarHBondContact O-N 3.13Å; S148-N152 VanDerWaalsContact O-CG 3.27Å; S148-N152 PolarHBondContact O-N 3.01Å; S148-N152 PolarHBondContact O-OD1 3.39Å |
| 149 | K | 84.8 | Confident | 82.4 | Confident | 165 Ų | 165 | 67.5 Ų | 67.5 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.5 | -34.3 | 175.5 | -65.3 | -175.2 | -177.5 | 179.8 | 0 | 113.7 | S147 K153 | S147-K149 PolarHBondContact O-N 3.2Å; S147-K149 VanDerWaalsContact O-N 3.14Å; K149-K153 WeakPolarHBondContact O-CE 3.39Å; K149-K153 WeakPolarHBondContact O-CG 3.32Å |
| 150 | M | 86 | Confident | 83.1 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -83.2 | -38.1 | 178.5 | 179.5 | 63 | -151.9 | 0 | 0 | 111.2 | R120 L123 I146 S147 S148 N152 K153 | R120-M150 HydrophobicContact CB-SD 4.06Å; R120-M150 HydrophobicContact CG-CG 4.46Å; R120-M150 HydrophobicContact CG-SD 3.94Å; L123-M150 HydrophobicContact CD2-CE 3.51Å; L123-M150 HydrophobicContact CD2-SD 4.08Å; I146-M150 HydrophobicContact CG2-CB 3.64Å; I146-M150 HydrophobicContact CG2-CG 3.71Å; S147-M150 WeakPolarHBondContact O-CA 3.26Å; S147-M150 PolarHBondContact O-N 3.3Å; S147-M150 PolarHBondContact OG-N 3.46Å; S148-M150 VanDerWaalsContact C-N 3.27Å; S148-M150 PolarHBondContact O-N 3.47Å; M150-N152 PolarHBondContact O-N 3.23Å; M150-K153 WeakPolarHBondContact O-CB 3.46Å; M150-K153 PolarHBondContact O-N 3.41Å; M150-K153 HydrophobicContact SD-CD 3.93Å |
| 151 | S | 81.6 | Confident | 84 | Confident | 36 Ų | 36 | 66.2 Ų | 66.2 | 25% | 0.252 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 175.3 | -172.2 | 0 | 0 | 0 | 0 | 112 | S147 S148 K153 V154 | S147-S151 PolarHBondContact O-N 3.06Å; S148-S151 PolarHBondContact O-N 3.13Å; S151-K153 PolarHBondContact O-N 2.91Å; S151-V154 PolarHBondContact O-N 3.46Å |
| 152 | N | 88.4 | Confident | 84.9 | Confident | 134 Ų | 134 | 67.2 Ų | 67.2 | 72% | 0.717 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.9 | 177.8 | -68.7 | -6.6 | 0 | 0 | 0 | 113.9 | S148 M150 | S148-N152 VanDerWaalsContact O-CG 3.27Å; S148-N152 PolarHBondContact O-N 3.01Å; S148-N152 PolarHBondContact O-OD1 3.39Å; M150-N152 PolarHBondContact O-N 3.23Å |
| 153 | K | 91.8 | Very high | 85.7 | Confident | 37 Ų | 37 | 66.8 Ų | 66.8 | 16% | 0.161 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.4 | 177.2 | -60.2 | 174.4 | 177.2 | -163.7 | 0 | 112.2 | R120 K121 L123 K124 T125 L126 K149 M150 S151 V155 | R120-K153 PolarHBondContact O-NZ 3.35Å; K121-K153 PolarHBondContact O-NZ 2.84Å; L123-K153 WeakPolarHBondContact O-CD 3.49Å; L123-K153 WeakPolarHBondContact O-CE 3.23Å; L123-K153 PolarHBondContact O-NZ 3.13Å; K124-K153 WeakPolarHBondContact O-CG 3.4Å; T125-K153 CarbonylContact C-O 3.53Å; T125-K153 WeakPolarHBondContact CA-O 3.48Å; L126-K153 PolarHBondContact N-O 3.09Å; K149-K153 WeakPolarHBondContact O-CE 3.39Å; K149-K153 WeakPolarHBondContact O-CG 3.32Å; M150-K153 WeakPolarHBondContact O-CB 3.46Å; M150-K153 PolarHBondContact O-N 3.41Å; M150-K153 HydrophobicContact SD-CD 3.93Å; S151-K153 PolarHBondContact O-N 2.91Å; K153-V155 PolarHBondContact O-N 3.12Å |
| 154 | V | 90.9 | Very high | 86.3 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.7 | 180 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | L126 I128 S151 Y156 | L126-V154 HydrophobicContact CD2-CG2 4.28Å; L126-V154 WeakPolarHBondContact O-CA 3.39Å; I128-V154 HydrophobicContact CD1-CG1 3.9Å; I128-V154 HydrophobicContact CG1-CG1 4.4Å; S151-V154 PolarHBondContact O-N 3.46Å; V154-Y156 HydrophobicContact CG1-CE1 4.19Å; V154-Y156 HydrophobicContact CG1-CE2 4.45Å |
| 155 | V | 92.5 | Very high | 86.8 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 140 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 108 | T125 L126 C127 I128 K153 | T125-V155 HydrophobicContact CG2-CB 4.07Å; T125-V155 HydrophobicContact CG2-CG2 3.79Å; L126-V155 PolarHBondContact O-N 3.23Å; C127-V155 CarbonylContact C-O 3.57Å; C127-V155 WeakPolarHBondContact CA-O 3.49Å; I128-V155 PolarHBondContact N-O 2.89Å; K153-V155 PolarHBondContact O-N 3.12Å |
| 156 | Y | 92.6 | Very high | 87.3 | Confident | 77 Ų | 77 | 61 Ų | 61 | 30% | 0.302 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.1 | 176.7 | -65.8 | -63.7 | 0 | 0 | 0 | 108.4 | I128 P131 K136 C139 V154 | I128-Y156 HydrophobicContact CB-CD1 3.91Å; I128-Y156 HydrophobicContact CB-CE1 4.17Å; I128-Y156 HydrophobicContact CD1-CD1 4.47Å; I128-Y156 HydrophobicContact CD1-CE1 3.86Å; I128-Y156 HydrophobicContact CG1-CE1 4.47Å; I128-Y156 HydrophobicContact CG2-CD1 4.3Å; I128-Y156 HydrophobicContact CG2-CE1 4.47Å; I128-Y156 WeakPolarHBondContact O-CA 3.44Å; P131-Y156 HydrophobicContact CB-CD1 3.69Å; P131-Y156 HydrophobicContact CB-CE1 4.3Å; P131-Y156 HydrophobicContact CB-CG 4.49Å; P131-Y156 HydrophobicContact CG-CD1 4.02Å; P131-Y156 HydrophobicContact CG-CG 4.38Å; K136-Y156 HydrophobicContact CG-CD1 4.37Å; K136-Y156 HydrophobicContact CG-CE1 4.01Å; K136-Y156 HydrophobicContact CG-CE2 4.48Å; C139-Y156 WeakPolarHBondContact CB-OH 3.47Å; V154-Y156 HydrophobicContact CG1-CE1 4.19Å; V154-Y156 HydrophobicContact CG1-CE2 4.45Å |
| 157 | A | 93.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109 | I128 V129 H130 P131 E162 L163 | I128-A157 PolarHBondContact O-N 3.11Å; V129-A157 CarbonylContact C-O 3.48Å; V129-A157 WeakPolarHBondContact CA-O 3.49Å; V129-A157 HydrophobicContact CG2-CB 4.48Å; H130-A157 PolarHBondContact N-O 2.97Å; P131-A157 WeakPolarHBondContact CD-O 3.41Å; A157-E162 VanDerWaalsContact CA-OE2 3.31Å; A157-E162 WeakPolarHBondContact CA-OE2 3.37Å; A157-E162 HydrophobicContact CB-CB 4.25Å; A157-L163 HydrophobicContact CB-CD2 3.61Å; A157-L163 HydrophobicContact CB-CG 4.28Å |
| 158 | E | 89.6 | Confident | 88.1 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -75.8 | -35.8 | -179.3 | -61.7 | -62.2 | 163.8 | 0 | 0 | 111 | H130 K136 E162 I185 | H130-E158 PolarHBondContact CE1-O 2.88Å; H130-E158 PolarHBondContact ND1-O 2.9Å; K136-E158 IonicContact NZ-OE1 2.77Å; K136-E158 PolarHBondContact NZ-OE1 2.83Å; E158-E162 PolarHBondContact N-OE2 3.15Å; E158-I185 WeakPolarHBondContact O-CD1 3.45Å |
| 159 | T | 92.6 | Very high | 88.4 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -123.9 | 163.4 | 176.9 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | S161 E162 D182 I185 V186 L189 | T159-S161 VanDerWaalsContact C-N 3.28Å; T159-S161 PolarHBondContact O-N 2.82Å; T159-S161 PolarHBondContact OG1-OG 3.36Å; T159-E162 PolarHBondContact O-N 3.46Å; T159-D182 VanDerWaalsContact CA-OD1 3.23Å; T159-D182 WeakPolarHBondContact CA-OD1 3.32Å; T159-D182 WeakPolarHBondContact CB-OD1 3.24Å; T159-I185 HydrophobicContact CG2-CD1 4.07Å; T159-V186 HydrophobicContact CG2-CG2 3.86Å; T159-L189 HydrophobicContact CG2-CD1 4.09Å |
| 160 | L | 92.5 | Very high | 88.2 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -67.1 | -29.2 | 173.5 | -68.5 | 174.9 | 0 | 0 | 0 | 112.6 | F93 V129 E162 L163 V169 I174 L179 D182 | F93-L160 HydrophobicContact CE1-CD2 3.71Å; V129-L160 HydrophobicContact CG1-CD2 3.85Å; L160-E162 VanDerWaalsContact C-N 3.26Å; L160-E162 PolarHBondContact O-N 2.88Å; L160-L163 HydrophobicContact CD2-CD1 4.06Å; L160-L163 VanDerWaalsContact O-CB 3.23Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.47Å; L160-V169 HydrophobicContact CB-CG1 4.44Å; L160-I174 HydrophobicContact CD1-CD1 4.15Å; L160-I174 HydrophobicContact CD1-CG2 4.4Å; L160-I174 HydrophobicContact CD2-CD1 4.07Å; L160-L179 HydrophobicContact CD1-CD2 3.67Å; L160-D182 HydrophobicContact CD1-CB 3.75Å; L160-D182 HydrophobicContact CG-CB 3.99Å; L160-D182 PolarHBondContact N-OD1 3.07Å |
| 161 | S | 90.7 | Very high | 87.8 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 43% | 0.427 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -63.3 | -29.4 | 178.8 | 56 | 0 | 0 | 0 | 0 | 113.4 | T159 L163 E164 | T159-S161 VanDerWaalsContact C-N 3.28Å; T159-S161 PolarHBondContact O-N 2.82Å; T159-S161 PolarHBondContact OG1-OG 3.36Å; S161-L163 PolarHBondContact O-N 3.25Å; S161-E164 WeakPolarHBondContact O-CB 3.35Å; S161-E164 PolarHBondContact O-N 3.37Å |
| 162 | E | 90.2 | Very high | 88 | Confident | 104 Ų | 104 | 55 Ų | 55 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -63.2 | -21.7 | 174.5 | -70.7 | 177 | -155.4 | 0 | 0 | 112.6 | A157 E158 T159 L160 | A157-E162 VanDerWaalsContact CA-OE2 3.31Å; A157-E162 WeakPolarHBondContact CA-OE2 3.37Å; A157-E162 HydrophobicContact CB-CB 4.25Å; E158-E162 PolarHBondContact N-OE2 3.15Å; T159-E162 PolarHBondContact O-N 3.46Å; L160-E162 VanDerWaalsContact C-N 3.26Å; L160-E162 PolarHBondContact O-N 2.88Å |
| 163 | L | 89.3 | Confident | 87.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -80.1 | -26.2 | 179 | -56.3 | -176.9 | 0 | 0 | 0 | 112.8 | C127 V129 A157 L160 S161 G165 T166 L167 V169 | C127-L163 WeakPolarHBondContact SG-CD2 3.11Å; V129-L163 HydrophobicContact CG2-CD1 3.77Å; V129-L163 HydrophobicContact CG2-CD2 4.36Å; A157-L163 HydrophobicContact CB-CD2 3.61Å; A157-L163 HydrophobicContact CB-CG 4.28Å; L160-L163 HydrophobicContact CD2-CD1 4.06Å; L160-L163 VanDerWaalsContact O-CB 3.23Å; L160-L163 WeakPolarHBondContact O-CB 3.47Å; L160-L163 PolarHBondContact O-N 3.47Å; S161-L163 PolarHBondContact O-N 3.25Å; L163-G165 PolarHBondContact O-N 3.21Å; L163-G165 VanDerWaalsContact O-N 3.08Å; L163-T166 PolarHBondContact O-N 3.19Å; L163-T166 PolarHBondContact O-OG1 3.43Å; L163-L167 HydrophobicContact CB-CD1 3.99Å; L163-L167 HydrophobicContact CD1-CD1 4.4Å; L163-L167 HydrophobicContact CD2-CD1 4.23Å; L163-L167 HydrophobicContact CG-CD1 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 3.16Å; L163-V169 HydrophobicContact CB-CG2 3.65Å |
| 164 | E | 87.4 | Confident | 87.6 | Confident | 114 Ų | 114 | 48.4 Ų | 48.4 | 53% | 0.533 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.2 | -174.5 | -66.3 | 176.4 | -174 | 0 | 0 | 113 | K48 S161 T166 V169 | K48-E164 WeakPolarHBondContact CE-O 3.38Å; K48-E164 PolarHBondContact NZ-O 3.21Å; S161-E164 WeakPolarHBondContact O-CB 3.35Å; S161-E164 PolarHBondContact O-N 3.37Å; E164-T166 PolarHBondContact O-N 3.02Å; E164-V169 HydrophobicContact CB-CG2 4.37Å; E164-V169 HydrophobicContact CG-CB 4.31Å; E164-V169 HydrophobicContact CG-CG2 3.72Å |
| 165 | G | 83.6 | Confident | 87.4 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 67% | 0.67 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L163 | L163-G165 PolarHBondContact O-N 3.21Å; L163-G165 VanDerWaalsContact O-N 3.08Å |
| 166 | T | 81.9 | Confident | 87 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -20.6 | -171.9 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | K48 L163 E164 | K48-T166 WeakPolarHBondContact CB-O 3.42Å; K48-T166 WeakPolarHBondContact CG-O 3.43Å; K48-T166 PolarHBondContact N-O 3.3Å; L163-T166 PolarHBondContact O-N 3.19Å; L163-T166 PolarHBondContact O-OG1 3.43Å; E164-T166 PolarHBondContact O-N 3.02Å |
| 167 | L | 86.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -126.4 | 153.7 | -171.6 | -59.4 | 169.7 | 0 | 0 | 0 | 110.4 | D47 K48 I53 I91 L163 V169 L172 | D47-L167 HydrophobicContact CB-CD2 3.59Å; K48-L167 WeakPolarHBondContact CE-O 3.38Å; I53-L167 HydrophobicContact CD1-CD2 3.65Å; I53-L167 HydrophobicContact CG1-CD2 4.21Å; I91-L167 HydrophobicContact CD1-CD1 3.5Å; I91-L167 VanDerWaalsContact CD1-CD1 3.5Å; I91-L167 HydrophobicContact CD1-CD2 4.44Å; I91-L167 HydrophobicContact CG1-CD1 4.26Å; L163-L167 HydrophobicContact CB-CD1 3.99Å; L163-L167 HydrophobicContact CD1-CD1 4.4Å; L163-L167 HydrophobicContact CD2-CD1 4.23Å; L163-L167 HydrophobicContact CG-CD1 4.43Å; L163-L167 WeakPolarHBondContact O-CB 3.31Å; L163-L167 PolarHBondContact O-N 3.16Å; L167-V169 HydrophobicContact CB-CG2 4.46Å; L167-V169 PolarHBondContact O-N 3.36Å; L167-L172 HydrophobicContact CD1-CD1 4.44Å |
| 168 | F | 84.4 | Confident | 86.2 | Confident | 80 Ų | 80 | 51.4 Ų | 51.4 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | trans | -85.4 | 85 | 164.2 | -59.3 | -69.8 | 0 | 0 | 0 | 107.6 | K48 D170 Q171 | K48-F168 HydrophobicContact CB-CE2 4.4Å; K48-F168 HydrophobicContact CB-CZ 4.41Å; K48-F168 HydrophobicContact CD-CE1 4.48Å; K48-F168 HydrophobicContact CG-CD1 4.34Å; K48-F168 HydrophobicContact CG-CD2 4.2Å; K48-F168 HydrophobicContact CG-CE1 3.94Å; K48-F168 HydrophobicContact CG-CE2 3.77Å; K48-F168 HydrophobicContact CG-CG 4.47Å; K48-F168 HydrophobicContact CG-CZ 3.64Å; F168-D170 PolarHBondContact O-N 3.13Å; F168-Q171 HydrophobicContact CB-CB 4.06Å; F168-Q171 HydrophobicContact CB-CG 3.9Å; F168-Q171 WeakPolarHBondContact O-CB 3.5Å; F168-Q171 PolarHBondContact O-N 3.2Å | ||
| 169 | V | 84.8 | Confident | 86.1 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 12% | 0.121 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -59.5 | -34 | -171.7 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | L160 L163 E164 L167 Q171 L172 I174 | L160-V169 HydrophobicContact CB-CG1 4.44Å; L163-V169 HydrophobicContact CB-CG2 3.65Å; E164-V169 HydrophobicContact CB-CG2 4.37Å; E164-V169 HydrophobicContact CG-CB 4.31Å; E164-V169 HydrophobicContact CG-CG2 3.72Å; L167-V169 HydrophobicContact CB-CG2 4.46Å; L167-V169 PolarHBondContact O-N 3.36Å; V169-Q171 PolarHBondContact O-N 3.45Å; V169-L172 WeakPolarHBondContact O-CB 3.48Å; V169-L172 PolarHBondContact O-N 3.44Å; V169-I174 HydrophobicContact CG1-CD1 3.76Å |
| 170 | D | 80.7 | Confident | 85.8 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -61.6 | -22.5 | 173.7 | 61 | -40.3 | 0 | 0 | 0 | 113.8 | F168 K283 | F168-D170 PolarHBondContact O-N 3.13Å; D170-K283 WeakPolarHBondContact O-CG 3.1Å; D170-K283 WeakPolarHBondContact OD2-CE 3.45Å; D170-K283 IonicContact OD2-NZ 2.82Å; D170-K283 PolarHBondContact OD2-NZ 3.16Å |
| 171 | Q | 78.3 | Confident | 85.4 | Confident | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -91.7 | -8.5 | 178.5 | -65.7 | 177.9 | 29.2 | 0 | 0 | 113.9 | F168 V169 K283 | F168-Q171 HydrophobicContact CB-CB 4.06Å; F168-Q171 HydrophobicContact CB-CG 3.9Å; F168-Q171 WeakPolarHBondContact O-CB 3.5Å; F168-Q171 PolarHBondContact O-N 3.2Å; V169-Q171 PolarHBondContact O-N 3.45Å; Q171-K283 HydrophobicContact CG-CB 4.34Å; Q171-K283 HydrophobicContact CG-CD 3.74Å; Q171-K283 HydrophobicContact CG-CG 3.99Å |
| 172 | L | 85.1 | Confident | 85.4 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -80.2 | 141.2 | -177.8 | -60.4 | 179.8 | 0 | 0 | 0 | 110.8 | A44 I53 V55 I91 L167 V169 I174 | A44-L172 HydrophobicContact CB-CD2 3.76Å; I53-L172 HydrophobicContact CD1-CD2 3.94Å; I53-L172 HydrophobicContact CG2-CD2 3.87Å; V55-L172 HydrophobicContact CG2-CD2 4.42Å; I91-L172 HydrophobicContact CD1-CD1 3.6Å; I91-L172 HydrophobicContact CD1-CD2 3.91Å; I91-L172 HydrophobicContact CD1-CG 4.43Å; L167-L172 HydrophobicContact CD1-CD1 4.44Å; V169-L172 WeakPolarHBondContact O-CB 3.48Å; V169-L172 PolarHBondContact O-N 3.44Å; L172-I174 HydrophobicContact CB-CD1 4.12Å; L172-I174 HydrophobicContact CB-CG1 3.66Å; L172-I174 PolarHBondContact O-N 3.16Å |
| 173 | P | 85.5 | Confident | 85.3 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | trans | -77.7 | 63.5 | 174.7 | 34.3 | -37.7 | 0 | 0 | 0 | 111.4 | Q42 A44 V55 P175 | Q42-P173 HydrophobicContact CB-CG 4.08Å; Q42-P173 VanDerWaalsContact OE1-CB 3.28Å; A44-P173 HydrophobicContact CB-CG 4.08Å; V55-P173 HydrophobicContact CB-CG 4.38Å; V55-P173 HydrophobicContact CG2-CG 4.3Å; P173-P175 WeakPolarHBondContact O-CD 3.41Å | ||
| 174 | I | 88.1 | Confident | 85.1 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | trans | -73.2 | 124.7 | -176.3 | -49.1 | -177.4 | 0 | 0 | 0 | 109.6 | F93 L160 V169 L172 V178 L179 | F93-I174 HydrophobicContact CE1-CG2 4.34Å; F93-I174 HydrophobicContact CE2-CB 4.49Å; F93-I174 HydrophobicContact CE2-CG1 4.18Å; F93-I174 HydrophobicContact CE2-CG2 4.36Å; F93-I174 HydrophobicContact CZ-CB 4.36Å; F93-I174 HydrophobicContact CZ-CD1 4.21Å; F93-I174 HydrophobicContact CZ-CG1 3.75Å; F93-I174 HydrophobicContact CZ-CG2 4.11Å; L160-I174 HydrophobicContact CD1-CD1 4.15Å; L160-I174 HydrophobicContact CD1-CG2 4.4Å; L160-I174 HydrophobicContact CD2-CD1 4.07Å; V169-I174 HydrophobicContact CG1-CD1 3.76Å; L172-I174 HydrophobicContact CB-CD1 4.12Å; L172-I174 HydrophobicContact CB-CG1 3.66Å; L172-I174 PolarHBondContact O-N 3.16Å; I174-V178 HydrophobicContact CG2-CB 3.83Å; I174-V178 HydrophobicContact CG2-CG1 3.83Å; I174-L179 HydrophobicContact CB-CD2 4.29Å; I174-L179 HydrophobicContact CB-CG 4.23Å; I174-L179 HydrophobicContact CD1-CD2 4.29Å; I174-L179 HydrophobicContact CG2-CD2 3.98Å; I174-L179 HydrophobicContact CG2-CG 3.83Å | ||
| 175 | P | 84.9 | Confident | 85 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -61.8 | 140 | 174.4 | -20.5 | 31.2 | 0 | 0 | 0 | 111.8 | S57 C59 P173 R177 V178 L179 | S57-P175 VanDerWaalsContact OG-CG 3.32Å; S57-P175 WeakPolarHBondContact OG-CG 3.45Å; C59-P175 VanDerWaalsContact SG-CB 3.53Å; P173-P175 WeakPolarHBondContact O-CD 3.41Å; P175-R177 PolarHBondContact O-N 2.87Å; P175-R177 VanDerWaalsContact O-N 3.09Å; P175-V178 HydrophobicContact CB-CG2 4.15Å; P175-V178 HydrophobicContact CG-CG2 4.15Å; P175-V178 WeakPolarHBondContact O-CA 3.41Å; P175-V178 WeakPolarHBondContact O-CB 3.27Å; P175-V178 PolarHBondContact O-N 2.76Å; P175-L179 PolarHBondContact O-N 3.08Å | ||
| 176 | Q | 84.8 | Confident | 85 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 34% | 0.336 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.8 | -35.1 | -179.8 | -168.1 | 60.8 | 39.4 | 0 | 0 | 113.1 | V178 L179 N180 | Q176-V178 VanDerWaalsContact C-N 3.26Å; Q176-V178 PolarHBondContact O-N 2.95Å; Q176-L179 PolarHBondContact O-N 2.84Å; Q176-N180 PolarHBondContact NE2-OD1 2.77Å; Q176-N180 WeakPolarHBondContact O-CB 3.49Å; Q176-N180 VanDerWaalsContact O-CG 3.23Å; Q176-N180 PolarHBondContact O-N 3.25Å; Q176-N180 PolarHBondContact O-OD1 3.35Å |
| 177 | R | 81.9 | Confident | 84.8 | Confident | 166 Ų | 166 | 54.6 Ų | 54.6 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.9 | -37.9 | 174.9 | -66.1 | -175.5 | -175.1 | 150 | 0.9 | 112.5 | C59 F95 P175 Y181 | C59-R177 PolarHBondContact O-NH1 3.42Å; C59-R177 VanDerWaalsContact O-NH1 3.12Å; F95-R177 HydrophobicContact CD1-CB 4.48Å; F95-R177 HydrophobicContact CE1-CB 4.09Å; F95-R177 VanDerWaalsContact CE1-O 3.27Å; F95-R177 WeakPolarHBondContact CE1-O 3.44Å; P175-R177 PolarHBondContact O-N 2.87Å; P175-R177 VanDerWaalsContact O-N 3.09Å; R177-Y181 WeakPolarHBondContact O-CB 3.4Å; R177-Y181 PolarHBondContact O-N 2.75Å |
| 178 | V | 86.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.6 | -45.3 | 177.2 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | F93 F95 I174 P175 Q176 N180 Y181 D182 | F93-V178 HydrophobicContact CB-CG1 4.5Å; F93-V178 HydrophobicContact CB-CG2 4.04Å; F93-V178 HydrophobicContact CD1-CG1 3.76Å; F93-V178 HydrophobicContact CE1-CG1 4.3Å; F93-V178 HydrophobicContact CG-CG1 4.24Å; F93-V178 HydrophobicContact CG-CG2 4.35Å; F95-V178 HydrophobicContact CB-CG2 4.41Å; F95-V178 HydrophobicContact CD1-CG2 4.31Å; I174-V178 HydrophobicContact CG2-CB 3.83Å; I174-V178 HydrophobicContact CG2-CG1 3.83Å; P175-V178 HydrophobicContact CB-CG2 4.15Å; P175-V178 HydrophobicContact CG-CG2 4.15Å; P175-V178 WeakPolarHBondContact O-CA 3.41Å; P175-V178 WeakPolarHBondContact O-CB 3.27Å; P175-V178 PolarHBondContact O-N 2.76Å; Q176-V178 VanDerWaalsContact C-N 3.26Å; Q176-V178 PolarHBondContact O-N 2.95Å; V178-N180 VanDerWaalsContact C-N 3.33Å; V178-N180 PolarHBondContact O-N 2.64Å; V178-Y181 PolarHBondContact O-N 3.41Å; V178-D182 PolarHBondContact O-N 3.26Å |
| 179 | L | 88.4 | Confident | 83.2 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 175.5 | -68.4 | 169.7 | 0 | 0 | 0 | 112 | L160 I174 P175 Q176 D182 K183 | L160-L179 HydrophobicContact CD1-CD2 3.67Å; I174-L179 HydrophobicContact CB-CD2 4.29Å; I174-L179 HydrophobicContact CB-CG 4.23Å; I174-L179 HydrophobicContact CD1-CD2 4.29Å; I174-L179 HydrophobicContact CG2-CD2 3.98Å; I174-L179 HydrophobicContact CG2-CG 3.83Å; P175-L179 PolarHBondContact O-N 3.08Å; Q176-L179 PolarHBondContact O-N 2.84Å; L179-D182 PolarHBondContact O-N 3.29Å; L179-K183 WeakPolarHBondContact O-CG 3.39Å; L179-K183 PolarHBondContact O-N 3.1Å |
| 180 | N | 85.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 33% | 0.326 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 178.3 | -68.6 | -3.7 | 0 | 0 | 0 | 111.6 | Q176 V178 K183 S184 | Q176-N180 PolarHBondContact NE2-OD1 2.77Å; Q176-N180 WeakPolarHBondContact O-CB 3.49Å; Q176-N180 VanDerWaalsContact O-CG 3.23Å; Q176-N180 PolarHBondContact O-N 3.25Å; Q176-N180 PolarHBondContact O-OD1 3.35Å; V178-N180 VanDerWaalsContact C-N 3.33Å; V178-N180 PolarHBondContact O-N 2.64Å; N180-K183 PolarHBondContact O-N 2.91Å; N180-S184 PolarHBondContact O-N 3.44Å; N180-S184 VanDerWaalsContact O-N 3.07Å |
| 181 | Y | 84.4 | Confident | 80.2 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 174.6 | -179.9 | -100.5 | 0 | 0 | 0 | 111.7 | F95 H130 R177 V178 K183 S184 I185 | F95-Y181 HydrophobicContact CB-CD1 4.31Å; F95-Y181 HydrophobicContact CD1-CG 4.23Å; F95-Y181 AromaticContact CD2-CD1 3.66Å; F95-Y181 HydrophobicContact CD2-CD1 3.66Å; F95-Y181 AromaticContact CD2-CD2 3.44Å; F95-Y181 HydrophobicContact CD2-CD2 3.44Å; F95-Y181 VanDerWaalsContact CD2-CD2 3.44Å; F95-Y181 AromaticContact CD2-CE1 3.99Å; F95-Y181 HydrophobicContact CD2-CE1 3.99Å; F95-Y181 AromaticContact CD2-CE2 3.76Å; F95-Y181 HydrophobicContact CD2-CE2 3.76Å; F95-Y181 AromaticContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CD2-CG 3.35Å; F95-Y181 HydrophobicContact CE1-CG 4.26Å; F95-Y181 HydrophobicContact CE2-CD1 4.18Å; F95-Y181 AromaticContact CE2-CD2 3.08Å; F95-Y181 HydrophobicContact CE2-CD2 3.08Å; F95-Y181 AromaticContact CE2-CE2 3.58Å; F95-Y181 HydrophobicContact CE2-CE2 3.58Å; F95-Y181 AromaticContact CE2-CG 3.41Å; F95-Y181 HydrophobicContact CE2-CG 3.41Å; F95-Y181 VanDerWaalsContact CE2-CG 3.41Å; F95-Y181 AromaticContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD1 3.97Å; F95-Y181 HydrophobicContact CG-CD2 4.32Å; F95-Y181 AromaticContact CG-CG 3.8Å; F95-Y181 HydrophobicContact CG-CG 3.8Å; F95-Y181 AromaticContact CZ-CD2 3.71Å; F95-Y181 HydrophobicContact CZ-CD2 3.71Å; F95-Y181 AromaticContact CZ-CG 3.88Å; F95-Y181 HydrophobicContact CZ-CG 3.88Å; H130-Y181 HydrophobicContact CB-CD1 4.19Å; H130-Y181 HydrophobicContact CB-CE1 3.76Å; H130-Y181 AromaticContact CD2-CD1 3.66Å; H130-Y181 AromaticContact CG-CD1 3.73Å; H130-Y181 AromaticContact CG-CE1 3.69Å; R177-Y181 WeakPolarHBondContact O-CB 3.4Å; R177-Y181 PolarHBondContact O-N 2.75Å; V178-Y181 PolarHBondContact O-N 3.41Å; Y181-K183 VanDerWaalsContact C-N 3.34Å; Y181-K183 PolarHBondContact O-N 3.45Å; Y181-S184 WeakPolarHBondContact O-CA 3.36Å; Y181-S184 WeakPolarHBondContact O-CB 3.43Å; Y181-S184 PolarHBondContact O-N 3.48Å; Y181-S184 PolarHBondContact O-OG 3.12Å; Y181-I185 HydrophobicContact CD1-CD1 4.46Å; Y181-I185 HydrophobicContact CD1-CG2 4.24Å; Y181-I185 HydrophobicContact CE1-CD1 4.17Å; Y181-I185 HydrophobicContact CE1-CG2 3.67Å; Y181-I185 HydrophobicContact CE2-CG2 4.01Å; Y181-I185 PolarHBondContact O-N 3.24Å |
| 182 | D | 90.1 | Very high | 78.4 | Confident | 22 Ų | 22 | 75.4 Ų | 75.4 | 12% | 0.118 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 176 | -173 | 72.6 | 0 | 0 | 0 | 111.5 | H130 T159 L160 V178 L179 S184 I185 V186 | H130-D182 IonicContact CE1-OD1 3.89Å; H130-D182 PolarHBondContact CE1-OD1 3.21Å; H130-D182 IonicContact NE2-OD1 2.78Å; T159-D182 VanDerWaalsContact CA-OD1 3.23Å; T159-D182 WeakPolarHBondContact CA-OD1 3.32Å; T159-D182 WeakPolarHBondContact CB-OD1 3.24Å; L160-D182 HydrophobicContact CD1-CB 3.75Å; L160-D182 HydrophobicContact CG-CB 3.99Å; L160-D182 PolarHBondContact N-OD1 3.07Å; V178-D182 PolarHBondContact O-N 3.26Å; L179-D182 PolarHBondContact O-N 3.29Å; D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 PolarHBondContact O-N 3.33Å; D182-I185 WeakPolarHBondContact O-CG1 3.33Å; D182-I185 PolarHBondContact O-N 3.2Å; D182-V186 WeakPolarHBondContact O-CB 3.47Å; D182-V186 VanDerWaalsContact O-CG2 3.24Å; D182-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.05Å |
| 183 | K | 89 | Confident | 76 | Confident | 107 Ų | 107 | 82 Ų | 82 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.9 | -41.3 | 172.9 | -69.9 | 177.1 | -176.8 | -177.4 | 0 | 112.1 | L179 N180 Y181 N187 | L179-K183 WeakPolarHBondContact O-CG 3.39Å; L179-K183 PolarHBondContact O-N 3.1Å; N180-K183 PolarHBondContact O-N 2.91Å; Y181-K183 VanDerWaalsContact C-N 3.34Å; Y181-K183 PolarHBondContact O-N 3.45Å; K183-N187 WeakPolarHBondContact O-CB 3.5Å; K183-N187 PolarHBondContact O-N 3.11Å; K183-N187 PolarHBondContact O-ND2 2.64Å; K183-N187 VanDerWaalsContact O-ND2 3.13Å |
| 184 | S | 85.9 | Confident | 73.5 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | -179.7 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | N180 Y181 D182 L188 | N180-S184 PolarHBondContact O-N 3.44Å; N180-S184 VanDerWaalsContact O-N 3.07Å; Y181-S184 WeakPolarHBondContact O-CA 3.36Å; Y181-S184 WeakPolarHBondContact O-CB 3.43Å; Y181-S184 PolarHBondContact O-N 3.48Å; Y181-S184 PolarHBondContact O-OG 3.12Å; D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 PolarHBondContact O-N 3.33Å; S184-L188 WeakPolarHBondContact O-CD1 3.37Å; S184-L188 VanDerWaalsContact O-CG 3.26Å; S184-L188 WeakPolarHBondContact O-CG 3.19Å; S184-L188 PolarHBondContact O-N 3.25Å |
| 185 | I | 84.1 | Confident | 71 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 16% | 0.159 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 177.9 | 61.4 | 175.1 | 0 | 0 | 0 | 111.2 | H130 E158 T159 Y181 D182 N187 L188 L189 | H130-I185 WeakPolarHBondContact ND1-CD1 3.08Å; E158-I185 WeakPolarHBondContact O-CD1 3.45Å; T159-I185 HydrophobicContact CG2-CD1 4.07Å; Y181-I185 HydrophobicContact CD1-CD1 4.46Å; Y181-I185 HydrophobicContact CD1-CG2 4.24Å; Y181-I185 HydrophobicContact CE1-CD1 4.17Å; Y181-I185 HydrophobicContact CE1-CG2 3.67Å; Y181-I185 HydrophobicContact CE2-CG2 4.01Å; Y181-I185 PolarHBondContact O-N 3.24Å; D182-I185 WeakPolarHBondContact O-CG1 3.33Å; D182-I185 PolarHBondContact O-N 3.2Å; I185-N187 VanDerWaalsContact C-N 3.3Å; I185-N187 PolarHBondContact O-N 3.33Å; I185-L188 PolarHBondContact O-N 2.93Å; I185-L189 WeakPolarHBondContact O-CG 3.22Å; I185-L189 PolarHBondContact O-N 3.25Å |
| 186 | V | 84.4 | Confident | 68.7 | Low | 63 Ų | 63 | 102.9 Ų | 102.9 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | T159 D182 L188 L189 | T159-V186 HydrophobicContact CG2-CG2 3.86Å; D182-V186 WeakPolarHBondContact O-CB 3.47Å; D182-V186 VanDerWaalsContact O-CG2 3.24Å; D182-V186 WeakPolarHBondContact O-CG2 3.48Å; D182-V186 PolarHBondContact O-N 3.05Å; V186-L188 VanDerWaalsContact C-N 3.27Å; V186-L188 PolarHBondContact O-N 3.16Å; V186-L189 PolarHBondContact O-N 3.44Å |
| 187 | N | 76.7 | Confident | 66.1 | Low | 125 Ų | 125 | 107.9 Ų | 107.9 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.9 | -23.9 | 175.1 | -73.3 | -25.3 | 0 | 0 | 0 | 113.6 | K183 I185 | K183-N187 WeakPolarHBondContact O-CB 3.5Å; K183-N187 PolarHBondContact O-N 3.11Å; K183-N187 PolarHBondContact O-ND2 2.64Å; K183-N187 VanDerWaalsContact O-ND2 3.13Å; I185-N187 VanDerWaalsContact C-N 3.3Å; I185-N187 PolarHBondContact O-N 3.33Å |
| 188 | L | 73 | Confident | 64 | Low | 145 Ų | 145 | 109.2 Ų | 109.2 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -87.4 | -19.1 | 177 | -68 | 167.3 | 0 | 0 | 0 | 112.8 | S184 I185 V186 | S184-L188 WeakPolarHBondContact O-CD1 3.37Å; S184-L188 VanDerWaalsContact O-CG 3.26Å; S184-L188 WeakPolarHBondContact O-CG 3.19Å; S184-L188 PolarHBondContact O-N 3.25Å; I185-L188 PolarHBondContact O-N 2.93Å; V186-L188 VanDerWaalsContact C-N 3.27Å; V186-L188 PolarHBondContact O-N 3.16Å |
| 189 | L | 65.3 | Low | 61.6 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 51% | 0.513 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -71.3 | 130.5 | 174.3 | -71.4 | 170.6 | 0 | 0 | 0 | 109.5 | T159 I185 V186 R191 | T159-L189 HydrophobicContact CG2-CD1 4.09Å; I185-L189 WeakPolarHBondContact O-CG 3.22Å; I185-L189 PolarHBondContact O-N 3.25Å; V186-L189 PolarHBondContact O-N 3.44Å; L189-R191 PolarHBondContact O-N 3.27Å; L189-R191 VanDerWaalsContact O-N 3.1Å |
| 190 | P | 53 | Low | 59.2 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 75% | 0.747 | 61% | 0.614 | S | S | * | * | trans | -55.9 | 121.7 | 174.9 | -20.1 | 30 | 0 | 0 | 0 | 109.3 | S192 | P190-S192 PolarHBondContact O-N 3.05Š| ||
| 191 | R | 48.7 | Very low | 57 | Low | 229 Ų | 229 | 121.8 Ų | 121.8 | 86% | 0.864 | 63% | 0.634 | S | S | * | * | trans | -59.1 | 101.6 | 173 | -75.1 | -177.4 | 178.8 | 172.7 | -1.2 | 108.3 | L189 I193 | L189-R191 PolarHBondContact O-N 3.27Å; L189-R191 VanDerWaalsContact O-N 3.1Å; R191-I193 PolarHBondContact O-N 3.29Å | ||
| 192 | S | 42.1 | Very low | 54.6 | Low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | trans | -53.9 | 112.1 | 168.7 | -52.6 | 0 | 0 | 0 | 0 | 108.4 | P190 | P190-S192 PolarHBondContact O-N 3.05Š| ||
| 193 | I | 33.5 | Very low | 52.1 | Low | 149 Ų | 149 | 130.4 Ų | 130.4 | 76% | 0.764 | 69% | 0.688 | S | S | * | * | trans | -51 | 133.7 | 176.1 | -59.8 | 165.7 | 0 | 0 | 0 | 108.6 | R191 K195 | R191-I193 PolarHBondContact O-N 3.29Å; I193-K195 PolarHBondContact O-N 2.69Å | ||
| 194 | P | 33.9 | Very low | 49.3 | Very low | 110 Ų | 110 | 131.7 Ų | 131.7 | 71% | 0.714 | 70% | 0.704 | S | S | * | * | trans | -59.5 | 127.9 | 176.3 | 16 | -21 | 0 | 0 | 0 | 109.9 | I196 | P194-I196 PolarHBondContact O-N 3.39Š| ||
| 195 | K | 34.2 | Very low | 46.8 | Very low | 209 Ų | 209 | 135 Ų | 135 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -54.7 | 105.4 | 178.6 | -73.3 | 179.9 | 176.2 | 177 | 0 | 110.3 | I193 | I193-K195 PolarHBondContact O-N 2.69Š| ||
| 196 | I | 36.6 | Very low | 44.2 | Very low | 162 Ų | 162 | 138 Ų | 138 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -78.1 | 123.2 | 160.3 | -66.2 | 173.1 | 0 | 0 | 0 | 107.1 | P194 | P194-I196 PolarHBondContact O-N 3.39Š| ||
| 197 | Q | 30.7 | Very low | 41.7 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -58.3 | 131 | 169.7 | -69.5 | 168.6 | -12.7 | 0 | 0 | 110.4 | ||||
| 198 | K | 38.2 | Very low | 39.6 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 175.5 | 119.8 | 130.9 | -96.9 | 166.7 | -176.4 | -176 | 0 | 111.5 | ||||
| 199 | D | 36.1 | Very low | 37.6 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | 22 | 135.7 | 141.2 | -65.2 | -28.9 | 0 | 0 | 0 | 121.6 | ||||
| 200 | S | 37.8 | Very low | 35.9 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | 87.3 | 100.3 | 145.3 | -54.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 201 | T | 38.7 | Very low | 34.9 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | 70.3 | 102.9 | 125 | -26.4 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 202 | S | 34.4 | Very low | 34.3 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 79.9 | 120.6 | 134.8 | -65.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 203 | Q | 37.8 | Very low | 33.8 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | 106 | 97.3 | 145.5 | -65.9 | 178.3 | 39.1 | 0 | 0 | 119.2 | ||||
| 204 | V | 30.6 | Very low | 33.4 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | 38.4 | 111.9 | 130.7 | -157.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 205 | S | 32.4 | Very low | 33.5 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -155.4 | 130.6 | 137 | -86.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 206 | A | 30.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -65 | 134.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 207 | L | 32.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -135.3 | 98.7 | 162.2 | -72.9 | 175.7 | 0 | 0 | 0 | 109.7 | ||||
| 208 | Y | 31.2 | Very low | 32.9 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 42.2 | 97.8 | 138.9 | -140 | -100.7 | 0 | 0 | 0 | 117.9 | ||||
| 209 | M | 31.7 | Very low | 32.7 | Very low | 179 Ų | 179 | 131 Ų | 131 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -86.4 | 122.8 | 158 | -80.4 | -77.7 | -156.3 | 0 | 0 | 108.9 | S211 | M209-S211 PolarHBondContact O-N 3Š| ||
| 210 | P | 30.5 | Very low | 32.5 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | trans | -74.5 | 114.3 | 158.7 | 6.1 | 10.4 | 0 | 0 | 0 | 107.7 | L212 | P210-L212 PolarHBondContact O-N 3.32Š| ||
| 211 | S | 32 | Very low | 32 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -60 | 112.7 | 165.3 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | M209 | M209-S211 PolarHBondContact O-N 3Š| ||
| 212 | L | 35.2 | Very low | 31.6 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -64.5 | 138.4 | 161.6 | -87.5 | 132.7 | 0 | 0 | 0 | 108.4 | P210 D214 | P210-L212 PolarHBondContact O-N 3.32Å; L212-D214 PolarHBondContact O-N 2.76Å | ||
| 213 | P | 31.2 | Very low | 31.5 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 120.7 | -170.9 | 14.2 | -11.7 | 0 | 0 | 0 | 111.7 | S215 | P213-S215 PolarHBondContact O-N 2.72Š| ||
| 214 | D | 26.3 | Very low | 31.1 | Very low | 164 Ų | 164 | 132 Ų | 132 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -65.4 | 111.2 | 155.9 | -83.2 | -30.6 | 0 | 0 | 0 | 108.2 | L212 | L212-D214 PolarHBondContact O-N 2.76Š| ||
| 215 | S | 34.8 | Very low | 31 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 56% | 0.559 | 77% | 0.769 | S | S | * | * | trans | -163.7 | 95.1 | 166.7 | -78.6 | 0 | 0 | 0 | 0 | 112.2 | P213 S217 | P213-S215 PolarHBondContact O-N 2.72Å; S215-S217 PolarHBondContact O-N 2.96Å | ||
| 216 | A | 30.2 | Very low | 30.8 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 98% | 0.983 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 38.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 217 | S | 29.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.1 | 12.1 | -171.6 | 60 | 0 | 0 | 0 | 0 | 116.1 | S215 | S215-S217 PolarHBondContact O-N 2.96Š|
| 218 | V | 30.7 | Very low | 30.7 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | trans | -106.7 | 105.7 | -174.6 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 219 | F | 32.9 | Very low | 31 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | trans | 84.6 | 68.1 | 145.4 | -73.2 | -128.2 | 0 | 0 | 0 | 116.5 | G221 V222 | F219-G221 WeakPolarHBondContact CB-O 3.45Å; F219-G221 WeakPolarHBondContact CD1-O 3.35Å; F219-G221 WeakPolarHBondContact CG-O 3.22Å; F219-V222 HydrophobicContact CD1-CB 4.05Å; F219-V222 HydrophobicContact CD1-CG2 4.4Å; F219-V222 HydrophobicContact CE1-CB 4.19Å; F219-V222 HydrophobicContact CE1-CG2 4.25Å | ||
| 220 | S | 31.8 | Very low | 31.9 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 94% | 0.937 | 75% | 0.748 | S | S | * | * | S | Bend | -29.8 | 109.9 | 95.2 | -170 | 0 | 0 | 0 | 0 | 114.6 | |||
| 221 | G | 27.4 | Very low | 33.5 | Very low | 49 Ų | 49 | 131.8 Ų | 131.8 | 51% | 0.505 | 75% | 0.751 | S | S | . | * | S | Bend | trans | 91.6 | 130.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F219 | F219-G221 WeakPolarHBondContact CB-O 3.45Å; F219-G221 WeakPolarHBondContact CD1-O 3.35Å; F219-G221 WeakPolarHBondContact CG-O 3.22Å |
| 222 | V | 31 | Very low | 35.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | trans | 78.6 | 65.2 | 175 | -153.3 | 0 | 0 | 0 | 0 | 116.8 | F219 | F219-V222 HydrophobicContact CD1-CB 4.05Å; F219-V222 HydrophobicContact CD1-CG2 4.4Å; F219-V222 HydrophobicContact CE1-CB 4.19Å; F219-V222 HydrophobicContact CE1-CG2 4.25Å | ||
| 223 | Y | 32.8 | Very low | 37.5 | Very low | 205 Ų | 205 | 125 Ų | 125 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -145.2 | 55.4 | 142.2 | -72.8 | -70.4 | 0 | 0 | 0 | 108.6 | ||||
| 224 | E | 28 | Very low | 40 | Very low | 179 Ų | 179 | 123.2 Ų | 123.2 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | trans | -88.3 | 134.9 | 140.9 | -79.5 | 173.5 | 161.5 | 0 | 0 | 105.1 | ||||
| 225 | E | 28.9 | Very low | 42.8 | Very low | 181 Ų | 181 | 119.8 Ų | 119.8 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 81.9 | 86.1 | -176.4 | -58.5 | -172 | 156 | 0 | 0 | 118.5 | ||
| 226 | Q | 28.6 | Very low | 45.3 | Very low | 162 Ų | 162 | 117.5 Ų | 117.5 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | 154.3 | 71.1 | 121.5 | -82.3 | -176.2 | 13.6 | 0 | 0 | 109.5 | K228 | Q226-K228 PolarHBondContact O-N 2.9Å; Q226-K228 VanDerWaalsContact O-N 3.08Å | |||
| 227 | C | 29.8 | Very low | 48.1 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 85% | 0.845 | 61% | 0.611 | S | S | * | * | trans | -63.1 | 102.2 | 137.7 | -117.3 | 0 | 0 | 0 | 0 | 103.3 | D229 | C227-D229 VanDerWaalsContact C-N 3.27Å; C227-D229 PolarHBondContact O-N 2.59Å | ||
| 228 | K | 31 | Very low | 51 | Low | 170 Ų | 170 | 107.4 Ų | 107.4 | 74% | 0.739 | 58% | 0.578 | S | S | * | * | trans | -56.8 | 109.4 | 158.7 | -77.8 | -174.6 | 176.9 | -178.2 | 0 | 104.1 | Q226 V230 | Q226-K228 PolarHBondContact O-N 2.9Å; Q226-K228 VanDerWaalsContact O-N 3.08Å; K228-V230 VanDerWaalsContact C-N 3.3Å; K228-V230 PolarHBondContact O-N 3.22Å | ||
| 229 | D | 36.6 | Very low | 53.6 | Low | 144 Ų | 144 | 107.4 Ų | 107.4 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | trans | -43.9 | 107.5 | 161.4 | -74.3 | -44.6 | 0 | 0 | 0 | 105.1 | C227 T231 | C227-D229 VanDerWaalsContact C-N 3.27Å; C227-D229 PolarHBondContact O-N 2.59Å; D229-T231 PolarHBondContact O-N 3.46Å | ||
| 230 | V | 51.5 | Low | 56.2 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | trans | -65.9 | 94.1 | 165.5 | 176.5 | 0 | 0 | 0 | 0 | 102.1 | K228 P232 | K228-V230 VanDerWaalsContact C-N 3.3Å; K228-V230 PolarHBondContact O-N 3.22Å; V230-P232 VanDerWaalsContact O-CD 3.24Å; V230-P232 WeakPolarHBondContact O-CD 3.26Å | ||
| 231 | T | 63.5 | Low | 59 | Low | 116 Ų | 116 | 97.4 Ų | 97.4 | 71% | 0.712 | 52% | 0.521 | S | S | * | . | trans | -54.3 | 115.5 | 175.4 | 47.4 | 0 | 0 | 0 | 0 | 105.1 | D229 D233 | D229-T231 PolarHBondContact O-N 3.46Å; T231-D233 PolarHBondContact O-N 3.44Å | ||
| 232 | P | 70.6 | Confident | 62 | Low | 52 Ų | 52 | 96 Ų | 96 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | trans | -53.2 | 143.7 | 178.6 | 16.2 | -25.7 | 0 | 0 | 0 | 108.8 | V230 Q236 V240 F244 | V230-P232 VanDerWaalsContact O-CD 3.24Å; V230-P232 WeakPolarHBondContact O-CD 3.26Å; P232-Q236 HydrophobicContact CB-CB 4.12Å; P232-Q236 HydrophobicContact CB-CG 4.19Å; P232-V240 HydrophobicContact CB-CG1 3.82Å; P232-V240 HydrophobicContact CG-CG1 4.08Å; P232-F244 HydrophobicContact CB-CE1 4.19Å; P232-F244 HydrophobicContact CB-CE2 4.22Å; P232-F244 HydrophobicContact CB-CZ 3.77Å; P232-F244 HydrophobicContact CG-CD2 4.05Å; P232-F244 HydrophobicContact CG-CE1 4.23Å; P232-F244 HydrophobicContact CG-CE2 3.53Å; P232-F244 HydrophobicContact CG-CZ 3.61Å | ||
| 233 | D | 79.7 | Confident | 64.9 | Low | 78 Ų | 78 | 95.9 Ų | 95.9 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | trans | -52.6 | 136.7 | 174.2 | -168.2 | -64.7 | 0 | 0 | 0 | 108.4 | T231 Q235 Q236 F244 | T231-D233 PolarHBondContact O-N 3.44Å; D233-Q235 PolarHBondContact O-N 2.81Å; D233-Q235 PolarHBondContact OD1-N 3.12Å; D233-Q236 HydrophobicContact CB-CB 4.42Å; D233-Q236 WeakPolarHBondContact O-CB 3.34Å; D233-Q236 PolarHBondContact O-N 3.49Å; D233-F244 WeakPolarHBondContact O-CZ 3.25Å | ||
| 234 | P | 84.5 | Confident | 67.6 | Low | 79 Ų | 79 | 88.3 Ų | 88.3 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -29.8 | 176.4 | -29.5 | 35.7 | 0 | 0 | 0 | 113.7 | N248 | P234-N248 WeakPolarHBondContact O-CB 3.41Š|
| 235 | Q | 84.9 | Confident | 70.5 | Confident | 92 Ų | 92 | 79.9 Ų | 79.9 | 43% | 0.43 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -8 | -180 | -62.5 | 176.5 | -26.8 | 0 | 0 | 114.1 | D233 Q237 N293 N294 | D233-Q235 PolarHBondContact O-N 2.81Å; D233-Q235 PolarHBondContact OD1-N 3.12Å; Q235-Q237 WeakPolarHBondContact O-CG 3.37Å; Q235-Q237 PolarHBondContact O-N 3.24Å; Q235-Q237 PolarHBondContact O-NE2 3.35Å; Q235-N293 CarbonylContact C-O 3.58Å; Q235-N294 PolarHBondContact OE1-O 3.38Å |
| 236 | Q | 88.4 | Confident | 73.3 | Confident | 31 Ų | 31 | 73.9 Ų | 73.9 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | trans | -57 | 123.5 | -178 | -175.4 | 75.3 | 27.1 | 0 | 0 | 111.4 | P232 D233 F238 V240 F244 N293 | P232-Q236 HydrophobicContact CB-CB 4.12Å; P232-Q236 HydrophobicContact CB-CG 4.19Å; D233-Q236 HydrophobicContact CB-CB 4.42Å; D233-Q236 WeakPolarHBondContact O-CB 3.34Å; D233-Q236 PolarHBondContact O-N 3.49Å; Q236-F238 WeakPolarHBondContact CG-O 3.19Å; Q236-F238 PolarHBondContact NE2-O 2.89Å; Q236-V240 HydrophobicContact CB-CG1 4.28Å; Q236-V240 HydrophobicContact CG-CG1 3.62Å; Q236-V240 HydrophobicContact CG-CG2 4.49Å; Q236-F244 HydrophobicContact CB-CE1 4.2Å; Q236-N293 VanDerWaalsContact CD-CG 3.47Å; Q236-N293 PolarHBondContact NE2-ND2 3.02Å; Q236-N293 VanDerWaalsContact NE2-ND2 3.19Å; Q236-N293 PolarHBondContact NE2-OD1 3.17Å; Q236-N293 VanDerWaalsContact NE2-OD1 3.14Å | ||
| 237 | Q | 88.7 | Confident | 76.2 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.028 | 39% | 0.388 | C | S | . | . | trans | -106.3 | -28.8 | -179.3 | -59.3 | -58.4 | -64.3 | 0 | 0 | 113.2 | Q235 I245 N249 I256 N293 F316 | Q235-Q237 WeakPolarHBondContact O-CG 3.37Å; Q235-Q237 PolarHBondContact O-N 3.24Å; Q235-Q237 PolarHBondContact O-NE2 3.35Å; Q237-I245 WeakPolarHBondContact O-CD1 3.37Å; Q237-N249 PolarHBondContact NE2-OD1 2.8Å; Q237-N249 PolarHBondContact OE1-ND2 3.08Å; Q237-I256 HydrophobicContact CG-CG2 4.35Å; Q237-N293 PolarHBondContact N-OD1 3.15Å; Q237-F316 VanDerWaalsContact O-CE2 3.28Å; Q237-F316 WeakPolarHBondContact O-CE2 3.26Å | ||
| 238 | F | 90 | Very high | 78.7 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.009 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -104.4 | 153.3 | -178.9 | -66.6 | -93 | 0 | 0 | 0 | 112 | Q236 V240 V257 Q289 Y292 N293 L312 F316 E319 | Q236-F238 WeakPolarHBondContact CG-O 3.19Å; Q236-F238 PolarHBondContact NE2-O 2.89Å; F238-V240 PolarHBondContact O-N 2.95Å; F238-V257 HydrophobicContact CE2-CG2 4.01Å; F238-V257 HydrophobicContact CZ-CG1 4.4Å; F238-V257 HydrophobicContact CZ-CG2 3.67Å; F238-Q289 HydrophobicContact CD1-CG 4.21Å; F238-Q289 HydrophobicContact CD2-CB 4.01Å; F238-Q289 HydrophobicContact CD2-CG 4.03Å; F238-Q289 HydrophobicContact CE1-CG 3.88Å; F238-Q289 HydrophobicContact CE2-CB 3.96Å; F238-Q289 HydrophobicContact CE2-CG 3.71Å; F238-Q289 HydrophobicContact CG-CG 4.29Å; F238-Q289 HydrophobicContact CZ-CB 4.4Å; F238-Q289 HydrophobicContact CZ-CG 3.64Å; F238-Y292 HydrophobicContact CE2-CD2 4.41Å; F238-Y292 HydrophobicContact CE2-CG 4.47Å; F238-N293 PolarHBondContact N-OD1 2.79Å; F238-L312 HydrophobicContact CE1-CD1 4.25Å; F238-L312 HydrophobicContact CE2-CD1 4.35Å; F238-L312 HydrophobicContact CZ-CD1 3.55Å; F238-L312 HydrophobicContact CZ-CG 4.22Å; F238-F316 HydrophobicContact CD1-CB 4.36Å; F238-F316 HydrophobicContact CD1-CD2 4.3Å; F238-F316 VanDerWaalsContact CE1-CA 3.5Å; F238-F316 HydrophobicContact CE1-CB 3.7Å; F238-F316 HydrophobicContact CE1-CD2 4.11Å; F238-F316 HydrophobicContact CE1-CG 4.43Å; F238-F316 HydrophobicContact CZ-CB 4.34Å; F238-F316 HydrophobicContact CZ-CD2 4.44Å; F238-E319 WeakPolarHBondContact CD1-OE2 3.43Å |
| 239 | N | 85.5 | Confident | 80.8 | Confident | 97 Ų | 97 | 61.3 Ų | 61.3 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 63.2 | 26.9 | 178.7 | -55.3 | -83.2 | 0 | 0 | 0 | 114.4 | E319 | N239-E319 WeakPolarHBondContact CA-O 3.29Å; N239-E319 PolarHBondContact N-O 3.26Å; N239-E319 VanDerWaalsContact N-O 3.08Å |
| 240 | V | 86.4 | Confident | 82.5 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.055 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -130.9 | 166.2 | 178.6 | -69.3 | 0 | 0 | 0 | 0 | 110 | P232 Q236 F238 F244 I245 | P232-V240 HydrophobicContact CB-CG1 3.82Å; P232-V240 HydrophobicContact CG-CG1 4.08Å; Q236-V240 HydrophobicContact CB-CG1 4.28Å; Q236-V240 HydrophobicContact CG-CG1 3.62Å; Q236-V240 HydrophobicContact CG-CG2 4.49Å; F238-V240 PolarHBondContact O-N 2.95Å; V240-F244 HydrophobicContact CB-CB 4.32Å; V240-F244 HydrophobicContact CB-CD1 3.67Å; V240-F244 HydrophobicContact CB-CE1 4.35Å; V240-F244 HydrophobicContact CB-CG 4.18Å; V240-F244 HydrophobicContact CG1-CD1 3.83Å; V240-F244 HydrophobicContact CG1-CE1 4.04Å; V240-F244 HydrophobicContact CG1-CG 4.43Å; V240-F244 HydrophobicContact CG2-CD1 3.83Å; V240-F244 HydrophobicContact CG2-CE1 4.43Å; V240-I245 HydrophobicContact CG2-CD1 3.87Å; V240-I245 HydrophobicContact CG2-CG1 3.59Å |
| 241 | S | 90.7 | Very high | 83.6 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | trans | -79.2 | 157.3 | 177 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | Q243 F244 I245 T321 | S241-Q243 PolarHBondContact O-N 2.9Å; S241-F244 WeakPolarHBondContact O-CB 3.43Å; S241-F244 PolarHBondContact O-N 2.79Å; S241-F244 VanDerWaalsContact O-N 3.12Å; S241-F244 WeakPolarHBondContact OG-CB 3.46Å; S241-F244 PolarHBondContact OG-N 3.48Å; S241-I245 PolarHBondContact O-N 2.64Å; S241-I245 VanDerWaalsContact O-N 3.15Å; S241-T321 WeakPolarHBondContact CA-OG1 3.47Å; S241-T321 WeakPolarHBondContact CB-OG1 3.28Å | ||
| 242 | L | 92 | Very high | 84.3 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.8 | -39 | 173.1 | -64.3 | 175.9 | 0 | 0 | 0 | 111.9 | F244 I245 K246 P255 F316 L320 L324 I363 | L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.39Å; L242-I245 PolarHBondContact O-N 3.2Å; L242-K246 WeakPolarHBondContact O-CB 3.42Å; L242-K246 PolarHBondContact O-N 3.48Å; L242-P255 HydrophobicContact CD2-CG 4.48Å; L242-F316 HydrophobicContact CD2-CE1 4.29Å; L242-F316 HydrophobicContact CD2-CZ 4.15Å; L242-L320 HydrophobicContact CD1-CD1 4.32Å; L242-L320 HydrophobicContact CD2-CD1 3.94Å; L242-L320 HydrophobicContact CD2-CD2 3.64Å; L242-L320 HydrophobicContact CD2-CG 4.47Å; L242-L320 HydrophobicContact CG-CD1 4.12Å; L242-L320 HydrophobicContact CG-CD2 4.14Å; L242-L324 HydrophobicContact CD1-CD1 3.74Å; L242-I363 HydrophobicContact CD1-CD1 3.69Å; L242-I363 HydrophobicContact CD2-CD1 3.48Å; L242-I363 VanDerWaalsContact CD2-CD1 3.48Å; L242-I363 HydrophobicContact CG-CD1 4.06Å |
| 243 | Q | 90.5 | Very high | 84.8 | Confident | 109 Ų | 109 | 56 Ų | 56 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 176 | -172.5 | 61.3 | 34.4 | 0 | 0 | 112.3 | S241 T247 | S241-Q243 PolarHBondContact O-N 2.9Å; Q243-T247 WeakPolarHBondContact O-CB 3.38Å; Q243-T247 PolarHBondContact O-N 3.45Å; Q243-T247 PolarHBondContact O-OG1 2.82Å |
| 244 | F | 90.4 | Very high | 85.3 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 20% | 0.202 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 176.1 | 176.2 | -90.7 | 0 | 0 | 0 | 110.8 | P232 D233 Q236 V240 S241 L242 K246 T247 N248 | P232-F244 HydrophobicContact CB-CE1 4.19Å; P232-F244 HydrophobicContact CB-CE2 4.22Å; P232-F244 HydrophobicContact CB-CZ 3.77Å; P232-F244 HydrophobicContact CG-CD2 4.05Å; P232-F244 HydrophobicContact CG-CE1 4.23Å; P232-F244 HydrophobicContact CG-CE2 3.53Å; P232-F244 HydrophobicContact CG-CZ 3.61Å; D233-F244 WeakPolarHBondContact O-CZ 3.25Å; Q236-F244 HydrophobicContact CB-CE1 4.2Å; V240-F244 HydrophobicContact CB-CB 4.32Å; V240-F244 HydrophobicContact CB-CD1 3.67Å; V240-F244 HydrophobicContact CB-CE1 4.35Å; V240-F244 HydrophobicContact CB-CG 4.18Å; V240-F244 HydrophobicContact CG1-CD1 3.83Å; V240-F244 HydrophobicContact CG1-CE1 4.04Å; V240-F244 HydrophobicContact CG1-CG 4.43Å; V240-F244 HydrophobicContact CG2-CD1 3.83Å; V240-F244 HydrophobicContact CG2-CE1 4.43Å; S241-F244 WeakPolarHBondContact O-CB 3.43Å; S241-F244 PolarHBondContact O-N 2.79Å; S241-F244 VanDerWaalsContact O-N 3.12Å; S241-F244 WeakPolarHBondContact OG-CB 3.46Å; S241-F244 PolarHBondContact OG-N 3.48Å; L242-F244 VanDerWaalsContact C-N 3.3Å; L242-F244 PolarHBondContact O-N 3.39Å; F244-K246 PolarHBondContact O-N 2.92Å; F244-T247 PolarHBondContact O-N 2.94Å; F244-N248 WeakPolarHBondContact CE1-ND2 3.23Å; F244-N248 WeakPolarHBondContact CE2-ND2 3.45Å; F244-N248 WeakPolarHBondContact CZ-ND2 3.37Å; F244-N248 PolarHBondContact O-N 3.49Å; F244-N248 VanDerWaalsContact O-N 3.12Å; F244-N248 PolarHBondContact O-ND2 3.25Å |
| 245 | I | 88.7 | Confident | 85.6 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 179.7 | -63 | 167.5 | 0 | 0 | 0 | 110.3 | Q237 V240 S241 L242 T247 N248 N249 P255 F316 | Q237-I245 WeakPolarHBondContact O-CD1 3.37Å; V240-I245 HydrophobicContact CG2-CD1 3.87Å; V240-I245 HydrophobicContact CG2-CG1 3.59Å; S241-I245 PolarHBondContact O-N 2.64Å; S241-I245 VanDerWaalsContact O-N 3.15Å; L242-I245 PolarHBondContact O-N 3.2Å; I245-T247 VanDerWaalsContact C-N 3.29Å; I245-T247 PolarHBondContact O-N 3.36Å; I245-N248 PolarHBondContact O-N 3.25Å; I245-N248 VanDerWaalsContact O-N 3.14Å; I245-N249 WeakPolarHBondContact CG2-ND2 3.43Å; I245-N249 VanDerWaalsContact O-CB 3.26Å; I245-N249 WeakPolarHBondContact O-CB 3.27Å; I245-N249 PolarHBondContact O-N 3.37Å; I245-P255 HydrophobicContact CD1-CG 4.33Å; I245-P255 HydrophobicContact CG2-CB 3.92Å; I245-P255 HydrophobicContact CG2-CG 4.03Å; I245-F316 HydrophobicContact CD1-CE2 3.68Å; I245-F316 HydrophobicContact CD1-CZ 3.64Å |
| 246 | K | 87.4 | Confident | 85.7 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 179 | 179.8 | 176 | 174.8 | -178.3 | 0 | 112.1 | L242 F244 N248 N249 G251 D359 | L242-K246 WeakPolarHBondContact O-CB 3.42Å; L242-K246 PolarHBondContact O-N 3.48Å; F244-K246 PolarHBondContact O-N 2.92Å; K246-N248 VanDerWaalsContact C-N 3.33Å; K246-N248 PolarHBondContact O-N 3.45Å; K246-N249 PolarHBondContact O-N 2.97Å; K246-G251 WeakPolarHBondContact CE-O 3.48Å; K246-G251 WeakPolarHBondContact O-CA 3.46Å; K246-G251 PolarHBondContact O-N 3.47Å; K246-D359 VanDerWaalsContact CD-OD2 3.23Å; K246-D359 WeakPolarHBondContact CD-OD2 3.43Å; K246-D359 IonicContact NZ-OD1 3.82Å; K246-D359 PolarHBondContact NZ-OD1 2.88Å; K246-D359 IonicContact NZ-OD2 3.27Å; K246-D359 PolarHBondContact NZ-OD2 3.17Å |
| 247 | T | 88.6 | Confident | 85.8 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 58% | 0.577 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64 | -37.9 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | Q243 F244 I245 | Q243-T247 WeakPolarHBondContact O-CB 3.38Å; Q243-T247 PolarHBondContact O-N 3.45Å; Q243-T247 PolarHBondContact O-OG1 2.82Å; F244-T247 PolarHBondContact O-N 2.94Å; I245-T247 VanDerWaalsContact C-N 3.29Å; I245-T247 PolarHBondContact O-N 3.36Å |
| 248 | N | 83.3 | Confident | 86 | Confident | 62 Ų | 62 | 47.5 Ų | 47.5 | 33% | 0.332 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -88.4 | -19.4 | -179.4 | -65.9 | -73.4 | 0 | 0 | 0 | 114.1 | P234 F244 I245 K246 G250 | P234-N248 WeakPolarHBondContact O-CB 3.41Å; F244-N248 WeakPolarHBondContact CE1-ND2 3.23Å; F244-N248 WeakPolarHBondContact CE2-ND2 3.45Å; F244-N248 WeakPolarHBondContact CZ-ND2 3.37Å; F244-N248 PolarHBondContact O-N 3.49Å; F244-N248 VanDerWaalsContact O-N 3.12Å; F244-N248 PolarHBondContact O-ND2 3.25Å; I245-N248 PolarHBondContact O-N 3.25Å; I245-N248 VanDerWaalsContact O-N 3.14Å; K246-N248 VanDerWaalsContact C-N 3.33Å; K246-N248 PolarHBondContact O-N 3.45Å; N248-G250 VanDerWaalsContact C-N 3.31Å; N248-G250 PolarHBondContact O-N 3.21Å |
| 249 | N | 74.6 | Confident | 85.9 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 31 | 178 | -69.4 | -0.2 | 0 | 0 | 0 | 112.8 | Q237 I245 K246 G251 R252 | Q237-N249 PolarHBondContact NE2-OD1 2.8Å; Q237-N249 PolarHBondContact OE1-ND2 3.08Å; I245-N249 WeakPolarHBondContact CG2-ND2 3.43Å; I245-N249 VanDerWaalsContact O-CB 3.26Å; I245-N249 WeakPolarHBondContact O-CB 3.27Å; I245-N249 PolarHBondContact O-N 3.37Å; K246-N249 PolarHBondContact O-N 2.97Å; N249-G251 VanDerWaalsContact C-N 3.3Å; N249-G251 PolarHBondContact O-N 3.28Å; N249-R252 PolarHBondContact O-N 3.47Å |
| 250 | G | 73 | Confident | 86.2 | Confident | 76 Ų | 76 | 48 Ų | 48 | 78% | 0.784 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 26 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N248 R252 | N248-G250 VanDerWaalsContact C-N 3.31Å; N248-G250 PolarHBondContact O-N 3.21Å; G250-R252 VanDerWaalsContact C-N 3.34Å |
| 251 | G | 74.2 | Confident | 86.7 | Confident | 40 Ų | 40 | 47.5 Ų | 47.5 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 2.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K246 N249 | K246-G251 WeakPolarHBondContact CE-O 3.48Å; K246-G251 WeakPolarHBondContact O-CA 3.46Å; K246-G251 PolarHBondContact O-N 3.47Å; N249-G251 VanDerWaalsContact C-N 3.3Å; N249-G251 PolarHBondContact O-N 3.28Å |
| 252 | R | 77.8 | Confident | 87.1 | Confident | 160 Ų | 160 | 45.4 Ų | 45.4 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | trans | -68.8 | 127.2 | 176.5 | -68.9 | -167.1 | -128 | -173.7 | 2 | 110.7 | N249 G250 | N249-R252 PolarHBondContact O-N 3.47Å; G250-R252 VanDerWaalsContact C-N 3.34Å | ||
| 253 | P | 82.6 | Confident | 87.2 | Confident | 37 Ų | 37 | 48.8 Ų | 48.8 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -74.9 | -33.4 | -177.6 | 24.9 | -28.1 | 0 | 0 | 0 | 112.2 | P255 E362 I363 | P253-P255 WeakPolarHBondContact O-CD 3.43Å; P253-E362 HydrophobicContact CB-CB 4.5Å; P253-E362 VanDerWaalsContact CB-OE2 3.31Å; P253-E362 WeakPolarHBondContact CB-OE2 3.44Å; P253-E362 WeakPolarHBondContact CG-OE2 3.3Å; P253-I363 WeakPolarHBondContact O-CD1 3.45Å |
| 254 | I | 89.2 | Confident | 87.5 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -86.4 | 121.6 | 178.5 | -49.8 | -178.2 | 0 | 0 | 0 | 109.5 | F258 E259 F366 | I254-F258 HydrophobicContact CG2-CB 4.12Å; I254-F258 HydrophobicContact CG2-CD1 4.19Å; I254-E259 HydrophobicContact CB-CG 4.17Å; I254-E259 HydrophobicContact CG2-CG 3.53Å; I254-F366 HydrophobicContact CD1-CB 4.06Å; I254-F366 HydrophobicContact CD1-CD1 4.18Å; I254-F366 HydrophobicContact CD1-CD2 3.61Å; I254-F366 HydrophobicContact CD1-CE2 4.03Å; I254-F366 HydrophobicContact CD1-CG 3.7Å; I254-F366 HydrophobicContact CD1-CZ 4.46Å; I254-F366 HydrophobicContact CG2-CD1 4.22Å; I254-F366 HydrophobicContact CG2-CE1 4.32Å |
| 255 | P | 90.7 | Very high | 87.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | trans | -65.2 | 143.9 | 176.6 | -23.8 | 35.9 | 0 | 0 | 0 | 112.6 | L242 I245 P253 V257 F258 E259 F316 I363 | L242-P255 HydrophobicContact CD2-CG 4.48Å; I245-P255 HydrophobicContact CD1-CG 4.33Å; I245-P255 HydrophobicContact CG2-CB 3.92Å; I245-P255 HydrophobicContact CG2-CG 4.03Å; P253-P255 WeakPolarHBondContact O-CD 3.43Å; P255-V257 VanDerWaalsContact C-N 3.3Å; P255-V257 HydrophobicContact CB-CG1 4.27Å; P255-V257 PolarHBondContact O-N 3.4Å; P255-F258 HydrophobicContact CB-CB 4.21Å; P255-F258 WeakPolarHBondContact O-CA 3.39Å; P255-F258 WeakPolarHBondContact O-CB 3.36Å; P255-F258 PolarHBondContact O-N 3.24Å; P255-E259 PolarHBondContact O-N 2.64Å; P255-E259 VanDerWaalsContact O-N 3.15Å; P255-F316 HydrophobicContact CB-CE1 4.44Å; P255-F316 HydrophobicContact CB-CE2 4.06Å; P255-F316 HydrophobicContact CB-CZ 3.76Å; P255-F316 HydrophobicContact CG-CE1 3.92Å; P255-F316 HydrophobicContact CG-CE2 4.19Å; P255-F316 HydrophobicContact CG-CZ 3.4Å; P255-F316 VanDerWaalsContact CG-CZ 3.4Å; P255-I363 HydrophobicContact CG-CD1 4.46Å | ||
| 256 | I | 87.5 | Confident | 88.3 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 41% | 0.405 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.2 | -43.3 | -178.5 | -170.8 | 168.3 | 0 | 0 | 0 | 112.5 | Q237 F258 E259 D260 Y292 | Q237-I256 HydrophobicContact CG-CG2 4.35Å; I256-F258 PolarHBondContact O-N 3.4Å; I256-F258 VanDerWaalsContact O-N 3.14Å; I256-E259 PolarHBondContact O-N 3.21Å; I256-E259 VanDerWaalsContact O-N 3.15Å; I256-D260 WeakPolarHBondContact CG1-OD2 3.4Å; I256-D260 WeakPolarHBondContact O-CB 3.24Å; I256-D260 VanDerWaalsContact O-CG 3.3Å; I256-D260 PolarHBondContact O-N 3.29Å; I256-Y292 HydrophobicContact CG2-CD1 4.29Å; I256-Y292 HydrophobicContact CG2-CE1 4.48Å |
| 257 | V | 91 | Very high | 88.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -25.7 | 177.5 | 69.9 | 0 | 0 | 0 | 0 | 113.3 | F238 P255 A261 Y292 L312 F316 | F238-V257 HydrophobicContact CE2-CG2 4.01Å; F238-V257 HydrophobicContact CZ-CG1 4.4Å; F238-V257 HydrophobicContact CZ-CG2 3.67Å; P255-V257 VanDerWaalsContact C-N 3.3Å; P255-V257 HydrophobicContact CB-CG1 4.27Å; P255-V257 PolarHBondContact O-N 3.4Å; V257-A261 VanDerWaalsContact O-CB 3.23Å; V257-A261 WeakPolarHBondContact O-CB 3.44Å; V257-A261 PolarHBondContact O-N 2.75Å; V257-Y292 HydrophobicContact CB-CD1 3.87Å; V257-Y292 HydrophobicContact CB-CD2 4.42Å; V257-Y292 HydrophobicContact CB-CE1 3.85Å; V257-Y292 HydrophobicContact CB-CE2 4.43Å; V257-Y292 HydrophobicContact CB-CG 4.15Å; V257-Y292 HydrophobicContact CG2-CD1 4.07Å; V257-Y292 HydrophobicContact CG2-CD2 3.72Å; V257-Y292 HydrophobicContact CG2-CE1 3.97Å; V257-Y292 HydrophobicContact CG2-CE2 3.65Å; V257-Y292 HydrophobicContact CG2-CG 3.95Å; V257-L312 HydrophobicContact CG2-CD1 4.36Å; V257-L312 HydrophobicContact CG2-CD2 3.74Å; V257-L312 HydrophobicContact CG2-CG 3.92Å; V257-F316 HydrophobicContact CG1-CB 4.45Å; V257-F316 HydrophobicContact CG1-CD2 3.32Å; V257-F316 HydrophobicContact CG1-CE2 3.68Å; V257-F316 HydrophobicContact CG1-CG 3.92Å |
| 258 | F | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -78.8 | -42.9 | 178.1 | -147.8 | -95.1 | 0 | 0 | 0 | 111 | I254 P255 I256 I262 L313 F316 L317 I363 F366 L367 | I254-F258 HydrophobicContact CG2-CB 4.12Å; I254-F258 HydrophobicContact CG2-CD1 4.19Å; P255-F258 HydrophobicContact CB-CB 4.21Å; P255-F258 WeakPolarHBondContact O-CA 3.39Å; P255-F258 WeakPolarHBondContact O-CB 3.36Å; P255-F258 PolarHBondContact O-N 3.24Å; I256-F258 PolarHBondContact O-N 3.4Å; I256-F258 VanDerWaalsContact O-N 3.14Å; F258-I262 HydrophobicContact CD1-CD1 3.73Å; F258-I262 HydrophobicContact CE1-CD1 3.58Å; F258-I262 HydrophobicContact CZ-CD1 4.47Å; F258-I262 WeakPolarHBondContact O-CB 3.18Å; F258-I262 WeakPolarHBondContact O-CG1 3.14Å; F258-I262 PolarHBondContact O-N 3.34Å; F258-L313 HydrophobicContact CD1-CD1 4.1Å; F258-L313 HydrophobicContact CD2-CD1 3.34Å; F258-L313 HydrophobicContact CE1-CD1 4.11Å; F258-L313 HydrophobicContact CE2-CD1 3.35Å; F258-L313 HydrophobicContact CE2-CG 4.22Å; F258-L313 HydrophobicContact CG-CD1 3.73Å; F258-L313 HydrophobicContact CZ-CD1 3.76Å; F258-F316 AromaticContact CD2-CD1 3.54Å; F258-F316 HydrophobicContact CD2-CD1 3.54Å; F258-F316 AromaticContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CG 4.39Å; F258-F316 AromaticContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CE1 4.38Å; F258-L317 HydrophobicContact CE2-CD1 4.31Å; F258-L317 HydrophobicContact CE2-CD2 3.65Å; F258-L317 HydrophobicContact CE2-CG 3.9Å; F258-L317 HydrophobicContact CZ-CD2 4.12Å; F258-I363 HydrophobicContact CD1-CG2 4.41Å; F258-I363 HydrophobicContact CE1-CG2 3.97Å; F258-I363 HydrophobicContact CE2-CG2 4.16Å; F258-I363 HydrophobicContact CZ-CG2 3.83Å; F258-F366 AromaticContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CE1 4.28Å; F258-F366 AromaticContact CE1-CD1 3.99Å; F258-F366 HydrophobicContact CE1-CD1 3.99Å; F258-L367 HydrophobicContact CE1-CB 3.95Å; F258-L367 HydrophobicContact CE1-CD1 4.35Å; F258-L367 HydrophobicContact CZ-CB 3.82Å; F258-L367 HydrophobicContact CZ-CD1 3.89Å; F258-L367 HydrophobicContact CZ-CD2 4.22Å; F258-L367 HydrophobicContact CZ-CG 4.17Å |
| 259 | E | 89.7 | Confident | 89.7 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -54.8 | 174.4 | -64.3 | -174.2 | 115 | 0 | 0 | 110.5 | I254 P255 I256 A261 I262 D263 | I254-E259 HydrophobicContact CB-CG 4.17Å; I254-E259 HydrophobicContact CG2-CG 3.53Å; P255-E259 PolarHBondContact O-N 2.64Å; P255-E259 VanDerWaalsContact O-N 3.15Å; I256-E259 PolarHBondContact O-N 3.21Å; I256-E259 VanDerWaalsContact O-N 3.15Å; E259-A261 VanDerWaalsContact C-N 3.31Å; E259-A261 PolarHBondContact O-N 3.07Å; E259-I262 PolarHBondContact O-N 3.09Å; E259-I262 VanDerWaalsContact O-N 3.14Å; E259-D263 WeakPolarHBondContact O-CB 3.29Å; E259-D263 PolarHBondContact O-N 3.26Å |
| 260 | D | 91.7 | Very high | 90.9 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.9 | -44.2 | -177.4 | -68.1 | -18.1 | 0 | 0 | 0 | 111.8 | I256 Y264 Y292 L300 | I256-D260 WeakPolarHBondContact CG1-OD2 3.4Å; I256-D260 WeakPolarHBondContact O-CB 3.24Å; I256-D260 VanDerWaalsContact O-CG 3.3Å; I256-D260 PolarHBondContact O-N 3.29Å; D260-Y264 WeakPolarHBondContact O-CB 3.21Å; D260-Y264 PolarHBondContact O-N 3.38Å; D260-Y292 WeakPolarHBondContact CB-OH 3.49Å; D260-Y292 WeakPolarHBondContact OD2-CE1 3.37Å; D260-Y292 PolarHBondContact OD2-OH 3.12Å; D260-L300 HydrophobicContact CB-CD1 4.36Å |
| 261 | A | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V257 E259 L265 L300 L313 | V257-A261 VanDerWaalsContact O-CB 3.23Å; V257-A261 WeakPolarHBondContact O-CB 3.44Å; V257-A261 PolarHBondContact O-N 2.75Å; E259-A261 VanDerWaalsContact C-N 3.31Å; E259-A261 PolarHBondContact O-N 3.07Å; A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 VanDerWaalsContact O-CD1 3.24Å; A261-L265 WeakPolarHBondContact O-CD1 3.4Å; A261-L265 WeakPolarHBondContact O-CG 3.24Å; A261-L265 PolarHBondContact O-N 2.92Å; A261-L300 HydrophobicContact CB-CD1 4.17Å; A261-L313 HydrophobicContact CB-CB 4.22Å; A261-L313 HydrophobicContact CB-CD1 4.25Å |
| 262 | I | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -40.4 | -179.8 | -76.3 | 175.5 | 0 | 0 | 0 | 111 | F258 E259 L265 R266 L313 F366 F370 | F258-I262 HydrophobicContact CD1-CD1 3.73Å; F258-I262 HydrophobicContact CE1-CD1 3.58Å; F258-I262 HydrophobicContact CZ-CD1 4.47Å; F258-I262 WeakPolarHBondContact O-CB 3.18Å; F258-I262 WeakPolarHBondContact O-CG1 3.14Å; F258-I262 PolarHBondContact O-N 3.34Å; E259-I262 PolarHBondContact O-N 3.09Å; E259-I262 VanDerWaalsContact O-N 3.14Å; I262-L265 PolarHBondContact O-N 3.18Å; I262-R266 WeakPolarHBondContact O-CG 3.41Å; I262-R266 PolarHBondContact O-N 3.25Å; I262-L313 HydrophobicContact CD1-CD1 4.33Å; I262-L313 HydrophobicContact CD1-CD2 4.29Å; I262-L313 HydrophobicContact CG1-CD1 4.2Å; I262-L313 HydrophobicContact CG1-CD2 3.89Å; I262-F366 HydrophobicContact CB-CE1 4.15Å; I262-F366 HydrophobicContact CD1-CD1 3.61Å; I262-F366 HydrophobicContact CD1-CE1 3.53Å; I262-F366 HydrophobicContact CG1-CE1 4.4Å; I262-F366 HydrophobicContact CG2-CE1 4.03Å; I262-F366 HydrophobicContact CG2-CZ 4.3Å; I262-F370 HydrophobicContact CD1-CB 4.32Å; I262-F370 HydrophobicContact CD1-CD1 4.06Å; I262-F370 HydrophobicContact CD1-CG 4.3Å; I262-F370 HydrophobicContact CG1-CD1 3.83Å; I262-F370 HydrophobicContact CG1-CE1 4.13Å; I262-F370 HydrophobicContact CG1-CG 4.15Å; I262-F370 HydrophobicContact CG2-CB 4.14Å; I262-F370 HydrophobicContact CG2-CD1 4.32Å; I262-F370 HydrophobicContact CG2-CD2 3.79Å; I262-F370 HydrophobicContact CG2-CE2 4.31Å; I262-F370 HydrophobicContact CG2-CG 3.8Å |
| 263 | D | 93.8 | Very high | 94.1 | Very high | 88 Ų | 88 | 43.3 Ų | 43.3 | 47% | 0.471 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 179.3 | -75.5 | -10.4 | 0 | 0 | 0 | 111.5 | E259 L265 R266 D267 | E259-D263 WeakPolarHBondContact O-CB 3.29Å; E259-D263 PolarHBondContact O-N 3.26Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 3.4Å; D263-R266 PolarHBondContact O-N 3.35Å; D263-R266 IonicContact OD1-NH1 3.79Å; D263-D267 PolarHBondContact O-N 2.9Å; D263-D267 VanDerWaalsContact O-N 3.08Å |
| 264 | Y | 97.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 173.2 | 176.8 | -106.8 | 0 | 0 | 0 | 112.4 | D260 R266 D267 R268 L300 R301 D304 D305 A309 | D260-Y264 WeakPolarHBondContact O-CB 3.21Å; D260-Y264 PolarHBondContact O-N 3.38Å; Y264-R266 VanDerWaalsContact C-N 3.35Å; Y264-D267 PolarHBondContact O-N 2.85Å; Y264-R268 HydrophobicContact CD2-CG 4.18Å; Y264-R268 HydrophobicContact CE2-CB 4.05Å; Y264-R268 HydrophobicContact CE2-CG 3.66Å; Y264-R268 PolarHBondContact O-N 3.09Å; Y264-L300 HydrophobicContact CD1-CB 3.93Å; Y264-L300 HydrophobicContact CD1-CD1 4.5Å; Y264-L300 HydrophobicContact CD2-CB 4.09Å; Y264-L300 HydrophobicContact CE1-CB 4.43Å; Y264-L300 HydrophobicContact CG-CB 3.72Å; Y264-R301 HydrophobicContact CD2-CG 3.72Å; Y264-R301 HydrophobicContact CE2-CB 4.37Å; Y264-R301 HydrophobicContact CE2-CG 3.88Å; Y264-D304 WeakPolarHBondContact OH-CA 3.33Å; Y264-D305 PolarHBondContact OH-N 3.4Å; Y264-D305 VanDerWaalsContact OH-N 3.09Å; Y264-A309 HydrophobicContact CD1-CB 3.48Å; Y264-A309 VanDerWaalsContact CD1-CB 3.48Å; Y264-A309 HydrophobicContact CE1-CB 3.99Å |
| 265 | L | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.6 | -30.9 | 178 | -71.3 | 166.1 | 0 | 0 | 0 | 112.9 | A261 I262 D263 G269 L270 I275 F276 P306 A309 A310 L313 F370 | A261-L265 VanDerWaalsContact O-CB 3.31Å; A261-L265 WeakPolarHBondContact O-CB 3.29Å; A261-L265 VanDerWaalsContact O-CD1 3.24Å; A261-L265 WeakPolarHBondContact O-CD1 3.4Å; A261-L265 WeakPolarHBondContact O-CG 3.24Å; A261-L265 PolarHBondContact O-N 2.92Å; I262-L265 PolarHBondContact O-N 3.18Å; D263-L265 VanDerWaalsContact C-N 3.34Å; D263-L265 PolarHBondContact O-N 3.4Å; L265-G269 CarbonylContact O-C 3.4Å; L265-G269 WeakPolarHBondContact O-CA 3.23Å; L265-G269 PolarHBondContact O-N 2.74Å; L265-L270 PolarHBondContact O-N 2.92Å; L265-L270 VanDerWaalsContact O-N 3.08Å; L265-I275 HydrophobicContact CD2-CD1 3.67Å; L265-I275 HydrophobicContact CD2-CG1 4.1Å; L265-F276 HydrophobicContact CD1-CE1 3.93Å; L265-F276 HydrophobicContact CD1-CZ 3.65Å; L265-P306 HydrophobicContact CD2-CB 4.36Å; L265-P306 VanDerWaalsContact CD2-O 3.31Å; L265-P306 WeakPolarHBondContact CD2-O 3.06Å; L265-A309 HydrophobicContact CD1-CB 4.23Å; L265-A309 HydrophobicContact CD2-CB 4.06Å; L265-A309 HydrophobicContact CG-CB 3.93Å; L265-A310 HydrophobicContact CD1-CB 4.4Å; L265-A310 HydrophobicContact CD2-CB 4.22Å; L265-L313 HydrophobicContact CD1-CD2 4.48Å; L265-F370 HydrophobicContact CB-CE2 4.17Å; L265-F370 HydrophobicContact CB-CZ 3.63Å; L265-F370 HydrophobicContact CD1-CE1 4.37Å; L265-F370 HydrophobicContact CD1-CZ 4.18Å |
| 266 | R | 97.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 40.7 Ų | 40.7 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 169.4 | -78.4 | -176.7 | 173.6 | 124.2 | 6 | 111.9 | I262 D263 Y264 L270 F370 E373 | I262-R266 WeakPolarHBondContact O-CG 3.41Å; I262-R266 PolarHBondContact O-N 3.25Å; D263-R266 PolarHBondContact O-N 3.35Å; D263-R266 IonicContact OD1-NH1 3.79Å; Y264-R266 VanDerWaalsContact C-N 3.35Å; R266-L270 WeakPolarHBondContact O-CD1 3.42Å; R266-F370 HydrophobicContact CG-CD2 3.98Å; R266-F370 HydrophobicContact CG-CE2 3.89Å; R266-E373 IonicContact CZ-OE2 2.68Å; R266-E373 IonicContact NE-OE1 3.05Å; R266-E373 IonicContact NE-OE2 2.63Å; R266-E373 PolarHBondContact NE-OE2 3.21Å; R266-E373 IonicContact NH2-OE2 3.54Å; R266-E373 PolarHBondContact NH2-OE2 3.45Å |
| 267 | D | 96 | Very high | 95.5 | Very high | 104 Ų | 104 | 40 Ų | 40 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -69.3 | -44.8 | 179.9 | -174.6 | 52.2 | 0 | 0 | 0 | 112.5 | D263 Y264 | D263-D267 PolarHBondContact O-N 2.9Å; D263-D267 VanDerWaalsContact O-N 3.08Å; Y264-D267 PolarHBondContact O-N 2.85Å |
| 268 | R | 96.6 | Very high | 95.2 | Very high | 135 Ų | 135 | 47 Ų | 47 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -124 | -14.9 | -168.4 | -57.2 | -55.4 | -156 | 143.2 | 19.8 | 116.1 | Y264 T272 P306 | Y264-R268 HydrophobicContact CD2-CG 4.18Å; Y264-R268 HydrophobicContact CE2-CB 4.05Å; Y264-R268 HydrophobicContact CE2-CG 3.66Å; Y264-R268 PolarHBondContact O-N 3.09Å; R268-T272 PolarHBondContact O-OG1 3.22Å; R268-P306 HydrophobicContact CB-CG 4.25Å |
| 269 | G | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -19.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | L265 T271 T272 | L265-G269 CarbonylContact O-C 3.4Å; L265-G269 WeakPolarHBondContact O-CA 3.23Å; L265-G269 PolarHBondContact O-N 2.74Å; G269-T271 VanDerWaalsContact C-N 3.28Å; G269-T271 PolarHBondContact O-N 3.47Å; G269-T272 WeakPolarHBondContact CA-OG1 3.21Å; G269-T272 WeakPolarHBondContact O-CB 3.38Å; G269-T272 PolarHBondContact O-N 2.97Å; G269-T272 VanDerWaalsContact O-N 3.12Å; G269-T272 PolarHBondContact O-OG1 3.17Å |
| 270 | L | 98.4 | Very high | 94.6 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.3 | -170.8 | -69.5 | 174.9 | 0 | 0 | 0 | 113.8 | L265 R266 F370 E373 V374 Y377 N381 | L265-L270 PolarHBondContact O-N 2.92Å; L265-L270 VanDerWaalsContact O-N 3.08Å; R266-L270 WeakPolarHBondContact O-CD1 3.42Å; L270-F370 HydrophobicContact CD2-CE2 4.13Å; L270-E373 HydrophobicContact CD2-CG 4.33Å; L270-V374 HydrophobicContact CD2-CG2 3.94Å; L270-Y377 HydrophobicContact CB-CD1 4.3Å; L270-Y377 HydrophobicContact CB-CD2 3.96Å; L270-Y377 HydrophobicContact CB-CE1 4.41Å; L270-Y377 HydrophobicContact CB-CE2 4.12Å; L270-Y377 HydrophobicContact CB-CG 4.07Å; L270-Y377 HydrophobicContact CD1-CD2 4.33Å; L270-Y377 HydrophobicContact CD1-CE2 3.73Å; L270-Y377 HydrophobicContact CD2-CD2 4.29Å; L270-Y377 HydrophobicContact CD2-CE2 4.39Å; L270-Y377 HydrophobicContact CG-CD2 4.42Å; L270-Y377 HydrophobicContact CG-CE2 4.3Å; L270-Y377 WeakPolarHBondContact O-CB 3.49Å; L270-N381 WeakPolarHBondContact O-CB 3.43Å; L270-N381 PolarHBondContact O-ND2 2.88Å |
| 271 | T | 98.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -2.8 | 179.6 | 57 | 0 | 0 | 0 | 0 | 113.4 | G269 E273 Y377 | G269-T271 VanDerWaalsContact C-N 3.28Å; G269-T271 PolarHBondContact O-N 3.47Å; T271-E273 PolarHBondContact O-N 2.88Å; T271-Y377 HydrophobicContact CG2-CD1 3.76Å; T271-Y377 HydrophobicContact CG2-CE1 4.23Å |
| 272 | T | 97.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 55.9 Ų | 55.9 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | trans | -68.2 | 120.5 | -177.4 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | R268 G269 G274 I275 P306 N381 | R268-T272 PolarHBondContact O-OG1 3.22Å; G269-T272 WeakPolarHBondContact CA-OG1 3.21Å; G269-T272 WeakPolarHBondContact O-CB 3.38Å; G269-T272 PolarHBondContact O-N 2.97Å; G269-T272 VanDerWaalsContact O-N 3.12Å; G269-T272 PolarHBondContact O-OG1 3.17Å; T272-G274 PolarHBondContact O-N 3.26Å; T272-I275 WeakPolarHBondContact O-CB 3.22Å; T272-I275 PolarHBondContact O-N 3.22Å; T272-P306 HydrophobicContact CG2-CB 4.21Å; T272-P306 HydrophobicContact CG2-CG 4.47Å; T272-N381 VanDerWaalsContact O-CB 3.26Å; T272-N381 WeakPolarHBondContact O-CB 3.4Å | ||
| 273 | E | 97.1 | Very high | 92.7 | Very high | 132 Ų | 132 | 58.8 Ų | 58.8 | 62% | 0.617 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 127.1 | 178.9 | -169.9 | 179 | 148.5 | 0 | 0 | 112.4 | T271 I275 H307 K382 | T271-E273 PolarHBondContact O-N 2.88Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 2.68Å; E273-H307 PolarHBondContact O-CE1 3.26Å; E273-K382 HydrophobicContact CG-CG 3.95Å |
| 274 | G | 92.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 25.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | T272 R277 R278 N381 | T272-G274 PolarHBondContact O-N 3.26Å; G274-R277 WeakPolarHBondContact O-CA 3.46Å; G274-R277 WeakPolarHBondContact O-CB 3.47Å; G274-R277 PolarHBondContact O-N 2.86Å; G274-R278 PolarHBondContact O-N 3.3Å; G274-N381 PolarHBondContact N-O 3.05Å |
| 275 | I | 97.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 139.1 | 171.8 | -163.4 | 61 | 0 | 0 | 0 | 110.8 | L265 T272 E273 R277 P306 A310 V374 N381 M383 | L265-I275 HydrophobicContact CD2-CD1 3.67Å; L265-I275 HydrophobicContact CD2-CG1 4.1Å; T272-I275 WeakPolarHBondContact O-CB 3.22Å; T272-I275 PolarHBondContact O-N 3.22Å; E273-I275 VanDerWaalsContact C-N 3.32Å; E273-I275 PolarHBondContact O-N 2.68Å; I275-R277 PolarHBondContact O-N 2.76Å; I275-P306 HydrophobicContact CD1-CB 3.9Å; I275-P306 WeakPolarHBondContact CD1-O 3.34Å; I275-A310 HydrophobicContact CD1-CB 3.66Å; I275-A310 HydrophobicContact CG1-CB 4.15Å; I275-V374 HydrophobicContact CG2-CG1 4.07Å; I275-N381 HydrophobicContact CG2-CB 4.13Å; I275-M383 HydrophobicContact CG2-CG 4.01Å; I275-M383 WeakPolarHBondContact O-CE 3.5Å; I275-M383 VanDerWaalsContact O-CG 3.23Å; I275-M383 WeakPolarHBondContact O-CG 3.47Å |
| 276 | F | 96.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -13.4 | -167.5 | -52.3 | -72.9 | 0 | 0 | 0 | 117.3 | L265 A310 L313 K314 F370 L371 V374 L388 V391 F392 | L265-F276 HydrophobicContact CD1-CE1 3.93Å; L265-F276 HydrophobicContact CD1-CZ 3.65Å; F276-A310 HydrophobicContact CD1-CB 3.5Å; F276-A310 VanDerWaalsContact CD1-CB 3.5Å; F276-A310 HydrophobicContact CE1-CB 3.56Å; F276-A310 HydrophobicContact CG-CB 4.11Å; F276-A310 HydrophobicContact CZ-CB 4.22Å; F276-L313 HydrophobicContact CE1-CD2 3.99Å; F276-L313 HydrophobicContact CZ-CD2 4.4Å; F276-K314 HydrophobicContact CB-CD 4.44Å; F276-K314 HydrophobicContact CD1-CD 4.37Å; F276-K314 HydrophobicContact CD1-CG 4.31Å; F276-K314 WeakPolarHBondContact O-CE 3.23Å; F276-K314 PolarHBondContact O-NZ 3.27Å; F276-F370 HydrophobicContact CE2-CE1 4.07Å; F276-F370 HydrophobicContact CE2-CZ 4.36Å; F276-F370 AromaticContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CZ 4.03Å; F276-L371 HydrophobicContact CE2-CD2 4.25Å; F276-L371 HydrophobicContact CZ-CD2 4.48Å; F276-V374 HydrophobicContact CE2-CG1 4.45Å; F276-V374 HydrophobicContact CE2-CG2 4.11Å; F276-L388 HydrophobicContact CB-CD2 4.36Å; F276-L388 HydrophobicContact CD2-CD2 3.7Å; F276-L388 HydrophobicContact CG-CD2 4.34Å; F276-V391 HydrophobicContact CB-CG2 3.85Å; F276-F392 HydrophobicContact CB-CE2 3.96Å; F276-F392 AromaticContact CD1-CE2 3.49Å; F276-F392 HydrophobicContact CD1-CE2 3.49Å; F276-F392 VanDerWaalsContact CD1-CE2 3.49Å; F276-F392 AromaticContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD1-CZ 3.42Å; F276-F392 VanDerWaalsContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD2-CE2 4.01Å; F276-F392 HydrophobicContact CE1-CE2 4.02Å; F276-F392 AromaticContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE2-CE2 4.47Å; F276-F392 AromaticContact CG-CE2 3.52Å; F276-F392 HydrophobicContact CG-CE2 3.52Å; F276-F392 AromaticContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CZ-CE2 4.49Å; F276-F392 HydrophobicContact CZ-CZ 4.27Å |
| 277 | R | 92.5 | Very high | 90.4 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 24% | 0.242 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -39.9 | 177.5 | -179.6 | -177.2 | 175.9 | 169.3 | 5.2 | 112.8 | A18 K20 G274 I275 M383 | A18-R277 PolarHBondContact O-NH2 3.21Å; K20-R277 VanDerWaalsContact CA-NH2 3.27Å; K20-R277 HydrophobicContact CD-CG 4.27Å; K20-R277 PolarHBondContact NZ-O 2.76Å; G274-R277 WeakPolarHBondContact O-CA 3.46Å; G274-R277 WeakPolarHBondContact O-CB 3.47Å; G274-R277 PolarHBondContact O-N 2.86Å; I275-R277 PolarHBondContact O-N 2.76Å; R277-M383 HydrophobicContact CB-CE 4.2Å; R277-M383 HydrophobicContact CB-SD 3.9Å |
| 278 | R | 85.2 | Confident | 90 | Very high | 149 Ų | 149 | 55.2 Ų | 55.2 | 56% | 0.562 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -77.3 | 148.1 | -176.6 | -65.5 | -177.2 | 68.3 | -163.1 | 9.1 | 111.7 | G274 H307 | G274-R278 PolarHBondContact O-N 3.3Å; R278-H307 WeakPolarHBondContact CD-NE2 3.32Å; R278-H307 PolarHBondContact NH1-NE2 2.87Å |
| 279 | S | 80.9 | Confident | 89.7 | Confident | 114 Ų | 114 | 49 Ų | 49 | 80% | 0.797 | 25% | 0.252 | S | S | * | . | trans | -92.1 | 159 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 280 | V | 86 | Confident | 89.1 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | trans | -123.6 | 173 | 175.9 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | L282 L285 H307 L308 V311 | V280-L282 PolarHBondContact O-N 2.97Å; V280-L285 HydrophobicContact CG2-CB 4.34Å; V280-H307 HydrophobicContact CG1-CB 3.56Å; V280-H307 WeakPolarHBondContact CG1-O 3.3Å; V280-L308 HydrophobicContact CG1-CB 4.41Å; V280-L308 HydrophobicContact CG2-CD1 4.15Å; V280-V311 HydrophobicContact CG1-CG2 4.17Å; V280-V311 HydrophobicContact CG2-CB 3.84Å; V280-V311 HydrophobicContact CG2-CG1 3.9Å; V280-V311 HydrophobicContact CG2-CG2 3.99Å | ||
| 281 | S | 87.3 | Confident | 88.4 | Confident | 66 Ų | 66 | 56 Ų | 56 | 46% | 0.462 | 28% | 0.281 | S | S | . | . | trans | -58.2 | 119.1 | 170.4 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | K283 Q284 L285 | S281-K283 PolarHBondContact O-N 2.9Å; S281-K283 PolarHBondContact OG-N 2.79Å; S281-Q284 PolarHBondContact O-N 2.82Å; S281-L285 PolarHBondContact O-N 2.91Å | ||
| 282 | L | 78.5 | Confident | 87.9 | Confident | 89 Ų | 89 | 53 Ų | 53 | 47% | 0.466 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.2 | -34 | 176.3 | -69.8 | 179.2 | 0 | 0 | 0 | 111.5 | V280 L285 R286 | V280-L282 PolarHBondContact O-N 2.97Å; L282-L285 HydrophobicContact CD2-CD2 4.5Å; L282-L285 PolarHBondContact O-N 2.82Å; L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.48Å; L282-R286 PolarHBondContact O-N 2.89Å |
| 283 | K | 81.5 | Confident | 87.4 | Confident | 62 Ų | 62 | 52.2 Ų | 52.2 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -56.5 | 175 | -172.8 | -149.7 | -168.9 | -179.1 | 0 | 110.9 | D170 Q171 S281 L285 R286 D287 | D170-K283 WeakPolarHBondContact O-CG 3.1Å; D170-K283 WeakPolarHBondContact OD2-CE 3.45Å; D170-K283 IonicContact OD2-NZ 2.82Å; D170-K283 PolarHBondContact OD2-NZ 3.16Å; Q171-K283 HydrophobicContact CG-CB 4.34Å; Q171-K283 HydrophobicContact CG-CD 3.74Å; Q171-K283 HydrophobicContact CG-CG 3.99Å; S281-K283 PolarHBondContact O-N 2.9Å; S281-K283 PolarHBondContact OG-N 2.79Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 2.75Å; K283-R286 PolarHBondContact O-N 2.74Å; K283-D287 VanDerWaalsContact O-CG 3.31Å; K283-D287 PolarHBondContact O-N 2.85Å |
| 284 | Q | 84.2 | Confident | 86.7 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.8 | -40.8 | -178.1 | -170.1 | -178 | 29.2 | 0 | 0 | 111.3 | S281 D287 V288 Y303 L308 | S281-Q284 PolarHBondContact O-N 2.82Å; Q284-D287 PolarHBondContact O-N 2.65Å; Q284-V288 VanDerWaalsContact O-CG2 3.22Å; Q284-V288 WeakPolarHBondContact O-CG2 3.21Å; Q284-V288 PolarHBondContact O-N 2.99Å; Q284-V288 VanDerWaalsContact O-N 3.08Å; Q284-Y303 HydrophobicContact CG-CD1 4.2Å; Q284-Y303 HydrophobicContact CG-CE1 4.43Å; Q284-L308 HydrophobicContact CB-CD1 4.48Å; Q284-L308 HydrophobicContact CG-CD1 4.07Å; Q284-L308 HydrophobicContact CG-CD2 3.89Å |
| 285 | L | 87 | Confident | 86.1 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 172.6 | 177 | 66.9 | 0 | 0 | 0 | 111.9 | V280 S281 L282 K283 V288 Q289 L308 V311 L312 | V280-L285 HydrophobicContact CG2-CB 4.34Å; S281-L285 PolarHBondContact O-N 2.91Å; L282-L285 HydrophobicContact CD2-CD2 4.5Å; L282-L285 PolarHBondContact O-N 2.82Å; K283-L285 VanDerWaalsContact C-N 3.26Å; K283-L285 PolarHBondContact O-N 2.75Å; L285-V288 PolarHBondContact O-N 2.64Å; L285-Q289 HydrophobicContact CD1-CG 4.45Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.43Å; L285-Q289 PolarHBondContact O-N 3.44Å; L285-L308 HydrophobicContact CB-CD1 4.36Å; L285-V311 HydrophobicContact CD1-CG1 4.11Å; L285-V311 HydrophobicContact CD2-CG1 3.69Å; L285-V311 HydrophobicContact CG-CG1 4.47Å; L285-L312 HydrophobicContact CD1-CB 4.1Å; L285-L312 HydrophobicContact CD1-CD1 3.85Å |
| 286 | R | 84.1 | Confident | 85.2 | Confident | 69 Ų | 69 | 55.3 Ų | 55.3 | 26% | 0.26 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | -179.9 | -67.9 | -47.9 | 177.3 | -178 | -8.5 | 112.5 | L282 K283 Q289 Y290 E319 | L282-R286 VanDerWaalsContact O-CG 3.29Å; L282-R286 WeakPolarHBondContact O-CG 3.48Å; L282-R286 PolarHBondContact O-N 2.89Å; K283-R286 PolarHBondContact O-N 2.74Å; R286-Q289 PolarHBondContact O-N 3.45Å; R286-Y290 WeakPolarHBondContact O-CB 3.47Å; R286-Y290 PolarHBondContact O-N 3.15Å; R286-E319 IonicContact CZ-OE1 3.77Å; R286-E319 IonicContact NH1-OE1 2.78Å; R286-E319 PolarHBondContact NH1-OE1 3.05Å; R286-E319 IonicContact NH1-OE2 3.8Å; R286-E319 IonicContact NH2-OE1 2.85Å; R286-E319 PolarHBondContact NH2-OE1 3Å; R286-E319 VanDerWaalsContact NH2-OE1 3.12Å |
| 287 | D | 84.1 | Confident | 84.4 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.3 | -66.8 | -21.7 | 0 | 0 | 0 | 110.3 | K283 Q284 Y290 L291 | K283-D287 VanDerWaalsContact O-CG 3.31Å; K283-D287 PolarHBondContact O-N 2.85Å; Q284-D287 PolarHBondContact O-N 2.65Å; D287-Y290 WeakPolarHBondContact O-CB 3.37Å; D287-Y290 PolarHBondContact O-N 2.91Å; D287-L291 WeakPolarHBondContact O-CG 3.4Å; D287-L291 PolarHBondContact O-N 2.82Å; D287-L291 VanDerWaalsContact O-N 3.1Å |
| 288 | V | 86.1 | Confident | 84 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.5 | 176 | 0 | 0 | 0 | 0 | 111.5 | Q284 L285 Y290 L291 Y292 V298 L300 Y303 L308 L312 | Q284-V288 VanDerWaalsContact O-CG2 3.22Å; Q284-V288 WeakPolarHBondContact O-CG2 3.21Å; Q284-V288 PolarHBondContact O-N 2.99Å; Q284-V288 VanDerWaalsContact O-N 3.08Å; L285-V288 PolarHBondContact O-N 2.64Å; V288-Y290 VanDerWaalsContact C-N 3.26Å; V288-Y290 PolarHBondContact O-N 3.46Å; V288-L291 WeakPolarHBondContact O-CB 3.49Å; V288-L291 PolarHBondContact O-N 2.92Å; V288-L291 VanDerWaalsContact O-N 3.17Å; V288-Y292 HydrophobicContact CG1-CD2 3.88Å; V288-Y292 HydrophobicContact CG1-CE2 3.6Å; V288-Y292 VanDerWaalsContact O-CD2 3.28Å; V288-Y292 WeakPolarHBondContact O-CD2 3.45Å; V288-Y292 PolarHBondContact O-N 2.78Å; V288-Y292 VanDerWaalsContact O-N 3.15Å; V288-V298 HydrophobicContact CG1-CG1 4.18Å; V288-L300 HydrophobicContact CG1-CD2 4.26Å; V288-Y303 HydrophobicContact CG2-CD1 4.31Å; V288-Y303 HydrophobicContact CG2-CE1 3.63Å; V288-Y303 HydrophobicContact CG2-CE2 4Å; V288-Y303 VanDerWaalsContact CG2-CZ 3.45Å; V288-L308 HydrophobicContact CG2-CD1 4.41Å; V288-L308 HydrophobicContact CG2-CD2 4.04Å; V288-L312 HydrophobicContact CG1-CD1 3.98Å; V288-L312 HydrophobicContact CG1-CD2 3.81Å |
| 289 | Q | 90.1 | Very high | 84.1 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 2% | 0.023 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | 176.6 | -71.5 | -175.2 | -44.4 | 0 | 0 | 112.5 | F238 L285 R286 Y292 N293 L312 S315 E319 | F238-Q289 HydrophobicContact CD1-CG 4.21Å; F238-Q289 HydrophobicContact CD2-CB 4.01Å; F238-Q289 HydrophobicContact CD2-CG 4.03Å; F238-Q289 HydrophobicContact CE1-CG 3.88Å; F238-Q289 HydrophobicContact CE2-CB 3.96Å; F238-Q289 HydrophobicContact CE2-CG 3.71Å; F238-Q289 HydrophobicContact CG-CG 4.29Å; F238-Q289 HydrophobicContact CZ-CB 4.4Å; F238-Q289 HydrophobicContact CZ-CG 3.64Å; L285-Q289 HydrophobicContact CD1-CG 4.45Å; L285-Q289 VanDerWaalsContact O-CG 3.29Å; L285-Q289 WeakPolarHBondContact O-CG 3.43Å; L285-Q289 PolarHBondContact O-N 3.44Å; R286-Q289 PolarHBondContact O-N 3.45Å; Q289-Y292 PolarHBondContact O-N 2.91Å; Q289-N293 WeakPolarHBondContact O-CB 3.29Å; Q289-N293 VanDerWaalsContact O-CG 3.24Å; Q289-N293 PolarHBondContact O-N 3.14Å; Q289-N293 PolarHBondContact O-ND2 3.39Å; Q289-N293 VanDerWaalsContact O-ND2 3.15Å; Q289-L312 HydrophobicContact CG-CD1 3.71Å; Q289-S315 PolarHBondContact NE2-OG 2.64Å; Q289-E319 PolarHBondContact NE2-OE2 3.29Å |
| 290 | Y | 84.3 | Confident | 84.5 | Confident | 109 Ų | 109 | 50 Ų | 50 | 43% | 0.427 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.8 | 177.5 | -91.8 | 0 | 0 | 0 | 110.6 | R286 D287 V288 Y292 N293 N294 | R286-Y290 WeakPolarHBondContact O-CB 3.47Å; R286-Y290 PolarHBondContact O-N 3.15Å; D287-Y290 WeakPolarHBondContact O-CB 3.37Å; D287-Y290 PolarHBondContact O-N 2.91Å; V288-Y290 VanDerWaalsContact C-N 3.26Å; V288-Y290 PolarHBondContact O-N 3.46Å; Y290-Y292 PolarHBondContact O-N 2.89Å; Y290-N293 PolarHBondContact O-N 3.12Å; Y290-N294 WeakPolarHBondContact CD1-ND2 3.45Å; Y290-N294 WeakPolarHBondContact CD2-ND2 3.37Å; Y290-N294 WeakPolarHBondContact CE1-ND2 3.32Å; Y290-N294 WeakPolarHBondContact CE2-ND2 3.31Å; Y290-N294 PolarHBondContact O-N 3.13Å; Y290-N294 VanDerWaalsContact O-N 3.11Å; Y290-N294 PolarHBondContact O-ND2 3.05Å |
| 291 | L | 85.2 | Confident | 84.7 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.9 | -50.5 | 176.7 | -64.9 | 175.7 | 0 | 0 | 0 | 111.8 | D287 V288 N293 N294 G295 E296 V298 Y303 | D287-L291 WeakPolarHBondContact O-CG 3.4Å; D287-L291 PolarHBondContact O-N 2.82Å; D287-L291 VanDerWaalsContact O-N 3.1Å; V288-L291 WeakPolarHBondContact O-CB 3.49Å; V288-L291 PolarHBondContact O-N 2.92Å; V288-L291 VanDerWaalsContact O-N 3.17Å; L291-N293 VanDerWaalsContact C-N 3.34Å; L291-N293 PolarHBondContact O-N 3.13Å; L291-N294 CarbonylContact O-C 3.55Å; L291-N294 PolarHBondContact O-N 3.46Å; L291-N294 VanDerWaalsContact O-N 3.16Å; L291-G295 PolarHBondContact O-N 3.35Å; L291-E296 HydrophobicContact CB-CB 4.07Å; L291-E296 HydrophobicContact CD2-CB 4.09Å; L291-E296 HydrophobicContact CD2-CG 4.08Å; L291-E296 WeakPolarHBondContact O-CB 3.46Å; L291-E296 PolarHBondContact O-N 3.3Å; L291-V298 HydrophobicContact CB-CG2 3.5Å; L291-V298 HydrophobicContact CD1-CG2 4.17Å; L291-V298 HydrophobicContact CG-CG2 4.49Å; L291-Y303 WeakPolarHBondContact CD1-OH 3.37Å |
| 292 | Y | 87.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 176.8 | -79.7 | -71.5 | 0 | 0 | 0 | 113.1 | F238 I256 V257 D260 V288 Q289 Y290 N294 G295 V298 L312 | F238-Y292 HydrophobicContact CE2-CD2 4.41Å; F238-Y292 HydrophobicContact CE2-CG 4.47Å; I256-Y292 HydrophobicContact CG2-CD1 4.29Å; I256-Y292 HydrophobicContact CG2-CE1 4.48Å; V257-Y292 HydrophobicContact CB-CD1 3.87Å; V257-Y292 HydrophobicContact CB-CD2 4.42Å; V257-Y292 HydrophobicContact CB-CE1 3.85Å; V257-Y292 HydrophobicContact CB-CE2 4.43Å; V257-Y292 HydrophobicContact CB-CG 4.15Å; V257-Y292 HydrophobicContact CG2-CD1 4.07Å; V257-Y292 HydrophobicContact CG2-CD2 3.72Å; V257-Y292 HydrophobicContact CG2-CE1 3.97Å; V257-Y292 HydrophobicContact CG2-CE2 3.65Å; V257-Y292 HydrophobicContact CG2-CG 3.95Å; D260-Y292 WeakPolarHBondContact CB-OH 3.49Å; D260-Y292 WeakPolarHBondContact OD2-CE1 3.37Å; D260-Y292 PolarHBondContact OD2-OH 3.12Å; V288-Y292 HydrophobicContact CG1-CD2 3.88Å; V288-Y292 HydrophobicContact CG1-CE2 3.6Å; V288-Y292 VanDerWaalsContact O-CD2 3.28Å; V288-Y292 WeakPolarHBondContact O-CD2 3.45Å; V288-Y292 PolarHBondContact O-N 2.78Å; V288-Y292 VanDerWaalsContact O-N 3.15Å; Q289-Y292 PolarHBondContact O-N 2.91Å; Y290-Y292 PolarHBondContact O-N 2.89Å; Y292-N294 PolarHBondContact O-N 3.38Å; Y292-G295 PolarHBondContact O-N 2.68Å; Y292-G295 VanDerWaalsContact O-N 3.09Å; Y292-V298 HydrophobicContact CD1-CG2 4.27Å; Y292-V298 HydrophobicContact CD2-CB 4.45Å; Y292-V298 HydrophobicContact CD2-CG2 3.97Å; Y292-V298 HydrophobicContact CE1-CB 4.03Å; Y292-V298 HydrophobicContact CE1-CG2 4.18Å; Y292-V298 HydrophobicContact CE2-CB 3.82Å; Y292-V298 HydrophobicContact CE2-CG1 3.69Å; Y292-V298 HydrophobicContact CE2-CG2 3.84Å; Y292-V298 HydrophobicContact CG-CG2 4.17Å; Y292-L312 HydrophobicContact CD2-CD2 4.39Å; Y292-L312 HydrophobicContact CE2-CD2 3.68Å |
| 293 | N | 86.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -23.1 | -179.4 | -74.5 | -28.4 | 0 | 0 | 0 | 113.8 | Q235 Q236 Q237 F238 Q289 Y290 L291 G295 | Q235-N293 CarbonylContact C-O 3.58Å; Q236-N293 VanDerWaalsContact CD-CG 3.47Å; Q236-N293 PolarHBondContact NE2-ND2 3.02Å; Q236-N293 VanDerWaalsContact NE2-ND2 3.19Å; Q236-N293 PolarHBondContact NE2-OD1 3.17Å; Q236-N293 VanDerWaalsContact NE2-OD1 3.14Å; Q237-N293 PolarHBondContact N-OD1 3.15Å; F238-N293 PolarHBondContact N-OD1 2.79Å; Q289-N293 WeakPolarHBondContact O-CB 3.29Å; Q289-N293 VanDerWaalsContact O-CG 3.24Å; Q289-N293 PolarHBondContact O-N 3.14Å; Q289-N293 PolarHBondContact O-ND2 3.39Å; Q289-N293 VanDerWaalsContact O-ND2 3.15Å; Y290-N293 PolarHBondContact O-N 3.12Å; L291-N293 VanDerWaalsContact C-N 3.34Å; L291-N293 PolarHBondContact O-N 3.13Å; N293-G295 VanDerWaalsContact C-N 3.35Å |
| 294 | N | 82.8 | Confident | 85.8 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 29% | 0.289 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 14.6 | 173.9 | -63.3 | -77 | 0 | 0 | 0 | 112.2 | Q235 Y290 L291 Y292 E296 | Q235-N294 PolarHBondContact OE1-O 3.38Å; Y290-N294 WeakPolarHBondContact CD1-ND2 3.45Å; Y290-N294 WeakPolarHBondContact CD2-ND2 3.37Å; Y290-N294 WeakPolarHBondContact CE1-ND2 3.32Å; Y290-N294 WeakPolarHBondContact CE2-ND2 3.31Å; Y290-N294 PolarHBondContact O-N 3.13Å; Y290-N294 VanDerWaalsContact O-N 3.11Å; Y290-N294 PolarHBondContact O-ND2 3.05Å; L291-N294 CarbonylContact O-C 3.55Å; L291-N294 PolarHBondContact O-N 3.46Å; L291-N294 VanDerWaalsContact O-N 3.16Å; Y292-N294 PolarHBondContact O-N 3.38Å; N294-E296 HydrophobicContact CB-CG 4.2Å; N294-E296 PolarHBondContact O-N 3.04Å; N294-E296 VanDerWaalsContact O-N 3.08Å |
| 295 | G | 78.6 | Confident | 86.4 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 20.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L291 Y292 N293 | L291-G295 PolarHBondContact O-N 3.35Å; Y292-G295 PolarHBondContact O-N 2.68Å; Y292-G295 VanDerWaalsContact O-N 3.09Å; N293-G295 VanDerWaalsContact C-N 3.35Å |
| 296 | E | 80.2 | Confident | 86.9 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 52% | 0.523 | 31% | 0.307 | S | S | . | . | trans | -70.3 | 149.5 | 175.2 | -62.4 | -70 | 178.6 | 0 | 0 | 109.6 | L291 N294 V298 | L291-E296 HydrophobicContact CB-CB 4.07Å; L291-E296 HydrophobicContact CD2-CB 4.09Å; L291-E296 HydrophobicContact CD2-CG 4.08Å; L291-E296 WeakPolarHBondContact O-CB 3.46Å; L291-E296 PolarHBondContact O-N 3.3Å; N294-E296 HydrophobicContact CB-CG 4.2Å; N294-E296 PolarHBondContact O-N 3.04Å; N294-E296 VanDerWaalsContact O-N 3.08Å; E296-V298 PolarHBondContact O-N 3.22Å | ||
| 297 | T | 79.8 | Confident | 87.5 | Confident | 138 Ų | 138 | 58 Ų | 58 | 85% | 0.847 | 30% | 0.298 | S | S | * | . | trans | -72.2 | 122.8 | 173.8 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 298 | V | 83.1 | Confident | 88.1 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | trans | -112.6 | 121.6 | 178.1 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | V288 L291 Y292 E296 L300 Y303 | V288-V298 HydrophobicContact CG1-CG1 4.18Å; L291-V298 HydrophobicContact CB-CG2 3.5Å; L291-V298 HydrophobicContact CD1-CG2 4.17Å; L291-V298 HydrophobicContact CG-CG2 4.49Å; Y292-V298 HydrophobicContact CD1-CG2 4.27Å; Y292-V298 HydrophobicContact CD2-CB 4.45Å; Y292-V298 HydrophobicContact CD2-CG2 3.97Å; Y292-V298 HydrophobicContact CE1-CB 4.03Å; Y292-V298 HydrophobicContact CE1-CG2 4.18Å; Y292-V298 HydrophobicContact CE2-CB 3.82Å; Y292-V298 HydrophobicContact CE2-CG1 3.69Å; Y292-V298 HydrophobicContact CE2-CG2 3.84Å; Y292-V298 HydrophobicContact CG-CG2 4.17Å; E296-V298 PolarHBondContact O-N 3.22Å; V298-L300 HydrophobicContact CG1-CD2 4.09Å; V298-L300 HydrophobicContact CG1-CG 4.46Å; V298-Y303 HydrophobicContact CG1-CE2 4.27Å | ||
| 299 | D | 87 | Confident | 88.6 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | trans | -105.2 | 109.7 | 166.8 | -167.7 | -17.9 | 0 | 0 | 0 | 109.4 | R301 D302 | D299-R301 VanDerWaalsContact CG-NE 3.34Å; D299-R301 PolarHBondContact O-N 3.45Å; D299-R301 VanDerWaalsContact O-N 3.15Å; D299-R301 WeakPolarHBondContact OD1-CB 3.49Å; D299-R301 WeakPolarHBondContact OD1-CG 3.42Å; D299-R301 IonicContact OD1-CZ 3.22Å; D299-R301 PolarHBondContact OD1-N 3.12Å; D299-R301 IonicContact OD1-NE 3.04Å; D299-R301 PolarHBondContact OD1-NE 3.14Å; D299-R301 IonicContact OD1-NH2 2.67Å; D299-R301 IonicContact OD2-CZ 2.68Å; D299-R301 VanDerWaalsContact OD2-CZ 3.22Å; D299-R301 IonicContact OD2-NE 2.83Å; D299-R301 PolarHBondContact OD2-NE 2.84Å; D299-R301 IonicContact OD2-NH2 3.58Å; D299-R301 PolarHBondContact OD2-NH2 3.35Å; D299-D302 WeakPolarHBondContact O-CB 3.45Å; D299-D302 PolarHBondContact O-N 3.32Å; D299-D302 VanDerWaalsContact O-N 3.11Å | ||
| 300 | L | 89.2 | Confident | 89 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -65.2 | -17.4 | -179.7 | -67.4 | 174.1 | 0 | 0 | 0 | 112.8 | D260 A261 Y264 V288 V298 D302 Y303 A309 L312 | D260-L300 HydrophobicContact CB-CD1 4.36Å; A261-L300 HydrophobicContact CB-CD1 4.17Å; Y264-L300 HydrophobicContact CD1-CB 3.93Å; Y264-L300 HydrophobicContact CD1-CD1 4.5Å; Y264-L300 HydrophobicContact CD2-CB 4.09Å; Y264-L300 HydrophobicContact CE1-CB 4.43Å; Y264-L300 HydrophobicContact CG-CB 3.72Å; V288-L300 HydrophobicContact CG1-CD2 4.26Å; V298-L300 HydrophobicContact CG1-CD2 4.09Å; V298-L300 HydrophobicContact CG1-CG 4.46Å; L300-D302 VanDerWaalsContact C-N 3.25Å; L300-D302 PolarHBondContact O-N 3.07Å; L300-Y303 HydrophobicContact CD2-CD2 4.5Å; L300-Y303 PolarHBondContact O-N 3.3Å; L300-A309 HydrophobicContact CD1-CB 3.94Å; L300-L312 HydrophobicContact CD1-CD2 4.47Å; L300-L312 HydrophobicContact CD2-CD2 4.11Å |
| 301 | R | 90.4 | Very high | 89.4 | Confident | 153 Ų | 153 | 50.3 Ų | 50.3 | 58% | 0.577 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -67.9 | -25.4 | 174.8 | -61 | 170.7 | -70.5 | -169.2 | -1 | 112.5 | Y264 D299 Y303 D304 | Y264-R301 HydrophobicContact CD2-CG 3.72Å; Y264-R301 HydrophobicContact CE2-CB 4.37Å; Y264-R301 HydrophobicContact CE2-CG 3.88Å; D299-R301 VanDerWaalsContact CG-NE 3.34Å; D299-R301 PolarHBondContact O-N 3.45Å; D299-R301 VanDerWaalsContact O-N 3.15Å; D299-R301 WeakPolarHBondContact OD1-CB 3.49Å; D299-R301 WeakPolarHBondContact OD1-CG 3.42Å; D299-R301 IonicContact OD1-CZ 3.22Å; D299-R301 PolarHBondContact OD1-N 3.12Å; D299-R301 IonicContact OD1-NE 3.04Å; D299-R301 PolarHBondContact OD1-NE 3.14Å; D299-R301 IonicContact OD1-NH2 2.67Å; D299-R301 IonicContact OD2-CZ 2.68Å; D299-R301 VanDerWaalsContact OD2-CZ 3.22Å; D299-R301 IonicContact OD2-NE 2.83Å; D299-R301 PolarHBondContact OD2-NE 2.84Å; D299-R301 IonicContact OD2-NH2 3.58Å; D299-R301 PolarHBondContact OD2-NH2 3.35Å; R301-Y303 PolarHBondContact O-N 3.47Å; R301-D304 PolarHBondContact O-N 3.33Å |
| 302 | D | 88.5 | Confident | 89.9 | Confident | 133 Ų | 133 | 47.8 Ų | 47.8 | 71% | 0.711 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -67.7 | -22.1 | 178 | -68.6 | -19.1 | 0 | 0 | 0 | 112.6 | D299 L300 | D299-D302 WeakPolarHBondContact O-CB 3.45Å; D299-D302 PolarHBondContact O-N 3.32Å; D299-D302 VanDerWaalsContact O-N 3.11Å; L300-D302 VanDerWaalsContact C-N 3.25Å; L300-D302 PolarHBondContact O-N 3.07Å |
| 303 | Y | 91.3 | Very high | 90.3 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -90.3 | -21.9 | 178.5 | -60.5 | -90.4 | 0 | 0 | 0 | 113 | Q284 V288 L291 V298 L300 R301 D305 L308 | Q284-Y303 HydrophobicContact CG-CD1 4.2Å; Q284-Y303 HydrophobicContact CG-CE1 4.43Å; V288-Y303 HydrophobicContact CG2-CD1 4.31Å; V288-Y303 HydrophobicContact CG2-CE1 3.63Å; V288-Y303 HydrophobicContact CG2-CE2 4Å; V288-Y303 VanDerWaalsContact CG2-CZ 3.45Å; L291-Y303 WeakPolarHBondContact CD1-OH 3.37Å; V298-Y303 HydrophobicContact CG1-CE2 4.27Å; L300-Y303 HydrophobicContact CD2-CD2 4.5Å; L300-Y303 PolarHBondContact O-N 3.3Å; R301-Y303 PolarHBondContact O-N 3.47Å; Y303-D305 PolarHBondContact O-N 2.81Å; Y303-D305 VanDerWaalsContact O-N 3.13Å; Y303-L308 HydrophobicContact CD1-CD2 3.64Å; Y303-L308 HydrophobicContact CD2-CD2 4.27Å; Y303-L308 HydrophobicContact CE1-CD2 4.38Å; Y303-L308 HydrophobicContact CG-CD2 3.57Å |
| 304 | D | 92 | Very high | 90.7 | Very high | 113 Ų | 113 | 48.1 Ų | 48.1 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 38.2 | -176.5 | -158.1 | 33.3 | 0 | 0 | 0 | 114.3 | Y264 R301 | Y264-D304 WeakPolarHBondContact OH-CA 3.33Å; R301-D304 PolarHBondContact O-N 3.33Å |
| 305 | D | 95.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | trans | -129.9 | 99.2 | 179.6 | -175.8 | 1.8 | 0 | 0 | 0 | 111.7 | Y264 Y303 H307 L308 | Y264-D305 PolarHBondContact OH-N 3.4Å; Y264-D305 VanDerWaalsContact OH-N 3.09Å; Y303-D305 PolarHBondContact O-N 2.81Å; Y303-D305 VanDerWaalsContact O-N 3.13Å; D305-H307 PolarHBondContact O-N 2.98Å; D305-H307 WeakPolarHBondContact OD1-CA 3.46Å; D305-H307 VanDerWaalsContact OD1-CB 3.3Å; D305-H307 WeakPolarHBondContact OD1-CB 3.42Å; D305-H307 IonicContact OD1-CD2 3.64Å; D305-H307 IonicContact OD1-CG 3.6Å; D305-H307 PolarHBondContact OD1-N 2.86Å; D305-L308 HydrophobicContact CB-CB 3.94Å; D305-L308 WeakPolarHBondContact O-CB 3.2Å; D305-L308 PolarHBondContact O-N 3.41Å; D305-L308 PolarHBondContact OD1-N 3.31Å | ||
| 306 | P | 97.6 | Very high | 91.8 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.1 | -31.6 | 173.1 | -27.4 | 36.3 | 0 | 0 | 0 | 114 | L265 R268 T272 I275 L308 A309 A310 | L265-P306 HydrophobicContact CD2-CB 4.36Å; L265-P306 VanDerWaalsContact CD2-O 3.31Å; L265-P306 WeakPolarHBondContact CD2-O 3.06Å; R268-P306 HydrophobicContact CB-CG 4.25Å; T272-P306 HydrophobicContact CG2-CB 4.21Å; T272-P306 HydrophobicContact CG2-CG 4.47Å; I275-P306 HydrophobicContact CD1-CB 3.9Å; I275-P306 WeakPolarHBondContact CD1-O 3.34Å; P306-L308 VanDerWaalsContact C-N 3.3Å; P306-L308 PolarHBondContact O-N 3Å; P306-A309 PolarHBondContact O-N 3.04Å; P306-A310 WeakPolarHBondContact O-CB 3.19Å; P306-A310 PolarHBondContact O-N 3.35Å |
| 307 | H | 97.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.5 | -30.4 | 178.6 | -59.8 | -53.2 | 0 | 0 | 0 | 111.8 | E273 R278 V280 D305 A310 V311 | E273-H307 PolarHBondContact O-CE1 3.26Å; R278-H307 WeakPolarHBondContact CD-NE2 3.32Å; R278-H307 PolarHBondContact NH1-NE2 2.87Å; V280-H307 HydrophobicContact CG1-CB 3.56Å; V280-H307 WeakPolarHBondContact CG1-O 3.3Å; D305-H307 PolarHBondContact O-N 2.98Å; D305-H307 WeakPolarHBondContact OD1-CA 3.46Å; D305-H307 VanDerWaalsContact OD1-CB 3.3Å; D305-H307 WeakPolarHBondContact OD1-CB 3.42Å; D305-H307 IonicContact OD1-CD2 3.64Å; D305-H307 IonicContact OD1-CG 3.6Å; D305-H307 PolarHBondContact OD1-N 2.86Å; H307-A310 PolarHBondContact O-N 2.9Å; H307-V311 WeakPolarHBondContact O-CB 3.46Å; H307-V311 VanDerWaalsContact O-CG2 3.31Å; H307-V311 WeakPolarHBondContact O-CG2 3.04Å; H307-V311 PolarHBondContact O-N 3.14Å |
| 308 | L | 95.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -49.5 | 176.5 | 176.9 | 63.3 | 0 | 0 | 0 | 110.6 | V280 Q284 L285 V288 Y303 D305 P306 A310 V311 L312 | V280-L308 HydrophobicContact CG1-CB 4.41Å; V280-L308 HydrophobicContact CG2-CD1 4.15Å; Q284-L308 HydrophobicContact CB-CD1 4.48Å; Q284-L308 HydrophobicContact CG-CD1 4.07Å; Q284-L308 HydrophobicContact CG-CD2 3.89Å; L285-L308 HydrophobicContact CB-CD1 4.36Å; V288-L308 HydrophobicContact CG2-CD1 4.41Å; V288-L308 HydrophobicContact CG2-CD2 4.04Å; Y303-L308 HydrophobicContact CD1-CD2 3.64Å; Y303-L308 HydrophobicContact CD2-CD2 4.27Å; Y303-L308 HydrophobicContact CE1-CD2 4.38Å; Y303-L308 HydrophobicContact CG-CD2 3.57Å; D305-L308 HydrophobicContact CB-CB 3.94Å; D305-L308 WeakPolarHBondContact O-CB 3.2Å; D305-L308 PolarHBondContact O-N 3.41Å; D305-L308 PolarHBondContact OD1-N 3.31Å; P306-L308 VanDerWaalsContact C-N 3.3Å; P306-L308 PolarHBondContact O-N 3Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.47Å; L308-V311 PolarHBondContact O-N 3.06Å; L308-L312 VanDerWaalsContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CB 3.19Å; L308-L312 PolarHBondContact O-N 3.19Å |
| 309 | A | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y264 L265 L300 P306 V311 L312 L313 | Y264-A309 HydrophobicContact CD1-CB 3.48Å; Y264-A309 VanDerWaalsContact CD1-CB 3.48Å; Y264-A309 HydrophobicContact CE1-CB 3.99Å; L265-A309 HydrophobicContact CD1-CB 4.23Å; L265-A309 HydrophobicContact CD2-CB 4.06Å; L265-A309 HydrophobicContact CG-CB 3.93Å; L300-A309 HydrophobicContact CD1-CB 3.94Å; P306-A309 PolarHBondContact O-N 3.04Å; A309-V311 PolarHBondContact O-N 3.35Å; A309-L312 WeakPolarHBondContact O-CB 2.84Å; A309-L312 PolarHBondContact O-N 3.15Å; A309-L313 WeakPolarHBondContact O-CB 3.31Å; A309-L313 PolarHBondContact O-N 3.39Å |
| 310 | A | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L265 I275 F276 P306 H307 L308 K314 | L265-A310 HydrophobicContact CD1-CB 4.4Å; L265-A310 HydrophobicContact CD2-CB 4.22Å; I275-A310 HydrophobicContact CD1-CB 3.66Å; I275-A310 HydrophobicContact CG1-CB 4.15Å; F276-A310 HydrophobicContact CD1-CB 3.5Å; F276-A310 VanDerWaalsContact CD1-CB 3.5Å; F276-A310 HydrophobicContact CE1-CB 3.56Å; F276-A310 HydrophobicContact CG-CB 4.11Å; F276-A310 HydrophobicContact CZ-CB 4.22Å; P306-A310 WeakPolarHBondContact O-CB 3.19Å; P306-A310 PolarHBondContact O-N 3.35Å; H307-A310 PolarHBondContact O-N 2.9Å; L308-A310 VanDerWaalsContact C-N 3.33Å; L308-A310 PolarHBondContact O-N 3.47Å; A310-K314 WeakPolarHBondContact O-CG 3.38Å; A310-K314 PolarHBondContact O-N 3.15Å |
| 311 | V | 93.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.4 | -38.4 | 175.7 | 174 | 0 | 0 | 0 | 0 | 111 | V280 L285 H307 L308 A309 K314 S315 | V280-V311 HydrophobicContact CG1-CG2 4.17Å; V280-V311 HydrophobicContact CG2-CB 3.84Å; V280-V311 HydrophobicContact CG2-CG1 3.9Å; V280-V311 HydrophobicContact CG2-CG2 3.99Å; L285-V311 HydrophobicContact CD1-CG1 4.11Å; L285-V311 HydrophobicContact CD2-CG1 3.69Å; L285-V311 HydrophobicContact CG-CG1 4.47Å; H307-V311 WeakPolarHBondContact O-CB 3.46Å; H307-V311 VanDerWaalsContact O-CG2 3.31Å; H307-V311 WeakPolarHBondContact O-CG2 3.04Å; H307-V311 PolarHBondContact O-N 3.14Å; L308-V311 PolarHBondContact O-N 3.06Å; A309-V311 PolarHBondContact O-N 3.35Å; V311-K314 PolarHBondContact O-N 2.72Å; V311-S315 VanDerWaalsContact O-CB 3.26Å; V311-S315 WeakPolarHBondContact O-CB 3.46Å; V311-S315 PolarHBondContact O-N 3.1Å |
| 312 | L | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -48.4 | 175.3 | -174 | 70.8 | 0 | 0 | 0 | 111.4 | F238 V257 L285 V288 Q289 Y292 L300 L308 A309 K314 S315 F316 | F238-L312 HydrophobicContact CE1-CD1 4.25Å; F238-L312 HydrophobicContact CE2-CD1 4.35Å; F238-L312 HydrophobicContact CZ-CD1 3.55Å; F238-L312 HydrophobicContact CZ-CG 4.22Å; V257-L312 HydrophobicContact CG2-CD1 4.36Å; V257-L312 HydrophobicContact CG2-CD2 3.74Å; V257-L312 HydrophobicContact CG2-CG 3.92Å; L285-L312 HydrophobicContact CD1-CB 4.1Å; L285-L312 HydrophobicContact CD1-CD1 3.85Å; V288-L312 HydrophobicContact CG1-CD1 3.98Å; V288-L312 HydrophobicContact CG1-CD2 3.81Å; Q289-L312 HydrophobicContact CG-CD1 3.71Å; Y292-L312 HydrophobicContact CD2-CD2 4.39Å; Y292-L312 HydrophobicContact CE2-CD2 3.68Å; L300-L312 HydrophobicContact CD1-CD2 4.47Å; L300-L312 HydrophobicContact CD2-CD2 4.11Å; L308-L312 VanDerWaalsContact O-CB 3.26Å; L308-L312 WeakPolarHBondContact O-CB 3.19Å; L308-L312 PolarHBondContact O-N 3.19Å; A309-L312 WeakPolarHBondContact O-CB 2.84Å; A309-L312 PolarHBondContact O-N 3.15Å; L312-K314 PolarHBondContact O-N 2.86Å; L312-S315 WeakPolarHBondContact O-CB 3.05Å; L312-S315 PolarHBondContact O-N 3.33Å; L312-S315 VanDerWaalsContact O-N 3.13Å; L312-F316 PolarHBondContact O-N 3.35Å |
| 313 | L | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.9 | -47.9 | 177.7 | -172 | 67.2 | 0 | 0 | 0 | 112 | F258 A261 I262 L265 F276 A309 S315 F316 L317 L367 F370 F392 | F258-L313 HydrophobicContact CD1-CD1 4.1Å; F258-L313 HydrophobicContact CD2-CD1 3.34Å; F258-L313 HydrophobicContact CE1-CD1 4.11Å; F258-L313 HydrophobicContact CE2-CD1 3.35Å; F258-L313 HydrophobicContact CE2-CG 4.22Å; F258-L313 HydrophobicContact CG-CD1 3.73Å; F258-L313 HydrophobicContact CZ-CD1 3.76Å; A261-L313 HydrophobicContact CB-CB 4.22Å; A261-L313 HydrophobicContact CB-CD1 4.25Å; I262-L313 HydrophobicContact CD1-CD1 4.33Å; I262-L313 HydrophobicContact CD1-CD2 4.29Å; I262-L313 HydrophobicContact CG1-CD1 4.2Å; I262-L313 HydrophobicContact CG1-CD2 3.89Å; L265-L313 HydrophobicContact CD1-CD2 4.48Å; F276-L313 HydrophobicContact CE1-CD2 3.99Å; F276-L313 HydrophobicContact CZ-CD2 4.4Å; A309-L313 WeakPolarHBondContact O-CB 3.31Å; A309-L313 PolarHBondContact O-N 3.39Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-S315 PolarHBondContact O-N 3.47Å; L313-F316 WeakPolarHBondContact O-CB 3.21Å; L313-F316 PolarHBondContact O-N 2.82Å; L313-L317 PolarHBondContact O-N 3.07Å; L313-L367 HydrophobicContact CD2-CD1 3.97Å; L313-F370 HydrophobicContact CD2-CE1 4.43Å; L313-F392 HydrophobicContact CD2-CZ 4.43Å |
| 314 | K | 95.5 | Very high | 93.1 | Very high | 28 Ų | 28 | 25 Ų | 25 | 12% | 0.122 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -36 | 175.4 | -68.6 | -175.2 | -60.4 | 168.6 | 0 | 112.3 | F276 A310 V311 L312 R318 F392 | F276-K314 HydrophobicContact CB-CD 4.44Å; F276-K314 HydrophobicContact CD1-CD 4.37Å; F276-K314 HydrophobicContact CD1-CG 4.31Å; F276-K314 WeakPolarHBondContact O-CE 3.23Å; F276-K314 PolarHBondContact O-NZ 3.27Å; A310-K314 WeakPolarHBondContact O-CG 3.38Å; A310-K314 PolarHBondContact O-N 3.15Å; V311-K314 PolarHBondContact O-N 2.72Å; L312-K314 PolarHBondContact O-N 2.86Å; K314-R318 WeakPolarHBondContact O-CB 3.39Å; K314-R318 PolarHBondContact O-N 3.27Å; K314-R318 VanDerWaalsContact O-N 3.09Å; K314-R318 PolarHBondContact O-NH1 3.41Å; K314-F392 HydrophobicContact CG-CD1 4.32Å; K314-F392 HydrophobicContact CG-CE1 3.83Å; K314-F392 HydrophobicContact CG-CE2 4.44Å; K314-F392 HydrophobicContact CG-CZ 3.89Å |
| 315 | S | 89.2 | Confident | 93.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 178.3 | -154.8 | 0 | 0 | 0 | 0 | 111 | Q289 V311 L312 L313 R318 E319 | Q289-S315 PolarHBondContact NE2-OG 2.64Å; V311-S315 VanDerWaalsContact O-CB 3.26Å; V311-S315 WeakPolarHBondContact O-CB 3.46Å; V311-S315 PolarHBondContact O-N 3.1Å; L312-S315 WeakPolarHBondContact O-CB 3.05Å; L312-S315 PolarHBondContact O-N 3.33Å; L312-S315 VanDerWaalsContact O-N 3.13Å; L313-S315 VanDerWaalsContact C-N 3.32Å; L313-S315 PolarHBondContact O-N 3.47Å; S315-R318 PolarHBondContact O-N 3.5Å; S315-R318 PolarHBondContact OG-NH2 3.18Å; S315-E319 WeakPolarHBondContact O-CB 3.4Å; S315-E319 VanDerWaalsContact O-CG 3.23Å; S315-E319 WeakPolarHBondContact O-CG 3.1Å; S315-E319 PolarHBondContact O-N 2.98Å; S315-E319 PolarHBondContact OG-OE1 3.07Å |
| 316 | F | 94.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -55.8 | -53.8 | 174.9 | 175.9 | -94 | 0 | 0 | 0 | 111 | Q237 F238 L242 I245 P255 V257 F258 L312 L313 R318 E319 L320 | Q237-F316 VanDerWaalsContact O-CE2 3.28Å; Q237-F316 WeakPolarHBondContact O-CE2 3.26Å; F238-F316 HydrophobicContact CD1-CB 4.36Å; F238-F316 HydrophobicContact CD1-CD2 4.3Å; F238-F316 VanDerWaalsContact CE1-CA 3.5Å; F238-F316 HydrophobicContact CE1-CB 3.7Å; F238-F316 HydrophobicContact CE1-CD2 4.11Å; F238-F316 HydrophobicContact CE1-CG 4.43Å; F238-F316 HydrophobicContact CZ-CB 4.34Å; F238-F316 HydrophobicContact CZ-CD2 4.44Å; L242-F316 HydrophobicContact CD2-CE1 4.29Å; L242-F316 HydrophobicContact CD2-CZ 4.15Å; I245-F316 HydrophobicContact CD1-CE2 3.68Å; I245-F316 HydrophobicContact CD1-CZ 3.64Å; P255-F316 HydrophobicContact CB-CE1 4.44Å; P255-F316 HydrophobicContact CB-CE2 4.06Å; P255-F316 HydrophobicContact CB-CZ 3.76Å; P255-F316 HydrophobicContact CG-CE1 3.92Å; P255-F316 HydrophobicContact CG-CE2 4.19Å; P255-F316 HydrophobicContact CG-CZ 3.4Å; P255-F316 VanDerWaalsContact CG-CZ 3.4Å; V257-F316 HydrophobicContact CG1-CB 4.45Å; V257-F316 HydrophobicContact CG1-CD2 3.32Å; V257-F316 HydrophobicContact CG1-CE2 3.68Å; V257-F316 HydrophobicContact CG1-CG 3.92Å; F258-F316 AromaticContact CD2-CD1 3.54Å; F258-F316 HydrophobicContact CD2-CD1 3.54Å; F258-F316 AromaticContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CE1 3.88Å; F258-F316 HydrophobicContact CD2-CG 4.39Å; F258-F316 AromaticContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CD1 3.94Å; F258-F316 HydrophobicContact CE2-CE1 4.38Å; L312-F316 PolarHBondContact O-N 3.35Å; L313-F316 WeakPolarHBondContact O-CB 3.21Å; L313-F316 PolarHBondContact O-N 2.82Å; F316-R318 PolarHBondContact O-N 3.06Å; F316-E319 PolarHBondContact O-N 3.41Å; F316-L320 HydrophobicContact CE1-CD2 4.04Å; F316-L320 HydrophobicContact CE2-CD2 4.42Å; F316-L320 HydrophobicContact CZ-CD2 3.83Å; F316-L320 PolarHBondContact O-N 3.42Å |
| 317 | L | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 179.8 | -67.1 | 169.8 | 0 | 0 | 0 | 112.6 | F258 L313 E319 L320 L324 L367 F392 S395 L396 W398 | F258-L317 HydrophobicContact CE2-CD1 4.31Å; F258-L317 HydrophobicContact CE2-CD2 3.65Å; F258-L317 HydrophobicContact CE2-CG 3.9Å; F258-L317 HydrophobicContact CZ-CD2 4.12Å; L313-L317 PolarHBondContact O-N 3.07Å; L317-E319 VanDerWaalsContact C-N 3.32Å; L317-E319 PolarHBondContact O-N 3.37Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-L324 HydrophobicContact CD2-CB 4.25Å; L317-L324 HydrophobicContact CD2-CD2 3.67Å; L317-L324 HydrophobicContact CD2-CG 4.5Å; L317-L367 HydrophobicContact CD1-CD2 3.67Å; L317-F392 HydrophobicContact CD1-CD1 4.02Å; L317-F392 HydrophobicContact CD1-CE1 3.92Å; L317-S395 CarbonylContact C-O 3.6Å; L317-S395 WeakPolarHBondContact CB-O 3.49Å; L317-L396 HydrophobicContact CD1-CD2 4.16Å; L317-W398 VanDerWaalsContact O-CH2 3.31Å; L317-W398 WeakPolarHBondContact O-CH2 3.46Å |
| 318 | R | 88.3 | Confident | 92.9 | Very high | 108 Ų | 108 | 23.8 Ų | 23.8 | 41% | 0.408 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -70.7 | -26.7 | -178.9 | -175.2 | 176.8 | 62.6 | -97.9 | -5.1 | 113.3 | K314 S315 F316 | K314-R318 WeakPolarHBondContact O-CB 3.39Å; K314-R318 PolarHBondContact O-N 3.27Å; K314-R318 VanDerWaalsContact O-N 3.09Å; K314-R318 PolarHBondContact O-NH1 3.41Å; S315-R318 PolarHBondContact O-N 3.5Å; S315-R318 PolarHBondContact OG-NH2 3.18Å; F316-R318 PolarHBondContact O-N 3.06Å |
| 319 | E | 87.2 | Confident | 92.8 | Very high | 22 Ų | 22 | 23.9 Ų | 23.9 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 8.7 | -178.6 | -66.9 | -179.9 | 175.8 | 0 | 0 | 112.5 | F238 N239 R286 Q289 S315 F316 L317 | F238-E319 WeakPolarHBondContact CD1-OE2 3.43Å; N239-E319 WeakPolarHBondContact CA-O 3.29Å; N239-E319 PolarHBondContact N-O 3.26Å; N239-E319 VanDerWaalsContact N-O 3.08Å; R286-E319 IonicContact CZ-OE1 3.77Å; R286-E319 IonicContact NH1-OE1 2.78Å; R286-E319 PolarHBondContact NH1-OE1 3.05Å; R286-E319 IonicContact NH1-OE2 3.8Å; R286-E319 IonicContact NH2-OE1 2.85Å; R286-E319 PolarHBondContact NH2-OE1 3Å; R286-E319 VanDerWaalsContact NH2-OE1 3.12Å; Q289-E319 PolarHBondContact NE2-OE2 3.29Å; S315-E319 WeakPolarHBondContact O-CB 3.4Å; S315-E319 VanDerWaalsContact O-CG 3.23Å; S315-E319 WeakPolarHBondContact O-CG 3.1Å; S315-E319 PolarHBondContact O-N 2.98Å; S315-E319 PolarHBondContact OG-OE1 3.07Å; F316-E319 PolarHBondContact O-N 3.41Å; L317-E319 VanDerWaalsContact C-N 3.32Å; L317-E319 PolarHBondContact O-N 3.37Å |
| 320 | L | 86.6 | Confident | 92.6 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.063 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -64.7 | 150.8 | 166.8 | -66.6 | 175.3 | 0 | 0 | 0 | 110.6 | L242 F316 L317 E322 L324 W398 | L242-L320 HydrophobicContact CD1-CD1 4.32Å; L242-L320 HydrophobicContact CD2-CD1 3.94Å; L242-L320 HydrophobicContact CD2-CD2 3.64Å; L242-L320 HydrophobicContact CD2-CG 4.47Å; L242-L320 HydrophobicContact CG-CD1 4.12Å; L242-L320 HydrophobicContact CG-CD2 4.14Å; F316-L320 HydrophobicContact CE1-CD2 4.04Å; F316-L320 HydrophobicContact CE2-CD2 4.42Å; F316-L320 HydrophobicContact CZ-CD2 3.83Å; F316-L320 PolarHBondContact O-N 3.42Å; L317-L320 PolarHBondContact O-N 3.49Å; L320-E322 WeakPolarHBondContact CB-O 3.41Å; L320-E322 PolarHBondContact O-N 3.02Å; L320-L324 HydrophobicContact CD1-CB 4.47Å; L320-W398 HydrophobicContact CB-CH2 4.47Å |
| 321 | T | 84.8 | Confident | 92.3 | Very high | 85 Ų | 85 | 30.4 Ų | 30.4 | 52% | 0.521 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -64.3 | -21.1 | 175.9 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | S241 | S241-T321 WeakPolarHBondContact CA-OG1 3.47Å; S241-T321 WeakPolarHBondContact CB-OG1 3.28Å |
| 322 | E | 86.9 | Confident | 92.3 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 29% | 0.29 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -142.4 | 144.3 | 178.5 | 178.3 | 171 | -164.4 | 0 | 0 | 108.3 | L320 T326 F327 | L320-E322 WeakPolarHBondContact CB-O 3.41Å; L320-E322 PolarHBondContact O-N 3.02Å; E322-T326 WeakPolarHBondContact OE1-CA 3.24Å; E322-T326 WeakPolarHBondContact OE1-CB 3.4Å; E322-F327 HydrophobicContact CB-CD2 4.34Å; E322-F327 HydrophobicContact CB-CE2 4.03Å; E322-F327 HydrophobicContact CG-CD2 3.56Å; E322-F327 HydrophobicContact CG-CE2 3.72Å; E322-F327 HydrophobicContact CG-CG 4.33Å; E322-F327 PolarHBondContact OE1-N 3.23Å |
| 323 | P | 92.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -57.9 | 150.9 | 177 | -3.4 | 4.5 | 0 | 0 | 0 | 112.9 | L325 T326 F327 L396 I397 W398 | P323-L325 PolarHBondContact O-N 3.38Å; P323-T326 WeakPolarHBondContact O-CA 3.44Å; P323-T326 PolarHBondContact O-N 2.87Å; P323-F327 HydrophobicContact CG-CD1 3.82Å; P323-F327 HydrophobicContact CG-CE1 3.63Å; P323-F327 HydrophobicContact CG-CG 4.47Å; P323-F327 HydrophobicContact CG-CZ 4.14Å; P323-L396 WeakPolarHBondContact CB-O 3.14Å; P323-I397 HydrophobicContact CB-CG1 4.45Å; P323-W398 HydrophobicContact CB-CD2 3.81Å; P323-W398 HydrophobicContact CB-CE3 3.63Å; P323-W398 HydrophobicContact CB-CH2 3.85Å; P323-W398 HydrophobicContact CB-CZ2 4Å; P323-W398 HydrophobicContact CB-CZ3 3.64Å; P323-W398 VanDerWaalsContact CD-CE2 3.47Å; P323-W398 HydrophobicContact CG-CD2 3.55Å; P323-W398 HydrophobicContact CG-CE3 3.94Å; P323-W398 HydrophobicContact CG-CG 3.95Å; P323-W398 HydrophobicContact CG-CH2 4.27Å; P323-W398 HydrophobicContact CG-CZ2 3.9Å; P323-W398 HydrophobicContact CG-CZ3 4.27Å; P323-W398 VanDerWaalsContact N-CZ2 3.3Å | ||
| 324 | L | 96.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.1 | 178.2 | -179.3 | 61.7 | 0 | 0 | 0 | 111.7 | L242 L317 L320 T326 N360 I363 L364 L396 | L242-L324 HydrophobicContact CD1-CD1 3.74Å; L317-L324 HydrophobicContact CD2-CB 4.25Å; L317-L324 HydrophobicContact CD2-CD2 3.67Å; L317-L324 HydrophobicContact CD2-CG 4.5Å; L320-L324 HydrophobicContact CD1-CB 4.47Å; L324-T326 PolarHBondContact O-N 3.41Å; L324-N360 HydrophobicContact CD1-CB 4.21Å; L324-N360 WeakPolarHBondContact O-CB 3.49Å; L324-N360 PolarHBondContact O-ND2 3.13Å; L324-I363 HydrophobicContact CD1-CB 4.01Å; L324-I363 HydrophobicContact CD1-CG2 3.93Å; L324-I363 HydrophobicContact CD2-CG2 3.96Å; L324-L364 HydrophobicContact CD2-CB 4.03Å; L324-L364 HydrophobicContact CD2-CD1 3.93Å; L324-L364 HydrophobicContact CG-CB 4.38Å; L324-L396 HydrophobicContact CD2-CD2 3.99Å; L324-L396 PolarHBondContact N-O 2.91Å |
| 325 | L | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 8.9 | 174.2 | -69 | 172.3 | 0 | 0 | 0 | 113.8 | P323 L329 I333 I352 L364 L396 I397 F414 | P323-L325 PolarHBondContact O-N 3.38Å; L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.5Å; L325-L329 WeakPolarHBondContact O-CD1 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; L325-I333 HydrophobicContact CB-CD1 4.3Å; L325-I333 HydrophobicContact CD1-CD1 4.05Å; L325-I352 HydrophobicContact CD2-CD1 3.76Å; L325-L364 HydrophobicContact CD2-CD1 4.18Å; L325-L364 HydrophobicContact CD2-CD2 3.56Å; L325-L396 HydrophobicContact CD1-CB 3.9Å; L325-L396 HydrophobicContact CG-CB 4.32Å; L325-L396 PolarHBondContact N-O 3.4Å; L325-I397 HydrophobicContact CB-CB 4.07Å; L325-I397 HydrophobicContact CB-CD1 3.93Å; L325-I397 HydrophobicContact CB-CG1 4.28Å; L325-I397 HydrophobicContact CD1-CB 4.08Å; L325-I397 HydrophobicContact CD1-CG2 4.28Å; L325-F414 HydrophobicContact CD1-CD1 4.38Å; L325-F414 HydrophobicContact CD1-CE1 4.19Å |
| 326 | T | 95.8 | Very high | 92 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 160.9 | -179.1 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | E322 P323 L324 E328 L356 P357 | E322-T326 WeakPolarHBondContact OE1-CA 3.24Å; E322-T326 WeakPolarHBondContact OE1-CB 3.4Å; P323-T326 WeakPolarHBondContact O-CA 3.44Å; P323-T326 PolarHBondContact O-N 2.87Å; L324-T326 PolarHBondContact O-N 3.41Å; T326-E328 VanDerWaalsContact C-N 3.34Å; T326-E328 WeakPolarHBondContact CB-OE2 3.43Å; T326-L356 HydrophobicContact CG2-CD1 4.07Å; T326-P357 HydrophobicContact CG2-CG 4.07Å |
| 327 | F | 90.7 | Very high | 91.8 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -27.2 | 173.9 | -68.6 | -60.7 | 0 | 0 | 0 | 112.3 | E322 P323 L329 Y330 W398 R400 | E322-F327 HydrophobicContact CB-CD2 4.34Å; E322-F327 HydrophobicContact CB-CE2 4.03Å; E322-F327 HydrophobicContact CG-CD2 3.56Å; E322-F327 HydrophobicContact CG-CE2 3.72Å; E322-F327 HydrophobicContact CG-CG 4.33Å; E322-F327 PolarHBondContact OE1-N 3.23Å; P323-F327 HydrophobicContact CG-CD1 3.82Å; P323-F327 HydrophobicContact CG-CE1 3.63Å; P323-F327 HydrophobicContact CG-CG 4.47Å; P323-F327 HydrophobicContact CG-CZ 4.14Å; F327-L329 VanDerWaalsContact C-N 3.32Å; F327-L329 PolarHBondContact O-N 2.81Å; F327-Y330 VanDerWaalsContact O-CB 3.22Å; F327-Y330 WeakPolarHBondContact O-CB 3.49Å; F327-Y330 PolarHBondContact O-N 3.32Å; F327-W398 WeakPolarHBondContact CD1-O 3.48Å; F327-W398 AromaticContact CE1-CD1 3.74Å; F327-W398 AromaticContact CE1-NE1 3.71Å; F327-W398 WeakPolarHBondContact CE1-O 3.43Å; F327-W398 AromaticContact CZ-NE1 3.71Å; F327-R400 HydrophobicContact CB-CG 4.41Å; F327-R400 HydrophobicContact CD1-CG 3.49Å; F327-R400 VanDerWaalsContact CD1-CG 3.49Å; F327-R400 HydrophobicContact CD2-CG 3.95Å; F327-R400 VanDerWaalsContact CD2-CZ 3.47Å; F327-R400 VanDerWaalsContact CD2-NH2 3.31Å; F327-R400 HydrophobicContact CE1-CB 4.48Å; F327-R400 HydrophobicContact CE1-CG 3.53Å; F327-R400 HydrophobicContact CE2-CG 3.97Å; F327-R400 HydrophobicContact CG-CG 3.7Å; F327-R400 HydrophobicContact CZ-CG 3.76Å |
| 328 | E | 93.7 | Very high | 91.5 | Very high | 122 Ų | 122 | 42.8 Ų | 42.8 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -33.3 | -177.5 | -69.1 | 67.3 | -150.4 | 0 | 0 | 112.3 | T326 Y330 | T326-E328 VanDerWaalsContact C-N 3.34Å; T326-E328 WeakPolarHBondContact CB-OE2 3.43Å; E328-Y330 VanDerWaalsContact C-N 3.31Å |
| 329 | L | 95.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6.6 | 177.5 | -55.3 | -174.5 | 0 | 0 | 0 | 113.6 | L325 F327 D331 E332 I333 L351 K355 L356 | L325-L329 VanDerWaalsContact O-CB 3.29Å; L325-L329 WeakPolarHBondContact O-CB 3.5Å; L325-L329 WeakPolarHBondContact O-CD1 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.42Å; F327-L329 VanDerWaalsContact C-N 3.32Å; F327-L329 PolarHBondContact O-N 2.81Å; L329-D331 PolarHBondContact O-N 3.48Å; L329-E332 PolarHBondContact O-N 3.23Å; L329-I333 HydrophobicContact CB-CD1 3.91Å; L329-I333 HydrophobicContact CB-CG1 4.41Å; L329-I333 WeakPolarHBondContact O-CB 3.4Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.46Å; L329-I333 PolarHBondContact O-N 3.21Å; L329-L351 HydrophobicContact CD2-CD2 4.4Å; L329-K355 HydrophobicContact CD2-CB 3.61Å; L329-K355 HydrophobicContact CD2-CD 4.11Å; L329-L356 HydrophobicContact CD1-CB 4.28Å; L329-L356 HydrophobicContact CD1-CD1 3.76Å |
| 330 | Y | 91.6 | Very high | 92 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.1 | -56.8 | -172.8 | -171.1 | -91.2 | 0 | 0 | 0 | 112.4 | F327 E328 E332 I333 L334 I397 W398 S399 A403 I411 | F327-Y330 VanDerWaalsContact O-CB 3.22Å; F327-Y330 WeakPolarHBondContact O-CB 3.49Å; F327-Y330 PolarHBondContact O-N 3.32Å; E328-Y330 VanDerWaalsContact C-N 3.31Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; Y330-E332 PolarHBondContact O-N 2.84Å; Y330-I333 PolarHBondContact O-N 3.13Å; Y330-L334 HydrophobicContact CD1-CD1 4.04Å; Y330-L334 HydrophobicContact CD1-CG 4.44Å; Y330-L334 HydrophobicContact CE1-CD1 3.45Å; Y330-L334 VanDerWaalsContact CE1-CD1 3.45Å; Y330-L334 HydrophobicContact CE1-CG 4.13Å; Y330-L334 WeakPolarHBondContact O-CG 3.43Å; Y330-L334 PolarHBondContact O-N 2.79Å; Y330-L334 VanDerWaalsContact O-N 3.07Å; Y330-I397 HydrophobicContact CD2-CD1 3.87Å; Y330-I397 HydrophobicContact CD2-CG1 3.69Å; Y330-I397 HydrophobicContact CE2-CG1 4.31Å; Y330-I397 HydrophobicContact CG-CD1 4.47Å; Y330-W398 VanDerWaalsContact CE2-C 3.47Å; Y330-S399 VanDerWaalsContact CE2-N 3.3Å; Y330-A403 WeakPolarHBondContact OH-CB 3.47Å; Y330-I411 HydrophobicContact CE2-CD1 4.1Å |
| 331 | D | 91.5 | Very high | 92.3 | Very high | 124 Ų | 124 | 46.3 Ų | 46.3 | 66% | 0.663 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.1 | -31.6 | -178.3 | -66.1 | -34.8 | 0 | 0 | 0 | 111.9 | L329 L334 G335 | L329-D331 PolarHBondContact O-N 3.48Å; D331-L334 PolarHBondContact O-N 3.37Å; D331-G335 PolarHBondContact O-N 2.81Å |
| 332 | E | 94.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 50.8 Ų | 50.8 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 176.9 | -61.3 | -165.5 | -119.2 | 0 | 0 | 112.4 | L329 Y330 G335 L351 K355 | L329-E332 PolarHBondContact O-N 3.23Å; Y330-E332 VanDerWaalsContact C-N 3.3Å; Y330-E332 PolarHBondContact O-N 2.84Å; E332-G335 PolarHBondContact O-N 2.85Å; E332-L351 HydrophobicContact CB-CD1 3.94Å; E332-L351 HydrophobicContact CB-CD2 3.8Å; E332-L351 HydrophobicContact CG-CD2 4.36Å; E332-L351 WeakPolarHBondContact OE2-CD2 3.5Å; E332-K355 VanDerWaalsContact OE1-CD 3.22Å; E332-K355 WeakPolarHBondContact OE1-CD 3.18Å; E332-K355 WeakPolarHBondContact OE1-CE 3.29Å; E332-K355 IonicContact OE1-NZ 2.62Å; E332-K355 PolarHBondContact OE1-NZ 3.34Å; E332-K355 IonicContact OE2-NZ 2.64Å; E332-K355 PolarHBondContact OE2-NZ 2.91Å |
| 333 | I | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | 173.6 | -73.3 | 163.9 | 0 | 0 | 0 | 109.9 | L325 L329 Y330 G335 T336 L351 I397 V410 F414 | L325-I333 HydrophobicContact CB-CD1 4.3Å; L325-I333 HydrophobicContact CD1-CD1 4.05Å; L329-I333 HydrophobicContact CB-CD1 3.91Å; L329-I333 HydrophobicContact CB-CG1 4.41Å; L329-I333 WeakPolarHBondContact O-CB 3.4Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.46Å; L329-I333 PolarHBondContact O-N 3.21Å; Y330-I333 PolarHBondContact O-N 3.13Å; I333-G335 PolarHBondContact O-N 2.69Å; I333-T336 VanDerWaalsContact O-CB 3.29Å; I333-T336 WeakPolarHBondContact O-CB 3.39Å; I333-T336 VanDerWaalsContact O-CG2 3.25Å; I333-T336 WeakPolarHBondContact O-CG2 3.39Å; I333-T336 PolarHBondContact O-N 3.32Å; I333-T336 VanDerWaalsContact O-N 3.07Å; I333-T336 PolarHBondContact O-OG1 2.95Å; I333-L351 HydrophobicContact CG1-CD1 3.92Å; I333-I397 HydrophobicContact CD1-CD1 3.4Å; I333-I397 VanDerWaalsContact CD1-CD1 3.4Å; I333-V410 WeakPolarHBondContact O-CG1 3.44Å; I333-F414 HydrophobicContact CD1-CD1 4.12Å; I333-F414 HydrophobicContact CD1-CE1 3.78Å; I333-F414 HydrophobicContact CD1-CZ 4.17Å; I333-F414 HydrophobicContact CG1-CD1 4.1Å; I333-F414 HydrophobicContact CG1-CD2 4.27Å; I333-F414 HydrophobicContact CG1-CE1 3.83Å; I333-F414 HydrophobicContact CG1-CE2 4.01Å; I333-F414 HydrophobicContact CG1-CG 4.31Å; I333-F414 HydrophobicContact CG1-CZ 3.79Å; I333-F414 HydrophobicContact CG2-CB 3.87Å; I333-F414 HydrophobicContact CG2-CD1 4Å; I333-F414 HydrophobicContact CG2-CD2 4.08Å; I333-F414 HydrophobicContact CG2-CG 3.72Å |
| 334 | L | 92 | Very high | 93.4 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -32.5 | 174.5 | -65.5 | -169.2 | 0 | 0 | 0 | 112.6 | Y330 D331 T336 S337 A407 V410 I411 | Y330-L334 HydrophobicContact CD1-CD1 4.04Å; Y330-L334 HydrophobicContact CD1-CG 4.44Å; Y330-L334 HydrophobicContact CE1-CD1 3.45Å; Y330-L334 VanDerWaalsContact CE1-CD1 3.45Å; Y330-L334 HydrophobicContact CE1-CG 4.13Å; Y330-L334 WeakPolarHBondContact O-CG 3.43Å; Y330-L334 PolarHBondContact O-N 2.79Å; Y330-L334 VanDerWaalsContact O-N 3.07Å; D331-L334 PolarHBondContact O-N 3.37Å; L334-T336 PolarHBondContact O-N 2.92Å; L334-T336 VanDerWaalsContact O-N 3.11Å; L334-S337 WeakPolarHBondContact O-CB 3.45Å; L334-S337 PolarHBondContact O-N 2.92Å; L334-A407 HydrophobicContact CD1-CB 4.14Å; L334-A407 HydrophobicContact CD2-CB 3.77Å; L334-V410 HydrophobicContact CD2-CB 4.09Å; L334-V410 HydrophobicContact CD2-CG1 4.18Å; L334-I411 HydrophobicContact CD2-CG1 4.39Å |
| 335 | G | 91.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 56 Ų | 56 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D331 E332 I333 S337 | D331-G335 PolarHBondContact O-N 2.81Å; E332-G335 PolarHBondContact O-N 2.85Å; I333-G335 PolarHBondContact O-N 2.69Å; G335-S337 PolarHBondContact O-N 2.92Å |
| 336 | T | 92.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.6 | 170.1 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | I333 L334 G338 L339 K344 L347 V410 F414 | I333-T336 VanDerWaalsContact O-CB 3.29Å; I333-T336 WeakPolarHBondContact O-CB 3.39Å; I333-T336 VanDerWaalsContact O-CG2 3.25Å; I333-T336 WeakPolarHBondContact O-CG2 3.39Å; I333-T336 PolarHBondContact O-N 3.32Å; I333-T336 VanDerWaalsContact O-N 3.07Å; I333-T336 PolarHBondContact O-OG1 2.95Å; L334-T336 PolarHBondContact O-N 2.92Å; L334-T336 VanDerWaalsContact O-N 3.11Å; T336-G338 PolarHBondContact O-N 2.78Å; T336-L339 PolarHBondContact O-N 3.33Å; T336-K344 WeakPolarHBondContact O-CE 3.26Å; T336-L347 HydrophobicContact CG2-CD2 3.72Å; T336-L347 HydrophobicContact CG2-CG 4.3Å; T336-V410 WeakPolarHBondContact OG1-CG1 3.47Å; T336-F414 HydrophobicContact CG2-CD2 3.99Å; T336-F414 HydrophobicContact CG2-CE2 4.26Å |
| 337 | S | 89 | Confident | 93.5 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 124.7 | 174.3 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | L334 G335 | L334-S337 WeakPolarHBondContact O-CB 3.45Å; L334-S337 PolarHBondContact O-N 2.92Å; G335-S337 PolarHBondContact O-N 2.92Å |
| 338 | G | 87.5 | Confident | 93.8 | Very high | 77 Ų | 77 | 59 Ų | 59 | 79% | 0.794 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -11.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | T336 | T336-G338 PolarHBondContact O-N 2.78Š|
| 339 | L | 93.6 | Very high | 94 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | trans | -72.9 | 153.3 | 173.8 | -62.5 | -175.8 | 0 | 0 | 0 | 111.9 | T336 E343 K344 L347 | T336-L339 PolarHBondContact O-N 3.33Å; L339-E343 HydrophobicContact CB-CB 3.94Å; L339-E343 HydrophobicContact CD1-CB 4.35Å; L339-K344 HydrophobicContact CB-CG 3.73Å; L339-K344 WeakPolarHBondContact O-CE 3.24Å; L339-L347 HydrophobicContact CD1-CB 4.37Å; L339-L347 HydrophobicContact CD1-CD2 3.61Å | ||
| 340 | D | 93.9 | Very high | 94 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | trans | -70 | 168.9 | 171.5 | 85.3 | 26.6 | 0 | 0 | 0 | 111.9 | K342 E343 K344 | D340-K342 VanDerWaalsContact C-N 3.32Å; D340-K342 PolarHBondContact O-N 2.79Å; D340-K342 WeakPolarHBondContact OD1-CA 3.47Å; D340-K342 WeakPolarHBondContact OD1-CB 3.45Å; D340-K342 PolarHBondContact OD1-N 3.21Å; D340-E343 PolarHBondContact N-OE2 2.81Å; D340-E343 PolarHBondContact O-N 2.83Å; D340-E343 WeakPolarHBondContact OD1-CB 3.11Å; D340-E343 WeakPolarHBondContact OD1-CG 3.48Å; D340-E343 PolarHBondContact OD1-N 3.05Å; D340-K344 VanDerWaalsContact O-CG 3.27Å; D340-K344 WeakPolarHBondContact O-CG 3.06Å; D340-K344 PolarHBondContact O-N 2.87Å | ||
| 341 | A | 93 | Very high | 94.3 | Very high | 79 Ų | 79 | 61.5 Ų | 61.5 | 65% | 0.653 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.6 | -37.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V345 | A341-V345 WeakPolarHBondContact O-CG2 3.4Å; A341-V345 PolarHBondContact O-N 3.45Å |
| 342 | K | 94.8 | Very high | 94.6 | Very high | 179 Ų | 179 | 55.7 Ų | 55.7 | 78% | 0.778 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -74.4 | -41.6 | -179.1 | -70.4 | -179.4 | 178.5 | 177.7 | 0 | 110.9 | D340 K344 V345 A346 | D340-K342 VanDerWaalsContact C-N 3.32Å; D340-K342 PolarHBondContact O-N 2.79Å; D340-K342 WeakPolarHBondContact OD1-CA 3.47Å; D340-K342 WeakPolarHBondContact OD1-CB 3.45Å; D340-K342 PolarHBondContact OD1-N 3.21Å; K342-K344 VanDerWaalsContact C-N 3.35Å; K342-V345 PolarHBondContact O-N 3.5Å; K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 3.47Å |
| 343 | E | 96.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176 | -70.4 | 176.9 | 141.3 | 0 | 0 | 111.3 | L339 D340 V345 A346 L347 | L339-E343 HydrophobicContact CB-CB 3.94Å; L339-E343 HydrophobicContact CD1-CB 4.35Å; D340-E343 PolarHBondContact N-OE2 2.81Å; D340-E343 PolarHBondContact O-N 2.83Å; D340-E343 WeakPolarHBondContact OD1-CB 3.11Å; D340-E343 WeakPolarHBondContact OD1-CG 3.48Å; D340-E343 PolarHBondContact OD1-N 3.05Å; E343-V345 PolarHBondContact O-N 2.87Å; E343-A346 PolarHBondContact O-N 2.86Å; E343-L347 WeakPolarHBondContact O-CB 3.23Å; E343-L347 PolarHBondContact O-N 3.03Å |
| 344 | K | 96.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 62 Ų | 62 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.3 | -72.6 | 176.9 | 172.9 | 169 | 0 | 112.3 | T336 L339 D340 K342 L347 A348 I417 | T336-K344 WeakPolarHBondContact O-CE 3.26Å; L339-K344 HydrophobicContact CB-CG 3.73Å; L339-K344 WeakPolarHBondContact O-CE 3.24Å; D340-K344 VanDerWaalsContact O-CG 3.27Å; D340-K344 WeakPolarHBondContact O-CG 3.06Å; D340-K344 PolarHBondContact O-N 2.87Å; K342-K344 VanDerWaalsContact C-N 3.35Å; K344-L347 PolarHBondContact O-N 3.05Å; K344-A348 VanDerWaalsContact O-CB 3.3Å; K344-A348 WeakPolarHBondContact O-CB 3.29Å; K344-A348 PolarHBondContact O-N 2.68Å; K344-I417 HydrophobicContact CB-CD1 3.67Å; K344-I417 HydrophobicContact CD-CD1 3.98Å; K344-I417 HydrophobicContact CG-CD1 4.38Å |
| 345 | V | 96.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 64.6 Ų | 64.6 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.4 | 177 | 0 | 0 | 0 | 0 | 110.8 | A341 K342 E343 A348 K349 I417 H421 I425 | A341-V345 WeakPolarHBondContact O-CG2 3.4Å; A341-V345 PolarHBondContact O-N 3.45Å; K342-V345 PolarHBondContact O-N 3.5Å; E343-V345 PolarHBondContact O-N 2.87Å; V345-A348 PolarHBondContact O-N 3.21Å; V345-K349 WeakPolarHBondContact O-CB 3.47Å; V345-K349 PolarHBondContact O-N 3Å; V345-I417 HydrophobicContact CG2-CG2 4.07Å; V345-H421 HydrophobicContact CG1-CB 4.25Å; V345-H421 HydrophobicContact CG2-CB 4.48Å; V345-I425 HydrophobicContact CG1-CD1 4.46Å; V345-I425 HydrophobicContact CG1-CG1 4.24Å |
| 346 | A | 96.5 | Very high | 95.1 | Very high | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K342 E343 K349 K350 | K342-A346 WeakPolarHBondContact O-CB 3.46Å; K342-A346 PolarHBondContact O-N 3.47Å; E343-A346 PolarHBondContact O-N 2.86Å; A346-K349 PolarHBondContact O-N 2.87Å; A346-K350 PolarHBondContact O-N 2.83Å |
| 347 | L | 96.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 20% | 0.199 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 175.5 | -178.6 | 56.1 | 0 | 0 | 0 | 110.9 | T336 L339 E343 K344 K349 K350 L351 | T336-L347 HydrophobicContact CG2-CD2 3.72Å; T336-L347 HydrophobicContact CG2-CG 4.3Å; L339-L347 HydrophobicContact CD1-CB 4.37Å; L339-L347 HydrophobicContact CD1-CD2 3.61Å; E343-L347 WeakPolarHBondContact O-CB 3.23Å; E343-L347 PolarHBondContact O-N 3.03Å; K344-L347 PolarHBondContact O-N 3.05Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.63Å; L347-K350 HydrophobicContact CD1-CD 4.47Å; L347-K350 WeakPolarHBondContact O-CB 3.4Å; L347-K350 PolarHBondContact O-N 2.85Å; L347-L351 HydrophobicContact CD1-CD1 4.46Å; L347-L351 HydrophobicContact CD1-CD2 4.11Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 4.29Å; L347-L351 HydrophobicContact CG-CG 4.29Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.45Å |
| 348 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K344 V345 K350 L351 I352 F414 I417 L418 I425 | K344-A348 VanDerWaalsContact O-CB 3.3Å; K344-A348 WeakPolarHBondContact O-CB 3.29Å; K344-A348 PolarHBondContact O-N 2.68Å; V345-A348 PolarHBondContact O-N 3.21Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.39Å; A348-L351 PolarHBondContact O-N 3.22Å; A348-I352 WeakPolarHBondContact O-CB 3.39Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.31Å; A348-I352 PolarHBondContact O-N 2.83Å; A348-F414 HydrophobicContact CB-CD2 4.39Å; A348-F414 HydrophobicContact CB-CE2 3.61Å; A348-F414 HydrophobicContact CB-CZ 4.04Å; A348-I417 HydrophobicContact CB-CG2 4.12Å; A348-L418 HydrophobicContact CB-CD2 4.43Å; A348-I425 HydrophobicContact CB-CD1 3.94Å |
| 349 | K | 97.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 64.6 Ų | 64.6 | 31% | 0.313 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -45.9 | 174.2 | -175.4 | 169.8 | -171.1 | 153 | 0 | 112.3 | V345 A346 L347 L353 C424 I425 T427 | V345-K349 WeakPolarHBondContact O-CB 3.47Å; V345-K349 PolarHBondContact O-N 3Å; A346-K349 PolarHBondContact O-N 2.87Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.63Å; K349-L353 HydrophobicContact CD-CD1 4.25Å; K349-L353 VanDerWaalsContact CE-CD1 3.41Å; K349-L353 HydrophobicContact CG-CD1 3.71Å; K349-L353 HydrophobicContact CG-CG 4.24Å; K349-L353 WeakPolarHBondContact O-CB 3.47Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 2.91Å; K349-C424 WeakPolarHBondContact CD-O 3.23Å; K349-C424 WeakPolarHBondContact CE-O 3.21Å; K349-C424 PolarHBondContact NZ-O 3.09Å; K349-I425 HydrophobicContact CB-CG1 4.38Å; K349-T427 PolarHBondContact NZ-O 2.67Å |
| 350 | K | 96.8 | Very high | 96 | Very high | 119 Ų | 119 | 63 Ų | 63 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 177.6 | -178.2 | -174.3 | 176.7 | -174.3 | 0 | 111.9 | A346 L347 A348 M354 | A346-K350 PolarHBondContact O-N 2.83Å; L347-K350 HydrophobicContact CD1-CD 4.47Å; L347-K350 WeakPolarHBondContact O-CB 3.4Å; L347-K350 PolarHBondContact O-N 2.85Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.39Å; K350-M354 WeakPolarHBondContact O-CB 3.31Å; K350-M354 PolarHBondContact O-N 3.09Å |
| 351 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | -179.2 | -62.7 | -176.4 | 0 | 0 | 0 | 111.1 | L329 E332 I333 L347 A348 K355 L356 F414 | L329-L351 HydrophobicContact CD2-CD2 4.4Å; E332-L351 HydrophobicContact CB-CD1 3.94Å; E332-L351 HydrophobicContact CB-CD2 3.8Å; E332-L351 HydrophobicContact CG-CD2 4.36Å; E332-L351 WeakPolarHBondContact OE2-CD2 3.5Å; I333-L351 HydrophobicContact CG1-CD1 3.92Å; L347-L351 HydrophobicContact CD1-CD1 4.46Å; L347-L351 HydrophobicContact CD1-CD2 4.11Å; L347-L351 HydrophobicContact CD1-CG 4.06Å; L347-L351 HydrophobicContact CG-CD1 4.29Å; L347-L351 HydrophobicContact CG-CG 4.29Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.45Å; A348-L351 PolarHBondContact O-N 3.22Å; L351-K355 HydrophobicContact CD2-CD 4.01Å; L351-K355 WeakPolarHBondContact O-CB 3.34Å; L351-K355 PolarHBondContact O-N 3.28Å; L351-K355 VanDerWaalsContact O-N 3.15Å; L351-L356 PolarHBondContact O-N 3.15Å; L351-L356 VanDerWaalsContact O-N 3.12Å; L351-F414 HydrophobicContact CD1-CE2 4.26Å; L351-F414 HydrophobicContact CD1-CZ 4.33Å |
| 352 | I | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -43.4 | -177.2 | -62.5 | -48.1 | 0 | 0 | 0 | 112.3 | L325 A348 L356 Y361 L364 F414 L418 I425 F426 | L325-I352 HydrophobicContact CD2-CD1 3.76Å; A348-I352 WeakPolarHBondContact O-CB 3.39Å; A348-I352 VanDerWaalsContact O-CG1 3.29Å; A348-I352 WeakPolarHBondContact O-CG1 3.31Å; A348-I352 PolarHBondContact O-N 2.83Å; I352-L356 HydrophobicContact CD1-CD2 4.2Å; I352-L356 WeakPolarHBondContact O-CB 3.09Å; I352-Y361 HydrophobicContact CG2-CD2 3.72Å; I352-Y361 HydrophobicContact CG2-CE2 3.8Å; I352-L364 HydrophobicContact CD1-CD2 3.58Å; I352-L364 HydrophobicContact CG1-CD2 4.42Å; I352-L364 HydrophobicContact CG2-CD2 4.39Å; I352-F414 HydrophobicContact CD1-CZ 4.49Å; I352-L418 HydrophobicContact CD1-CD2 4.27Å; I352-L418 HydrophobicContact CG1-CD2 3.82Å; I352-I425 HydrophobicContact CB-CG2 4.15Å; I352-I425 HydrophobicContact CG1-CG2 4.12Å; I352-I425 HydrophobicContact CG2-CG2 4.32Å; I352-F426 HydrophobicContact CG2-CD1 4.06Å; I352-F426 HydrophobicContact CG2-CE1 3.62Å; I352-F426 HydrophobicContact CG2-CZ 3.96Å |
| 353 | L | 96.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -85.2 | -27.7 | -175 | -64.8 | -174.9 | 0 | 0 | 0 | 114.6 | K349 Y361 K428 | K349-L353 HydrophobicContact CD-CD1 4.25Å; K349-L353 VanDerWaalsContact CE-CD1 3.41Å; K349-L353 HydrophobicContact CG-CD1 3.71Å; K349-L353 HydrophobicContact CG-CG 4.24Å; K349-L353 WeakPolarHBondContact O-CB 3.47Å; K349-L353 WeakPolarHBondContact O-CG 3.47Å; K349-L353 PolarHBondContact O-N 2.91Å; L353-Y361 HydrophobicContact CD2-CD2 4.48Å; L353-Y361 HydrophobicContact CD2-CE2 3.58Å; L353-K428 HydrophobicContact CD2-CG 4.06Å |
| 354 | M | 94.8 | Very high | 96.4 | Very high | 153 Ų | 153 | 47.2 Ų | 47.2 | 75% | 0.754 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -112 | -18.2 | -170.1 | -56.7 | -72.5 | 170.9 | 0 | 0 | 114 | K350 | K350-M354 WeakPolarHBondContact O-CB 3.31Å; K350-M354 PolarHBondContact O-N 3.09Å |
| 355 | K | 96.5 | Very high | 96.5 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -28.1 | -173.8 | -65.8 | -167.4 | 161.1 | -170.7 | 0 | 114.6 | L329 E332 L351 | L329-K355 HydrophobicContact CD2-CB 3.61Å; L329-K355 HydrophobicContact CD2-CD 4.11Å; E332-K355 VanDerWaalsContact OE1-CD 3.22Å; E332-K355 WeakPolarHBondContact OE1-CD 3.18Å; E332-K355 WeakPolarHBondContact OE1-CE 3.29Å; E332-K355 IonicContact OE1-NZ 2.62Å; E332-K355 PolarHBondContact OE1-NZ 3.34Å; E332-K355 IonicContact OE2-NZ 2.64Å; E332-K355 PolarHBondContact OE2-NZ 2.91Å; L351-K355 HydrophobicContact CD2-CD 4.01Å; L351-K355 WeakPolarHBondContact O-CB 3.34Å; L351-K355 PolarHBondContact O-N 3.28Å; L351-K355 VanDerWaalsContact O-N 3.15Å |
| 356 | L | 96.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -71 | 131.7 | 178.7 | -166.7 | 66.7 | 0 | 0 | 0 | 110.1 | T326 L329 L351 I352 N360 L364 | T326-L356 HydrophobicContact CG2-CD1 4.07Å; L329-L356 HydrophobicContact CD1-CB 4.28Å; L329-L356 HydrophobicContact CD1-CD1 3.76Å; L351-L356 PolarHBondContact O-N 3.15Å; L351-L356 VanDerWaalsContact O-N 3.12Å; I352-L356 HydrophobicContact CD1-CD2 4.2Å; I352-L356 WeakPolarHBondContact O-CB 3.09Å; L356-N360 HydrophobicContact CD1-CB 3.79Å; L356-N360 HydrophobicContact CD2-CB 4.24Å; L356-N360 HydrophobicContact CG-CB 3.76Å; L356-L364 HydrophobicContact CD2-CB 4.33Å; L356-L364 HydrophobicContact CD2-CD2 3.61Å |
| 357 | P | 96.3 | Very high | 96.6 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -57.5 | 148.8 | 174.8 | -24.6 | 34.2 | 0 | 0 | 0 | 112.2 | T326 D359 N360 Y361 | T326-P357 HydrophobicContact CG2-CG 4.07Å; P357-D359 VanDerWaalsContact C-N 3.33Å; P357-D359 PolarHBondContact O-N 3.26Å; P357-N360 HydrophobicContact CB-CB 4.41Å; P357-N360 WeakPolarHBondContact O-CB 2.87Å; P357-N360 PolarHBondContact O-N 3.27Å; P357-N360 VanDerWaalsContact O-N 3.11Å; P357-Y361 PolarHBondContact O-N 2.73Å | ||
| 358 | D | 94.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 41.7 Ų | 41.7 | 59% | 0.594 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -56 | -43.5 | -173.9 | -73.3 | -38.2 | 0 | 0 | 0 | 112.9 | N360 Y361 E362 | D358-N360 PolarHBondContact O-N 3.15Å; D358-Y361 WeakPolarHBondContact O-CB 3.48Å; D358-Y361 PolarHBondContact O-N 3.14Å; D358-E362 WeakPolarHBondContact O-CG 3.4Å; D358-E362 PolarHBondContact O-N 2.89Å |
| 359 | D | 93.7 | Very high | 96.7 | Very high | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.9 | -40.7 | 179.6 | -69.9 | -26.3 | 0 | 0 | 0 | 112.2 | K246 P357 E362 I363 | K246-D359 VanDerWaalsContact CD-OD2 3.23Å; K246-D359 WeakPolarHBondContact CD-OD2 3.43Å; K246-D359 IonicContact NZ-OD1 3.82Å; K246-D359 PolarHBondContact NZ-OD1 2.88Å; K246-D359 IonicContact NZ-OD2 3.27Å; K246-D359 PolarHBondContact NZ-OD2 3.17Å; P357-D359 VanDerWaalsContact C-N 3.33Å; P357-D359 PolarHBondContact O-N 3.26Å; D359-E362 PolarHBondContact O-N 3.24Å; D359-I363 PolarHBondContact O-N 3.46Å |
| 360 | N | 96.7 | Very high | 96.8 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 174.4 | -65.8 | 63.7 | 0 | 0 | 0 | 111 | L324 L356 P357 D358 L364 | L324-N360 HydrophobicContact CD1-CB 4.21Å; L324-N360 WeakPolarHBondContact O-CB 3.49Å; L324-N360 PolarHBondContact O-ND2 3.13Å; L356-N360 HydrophobicContact CD1-CB 3.79Å; L356-N360 HydrophobicContact CD2-CB 4.24Å; L356-N360 HydrophobicContact CG-CB 3.76Å; P357-N360 HydrophobicContact CB-CB 4.41Å; P357-N360 WeakPolarHBondContact O-CB 2.87Å; P357-N360 PolarHBondContact O-N 3.27Å; P357-N360 VanDerWaalsContact O-N 3.11Å; D358-N360 PolarHBondContact O-N 3.15Å; N360-L364 WeakPolarHBondContact O-CB 2.86Å; N360-L364 PolarHBondContact O-N 2.85Å |
| 361 | Y | 97.2 | Very high | 96.8 | Very high | 19 Ų | 19 | 38 Ų | 38 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.7 | 172.1 | -91.3 | 0 | 0 | 0 | 111.5 | I352 L353 P357 D358 L364 N365 F426 | I352-Y361 HydrophobicContact CG2-CD2 3.72Å; I352-Y361 HydrophobicContact CG2-CE2 3.8Å; L353-Y361 HydrophobicContact CD2-CD2 4.48Å; L353-Y361 HydrophobicContact CD2-CE2 3.58Å; P357-Y361 PolarHBondContact O-N 2.73Å; D358-Y361 WeakPolarHBondContact O-CB 3.48Å; D358-Y361 PolarHBondContact O-N 3.14Å; Y361-L364 PolarHBondContact O-N 3.16Å; Y361-N365 HydrophobicContact CE1-CB 4.38Å; Y361-N365 WeakPolarHBondContact O-CB 3.44Å; Y361-N365 PolarHBondContact O-N 3.11Å; Y361-F426 AromaticContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CE1 4.28Å; Y361-F426 PolarHBondContact OH-O 3.13Å |
| 362 | E | 94.9 | Very high | 96.9 | Very high | 86 Ų | 86 | 39.6 Ų | 39.6 | 40% | 0.402 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.1 | -46.1 | -179 | -74.3 | -169.6 | -163.7 | 0 | 0 | 112.3 | P253 D358 D359 N365 F366 | P253-E362 HydrophobicContact CB-CB 4.5Å; P253-E362 VanDerWaalsContact CB-OE2 3.31Å; P253-E362 WeakPolarHBondContact CB-OE2 3.44Å; P253-E362 WeakPolarHBondContact CG-OE2 3.3Å; D358-E362 WeakPolarHBondContact O-CG 3.4Å; D358-E362 PolarHBondContact O-N 2.89Å; D359-E362 PolarHBondContact O-N 3.24Å; E362-N365 PolarHBondContact O-N 3Å; E362-F366 WeakPolarHBondContact O-CB 3.45Å; E362-F366 PolarHBondContact O-N 3.35Å |
| 363 | I | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 177.2 | -65.5 | 160 | 0 | 0 | 0 | 110.8 | L242 P253 P255 F258 L324 D359 F366 L367 | L242-I363 HydrophobicContact CD1-CD1 3.69Å; L242-I363 HydrophobicContact CD2-CD1 3.48Å; L242-I363 VanDerWaalsContact CD2-CD1 3.48Å; L242-I363 HydrophobicContact CG-CD1 4.06Å; P253-I363 WeakPolarHBondContact O-CD1 3.45Å; P255-I363 HydrophobicContact CG-CD1 4.46Å; F258-I363 HydrophobicContact CD1-CG2 4.41Å; F258-I363 HydrophobicContact CE1-CG2 3.97Å; F258-I363 HydrophobicContact CE2-CG2 4.16Å; F258-I363 HydrophobicContact CZ-CG2 3.83Å; L324-I363 HydrophobicContact CD1-CB 4.01Å; L324-I363 HydrophobicContact CD1-CG2 3.93Å; L324-I363 HydrophobicContact CD2-CG2 3.96Å; D359-I363 PolarHBondContact O-N 3.46Å; I363-F366 PolarHBondContact O-N 3.5Å; I363-L367 WeakPolarHBondContact O-CB 3.48Å; I363-L367 PolarHBondContact O-N 3.15Å |
| 364 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -46.3 | 177.8 | -176.4 | 71.6 | 0 | 0 | 0 | 111 | L324 L325 I352 L356 N360 Y361 F366 L367 I368 L396 F426 | L324-L364 HydrophobicContact CD2-CB 4.03Å; L324-L364 HydrophobicContact CD2-CD1 3.93Å; L324-L364 HydrophobicContact CG-CB 4.38Å; L325-L364 HydrophobicContact CD2-CD1 4.18Å; L325-L364 HydrophobicContact CD2-CD2 3.56Å; I352-L364 HydrophobicContact CD1-CD2 3.58Å; I352-L364 HydrophobicContact CG1-CD2 4.42Å; I352-L364 HydrophobicContact CG2-CD2 4.39Å; L356-L364 HydrophobicContact CD2-CB 4.33Å; L356-L364 HydrophobicContact CD2-CD2 3.61Å; N360-L364 WeakPolarHBondContact O-CB 2.86Å; N360-L364 PolarHBondContact O-N 2.85Å; Y361-L364 PolarHBondContact O-N 3.16Å; L364-F366 VanDerWaalsContact C-N 3.33Å; L364-F366 PolarHBondContact O-N 3.33Å; L364-L367 PolarHBondContact O-N 2.93Å; L364-I368 HydrophobicContact CD1-CD1 4.22Å; L364-I368 HydrophobicContact CD1-CG1 3.93Å; L364-I368 HydrophobicContact CG-CG1 4.07Å; L364-I368 VanDerWaalsContact O-CG1 3.29Å; L364-I368 WeakPolarHBondContact O-CG1 3.42Å; L364-I368 PolarHBondContact O-N 3.35Å; L364-L396 HydrophobicContact CD1-CD2 4.12Å; L364-F426 HydrophobicContact CD2-CE1 3.97Å; L364-F426 HydrophobicContact CD2-CZ 3.83Å; L364-F426 HydrophobicContact CG-CE1 4.02Å; L364-F426 HydrophobicContact CG-CZ 3.91Å |
| 365 | N | 97.7 | Very high | 97.2 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -46 | 177 | -175.5 | 35.4 | 0 | 0 | 0 | 111 | Y361 E362 L367 I368 R369 Y422 F426 | Y361-N365 HydrophobicContact CE1-CB 4.38Å; Y361-N365 WeakPolarHBondContact O-CB 3.44Å; Y361-N365 PolarHBondContact O-N 3.11Å; E362-N365 PolarHBondContact O-N 3Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 3.1Å; N365-I368 PolarHBondContact O-N 2.85Å; N365-R369 VanDerWaalsContact O-CB 3.24Å; N365-R369 WeakPolarHBondContact O-CB 3.16Å; N365-R369 PolarHBondContact O-N 2.66Å; N365-Y422 VanDerWaalsContact OD1-CE2 3.29Å; N365-Y422 WeakPolarHBondContact OD1-CE2 3.37Å; N365-Y422 PolarHBondContact OD1-OH 2.96Å; N365-F426 HydrophobicContact CB-CD1 3.67Å; N365-F426 HydrophobicContact CB-CE1 4Å; N365-F426 WeakPolarHBondContact OD1-CB 3.34Å; N365-F426 WeakPolarHBondContact OD1-CD1 3.42Å |
| 366 | F | 96.7 | Very high | 97.3 | Very high | 25 Ų | 25 | 35 Ų | 35 | 11% | 0.11 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 177.2 | -169.2 | -105.3 | 0 | 0 | 0 | 112 | I254 F258 I262 E362 I363 L364 F370 | I254-F366 HydrophobicContact CD1-CB 4.06Å; I254-F366 HydrophobicContact CD1-CD1 4.18Å; I254-F366 HydrophobicContact CD1-CD2 3.61Å; I254-F366 HydrophobicContact CD1-CE2 4.03Å; I254-F366 HydrophobicContact CD1-CG 3.7Å; I254-F366 HydrophobicContact CD1-CZ 4.46Å; I254-F366 HydrophobicContact CG2-CD1 4.22Å; I254-F366 HydrophobicContact CG2-CE1 4.32Å; F258-F366 AromaticContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CD1 3.83Å; F258-F366 HydrophobicContact CD1-CE1 4.28Å; F258-F366 AromaticContact CE1-CD1 3.99Å; F258-F366 HydrophobicContact CE1-CD1 3.99Å; I262-F366 HydrophobicContact CB-CE1 4.15Å; I262-F366 HydrophobicContact CD1-CD1 3.61Å; I262-F366 HydrophobicContact CD1-CE1 3.53Å; I262-F366 HydrophobicContact CG1-CE1 4.4Å; I262-F366 HydrophobicContact CG2-CE1 4.03Å; I262-F366 HydrophobicContact CG2-CZ 4.3Å; E362-F366 WeakPolarHBondContact O-CB 3.45Å; E362-F366 PolarHBondContact O-N 3.35Å; I363-F366 PolarHBondContact O-N 3.5Å; L364-F366 VanDerWaalsContact C-N 3.33Å; L364-F366 PolarHBondContact O-N 3.33Å; F366-F370 PolarHBondContact O-N 3.23Å |
| 367 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -55 | 176.8 | 179.4 | 63.4 | 0 | 0 | 0 | 112.6 | F258 L313 L317 I363 L364 N365 R369 F370 L371 F392 L396 | F258-L367 HydrophobicContact CE1-CB 3.95Å; F258-L367 HydrophobicContact CE1-CD1 4.35Å; F258-L367 HydrophobicContact CZ-CB 3.82Å; F258-L367 HydrophobicContact CZ-CD1 3.89Å; F258-L367 HydrophobicContact CZ-CD2 4.22Å; F258-L367 HydrophobicContact CZ-CG 4.17Å; L313-L367 HydrophobicContact CD2-CD1 3.97Å; L317-L367 HydrophobicContact CD1-CD2 3.67Å; I363-L367 WeakPolarHBondContact O-CB 3.48Å; I363-L367 PolarHBondContact O-N 3.15Å; L364-L367 PolarHBondContact O-N 2.93Å; N365-L367 VanDerWaalsContact C-N 3.33Å; N365-L367 PolarHBondContact O-N 3.1Å; L367-R369 VanDerWaalsContact C-N 3.27Å; L367-R369 PolarHBondContact O-N 3.27Å; L367-F370 CarbonylContact O-C 3.53Å; L367-F370 WeakPolarHBondContact O-CB 3.23Å; L367-F370 PolarHBondContact O-N 3.17Å; L367-L371 HydrophobicContact CD1-CD1 4.22Å; L367-L371 HydrophobicContact CD1-CD2 4.33Å; L367-L371 HydrophobicContact CD1-CG 4.06Å; L367-L371 HydrophobicContact CG-CD1 4.08Å; L367-L371 HydrophobicContact CG-CG 4.23Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.4Å; L367-F392 HydrophobicContact CD1-CE1 3.93Å; L367-F392 HydrophobicContact CD1-CZ 4.36Å; L367-F392 HydrophobicContact CD2-CD1 4.29Å; L367-F392 HydrophobicContact CD2-CE1 4.31Å; L367-L396 HydrophobicContact CD2-CD2 3.64Å |
| 368 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.8 | -35 | -173.9 | -61.1 | -56.7 | 0 | 0 | 0 | 110.6 | L364 N365 F370 L371 T372 L418 I419 Y422 F426 | L364-I368 HydrophobicContact CD1-CD1 4.22Å; L364-I368 HydrophobicContact CD1-CG1 3.93Å; L364-I368 HydrophobicContact CG-CG1 4.07Å; L364-I368 VanDerWaalsContact O-CG1 3.29Å; L364-I368 WeakPolarHBondContact O-CG1 3.42Å; L364-I368 PolarHBondContact O-N 3.35Å; N365-I368 PolarHBondContact O-N 2.85Å; I368-F370 VanDerWaalsContact C-N 3.35Å; I368-F370 PolarHBondContact O-N 3.38Å; I368-L371 HydrophobicContact CD1-CD1 4.28Å; I368-L371 PolarHBondContact O-N 2.82Å; I368-T372 WeakPolarHBondContact O-CB 3.47Å; I368-T372 PolarHBondContact O-N 3.29Å; I368-T372 PolarHBondContact O-OG1 2.94Å; I368-L418 HydrophobicContact CD1-CB 4.12Å; I368-L418 HydrophobicContact CD1-CD1 4.39Å; I368-L418 HydrophobicContact CG1-CB 4.29Å; I368-L418 HydrophobicContact CG2-CB 4.24Å; I368-L418 WeakPolarHBondContact CG2-O 3.41Å; I368-I419 HydrophobicContact CD1-CG1 4.27Å; I368-I419 HydrophobicContact CG2-CG1 4.4Å; I368-Y422 HydrophobicContact CB-CD2 4.17Å; I368-Y422 HydrophobicContact CG2-CD2 3.68Å; I368-Y422 HydrophobicContact CG2-CG 4.4Å; I368-F426 HydrophobicContact CB-CE2 4.08Å; I368-F426 HydrophobicContact CB-CZ 4.12Å; I368-F426 HydrophobicContact CG1-CE2 4.17Å; I368-F426 HydrophobicContact CG1-CZ 3.87Å; I368-F426 HydrophobicContact CG2-CD2 4.49Å; I368-F426 HydrophobicContact CG2-CE2 3.89Å; I368-F426 HydrophobicContact CG2-CZ 4.42Å |
| 369 | R | 98 | Very high | 97.5 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 170.8 | -174.1 | 173 | 60.4 | 177.9 | 0.3 | 111.6 | N365 L367 T372 E373 Y422 | N365-R369 VanDerWaalsContact O-CB 3.24Å; N365-R369 WeakPolarHBondContact O-CB 3.16Å; N365-R369 PolarHBondContact O-N 2.66Å; L367-R369 VanDerWaalsContact C-N 3.27Å; L367-R369 PolarHBondContact O-N 3.27Å; R369-T372 WeakPolarHBondContact O-CB 3.28Å; R369-T372 PolarHBondContact O-N 3.36Å; R369-E373 PolarHBondContact O-N 2.97Å; R369-Y422 HydrophobicContact CB-CE1 4.32Å; R369-Y422 HydrophobicContact CB-CE2 3.66Å; R369-Y422 WeakPolarHBondContact CD-OH 3.01Å; R369-Y422 HydrophobicContact CG-CE1 4.17Å; R369-Y422 HydrophobicContact CG-CE2 4.39Å |
| 370 | F | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -39.2 | 177.9 | 166.4 | -105.4 | 0 | 0 | 0 | 112.5 | I262 L265 R266 L270 F276 L313 F366 L367 I368 T372 E373 V374 | I262-F370 HydrophobicContact CD1-CB 4.32Å; I262-F370 HydrophobicContact CD1-CD1 4.06Å; I262-F370 HydrophobicContact CD1-CG 4.3Å; I262-F370 HydrophobicContact CG1-CD1 3.83Å; I262-F370 HydrophobicContact CG1-CE1 4.13Å; I262-F370 HydrophobicContact CG1-CG 4.15Å; I262-F370 HydrophobicContact CG2-CB 4.14Å; I262-F370 HydrophobicContact CG2-CD1 4.32Å; I262-F370 HydrophobicContact CG2-CD2 3.79Å; I262-F370 HydrophobicContact CG2-CE2 4.31Å; I262-F370 HydrophobicContact CG2-CG 3.8Å; L265-F370 HydrophobicContact CB-CE2 4.17Å; L265-F370 HydrophobicContact CB-CZ 3.63Å; L265-F370 HydrophobicContact CD1-CE1 4.37Å; L265-F370 HydrophobicContact CD1-CZ 4.18Å; R266-F370 HydrophobicContact CG-CD2 3.98Å; R266-F370 HydrophobicContact CG-CE2 3.89Å; L270-F370 HydrophobicContact CD2-CE2 4.13Å; F276-F370 HydrophobicContact CE2-CE1 4.07Å; F276-F370 HydrophobicContact CE2-CZ 4.36Å; F276-F370 AromaticContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CE1 3.58Å; F276-F370 HydrophobicContact CZ-CZ 4.03Å; L313-F370 HydrophobicContact CD2-CE1 4.43Å; F366-F370 PolarHBondContact O-N 3.23Å; L367-F370 CarbonylContact O-C 3.53Å; L367-F370 WeakPolarHBondContact O-CB 3.23Å; L367-F370 PolarHBondContact O-N 3.17Å; I368-F370 VanDerWaalsContact C-N 3.35Å; I368-F370 PolarHBondContact O-N 3.38Å; F370-T372 VanDerWaalsContact C-N 3.29Å; F370-T372 PolarHBondContact O-N 3.45Å; F370-E373 VanDerWaalsContact O-CB 3.3Å; F370-E373 WeakPolarHBondContact O-CB 3.35Å; F370-E373 PolarHBondContact O-N 2.79Å; F370-E373 VanDerWaalsContact O-N 3.15Å; F370-V374 HydrophobicContact CD1-CG2 4.47Å; F370-V374 HydrophobicContact CD2-CG2 4.39Å; F370-V374 HydrophobicContact CE1-CG2 3.94Å; F370-V374 HydrophobicContact CE2-CG2 3.84Å; F370-V374 HydrophobicContact CZ-CG2 3.58Å; F370-V374 WeakPolarHBondContact O-CG2 3.23Å; F370-V374 PolarHBondContact O-N 3.29Å |
| 371 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -36.8 | 174.4 | -64.7 | -174.3 | 0 | 0 | 0 | 111.9 | F276 L367 I368 E373 V374 T375 L388 F392 I419 | F276-L371 HydrophobicContact CE2-CD2 4.25Å; F276-L371 HydrophobicContact CZ-CD2 4.48Å; L367-L371 HydrophobicContact CD1-CD1 4.22Å; L367-L371 HydrophobicContact CD1-CD2 4.33Å; L367-L371 HydrophobicContact CD1-CG 4.06Å; L367-L371 HydrophobicContact CG-CD1 4.08Å; L367-L371 HydrophobicContact CG-CG 4.23Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.4Å; I368-L371 HydrophobicContact CD1-CD1 4.28Å; I368-L371 PolarHBondContact O-N 2.82Å; L371-E373 VanDerWaalsContact C-N 3.32Å; L371-V374 WeakPolarHBondContact O-CB 3.3Å; L371-V374 PolarHBondContact O-N 3.33Å; L371-T375 WeakPolarHBondContact O-CG2 3.36Å; L371-T375 PolarHBondContact O-N 3.5Å; L371-T375 VanDerWaalsContact O-N 3.1Å; L371-L388 HydrophobicContact CB-CD1 4.29Å; L371-L388 HydrophobicContact CD2-CD2 4.44Å; L371-F392 HydrophobicContact CD1-CB 4.48Å; L371-F392 HydrophobicContact CD1-CD1 4.16Å; L371-F392 HydrophobicContact CD1-CD2 3.75Å; L371-F392 HydrophobicContact CD1-CE1 4.34Å; L371-F392 HydrophobicContact CD1-CE2 3.95Å; L371-F392 HydrophobicContact CD1-CG 3.87Å; L371-F392 HydrophobicContact CD1-CZ 4.24Å; L371-F392 HydrophobicContact CD2-CD2 4.06Å; L371-F392 HydrophobicContact CD2-CE1 4.46Å; L371-F392 HydrophobicContact CD2-CE2 3.43Å; L371-F392 VanDerWaalsContact CD2-CE2 3.43Å; L371-F392 HydrophobicContact CD2-CZ 3.67Å; L371-F392 HydrophobicContact CG-CE2 4.35Å; L371-I419 HydrophobicContact CB-CD1 4.28Å; L371-I419 HydrophobicContact CB-CG1 4.23Å; L371-I419 HydrophobicContact CD1-CD1 4.11Å; L371-I419 HydrophobicContact CD1-CG1 4.45Å |
| 372 | T | 98.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 48 Ų | 48 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 173 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | I368 R369 F370 T375 T376 I419 | I368-T372 WeakPolarHBondContact O-CB 3.47Å; I368-T372 PolarHBondContact O-N 3.29Å; I368-T372 PolarHBondContact O-OG1 2.94Å; R369-T372 WeakPolarHBondContact O-CB 3.28Å; R369-T372 PolarHBondContact O-N 3.36Å; F370-T372 VanDerWaalsContact C-N 3.29Å; F370-T372 PolarHBondContact O-N 3.45Å; T372-T375 PolarHBondContact O-N 3.05Å; T372-T375 PolarHBondContact O-OG1 3.39Å; T372-T376 PolarHBondContact O-N 3.47Å; T372-I419 PolarHBondContact OG1-O 3.25Å |
| 373 | E | 98.4 | Very high | 97.9 | Very high | 58 Ų | 58 | 44 Ų | 44 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 172.7 | -175.6 | -178.3 | -178.4 | 0 | 0 | 111.9 | R266 L270 R369 F370 L371 T375 T376 Y377 | R266-E373 IonicContact CZ-OE2 2.68Å; R266-E373 IonicContact NE-OE1 3.05Å; R266-E373 IonicContact NE-OE2 2.63Å; R266-E373 PolarHBondContact NE-OE2 3.21Å; R266-E373 IonicContact NH2-OE2 3.54Å; R266-E373 PolarHBondContact NH2-OE2 3.45Å; L270-E373 HydrophobicContact CD2-CG 4.33Å; R369-E373 PolarHBondContact O-N 2.97Å; F370-E373 VanDerWaalsContact O-CB 3.3Å; F370-E373 WeakPolarHBondContact O-CB 3.35Å; F370-E373 PolarHBondContact O-N 2.79Å; F370-E373 VanDerWaalsContact O-N 3.15Å; L371-E373 VanDerWaalsContact C-N 3.32Å; E373-T375 PolarHBondContact O-N 3.48Å; E373-T376 WeakPolarHBondContact O-CB 3.26Å; E373-T376 PolarHBondContact O-N 3.13Å; E373-T376 PolarHBondContact O-OG1 2.85Å; E373-Y377 WeakPolarHBondContact O-CD2 3.4Å |
| 374 | V | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.9 | -37.9 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | L270 I275 F276 F370 L371 T376 Y377 N381 M383 L388 | L270-V374 HydrophobicContact CD2-CG2 3.94Å; I275-V374 HydrophobicContact CG2-CG1 4.07Å; F276-V374 HydrophobicContact CE2-CG1 4.45Å; F276-V374 HydrophobicContact CE2-CG2 4.11Å; F370-V374 HydrophobicContact CD1-CG2 4.47Å; F370-V374 HydrophobicContact CD2-CG2 4.39Å; F370-V374 HydrophobicContact CE1-CG2 3.94Å; F370-V374 HydrophobicContact CE2-CG2 3.84Å; F370-V374 HydrophobicContact CZ-CG2 3.58Å; F370-V374 WeakPolarHBondContact O-CG2 3.23Å; F370-V374 PolarHBondContact O-N 3.29Å; L371-V374 WeakPolarHBondContact O-CB 3.3Å; L371-V374 PolarHBondContact O-N 3.33Å; V374-T376 PolarHBondContact O-N 3.23Å; V374-Y377 PolarHBondContact O-N 3.12Å; V374-Y377 VanDerWaalsContact O-N 3.13Å; V374-N381 PolarHBondContact O-ND2 3.45Å; V374-M383 HydrophobicContact CG1-CB 4.44Å; V374-L388 HydrophobicContact CB-CD1 4.24Å; V374-L388 HydrophobicContact CG1-CD1 4.06Å; V374-L388 HydrophobicContact CG1-CD2 4.3Å |
| 375 | T | 98.3 | Very high | 98 | Very high | 32 Ų | 32 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -23.5 | 177.9 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | L371 T372 E373 Y377 S378 A385 L388 I419 | L371-T375 WeakPolarHBondContact O-CG2 3.36Å; L371-T375 PolarHBondContact O-N 3.5Å; L371-T375 VanDerWaalsContact O-N 3.1Å; T372-T375 PolarHBondContact O-N 3.05Å; T372-T375 PolarHBondContact O-OG1 3.39Å; E373-T375 PolarHBondContact O-N 3.48Å; T375-Y377 PolarHBondContact O-N 3.43Å; T375-S378 VanDerWaalsContact O-CB 3.23Å; T375-S378 WeakPolarHBondContact O-CB 3.29Å; T375-S378 PolarHBondContact O-N 3.28Å; T375-S378 VanDerWaalsContact O-N 3.12Å; T375-S378 PolarHBondContact O-OG 2.84Å; T375-A385 HydrophobicContact CG2-CB 4.2Å; T375-L388 HydrophobicContact CG2-CD1 3.6Å; T375-I419 HydrophobicContact CG2-CG2 3.84Å |
| 376 | T | 98.2 | Very high | 98 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.6 | -18.9 | 176.6 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | T372 E373 V374 | T372-T376 PolarHBondContact O-N 3.47Å; E373-T376 WeakPolarHBondContact O-CB 3.26Å; E373-T376 PolarHBondContact O-N 3.13Å; E373-T376 PolarHBondContact O-OG1 2.85Å; V374-T376 PolarHBondContact O-N 3.23Å |
| 377 | Y | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 33% | 0.329 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 13.1 | 176.2 | -63.5 | -95.4 | 0 | 0 | 0 | 113.1 | L270 T271 E373 V374 T375 Q379 Q380 N381 | L270-Y377 HydrophobicContact CB-CD1 4.3Å; L270-Y377 HydrophobicContact CB-CD2 3.96Å; L270-Y377 HydrophobicContact CB-CE1 4.41Å; L270-Y377 HydrophobicContact CB-CE2 4.12Å; L270-Y377 HydrophobicContact CB-CG 4.07Å; L270-Y377 HydrophobicContact CD1-CD2 4.33Å; L270-Y377 HydrophobicContact CD1-CE2 3.73Å; L270-Y377 HydrophobicContact CD2-CD2 4.29Å; L270-Y377 HydrophobicContact CD2-CE2 4.39Å; L270-Y377 HydrophobicContact CG-CD2 4.42Å; L270-Y377 HydrophobicContact CG-CE2 4.3Å; L270-Y377 WeakPolarHBondContact O-CB 3.49Å; T271-Y377 HydrophobicContact CG2-CD1 3.76Å; T271-Y377 HydrophobicContact CG2-CE1 4.23Å; E373-Y377 WeakPolarHBondContact O-CD2 3.4Å; V374-Y377 PolarHBondContact O-N 3.12Å; V374-Y377 VanDerWaalsContact O-N 3.13Å; T375-Y377 PolarHBondContact O-N 3.43Å; Y377-Q379 PolarHBondContact O-N 2.98Å; Y377-Q380 PolarHBondContact O-N 2.96Å; Y377-N381 WeakPolarHBondContact CB-ND2 3.18Å; Y377-N381 PolarHBondContact O-N 3.48Å; Y377-N381 PolarHBondContact O-ND2 3.21Å; Y377-N381 PolarHBondContact O-OD1 3.35Å |
| 378 | S | 97.4 | Very high | 98 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.3 | -24.4 | -172.2 | 70.4 | 0 | 0 | 0 | 0 | 114.8 | T375 Q380 N381 K382 | T375-S378 VanDerWaalsContact O-CB 3.23Å; T375-S378 WeakPolarHBondContact O-CB 3.29Å; T375-S378 PolarHBondContact O-N 3.28Å; T375-S378 VanDerWaalsContact O-N 3.12Å; T375-S378 PolarHBondContact O-OG 2.84Å; S378-Q380 VanDerWaalsContact C-N 3.31Å; S378-Q380 PolarHBondContact O-N 3.29Å; S378-N381 VanDerWaalsContact CA-OD1 3.3Å; S378-N381 WeakPolarHBondContact CA-OD1 3.23Å; S378-K382 WeakPolarHBondContact O-CA 3.31Å; S378-K382 PolarHBondContact O-N 3.01Å |
| 379 | Q | 97.5 | Very high | 98 | Very high | 169 Ų | 169 | 49.6 Ų | 49.6 | 79% | 0.79 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.6 | -34.5 | 175.5 | -64.7 | -175.6 | 10.3 | 0 | 0 | 112.4 | Y377 K382 | Y377-Q379 PolarHBondContact O-N 2.98Å; Q379-K382 PolarHBondContact O-NZ 2.83Å |
| 380 | Q | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -91.4 | -56.8 | 179.5 | -64.3 | 177.1 | 59.5 | 0 | 0 | 110.6 | Y377 S378 K382 | Y377-Q380 PolarHBondContact O-N 2.96Å; S378-Q380 VanDerWaalsContact C-N 3.31Å; S378-Q380 PolarHBondContact O-N 3.29Å; Q380-K382 VanDerWaalsContact C-N 3.31Å; Q380-K382 PolarHBondContact O-N 3.47Å |
| 381 | N | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -77.8 | -11.9 | -173.8 | 70.4 | 30.8 | 0 | 0 | 0 | 114.3 | L270 T272 G274 I275 V374 Y377 S378 M383 | L270-N381 WeakPolarHBondContact O-CB 3.43Å; L270-N381 PolarHBondContact O-ND2 2.88Å; T272-N381 VanDerWaalsContact O-CB 3.26Å; T272-N381 WeakPolarHBondContact O-CB 3.4Å; G274-N381 PolarHBondContact N-O 3.05Å; I275-N381 HydrophobicContact CG2-CB 4.13Å; V374-N381 PolarHBondContact O-ND2 3.45Å; Y377-N381 WeakPolarHBondContact CB-ND2 3.18Å; Y377-N381 PolarHBondContact O-N 3.48Å; Y377-N381 PolarHBondContact O-ND2 3.21Å; Y377-N381 PolarHBondContact O-OD1 3.35Å; S378-N381 VanDerWaalsContact CA-OD1 3.3Å; S378-N381 WeakPolarHBondContact CA-OD1 3.23Å; N381-M383 VanDerWaalsContact C-N 3.26Å; N381-M383 PolarHBondContact O-N 3.31Å; N381-M383 WeakPolarHBondContact OD1-CA 3.46Å; N381-M383 WeakPolarHBondContact OD1-CB 3.41Å; N381-M383 PolarHBondContact OD1-N 2.99Å |
| 382 | K | 97.2 | Very high | 97.3 | Very high | 111 Ų | 111 | 49.3 Ų | 49.3 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | trans | 65 | 16.2 | -178.3 | -47.1 | -57.7 | -178.7 | -171.1 | 0 | 115.7 | E273 S378 Q379 Q380 N387 | E273-K382 HydrophobicContact CG-CG 3.95Å; S378-K382 WeakPolarHBondContact O-CA 3.31Å; S378-K382 PolarHBondContact O-N 3.01Å; Q379-K382 PolarHBondContact O-NZ 2.83Å; Q380-K382 VanDerWaalsContact C-N 3.31Å; Q380-K382 PolarHBondContact O-N 3.47Å; K382-N387 PolarHBondContact O-ND2 3.04Å | ||
| 383 | M | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | trans | -111.3 | 86.5 | -177.3 | -62 | -59.4 | -64.9 | 0 | 0 | 111.6 | I275 R277 V374 N381 N387 L388 V391 | I275-M383 HydrophobicContact CG2-CG 4.01Å; I275-M383 WeakPolarHBondContact O-CE 3.5Å; I275-M383 VanDerWaalsContact O-CG 3.23Å; I275-M383 WeakPolarHBondContact O-CG 3.47Å; R277-M383 HydrophobicContact CB-CE 4.2Å; R277-M383 HydrophobicContact CB-SD 3.9Å; V374-M383 HydrophobicContact CG1-CB 4.44Å; N381-M383 VanDerWaalsContact C-N 3.26Å; N381-M383 PolarHBondContact O-N 3.31Å; N381-M383 WeakPolarHBondContact OD1-CA 3.46Å; N381-M383 WeakPolarHBondContact OD1-CB 3.41Å; N381-M383 PolarHBondContact OD1-N 2.99Å; M383-N387 HydrophobicContact CE-CB 3.79Å; M383-N387 HydrophobicContact SD-CB 4.01Å; M383-L388 HydrophobicContact CB-CD2 3.97Å; M383-L388 HydrophobicContact CB-CG 4.09Å; M383-L388 HydrophobicContact CE-CD2 3.74Å; M383-L388 HydrophobicContact CE-CG 4.23Å; M383-V391 HydrophobicContact CE-CG2 4.14Å | ||
| 384 | N | 98.1 | Very high | 96.6 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | trans | -76.7 | 175.4 | 167.7 | 66.1 | 23.9 | 0 | 0 | 0 | 111.2 | A386 N387 L388 | N384-A386 VanDerWaalsContact C-N 3.28Å; N384-A386 PolarHBondContact O-N 3.49Å; N384-A386 PolarHBondContact OD1-N 2.93Å; N384-N387 PolarHBondContact O-N 3.02Å; N384-N387 WeakPolarHBondContact OD1-CB 3.3Å; N384-N387 VanDerWaalsContact OD1-CG 3.3Å; N384-N387 PolarHBondContact OD1-N 3.31Å; N384-L388 PolarHBondContact O-N 3.2Å | ||
| 385 | A | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.1 | -37.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T375 A389 Q416 I419 T420 | T375-A385 HydrophobicContact CG2-CB 4.2Å; A385-A389 VanDerWaalsContact O-CB 3.24Å; A385-A389 WeakPolarHBondContact O-CB 3.38Å; A385-A389 PolarHBondContact O-N 3.49Å; A385-Q416 HydrophobicContact CB-CG 4.19Å; A385-I419 HydrophobicContact CB-CB 4.22Å; A385-I419 HydrophobicContact CB-CG2 3.81Å; A385-T420 WeakPolarHBondContact CB-OG1 3.42Å |
| 386 | A | 97.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N384 L388 A389 V390 | N384-A386 VanDerWaalsContact C-N 3.28Å; N384-A386 PolarHBondContact O-N 3.49Å; N384-A386 PolarHBondContact OD1-N 2.93Å; A386-L388 PolarHBondContact O-N 3.28Å; A386-A389 WeakPolarHBondContact O-CB 3.46Å; A386-A389 PolarHBondContact O-N 3.27Å; A386-V390 WeakPolarHBondContact O-CG2 3.3Å; A386-V390 PolarHBondContact O-N 2.85Å; A386-V390 VanDerWaalsContact O-N 3.13Å |
| 387 | N | 96.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 41 Ų | 41 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 178.1 | -70.5 | -10.8 | 0 | 0 | 0 | 111.8 | K382 M383 N384 | K382-N387 PolarHBondContact O-ND2 3.04Å; M383-N387 HydrophobicContact CE-CB 3.79Å; M383-N387 HydrophobicContact SD-CB 4.01Å; N384-N387 PolarHBondContact O-N 3.02Å; N384-N387 WeakPolarHBondContact OD1-CB 3.3Å; N384-N387 VanDerWaalsContact OD1-CG 3.3Å; N384-N387 PolarHBondContact OD1-N 3.31Å |
| 388 | L | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 175.2 | -71.1 | 173.9 | 0 | 0 | 0 | 111.4 | F276 L371 V374 T375 M383 N384 A386 V390 V391 F392 I419 | F276-L388 HydrophobicContact CB-CD2 4.36Å; F276-L388 HydrophobicContact CD2-CD2 3.7Å; F276-L388 HydrophobicContact CG-CD2 4.34Å; L371-L388 HydrophobicContact CB-CD1 4.29Å; L371-L388 HydrophobicContact CD2-CD2 4.44Å; V374-L388 HydrophobicContact CB-CD1 4.24Å; V374-L388 HydrophobicContact CG1-CD1 4.06Å; V374-L388 HydrophobicContact CG1-CD2 4.3Å; T375-L388 HydrophobicContact CG2-CD1 3.6Å; M383-L388 HydrophobicContact CB-CD2 3.97Å; M383-L388 HydrophobicContact CB-CG 4.09Å; M383-L388 HydrophobicContact CE-CD2 3.74Å; M383-L388 HydrophobicContact CE-CG 4.23Å; N384-L388 PolarHBondContact O-N 3.2Å; A386-L388 PolarHBondContact O-N 3.28Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 PolarHBondContact O-N 2.93Å; L388-V391 WeakPolarHBondContact O-CG2 3.46Å; L388-V391 PolarHBondContact O-N 3.25Å; L388-F392 HydrophobicContact CD2-CE2 4.39Å; L388-F392 WeakPolarHBondContact O-CB 3.26Å; L388-F392 PolarHBondContact O-N 3.08Å; L388-I419 HydrophobicContact CB-CD1 3.85Å |
| 389 | A | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A385 A386 V391 F392 G393 N412 T415 Q416 | A385-A389 VanDerWaalsContact O-CB 3.24Å; A385-A389 WeakPolarHBondContact O-CB 3.38Å; A385-A389 PolarHBondContact O-N 3.49Å; A386-A389 WeakPolarHBondContact O-CB 3.46Å; A386-A389 PolarHBondContact O-N 3.27Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.22Å; A389-F392 PolarHBondContact O-N 3.2Å; A389-G393 WeakPolarHBondContact O-CA 3.23Å; A389-G393 PolarHBondContact O-N 3.19Å; A389-N412 VanDerWaalsContact CB-O 3.32Å; A389-N412 WeakPolarHBondContact CB-O 3.24Å; A389-N412 PolarHBondContact O-OD1 3.33Å; A389-T415 HydrophobicContact CB-CG2 4.04Å; A389-Q416 HydrophobicContact CB-CB 3.69Å |
| 390 | V | 92.7 | Very high | 93.3 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 52% | 0.515 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.1 | -36.9 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | A386 L388 | A386-V390 WeakPolarHBondContact O-CG2 3.3Å; A386-V390 PolarHBondContact O-N 2.85Å; A386-V390 VanDerWaalsContact O-N 3.13Å; L388-V390 VanDerWaalsContact C-N 3.34Å; L388-V390 PolarHBondContact O-N 2.93Å |
| 391 | V | 92.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -88.5 | -24.1 | -177.6 | -60 | 0 | 0 | 0 | 0 | 113.7 | F276 M383 L388 A389 | F276-V391 HydrophobicContact CB-CG2 3.85Å; M383-V391 HydrophobicContact CE-CG2 4.14Å; L388-V391 WeakPolarHBondContact O-CG2 3.46Å; L388-V391 PolarHBondContact O-N 3.25Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.22Å |
| 392 | F | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -96.1 | -33.1 | 179.4 | -86.8 | -83.6 | 0 | 0 | 0 | 113.9 | F276 L313 K314 L317 L367 L371 L388 A389 S395 L396 T415 | F276-F392 HydrophobicContact CB-CE2 3.96Å; F276-F392 AromaticContact CD1-CE2 3.49Å; F276-F392 HydrophobicContact CD1-CE2 3.49Å; F276-F392 VanDerWaalsContact CD1-CE2 3.49Å; F276-F392 AromaticContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD1-CZ 3.42Å; F276-F392 VanDerWaalsContact CD1-CZ 3.42Å; F276-F392 HydrophobicContact CD2-CE2 4.01Å; F276-F392 HydrophobicContact CE1-CE2 4.02Å; F276-F392 AromaticContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE1-CZ 3.6Å; F276-F392 HydrophobicContact CE2-CE2 4.47Å; F276-F392 AromaticContact CG-CE2 3.52Å; F276-F392 HydrophobicContact CG-CE2 3.52Å; F276-F392 AromaticContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CG-CZ 3.97Å; F276-F392 HydrophobicContact CZ-CE2 4.49Å; F276-F392 HydrophobicContact CZ-CZ 4.27Å; L313-F392 HydrophobicContact CD2-CZ 4.43Å; K314-F392 HydrophobicContact CG-CD1 4.32Å; K314-F392 HydrophobicContact CG-CE1 3.83Å; K314-F392 HydrophobicContact CG-CE2 4.44Å; K314-F392 HydrophobicContact CG-CZ 3.89Å; L317-F392 HydrophobicContact CD1-CD1 4.02Å; L317-F392 HydrophobicContact CD1-CE1 3.92Å; L367-F392 HydrophobicContact CD1-CE1 3.93Å; L367-F392 HydrophobicContact CD1-CZ 4.36Å; L367-F392 HydrophobicContact CD2-CD1 4.29Å; L367-F392 HydrophobicContact CD2-CE1 4.31Å; L371-F392 HydrophobicContact CD1-CB 4.48Å; L371-F392 HydrophobicContact CD1-CD1 4.16Å; L371-F392 HydrophobicContact CD1-CD2 3.75Å; L371-F392 HydrophobicContact CD1-CE1 4.34Å; L371-F392 HydrophobicContact CD1-CE2 3.95Å; L371-F392 HydrophobicContact CD1-CG 3.87Å; L371-F392 HydrophobicContact CD1-CZ 4.24Å; L371-F392 HydrophobicContact CD2-CD2 4.06Å; L371-F392 HydrophobicContact CD2-CE1 4.46Å; L371-F392 HydrophobicContact CD2-CE2 3.43Å; L371-F392 VanDerWaalsContact CD2-CE2 3.43Å; L371-F392 HydrophobicContact CD2-CZ 3.67Å; L371-F392 HydrophobicContact CG-CE2 4.35Å; L388-F392 HydrophobicContact CD2-CE2 4.39Å; L388-F392 WeakPolarHBondContact O-CB 3.26Å; L388-F392 PolarHBondContact O-N 3.08Å; A389-F392 PolarHBondContact O-N 3.2Å; F392-S395 CarbonylContact O-C 3.51Å; F392-S395 WeakPolarHBondContact O-CA 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.18Å; F392-S395 PolarHBondContact O-N 3.19Å; F392-L396 HydrophobicContact CB-CD1 4.3Å; F392-L396 HydrophobicContact CB-CG 4.49Å; F392-L396 WeakPolarHBondContact O-CG 3.47Å; F392-L396 PolarHBondContact O-N 2.87Å; F392-T415 HydrophobicContact CB-CG2 4.25Å |
| 393 | G | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -48 | -53.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A389 S395 L396 I397 I411 T415 | A389-G393 WeakPolarHBondContact O-CA 3.23Å; A389-G393 PolarHBondContact O-N 3.19Å; G393-S395 PolarHBondContact O-N 3.3Å; G393-S395 VanDerWaalsContact O-N 3.15Å; G393-L396 PolarHBondContact O-N 3.32Å; G393-L396 VanDerWaalsContact O-N 3.11Å; G393-I397 PolarHBondContact O-N 2.94Å; G393-I411 WeakPolarHBondContact O-CG2 3.34Å; G393-T415 WeakPolarHBondContact CA-OG1 3.38Å |
| 394 | P | 89.2 | Confident | 86.1 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 29% | 0.292 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.8 | -16.9 | 177.4 | -23.5 | 34.5 | 0 | 0 | 0 | 115.4 | ||
| 395 | S | 91.6 | Very high | 84.6 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -95.9 | -15.7 | 176.8 | -52.6 | 0 | 0 | 0 | 0 | 112.5 | L317 F392 G393 W398 | L317-S395 CarbonylContact C-O 3.6Å; L317-S395 WeakPolarHBondContact CB-O 3.49Å; F392-S395 CarbonylContact O-C 3.51Å; F392-S395 WeakPolarHBondContact O-CA 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.18Å; F392-S395 PolarHBondContact O-N 3.19Å; G393-S395 PolarHBondContact O-N 3.3Å; G393-S395 VanDerWaalsContact O-N 3.15Å; S395-W398 WeakPolarHBondContact O-CZ3 3.41Å |
| 396 | L | 95.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -89.9 | -33 | 177.1 | -68.1 | 176.4 | 0 | 0 | 0 | 112.4 | L317 P323 L324 L325 L364 L367 F392 G393 T415 | L317-L396 HydrophobicContact CD1-CD2 4.16Å; P323-L396 WeakPolarHBondContact CB-O 3.14Å; L324-L396 HydrophobicContact CD2-CD2 3.99Å; L324-L396 PolarHBondContact N-O 2.91Å; L325-L396 HydrophobicContact CD1-CB 3.9Å; L325-L396 HydrophobicContact CG-CB 4.32Å; L325-L396 PolarHBondContact N-O 3.4Å; L364-L396 HydrophobicContact CD1-CD2 4.12Å; L367-L396 HydrophobicContact CD2-CD2 3.64Å; F392-L396 HydrophobicContact CB-CD1 4.3Å; F392-L396 HydrophobicContact CB-CG 4.49Å; F392-L396 WeakPolarHBondContact O-CG 3.47Å; F392-L396 PolarHBondContact O-N 2.87Å; G393-L396 PolarHBondContact O-N 3.32Å; G393-L396 VanDerWaalsContact O-N 3.11Å; L396-T415 HydrophobicContact CD1-CG2 3.63Å |
| 397 | I | 93.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -150.2 | 140.2 | -177.5 | -164.3 | 164.2 | 0 | 0 | 0 | 113.3 | P323 L325 Y330 I333 G393 I411 | P323-I397 HydrophobicContact CB-CG1 4.45Å; L325-I397 HydrophobicContact CB-CB 4.07Å; L325-I397 HydrophobicContact CB-CD1 3.93Å; L325-I397 HydrophobicContact CB-CG1 4.28Å; L325-I397 HydrophobicContact CD1-CB 4.08Å; L325-I397 HydrophobicContact CD1-CG2 4.28Å; Y330-I397 HydrophobicContact CD2-CD1 3.87Å; Y330-I397 HydrophobicContact CD2-CG1 3.69Å; Y330-I397 HydrophobicContact CE2-CG1 4.31Å; Y330-I397 HydrophobicContact CG-CD1 4.47Å; I333-I397 HydrophobicContact CD1-CD1 3.4Å; I333-I397 VanDerWaalsContact CD1-CD1 3.4Å; G393-I397 PolarHBondContact O-N 2.94Å; I397-I411 HydrophobicContact CG2-CB 4.23Å; I397-I411 HydrophobicContact CG2-CD1 3.97Å; I397-I411 HydrophobicContact CG2-CG1 3.76Å; I397-I411 HydrophobicContact CG2-CG2 3.48Å; I397-I411 VanDerWaalsContact CG2-CG2 3.48Å | ||
| 398 | W | 85.2 | Confident | 82.4 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | trans | -148.7 | 157.6 | 173 | 57.6 | 89.4 | 0 | 0 | 0 | 110.3 | L317 L320 P323 F327 Y330 S395 | L317-W398 VanDerWaalsContact O-CH2 3.31Å; L317-W398 WeakPolarHBondContact O-CH2 3.46Å; L320-W398 HydrophobicContact CB-CH2 4.47Å; P323-W398 HydrophobicContact CB-CD2 3.81Å; P323-W398 HydrophobicContact CB-CE3 3.63Å; P323-W398 HydrophobicContact CB-CH2 3.85Å; P323-W398 HydrophobicContact CB-CZ2 4Å; P323-W398 HydrophobicContact CB-CZ3 3.64Å; P323-W398 VanDerWaalsContact CD-CE2 3.47Å; P323-W398 HydrophobicContact CG-CD2 3.55Å; P323-W398 HydrophobicContact CG-CE3 3.94Å; P323-W398 HydrophobicContact CG-CG 3.95Å; P323-W398 HydrophobicContact CG-CH2 4.27Å; P323-W398 HydrophobicContact CG-CZ2 3.9Å; P323-W398 HydrophobicContact CG-CZ3 4.27Å; P323-W398 VanDerWaalsContact N-CZ2 3.3Å; F327-W398 WeakPolarHBondContact CD1-O 3.48Å; F327-W398 AromaticContact CE1-CD1 3.74Å; F327-W398 AromaticContact CE1-NE1 3.71Å; F327-W398 WeakPolarHBondContact CE1-O 3.43Å; F327-W398 AromaticContact CZ-NE1 3.71Å; Y330-W398 VanDerWaalsContact CE2-C 3.47Å; S395-W398 WeakPolarHBondContact O-CZ3 3.41Å | ||
| 399 | S | 79.8 | Confident | 81.9 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -80.6 | 153.4 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | Y330 N401 | Y330-S399 VanDerWaalsContact CE2-N 3.3Å; S399-N401 WeakPolarHBondContact CB-O 3.49Å; S399-N401 PolarHBondContact O-N 3.35Å; S399-N401 PolarHBondContact OG-N 2.94Å; S399-N401 VanDerWaalsContact OG-N 3.08Å | ||
| 400 | R | 73.7 | Confident | 81.7 | Confident | 171 Ų | 171 | 51.2 Ų | 51.2 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.2 | -23.8 | 164.7 | -64.3 | -173.1 | -175 | -134.5 | 4.1 | 112 | F327 | F327-R400 HydrophobicContact CB-CG 4.41Å; F327-R400 HydrophobicContact CD1-CG 3.49Å; F327-R400 VanDerWaalsContact CD1-CG 3.49Å; F327-R400 HydrophobicContact CD2-CG 3.95Å; F327-R400 VanDerWaalsContact CD2-CZ 3.47Å; F327-R400 VanDerWaalsContact CD2-NH2 3.31Å; F327-R400 HydrophobicContact CE1-CB 4.48Å; F327-R400 HydrophobicContact CE1-CG 3.53Å; F327-R400 HydrophobicContact CE2-CG 3.97Å; F327-R400 HydrophobicContact CG-CG 3.7Å; F327-R400 HydrophobicContact CZ-CG 3.76Å |
| 401 | N | 68.5 | Low | 81.8 | Confident | 122 Ų | 122 | 47.4 Ų | 47.4 | 65% | 0.652 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -111.1 | -173.4 | -178.1 | -61 | -30.2 | 0 | 0 | 0 | 110.5 | S399 A403 | S399-N401 WeakPolarHBondContact CB-O 3.49Å; S399-N401 PolarHBondContact O-N 3.35Å; S399-N401 PolarHBondContact OG-N 2.94Å; S399-N401 VanDerWaalsContact OG-N 3.08Å; N401-A403 PolarHBondContact O-N 3.01Å |
| 402 | Q | 54.8 | Low | 81.8 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 51% | 0.505 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -61 | 128 | 170.7 | -53.2 | -172.7 | -36 | 0 | 0 | 109.9 | D34 | D34-Q402 HydrophobicContact CB-CB 3.82Å; D34-Q402 HydrophobicContact CB-CG 3.51Å; D34-Q402 PolarHBondContact OD2-NE2 2.78Å |
| 403 | A | 59.2 | Low | 81.8 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 138.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y330 N401 A407 | Y330-A403 WeakPolarHBondContact OH-CB 3.47Å; N401-A403 PolarHBondContact O-N 3.01Å; A403-A407 HydrophobicContact CB-CB 4.45Å |
| 404 | S | 57.6 | Low | 82 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 44% | 0.441 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 154.4 | 170.6 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | T406 A407 | S404-T406 PolarHBondContact O-N 2.77Å; S404-T406 PolarHBondContact OG-OG1 3.09Å; S404-A407 VanDerWaalsContact O-CB 3.26Å; S404-A407 WeakPolarHBondContact O-CB 3.48Å; S404-A407 PolarHBondContact O-N 2.88Å; S404-A407 PolarHBondContact OG-N 2.9Å |
| 405 | L | 65.6 | Low | 82.4 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.5 | -37.4 | 172.8 | -68.4 | 172.8 | 0 | 0 | 0 | 111.7 | S30 A407 I408 | S30-L405 VanDerWaalsContact O-CD2 3.23Å; S30-L405 WeakPolarHBondContact O-CD2 3.11Å; L405-A407 PolarHBondContact O-N 3.08Å; L405-I408 WeakPolarHBondContact O-CB 3.35Å; L405-I408 PolarHBondContact O-N 3.03Å; L405-I408 VanDerWaalsContact O-N 3.14Å |
| 406 | T | 74.3 | Confident | 82.8 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 61% | 0.607 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.2 | -26.4 | 176.7 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | S404 I408 V410 | S404-T406 PolarHBondContact O-N 2.77Å; S404-T406 PolarHBondContact OG-OG1 3.09Å; T406-I408 VanDerWaalsContact C-N 3.3Å; T406-I408 PolarHBondContact O-N 3.25Å; T406-V410 WeakPolarHBondContact O-CG2 3.43Å |
| 407 | A | 84.4 | Confident | 82.9 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -33.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L334 A403 S404 L405 V410 I411 | L334-A407 HydrophobicContact CD1-CB 4.14Å; L334-A407 HydrophobicContact CD2-CB 3.77Å; A403-A407 HydrophobicContact CB-CB 4.45Å; S404-A407 VanDerWaalsContact O-CB 3.26Å; S404-A407 WeakPolarHBondContact O-CB 3.48Å; S404-A407 PolarHBondContact O-N 2.88Å; S404-A407 PolarHBondContact OG-N 2.9Å; L405-A407 PolarHBondContact O-N 3.08Å; A407-V410 PolarHBondContact O-N 3.38Å; A407-I411 HydrophobicContact CB-CD1 4.46Å; A407-I411 WeakPolarHBondContact O-CB 3.42Å; A407-I411 WeakPolarHBondContact O-CD1 3.32Å; A407-I411 WeakPolarHBondContact O-CG1 3.47Å; A407-I411 PolarHBondContact O-N 3.01Å |
| 408 | I | 87.1 | Confident | 83.2 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | -177.5 | -63 | 171.5 | 0 | 0 | 0 | 110.5 | L405 T406 V410 I411 N412 | L405-I408 WeakPolarHBondContact O-CB 3.35Å; L405-I408 PolarHBondContact O-N 3.03Å; L405-I408 VanDerWaalsContact O-N 3.14Å; T406-I408 VanDerWaalsContact C-N 3.3Å; T406-I408 PolarHBondContact O-N 3.25Å; I408-V410 VanDerWaalsContact C-N 3.34Å; I408-V410 PolarHBondContact O-N 3.27Å; I408-I411 PolarHBondContact O-N 3.45Å; I408-N412 WeakPolarHBondContact O-CB 3.49Å; I408-N412 PolarHBondContact O-N 2.88Å; I408-N412 PolarHBondContact O-ND2 2.86Å; I408-N412 PolarHBondContact O-OD1 3.14Å |
| 409 | D | 88.9 | Confident | 83.8 | Confident | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63.3 | -41.1 | 178.9 | -65.5 | -33.1 | 0 | 0 | 0 | 111.8 | N412 A413 | D409-N412 PolarHBondContact O-N 3.08Å; D409-A413 WeakPolarHBondContact O-CB 3.05Å; D409-A413 PolarHBondContact O-N 3.1Å |
| 410 | V | 93.7 | Very high | 84.7 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -42 | 177.4 | -178 | 0 | 0 | 0 | 0 | 111.1 | I333 L334 T336 T406 A407 I408 A413 F414 | I333-V410 WeakPolarHBondContact O-CG1 3.44Å; L334-V410 HydrophobicContact CD2-CB 4.09Å; L334-V410 HydrophobicContact CD2-CG1 4.18Å; T336-V410 WeakPolarHBondContact OG1-CG1 3.47Å; T406-V410 WeakPolarHBondContact O-CG2 3.43Å; A407-V410 PolarHBondContact O-N 3.38Å; I408-V410 VanDerWaalsContact C-N 3.34Å; I408-V410 PolarHBondContact O-N 3.27Å; V410-A413 PolarHBondContact O-N 3.08Å; V410-F414 WeakPolarHBondContact O-CB 3.31Å; V410-F414 PolarHBondContact O-N 3.12Å |
| 411 | I | 93.6 | Very high | 85.8 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.3 | -72.4 | 163.6 | 0 | 0 | 0 | 111.1 | Y330 L334 G393 I397 A407 I408 F414 T415 | Y330-I411 HydrophobicContact CE2-CD1 4.1Å; L334-I411 HydrophobicContact CD2-CG1 4.39Å; G393-I411 WeakPolarHBondContact O-CG2 3.34Å; I397-I411 HydrophobicContact CG2-CB 4.23Å; I397-I411 HydrophobicContact CG2-CD1 3.97Å; I397-I411 HydrophobicContact CG2-CG1 3.76Å; I397-I411 HydrophobicContact CG2-CG2 3.48Å; I397-I411 VanDerWaalsContact CG2-CG2 3.48Å; A407-I411 HydrophobicContact CB-CD1 4.46Å; A407-I411 WeakPolarHBondContact O-CB 3.42Å; A407-I411 WeakPolarHBondContact O-CD1 3.32Å; A407-I411 WeakPolarHBondContact O-CG1 3.47Å; A407-I411 PolarHBondContact O-N 3.01Å; I408-I411 PolarHBondContact O-N 3.45Å; I411-F414 PolarHBondContact O-N 3.27Å; I411-T415 WeakPolarHBondContact O-CB 3.45Å; I411-T415 PolarHBondContact O-N 3.03Å; I411-T415 PolarHBondContact O-OG1 3.31Å |
| 412 | N | 93.8 | Very high | 87.2 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 177 | -67.9 | -14.2 | 0 | 0 | 0 | 110.2 | A389 I408 D409 F414 T415 Q416 | A389-N412 VanDerWaalsContact CB-O 3.32Å; A389-N412 WeakPolarHBondContact CB-O 3.24Å; A389-N412 PolarHBondContact O-OD1 3.33Å; I408-N412 WeakPolarHBondContact O-CB 3.49Å; I408-N412 PolarHBondContact O-N 2.88Å; I408-N412 PolarHBondContact O-ND2 2.86Å; I408-N412 PolarHBondContact O-OD1 3.14Å; D409-N412 PolarHBondContact O-N 3.08Å; N412-F414 VanDerWaalsContact C-N 3.34Å; N412-F414 PolarHBondContact O-N 3.22Å; N412-T415 PolarHBondContact O-N 3.08Å; N412-Q416 WeakPolarHBondContact O-CB 3.45Å; N412-Q416 PolarHBondContact O-N 3.02Å |
| 413 | A | 95.8 | Very high | 89.1 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D409 V410 Q416 I417 | D409-A413 WeakPolarHBondContact O-CB 3.05Å; D409-A413 PolarHBondContact O-N 3.1Å; V410-A413 PolarHBondContact O-N 3.08Å; A413-Q416 PolarHBondContact O-N 3.38Å; A413-I417 WeakPolarHBondContact O-CG1 3.46Å; A413-I417 PolarHBondContact O-N 2.86Å |
| 414 | F | 97.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 175.7 | -173.2 | -98.3 | 0 | 0 | 0 | 111.6 | L325 I333 T336 A348 L351 I352 V410 I411 N412 Q416 I417 L418 | L325-F414 HydrophobicContact CD1-CD1 4.38Å; L325-F414 HydrophobicContact CD1-CE1 4.19Å; I333-F414 HydrophobicContact CD1-CD1 4.12Å; I333-F414 HydrophobicContact CD1-CE1 3.78Å; I333-F414 HydrophobicContact CD1-CZ 4.17Å; I333-F414 HydrophobicContact CG1-CD1 4.1Å; I333-F414 HydrophobicContact CG1-CD2 4.27Å; I333-F414 HydrophobicContact CG1-CE1 3.83Å; I333-F414 HydrophobicContact CG1-CE2 4.01Å; I333-F414 HydrophobicContact CG1-CG 4.31Å; I333-F414 HydrophobicContact CG1-CZ 3.79Å; I333-F414 HydrophobicContact CG2-CB 3.87Å; I333-F414 HydrophobicContact CG2-CD1 4Å; I333-F414 HydrophobicContact CG2-CD2 4.08Å; I333-F414 HydrophobicContact CG2-CG 3.72Å; T336-F414 HydrophobicContact CG2-CD2 3.99Å; T336-F414 HydrophobicContact CG2-CE2 4.26Å; A348-F414 HydrophobicContact CB-CD2 4.39Å; A348-F414 HydrophobicContact CB-CE2 3.61Å; A348-F414 HydrophobicContact CB-CZ 4.04Å; L351-F414 HydrophobicContact CD1-CE2 4.26Å; L351-F414 HydrophobicContact CD1-CZ 4.33Å; I352-F414 HydrophobicContact CD1-CZ 4.49Å; V410-F414 WeakPolarHBondContact O-CB 3.31Å; V410-F414 PolarHBondContact O-N 3.12Å; I411-F414 PolarHBondContact O-N 3.27Å; N412-F414 VanDerWaalsContact C-N 3.34Å; N412-F414 PolarHBondContact O-N 3.22Å; F414-Q416 VanDerWaalsContact C-N 3.31Å; F414-Q416 PolarHBondContact O-N 2.79Å; F414-I417 WeakPolarHBondContact O-CB 3.47Å; F414-I417 PolarHBondContact O-N 3.22Å; F414-I417 VanDerWaalsContact O-N 3.13Å; F414-L418 HydrophobicContact CD1-CD1 4.14Å; F414-L418 HydrophobicContact CD1-CG 4.29Å; F414-L418 HydrophobicContact CE1-CD1 3.85Å; F414-L418 HydrophobicContact CE1-CD2 4.09Å; F414-L418 HydrophobicContact CE1-CG 4.08Å; F414-L418 HydrophobicContact CZ-CD2 4.24Å; F414-L418 WeakPolarHBondContact O-CG 3.11Å; F414-L418 PolarHBondContact O-N 3.31Å |
| 415 | T | 98 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | A389 F392 G393 L396 I411 N412 I417 L418 I419 | A389-T415 HydrophobicContact CB-CG2 4.04Å; F392-T415 HydrophobicContact CB-CG2 4.25Å; G393-T415 WeakPolarHBondContact CA-OG1 3.38Å; L396-T415 HydrophobicContact CD1-CG2 3.63Å; I411-T415 WeakPolarHBondContact O-CB 3.45Å; I411-T415 PolarHBondContact O-N 3.03Å; I411-T415 PolarHBondContact O-OG1 3.31Å; N412-T415 PolarHBondContact O-N 3.08Å; T415-I417 VanDerWaalsContact C-N 3.33Å; T415-I417 PolarHBondContact O-N 3.31Å; T415-L418 PolarHBondContact O-N 2.82Å; T415-I419 HydrophobicContact CG2-CD1 4.34Å; T415-I419 WeakPolarHBondContact O-CG1 3.45Å; T415-I419 PolarHBondContact O-N 2.87Å |
| 416 | Q | 98.4 | Very high | 94.2 | Very high | 77 Ų | 77 | 39.9 Ų | 39.9 | 36% | 0.36 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 174.8 | -175.4 | 179.7 | -3.4 | 0 | 0 | 111.3 | A385 A389 N412 A413 F414 L418 I419 T420 | A385-Q416 HydrophobicContact CB-CG 4.19Å; A389-Q416 HydrophobicContact CB-CB 3.69Å; N412-Q416 WeakPolarHBondContact O-CB 3.45Å; N412-Q416 PolarHBondContact O-N 3.02Å; A413-Q416 PolarHBondContact O-N 3.38Å; F414-Q416 VanDerWaalsContact C-N 3.31Å; F414-Q416 PolarHBondContact O-N 2.79Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 2.95Å; Q416-I419 PolarHBondContact O-N 3.45Å; Q416-T420 WeakPolarHBondContact O-CB 3.22Å; Q416-T420 PolarHBondContact O-N 3.46Å; Q416-T420 PolarHBondContact O-OG1 3.06Å; Q416-T420 VanDerWaalsContact O-OG1 3.13Å |
| 417 | I | 98.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -43 | 176.8 | -73.2 | 170 | 0 | 0 | 0 | 111.4 | K344 V345 A348 A413 F414 T415 I419 T420 H421 I425 | K344-I417 HydrophobicContact CB-CD1 3.67Å; K344-I417 HydrophobicContact CD-CD1 3.98Å; K344-I417 HydrophobicContact CG-CD1 4.38Å; V345-I417 HydrophobicContact CG2-CG2 4.07Å; A348-I417 HydrophobicContact CB-CG2 4.12Å; A413-I417 WeakPolarHBondContact O-CG1 3.46Å; A413-I417 PolarHBondContact O-N 2.86Å; F414-I417 WeakPolarHBondContact O-CB 3.47Å; F414-I417 PolarHBondContact O-N 3.22Å; F414-I417 VanDerWaalsContact O-N 3.13Å; T415-I417 VanDerWaalsContact C-N 3.33Å; T415-I417 PolarHBondContact O-N 3.31Å; I417-I419 VanDerWaalsContact C-N 3.29Å; I417-I419 PolarHBondContact O-N 2.66Å; I417-T420 PolarHBondContact O-N 3.06Å; I417-H421 WeakPolarHBondContact O-CB 3.39Å; I417-H421 PolarHBondContact O-N 2.65Å; I417-I425 HydrophobicContact CG2-CD1 3.77Å |
| 418 | L | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 176.6 | -63 | -178.5 | 0 | 0 | 0 | 111.6 | A348 I352 I368 F414 T415 Q416 Y422 I425 F426 | A348-L418 HydrophobicContact CB-CD2 4.43Å; I352-L418 HydrophobicContact CD1-CD2 4.27Å; I352-L418 HydrophobicContact CG1-CD2 3.82Å; I368-L418 HydrophobicContact CD1-CB 4.12Å; I368-L418 HydrophobicContact CD1-CD1 4.39Å; I368-L418 HydrophobicContact CG1-CB 4.29Å; I368-L418 HydrophobicContact CG2-CB 4.24Å; I368-L418 WeakPolarHBondContact CG2-O 3.41Å; F414-L418 HydrophobicContact CD1-CD1 4.14Å; F414-L418 HydrophobicContact CD1-CG 4.29Å; F414-L418 HydrophobicContact CE1-CD1 3.85Å; F414-L418 HydrophobicContact CE1-CD2 4.09Å; F414-L418 HydrophobicContact CE1-CG 4.08Å; F414-L418 HydrophobicContact CZ-CD2 4.24Å; F414-L418 WeakPolarHBondContact O-CG 3.11Å; F414-L418 PolarHBondContact O-N 3.31Å; T415-L418 PolarHBondContact O-N 2.82Å; Q416-L418 VanDerWaalsContact C-N 3.34Å; Q416-L418 PolarHBondContact O-N 2.95Å; L418-Y422 WeakPolarHBondContact O-CA 3.34Å; L418-Y422 PolarHBondContact O-N 3.41Å; L418-I425 HydrophobicContact CD2-CD1 4.14Å; L418-I425 HydrophobicContact CD2-CG2 4.09Å; L418-F426 HydrophobicContact CB-CE2 4.39Å; L418-F426 HydrophobicContact CD2-CE2 4.22Å; L418-F426 HydrophobicContact CD2-CZ 4.42Å |
| 419 | I | 98.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.4 | -50.3 | 179.9 | -60.5 | 167 | 0 | 0 | 0 | 110.7 | I368 L371 T372 T375 A385 L388 T415 Q416 I417 H421 | I368-I419 HydrophobicContact CD1-CG1 4.27Å; I368-I419 HydrophobicContact CG2-CG1 4.4Å; L371-I419 HydrophobicContact CB-CD1 4.28Å; L371-I419 HydrophobicContact CB-CG1 4.23Å; L371-I419 HydrophobicContact CD1-CD1 4.11Å; L371-I419 HydrophobicContact CD1-CG1 4.45Å; T372-I419 PolarHBondContact OG1-O 3.25Å; T375-I419 HydrophobicContact CG2-CG2 3.84Å; A385-I419 HydrophobicContact CB-CB 4.22Å; A385-I419 HydrophobicContact CB-CG2 3.81Å; L388-I419 HydrophobicContact CB-CD1 3.85Å; T415-I419 HydrophobicContact CG2-CD1 4.34Å; T415-I419 WeakPolarHBondContact O-CG1 3.45Å; T415-I419 PolarHBondContact O-N 2.87Å; Q416-I419 PolarHBondContact O-N 3.45Å; I417-I419 VanDerWaalsContact C-N 3.29Å; I417-I419 PolarHBondContact O-N 2.66Å; I419-H421 VanDerWaalsContact C-N 3.34Å; I419-H421 PolarHBondContact O-N 3.32Å |
| 420 | T | 98.1 | Very high | 94.5 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 48% | 0.479 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67 | -32.9 | -175.6 | -61.4 | 0 | 0 | 0 | 0 | 113 | A385 Q416 I417 | A385-T420 WeakPolarHBondContact CB-OG1 3.42Å; Q416-T420 WeakPolarHBondContact O-CB 3.22Å; Q416-T420 PolarHBondContact O-N 3.46Å; Q416-T420 PolarHBondContact O-OG1 3.06Å; Q416-T420 VanDerWaalsContact O-OG1 3.13Å; I417-T420 PolarHBondContact O-N 3.06Å |
| 421 | H | 97.6 | Very high | 94.6 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 30.1 | -176.9 | -61.5 | -71.6 | 0 | 0 | 0 | 112.9 | V345 I417 I419 E423 C424 I425 | V345-H421 HydrophobicContact CG1-CB 4.25Å; V345-H421 HydrophobicContact CG2-CB 4.48Å; I417-H421 WeakPolarHBondContact O-CB 3.39Å; I417-H421 PolarHBondContact O-N 2.65Å; I419-H421 VanDerWaalsContact C-N 3.34Å; I419-H421 PolarHBondContact O-N 3.32Å; H421-E423 PolarHBondContact O-N 3.3Å; H421-C424 HydrophobicContact CB-CB 4.29Å; H421-C424 WeakPolarHBondContact O-CB 3.43Å; H421-C424 PolarHBondContact O-N 3.11Å; H421-I425 HydrophobicContact CB-CD1 3.95Å; H421-I425 HydrophobicContact CB-CG1 4.31Å; H421-I425 PolarHBondContact O-N 3.16Å |
| 422 | Y | 98 | Very high | 94.7 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -46 | -55.4 | -177.7 | 168.6 | -100.7 | 0 | 0 | 0 | 112.8 | N365 I368 R369 L418 C424 I425 F426 | N365-Y422 VanDerWaalsContact OD1-CE2 3.29Å; N365-Y422 WeakPolarHBondContact OD1-CE2 3.37Å; N365-Y422 PolarHBondContact OD1-OH 2.96Å; I368-Y422 HydrophobicContact CB-CD2 4.17Å; I368-Y422 HydrophobicContact CG2-CD2 3.68Å; I368-Y422 HydrophobicContact CG2-CG 4.4Å; R369-Y422 HydrophobicContact CB-CE1 4.32Å; R369-Y422 HydrophobicContact CB-CE2 3.66Å; R369-Y422 WeakPolarHBondContact CD-OH 3.01Å; R369-Y422 HydrophobicContact CG-CE1 4.17Å; R369-Y422 HydrophobicContact CG-CE2 4.39Å; L418-Y422 WeakPolarHBondContact O-CA 3.34Å; L418-Y422 PolarHBondContact O-N 3.41Å; Y422-C424 PolarHBondContact O-N 3.15Å; Y422-I425 PolarHBondContact O-N 2.97Å; Y422-I425 VanDerWaalsContact O-N 3.16Å; Y422-F426 HydrophobicContact CD2-CB 4.15Å; Y422-F426 AromaticContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CE2 4.26Å; Y422-F426 HydrophobicContact CD2-CG 4Å; Y422-F426 HydrophobicContact CE2-CB 3.89Å; Y422-F426 HydrophobicContact CE2-CD2 4.05Å; Y422-F426 AromaticContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CG-CD2 4.49Å; Y422-F426 PolarHBondContact O-N 3.24Å |
| 423 | E | 95.5 | Very high | 94.7 | Very high | 136 Ų | 136 | 50.1 Ų | 50.1 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.4 | -31.8 | -179.1 | -63.5 | -61.5 | 159.6 | 0 | 0 | 113 | H421 T427 | H421-E423 PolarHBondContact O-N 3.3Å; E423-T427 VanDerWaalsContact O-CB 3.3Å; E423-T427 WeakPolarHBondContact O-CB 3.43Å; E423-T427 PolarHBondContact O-OG1 3.04Å |
| 424 | C | 94.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 51 Ų | 51 | 42% | 0.419 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -75.7 | -40 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | K349 H421 Y422 | K349-C424 WeakPolarHBondContact CD-O 3.23Å; K349-C424 WeakPolarHBondContact CE-O 3.21Å; K349-C424 PolarHBondContact NZ-O 3.09Å; H421-C424 HydrophobicContact CB-CB 4.29Å; H421-C424 WeakPolarHBondContact O-CB 3.43Å; H421-C424 PolarHBondContact O-N 3.11Å; Y422-C424 PolarHBondContact O-N 3.15Å |
| 425 | I | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -85.1 | -43.8 | -170.2 | -68.8 | 172.3 | 0 | 0 | 0 | 111.8 | V345 A348 K349 I352 I417 L418 H421 Y422 | V345-I425 HydrophobicContact CG1-CD1 4.46Å; V345-I425 HydrophobicContact CG1-CG1 4.24Å; A348-I425 HydrophobicContact CB-CD1 3.94Å; K349-I425 HydrophobicContact CB-CG1 4.38Å; I352-I425 HydrophobicContact CB-CG2 4.15Å; I352-I425 HydrophobicContact CG1-CG2 4.12Å; I352-I425 HydrophobicContact CG2-CG2 4.32Å; I417-I425 HydrophobicContact CG2-CD1 3.77Å; L418-I425 HydrophobicContact CD2-CD1 4.14Å; L418-I425 HydrophobicContact CD2-CG2 4.09Å; H421-I425 HydrophobicContact CB-CD1 3.95Å; H421-I425 HydrophobicContact CB-CG1 4.31Å; H421-I425 PolarHBondContact O-N 3.16Å; Y422-I425 PolarHBondContact O-N 2.97Å; Y422-I425 VanDerWaalsContact O-N 3.16Å |
| 426 | F | 96 | Very high | 94.1 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -94.9 | 0.8 | -171.6 | -70.5 | -92.2 | 0 | 0 | 0 | 114.3 | I352 Y361 L364 N365 I368 L418 Y422 K428 | I352-F426 HydrophobicContact CG2-CD1 4.06Å; I352-F426 HydrophobicContact CG2-CE1 3.62Å; I352-F426 HydrophobicContact CG2-CZ 3.96Å; Y361-F426 AromaticContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CD1 3.78Å; Y361-F426 HydrophobicContact CE2-CE1 4.28Å; Y361-F426 PolarHBondContact OH-O 3.13Å; L364-F426 HydrophobicContact CD2-CE1 3.97Å; L364-F426 HydrophobicContact CD2-CZ 3.83Å; L364-F426 HydrophobicContact CG-CE1 4.02Å; L364-F426 HydrophobicContact CG-CZ 3.91Å; N365-F426 HydrophobicContact CB-CD1 3.67Å; N365-F426 HydrophobicContact CB-CE1 4Å; N365-F426 WeakPolarHBondContact OD1-CB 3.34Å; N365-F426 WeakPolarHBondContact OD1-CD1 3.42Å; I368-F426 HydrophobicContact CB-CE2 4.08Å; I368-F426 HydrophobicContact CB-CZ 4.12Å; I368-F426 HydrophobicContact CG1-CE2 4.17Å; I368-F426 HydrophobicContact CG1-CZ 3.87Å; I368-F426 HydrophobicContact CG2-CD2 4.49Å; I368-F426 HydrophobicContact CG2-CE2 3.89Å; I368-F426 HydrophobicContact CG2-CZ 4.42Å; L418-F426 HydrophobicContact CB-CE2 4.39Å; L418-F426 HydrophobicContact CD2-CE2 4.22Å; L418-F426 HydrophobicContact CD2-CZ 4.42Å; Y422-F426 HydrophobicContact CD2-CB 4.15Å; Y422-F426 AromaticContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CD2 3.6Å; Y422-F426 HydrophobicContact CD2-CE2 4.26Å; Y422-F426 HydrophobicContact CD2-CG 4Å; Y422-F426 HydrophobicContact CE2-CB 3.89Å; Y422-F426 HydrophobicContact CE2-CD2 4.05Å; Y422-F426 AromaticContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CE2-CG 3.96Å; Y422-F426 HydrophobicContact CG-CD2 4.49Å; Y422-F426 PolarHBondContact O-N 3.24Å; F426-K428 PolarHBondContact O-N 3.27Å |
| 427 | T | 83.2 | Confident | 93.8 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | trans | -83.2 | 112.1 | 170.7 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | K349 E423 | K349-T427 PolarHBondContact NZ-O 2.67Å; E423-T427 VanDerWaalsContact O-CB 3.3Å; E423-T427 WeakPolarHBondContact O-CB 3.43Å; E423-T427 PolarHBondContact O-OG1 3.04Å | ||
| 428 | K | 70.2 | Confident | 93.4 | Very high | 192 Ų | 192 | 60 Ų | 60 | 84% | 0.835 | 30% | 0.304 | S | S | * | . | trans | -69 | 0 | 173.2 | -77 | -170.2 | 177.1 | -176 | 0 | 112 | L353 F426 | L353-K428 HydrophobicContact CD2-CG 4.06Å; F426-K428 PolarHBondContact O-N 3.27Å |
Retrieved 428 of 428 residues in 388 ms
(Link to these results)